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 1oy6_1_A DATA FIRST_RESID 7 DATA SEQUENCE DRPIFAWVIA IIIMLAGGLA ILKLPVAQYP TIAPPAVTIS ASYPGADAKT DATA SEQUENCE VQDTVTQVIE QNMNGIDNLM YMSSNSDSTG TVQITLTFES GTDADIAQVQ DATA SEQUENCE VQNKLQLAMP LLPQEVQQQG VSVEKSSSSF LMVVGVINTD GTMTQEDISD DATA SEQUENCE YVAANMKDAI SRTSGVGDVQ LFGSQYAMRI WMNPNELNKF QLTPVDVITA DATA SEQUENCE IKAQNAQVAA GQLGGTPPVK GQQLNASIIA QTRLTSTEEF GKILLKVNQD DATA SEQUENCE GSRVLLRDVA KIELGGENYD IIAEFNGQPA SGLGIKLATG ANALDTAAAI DATA SEQUENCE RAELAKMEPF FPSGLKIVYP YDTTPFVKIS IHEVVKTLVE AIILVFLVMY DATA SEQUENCE LFLQNFRATL IPTIAVPVVL LGTFAVLAAF GFSINTLTMF GMVLAIGLLV DATA SEQUENCE DDAIVVVENV ERVMAEEGLP PKEATRKSMG QIQGALVGIA MVLSAVFVPM DATA SEQUENCE AFFGGSTGAI YRQFSITIVS AMALSVLVAL ILTPALCATM LKXXXXXXXX DATA SEQUENCE XXXXXXFGWF NRMFEKSTHH YTDSVGGILR STGRYLVLYL IIVVGMAYLF DATA SEQUENCE VRLPSSFLPD EDQGVFMTMV QLPAGATQER TQKVLNEVTH YYLTKEKNNV DATA SEQUENCE ESVFAVNGFG FAGRGQNTGI AFVSLKDWAD RPGEENKVEA ITMRATRAFS DATA SEQUENCE QIKDAMVFAF NLPAIVELGT ATGFDFELID QAGLGHEKLT QARNQLLAEA DATA SEQUENCE AKHPXMLTSV RPNGLEDTPQ FKIDIDQEKA QALGVSINDI NTTLGAAWGG DATA SEQUENCE SYVNDFIDRG RVKKVYVMSE AKYRMLPDDI GDWYVRAADG QMVPFSAFSS DATA SEQUENCE SRWEYGSPRL ERYNGLPSME ILGQAAPGKS TGEAMELMEQ LASKLPTGVG DATA SEQUENCE YDWXXXXXXX XXSGNQAPSL YAISLIVVFL CLAALYESWS IPFSVMLVVP DATA SEQUENCE LGVIGALLAA TFRGLTNDVY FQVGLLTTIG LSAKNAILIV EFAKDLMDKE DATA SEQUENCE GKGLIEATLD AVRMRLRPIL MTSLAFILGV MPLVISTGAG SGAQNAVGTG DATA SEQUENCE VMGGMVTATV LAIFFVPVFF VVVRRRFSRK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 D HA 0.000 nan 4.640 nan 0.000 0.175 7 D C 0.000 176.294 176.300 -0.011 0.000 2.045 7 D CA 0.000 54.010 54.000 0.017 0.000 0.868 7 D CB 0.000 40.821 40.800 0.035 0.000 0.688 8 R N 1.189 121.675 120.500 -0.022 0.000 2.575 8 R HA 0.535 4.876 4.340 0.001 0.000 0.293 8 R C -2.313 173.909 176.300 -0.129 0.000 0.983 8 R CA -1.404 54.624 56.100 -0.119 0.000 0.887 8 R CB 2.899 33.091 30.300 -0.180 0.000 1.184 8 R HN -0.059 nan 8.270 nan 0.000 0.445 9 P HA -0.065 nan 4.420 nan 0.000 0.211 9 P C 1.205 178.418 177.300 -0.145 0.000 1.158 9 P CA 0.052 63.046 63.100 -0.176 0.000 0.704 9 P CB -0.073 31.443 31.700 -0.307 0.000 0.618 10 I N -1.760 118.681 120.570 -0.215 0.000 4.673 10 I HA -0.418 3.753 4.170 0.001 0.000 0.072 10 I C 2.078 178.252 176.117 0.094 0.000 0.641 10 I CA 1.753 62.985 61.300 -0.114 0.000 0.572 10 I CB -2.741 35.101 38.000 -0.263 0.000 0.529 10 I HN 0.177 nan 8.210 nan 0.000 0.179 11 F N 1.717 121.718 119.950 0.085 0.000 2.091 11 F HA -0.141 4.387 4.527 0.001 0.000 0.299 11 F C 2.861 178.719 175.800 0.096 0.000 1.103 11 F CA 1.790 59.836 58.000 0.076 0.000 1.228 11 F CB -0.909 38.121 39.000 0.050 0.000 0.984 11 F HN 0.494 nan 8.300 nan 0.000 0.477 12 A N -0.337 122.644 122.820 0.269 0.000 1.877 12 A HA -0.216 4.105 4.320 0.001 0.000 0.216 12 A C 1.837 179.544 177.584 0.205 0.000 1.186 12 A CA 1.402 53.560 52.037 0.203 0.000 0.620 12 A CB -1.348 17.761 19.000 0.182 0.000 0.822 12 A HN 0.539 nan 8.150 nan 0.000 0.443 13 W N -0.366 120.947 121.300 0.023 0.000 2.465 13 W HA -0.027 4.633 4.660 0.001 0.000 0.268 13 W C 2.098 178.634 176.519 0.029 0.000 1.242 13 W CA 1.372 58.725 57.345 0.014 0.000 1.248 13 W CB -0.142 29.315 29.460 -0.006 0.000 1.118 13 W HN 0.147 nan 8.180 nan 0.000 0.587 14 V N -0.369 119.693 119.914 0.248 0.000 2.878 14 V HA -0.171 3.950 4.120 0.001 0.000 0.250 14 V C 1.888 178.041 176.094 0.098 0.000 1.075 14 V CA 1.047 63.450 62.300 0.171 0.000 1.096 14 V CB -0.368 31.569 31.823 0.189 0.000 0.724 14 V HN 0.066 nan 8.190 nan 0.000 0.467 15 I N 0.487 121.110 120.570 0.088 0.000 2.394 15 I HA -0.176 3.994 4.170 0.001 0.000 0.251 15 I C 2.547 178.658 176.117 -0.010 0.000 1.136 15 I CA 1.235 62.557 61.300 0.037 0.000 1.425 15 I CB -0.252 37.772 38.000 0.041 0.000 1.079 15 I HN 0.317 nan 8.210 nan 0.000 0.425 16 A N 0.784 123.577 122.820 -0.045 0.000 1.930 16 A HA -0.130 4.191 4.320 0.001 0.000 0.217 16 A C 2.141 179.671 177.584 -0.091 0.000 1.175 16 A CA 1.275 53.238 52.037 -0.123 0.000 0.627 16 A CB -0.605 18.223 19.000 -0.287 0.000 0.815 16 A HN 0.402 nan 8.150 nan 0.000 0.443 17 I N -0.595 119.952 120.570 -0.038 0.000 2.761 17 I HA -0.130 4.040 4.170 0.001 0.000 0.261 17 I C 2.049 178.166 176.117 -0.001 0.000 1.198 17 I CA 0.567 61.862 61.300 -0.009 0.000 1.482 17 I CB -0.147 37.878 38.000 0.043 0.000 1.100 17 I HN 0.272 nan 8.210 nan 0.000 0.445 18 I N 0.699 121.269 120.570 0.000 0.000 2.226 18 I HA -0.283 3.888 4.170 0.001 0.000 0.245 18 I C 2.249 178.358 176.117 -0.014 0.000 1.100 18 I CA 1.702 63.001 61.300 -0.002 0.000 1.374 18 I CB -0.083 37.917 38.000 -0.001 0.000 1.057 18 I HN 0.148 nan 8.210 nan 0.000 0.413 19 I N -0.304 120.250 120.570 -0.026 0.000 2.928 19 I HA -0.207 3.964 4.170 0.001 0.000 0.266 19 I C 2.271 178.375 176.117 -0.022 0.000 1.234 19 I CA 0.481 61.762 61.300 -0.031 0.000 1.483 19 I CB -0.169 37.801 38.000 -0.050 0.000 1.097 19 I HN 0.206 nan 8.210 nan 0.000 0.455 20 M N 0.114 119.698 119.600 -0.026 0.000 2.175 20 M HA -0.112 4.368 4.480 0.001 0.000 0.264 20 M C 2.235 178.536 176.300 0.003 0.000 1.063 20 M CA 1.751 57.042 55.300 -0.015 0.000 1.119 20 M CB -0.717 31.869 32.600 -0.022 0.000 1.377 20 M HN 0.261 nan 8.290 nan 0.000 0.415 21 L N -0.595 120.629 121.223 0.001 0.000 2.051 21 L HA -0.007 4.333 4.340 0.001 0.000 0.202 21 L C 2.738 179.612 176.870 0.006 0.000 1.097 21 L CA 0.956 55.798 54.840 0.004 0.000 0.762 21 L CB -1.366 40.694 42.059 0.002 0.000 0.913 21 L HN 0.193 nan 8.230 nan 0.000 0.447 22 A N 0.639 123.460 122.820 0.001 0.000 2.009 22 A HA -0.227 4.093 4.320 0.001 0.000 0.222 22 A C 2.258 179.855 177.584 0.022 0.000 1.175 22 A CA 2.221 54.258 52.037 -0.001 0.000 0.651 22 A CB -1.337 17.654 19.000 -0.015 0.000 0.815 22 A HN 0.570 nan 8.150 nan 0.000 0.459 23 G N -1.201 107.628 108.800 0.047 0.000 2.425 23 G HA2 0.173 4.134 3.960 0.001 0.000 0.213 23 G HA3 0.173 4.134 3.960 0.001 0.000 0.213 23 G C 1.435 176.405 174.900 0.118 0.000 1.201 23 G CA 0.913 46.088 45.100 0.126 0.000 0.799 23 G HN 0.802 nan 8.290 nan 0.000 0.534 24 G N 0.016 108.858 108.800 0.070 0.000 2.848 24 G HA2 0.058 4.019 3.960 0.001 0.000 0.208 24 G HA3 0.058 4.019 3.960 0.001 0.000 0.208 24 G C 1.393 176.286 174.900 -0.011 0.000 1.152 24 G CA 0.443 45.557 45.100 0.024 0.000 0.789 24 G HN 0.346 nan 8.290 nan 0.000 0.531 25 L N 0.211 121.431 121.223 -0.006 0.000 2.316 25 L HA 0.366 4.707 4.340 0.001 0.000 0.207 25 L C 2.565 179.417 176.870 -0.029 0.000 1.070 25 L CA 1.566 56.396 54.840 -0.017 0.000 0.820 25 L CB -0.716 41.337 42.059 -0.010 0.000 0.992 25 L HN 0.207 nan 8.230 nan 0.000 0.466 26 A N 0.099 122.906 122.820 -0.022 0.000 2.067 26 A HA -0.165 4.156 4.320 0.001 0.000 0.219 26 A C 2.066 179.593 177.584 -0.094 0.000 1.158 26 A CA 1.310 53.326 52.037 -0.034 0.000 0.661 26 A CB -0.524 18.480 19.000 0.007 0.000 0.801 26 A HN 0.422 nan 8.150 nan 0.000 0.452 27 I N -0.442 120.043 120.570 -0.141 0.000 2.546 27 I HA -0.067 4.104 4.170 0.001 0.000 0.255 27 I C 1.345 177.373 176.117 -0.149 0.000 1.163 27 I CA 0.960 62.117 61.300 -0.239 0.000 1.457 27 I CB 0.032 37.853 38.000 -0.298 0.000 1.092 27 I HN 0.282 nan 8.210 nan 0.000 0.434 28 L N -0.055 121.112 121.223 -0.093 0.000 2.728 28 L HA 0.210 4.551 4.340 0.001 0.000 0.235 28 L C 0.833 177.671 176.870 -0.052 0.000 1.197 28 L CA 0.140 54.941 54.840 -0.066 0.000 0.992 28 L CB -0.369 41.662 42.059 -0.047 0.000 1.263 28 L HN 0.031 nan 8.230 nan 0.000 0.484 29 K N 1.340 121.706 120.400 -0.058 0.000 3.506 29 K HA 0.344 4.665 4.320 0.001 0.000 0.166 29 K C -1.459 175.117 176.600 -0.040 0.000 1.003 29 K CA -0.219 56.043 56.287 -0.040 0.000 0.832 29 K CB 0.892 33.374 32.500 -0.030 0.000 0.733 29 K HN 0.091 nan 8.250 nan 0.000 0.471 30 L N 0.865 122.057 121.223 -0.052 0.000 2.611 30 L HA 0.450 4.791 4.340 0.001 0.000 0.260 30 L C -2.755 174.084 176.870 -0.052 0.000 0.924 30 L CA -1.136 53.676 54.840 -0.046 0.000 0.901 30 L CB 1.885 43.906 42.059 -0.064 0.000 1.369 30 L HN 0.008 nan 8.230 nan 0.000 0.415 31 P HA 0.048 nan 4.420 nan 0.000 0.261 31 P C 0.612 177.880 177.300 -0.052 0.000 1.203 31 P CA -0.133 62.949 63.100 -0.030 0.000 0.767 31 P CB 0.414 32.108 31.700 -0.009 0.000 0.785 32 V N 0.694 120.570 119.914 -0.064 0.000 3.602 32 V HA 0.210 4.330 4.120 0.001 0.000 0.289 32 V C 1.062 177.111 176.094 -0.075 0.000 1.265 32 V CA -0.016 62.234 62.300 -0.083 0.000 1.202 32 V CB -1.673 30.099 31.823 -0.086 0.000 1.012 32 V HN 0.500 nan 8.190 nan 0.000 0.431 33 A N 0.601 123.389 122.820 -0.054 0.000 2.407 33 A HA 0.304 4.624 4.320 0.001 0.000 0.257 33 A C 0.968 178.499 177.584 -0.087 0.000 1.131 33 A CA 0.101 52.113 52.037 -0.042 0.000 0.803 33 A CB 0.076 19.070 19.000 -0.010 0.000 1.083 33 A HN 0.516 nan 8.150 nan 0.000 0.512 34 Q N -1.145 118.614 119.800 -0.068 0.000 2.447 34 Q HA 0.173 4.514 4.340 0.001 0.000 0.180 34 Q C -0.445 175.461 176.000 -0.156 0.000 1.135 34 Q CA 0.071 55.769 55.803 -0.176 0.000 1.206 34 Q CB -0.313 28.415 28.738 -0.016 0.000 1.351 34 Q HN 0.592 nan 8.270 nan 0.000 0.646 35 Y N 0.891 121.150 120.300 -0.069 0.000 3.214 35 Y HA -0.170 4.380 4.550 0.001 0.000 0.351 35 Y C -1.507 174.348 175.900 -0.074 0.000 1.262 35 Y CA -0.471 57.579 58.100 -0.084 0.000 1.541 35 Y CB -1.236 37.196 38.460 -0.046 0.000 1.211 35 Y HN 0.404 nan 8.280 nan 0.000 0.637 36 P HA 0.036 nan 4.420 nan 0.000 0.286 36 P C -0.476 176.832 177.300 0.014 0.000 1.293 36 P CA -0.493 62.598 63.100 -0.015 0.000 0.770 36 P CB 0.465 32.093 31.700 -0.120 0.000 1.206 37 T N 0.854 115.405 114.554 -0.006 0.000 2.779 37 T HA 0.194 4.545 4.350 0.001 0.000 0.296 37 T C 1.216 175.911 174.700 -0.009 0.000 0.938 37 T CA 0.336 62.438 62.100 0.002 0.000 1.119 37 T CB -0.387 68.484 68.868 0.005 0.000 0.891 37 T HN 0.192 nan 8.240 nan 0.000 0.526 38 I N 2.495 123.062 120.570 -0.005 0.000 3.393 38 I HA 0.343 4.513 4.170 0.001 0.000 0.250 38 I C 1.487 177.604 176.117 0.000 0.000 1.122 38 I CA -0.209 61.087 61.300 -0.007 0.000 1.484 38 I CB -0.627 37.365 38.000 -0.014 0.000 1.468 38 I HN 0.555 nan 8.210 nan 0.000 0.461 39 A N 2.604 125.420 122.820 -0.007 0.000 2.498 39 A HA 0.322 4.642 4.320 0.001 0.000 0.239 39 A C -2.216 175.379 177.584 0.018 0.000 1.068 39 A CA -0.759 51.278 52.037 -0.001 0.000 0.766 39 A CB -1.030 17.967 19.000 -0.006 0.000 1.003 39 A HN 0.094 nan 8.150 nan 0.000 0.497 40 P HA 0.162 nan 4.420 nan 0.000 0.258 40 P C -2.398 174.932 177.300 0.049 0.000 1.187 40 P CA -0.405 62.721 63.100 0.042 0.000 0.767 40 P CB -0.292 31.431 31.700 0.038 0.000 0.770 41 P HA 0.092 nan 4.420 nan 0.000 0.261 41 P C -0.548 176.780 177.300 0.046 0.000 1.183 41 P CA 0.794 63.897 63.100 0.005 0.000 0.761 41 P CB 0.398 32.063 31.700 -0.057 0.000 0.785 42 A N 3.176 126.025 122.820 0.048 0.000 2.423 42 A HA 0.723 5.043 4.320 0.001 0.000 0.304 42 A C -0.889 176.734 177.584 0.066 0.000 1.104 42 A CA -0.579 51.538 52.037 0.134 0.000 0.757 42 A CB 1.392 20.470 19.000 0.129 0.000 1.313 42 A HN 0.306 nan 8.150 nan 0.000 0.423 43 V N 0.385 120.383 119.914 0.141 0.000 2.815 43 V HA 0.760 4.880 4.120 0.001 0.000 0.314 43 V C -0.232 175.925 176.094 0.106 0.000 1.064 43 V CA -0.447 61.905 62.300 0.087 0.000 0.952 43 V CB 2.175 34.047 31.823 0.083 0.000 1.020 43 V HN 0.945 nan 8.190 nan 0.000 0.439 44 T N 4.229 118.826 114.554 0.072 0.000 2.881 44 T HA 0.617 4.968 4.350 0.001 0.000 0.291 44 T C -0.469 174.261 174.700 0.051 0.000 0.990 44 T CA -0.215 61.926 62.100 0.068 0.000 0.976 44 T CB 1.032 69.942 68.868 0.070 0.000 0.970 44 T HN 0.388 nan 8.240 nan 0.000 0.438 45 I N 2.296 122.894 120.570 0.046 0.000 2.499 45 I HA 0.578 4.749 4.170 0.001 0.000 0.296 45 I C 0.357 176.490 176.117 0.027 0.000 0.992 45 I CA -0.502 60.816 61.300 0.031 0.000 1.297 45 I CB 1.444 39.459 38.000 0.025 0.000 1.410 45 I HN 0.556 nan 8.210 nan 0.000 0.507 46 S N 3.155 118.866 115.700 0.017 0.000 2.627 46 S HA 0.926 5.396 4.470 0.001 0.000 0.283 46 S C -0.973 173.629 174.600 0.003 0.000 1.127 46 S CA -0.794 57.414 58.200 0.014 0.000 0.863 46 S CB 2.371 65.579 63.200 0.013 0.000 1.121 46 S HN 0.851 nan 8.310 nan 0.000 0.479 47 A N 0.867 123.691 122.820 0.006 0.000 2.560 47 A HA 0.745 5.065 4.320 0.001 0.000 0.300 47 A C -0.779 176.817 177.584 0.021 0.000 1.062 47 A CA -0.511 51.526 52.037 -0.001 0.000 0.767 47 A CB 1.326 20.318 19.000 -0.014 0.000 1.288 47 A HN 0.617 nan 8.150 nan 0.000 0.396 48 S N 0.517 116.234 115.700 0.027 0.000 2.621 48 S HA 0.854 5.324 4.470 0.001 0.000 0.302 48 S C -1.222 173.467 174.600 0.149 0.000 1.093 48 S CA -0.354 57.889 58.200 0.072 0.000 1.017 48 S CB 1.239 64.470 63.200 0.052 0.000 1.077 48 S HN 1.153 nan 8.310 nan 0.000 0.517 49 Y N 2.633 122.938 120.300 0.008 0.000 2.412 49 Y HA 0.282 4.832 4.550 0.001 0.000 0.339 49 Y C -2.659 173.259 175.900 0.030 0.000 1.151 49 Y CA -2.294 55.815 58.100 0.015 0.000 1.355 49 Y CB 1.209 39.673 38.460 0.007 0.000 1.120 49 Y HN 0.499 nan 8.280 nan 0.000 0.529 50 P HA 0.044 nan 4.420 nan 0.000 0.255 50 P C 0.814 178.075 177.300 -0.063 0.000 1.173 50 P CA 2.553 65.694 63.100 0.068 0.000 0.780 50 P CB 0.550 32.345 31.700 0.159 0.000 0.758 51 G N 3.123 111.879 108.800 -0.073 0.000 2.420 51 G HA2 -0.260 3.700 3.960 0.001 0.000 0.221 51 G HA3 -0.260 3.700 3.960 0.001 0.000 0.221 51 G C 0.469 175.267 174.900 -0.171 0.000 1.117 51 G CA 0.009 45.050 45.100 -0.097 0.000 0.657 51 G HN 0.833 nan 8.290 nan 0.000 0.512 52 A N 2.259 124.871 122.820 -0.347 0.000 2.600 52 A HA 0.385 4.705 4.320 0.001 0.000 0.244 52 A C 0.953 178.445 177.584 -0.153 0.000 1.016 52 A CA 1.238 53.053 52.037 -0.370 0.000 0.778 52 A CB -0.225 18.397 19.000 -0.630 0.000 0.920 52 A HN 1.139 nan 8.150 nan 0.000 0.513 53 D N 2.151 122.484 120.400 -0.113 0.000 2.393 53 D HA 0.288 4.928 4.640 0.001 0.000 0.246 53 D C 1.180 177.463 176.300 -0.029 0.000 1.275 53 D CA 0.127 54.092 54.000 -0.058 0.000 0.979 53 D CB 0.875 41.641 40.800 -0.057 0.000 1.101 53 D HN 0.450 nan 8.370 nan 0.000 0.505 54 A N 0.321 123.132 122.820 -0.014 0.000 2.019 54 A HA -0.183 4.137 4.320 0.001 0.000 0.219 54 A C 1.960 179.539 177.584 -0.009 0.000 1.164 54 A CA 1.406 53.440 52.037 -0.006 0.000 0.644 54 A CB -0.351 18.643 19.000 -0.010 0.000 0.805 54 A HN 0.458 nan 8.150 nan 0.000 0.449 55 K N -0.825 119.569 120.400 -0.010 0.000 2.186 55 K HA 0.063 4.384 4.320 0.001 0.000 0.202 55 K C 2.000 178.607 176.600 0.012 0.000 1.052 55 K CA 1.492 57.776 56.287 -0.005 0.000 0.965 55 K CB -0.712 31.787 32.500 -0.003 0.000 0.746 55 K HN 0.410 nan 8.250 nan 0.000 0.457 56 T N 0.938 115.501 114.554 0.015 0.000 2.643 56 T HA -0.136 4.215 4.350 0.001 0.000 0.264 56 T C 1.924 176.688 174.700 0.107 0.000 1.045 56 T CA 1.923 64.053 62.100 0.050 0.000 1.155 56 T CB -0.484 68.391 68.868 0.013 0.000 0.863 56 T HN 0.127 nan 8.240 nan 0.000 0.420 57 V N 0.889 120.873 119.914 0.117 0.000 2.594 57 V HA -0.166 3.955 4.120 0.001 0.000 0.253 57 V C 2.397 178.533 176.094 0.071 0.000 1.069 57 V CA 1.776 64.161 62.300 0.142 0.000 1.082 57 V CB -0.992 30.908 31.823 0.130 0.000 0.680 57 V HN 0.344 nan 8.190 nan 0.000 0.469 58 Q N 2.136 121.960 119.800 0.041 0.000 2.226 58 Q HA -0.205 4.136 4.340 0.001 0.000 0.204 58 Q C 1.115 177.125 176.000 0.017 0.000 0.975 58 Q CA 2.150 57.965 55.803 0.019 0.000 0.866 58 Q CB -0.074 28.663 28.738 -0.002 0.000 0.915 58 Q HN 1.024 nan 8.270 nan 0.000 0.440 59 D N -2.867 117.549 120.400 0.026 0.000 2.636 59 D HA 0.073 4.714 4.640 0.001 0.000 0.270 59 D C 0.707 177.020 176.300 0.022 0.000 1.430 59 D CA 0.030 54.042 54.000 0.019 0.000 0.796 59 D CB 0.067 40.876 40.800 0.015 0.000 1.117 59 D HN -0.036 nan 8.370 nan 0.000 0.480 60 T N -1.269 113.305 114.554 0.033 0.000 2.964 60 T HA 0.182 4.532 4.350 0.001 0.000 0.250 60 T C 1.136 175.818 174.700 -0.030 0.000 0.982 60 T CA 0.901 63.011 62.100 0.017 0.000 0.959 60 T CB 0.365 69.277 68.868 0.074 0.000 1.141 60 T HN 0.004 nan 8.240 nan 0.000 0.494 61 V N 0.221 120.125 119.914 -0.016 0.000 2.948 61 V HA 0.144 4.264 4.120 0.001 0.000 0.234 61 V C 2.600 178.683 176.094 -0.018 0.000 1.205 61 V CA 1.025 63.300 62.300 -0.041 0.000 1.234 61 V CB -0.567 31.230 31.823 -0.044 0.000 1.020 61 V HN 0.289 nan 8.190 nan 0.000 0.491 62 T N 0.266 114.820 114.554 0.002 0.000 2.569 62 T HA -0.245 4.106 4.350 0.001 0.000 0.263 62 T C 1.939 176.636 174.700 -0.006 0.000 1.074 62 T CA 1.904 64.005 62.100 0.002 0.000 1.176 62 T CB -0.350 68.524 68.868 0.010 0.000 0.863 62 T HN 0.336 nan 8.240 nan 0.000 0.410 63 Q N 0.359 120.157 119.800 -0.004 0.000 2.096 63 Q HA -0.090 4.250 4.340 0.001 0.000 0.204 63 Q C 2.674 178.666 176.000 -0.012 0.000 0.982 63 Q CA 1.177 56.976 55.803 -0.007 0.000 0.850 63 Q CB -0.657 28.080 28.738 -0.003 0.000 0.901 63 Q HN 0.384 nan 8.270 nan 0.000 0.422 64 V N 1.037 120.942 119.914 -0.015 0.000 2.332 64 V HA -0.268 3.853 4.120 0.001 0.000 0.248 64 V C 2.235 178.317 176.094 -0.021 0.000 1.055 64 V CA 1.526 63.814 62.300 -0.020 0.000 1.038 64 V CB -0.489 31.318 31.823 -0.028 0.000 0.651 64 V HN 0.278 nan 8.190 nan 0.000 0.450 65 I N -0.311 120.246 120.570 -0.021 0.000 2.163 65 I HA -0.193 3.977 4.170 0.001 0.000 0.240 65 I C 2.609 178.714 176.117 -0.020 0.000 1.081 65 I CA 1.488 62.776 61.300 -0.019 0.000 1.353 65 I CB -0.446 37.544 38.000 -0.017 0.000 1.054 65 I HN 0.328 nan 8.210 nan 0.000 0.407 66 E N 0.541 120.729 120.200 -0.020 0.000 2.171 66 E HA -0.297 4.053 4.350 0.001 0.000 0.197 66 E C 2.135 178.719 176.600 -0.027 0.000 0.997 66 E CA 1.274 57.658 56.400 -0.026 0.000 0.810 66 E CB -0.222 29.463 29.700 -0.025 0.000 0.738 66 E HN 0.636 nan 8.360 nan 0.000 0.467 67 Q N 0.216 120.003 119.800 -0.022 0.000 2.049 67 Q HA -0.084 4.256 4.340 0.001 0.000 0.198 67 Q C 1.178 177.166 176.000 -0.020 0.000 0.971 67 Q CA 0.813 56.603 55.803 -0.020 0.000 0.833 67 Q CB -0.266 28.462 28.738 -0.017 0.000 0.896 67 Q HN 0.211 nan 8.270 nan 0.000 0.434 68 N N -0.089 118.599 118.700 -0.019 0.000 2.389 68 N HA 0.106 4.846 4.740 0.001 0.000 0.237 68 N C -0.476 175.024 175.510 -0.017 0.000 1.148 68 N CA -0.194 52.845 53.050 -0.017 0.000 0.854 68 N CB 0.245 38.722 38.487 -0.017 0.000 1.115 68 N HN -0.005 nan 8.380 nan 0.000 0.492 69 M N 1.769 121.356 119.600 -0.022 0.000 2.634 69 M HA 0.274 4.755 4.480 0.001 0.000 0.211 69 M C -1.565 174.715 176.300 -0.033 0.000 1.019 69 M CA -0.521 54.765 55.300 -0.023 0.000 0.834 69 M CB -0.018 32.566 32.600 -0.026 0.000 1.376 69 M HN 0.066 nan 8.290 nan 0.000 0.465 70 N N 0.394 119.078 118.700 -0.026 0.000 2.825 70 N HA 0.685 5.425 4.740 0.001 0.000 0.253 70 N C -0.217 175.281 175.510 -0.020 0.000 1.426 70 N CA -0.257 52.774 53.050 -0.032 0.000 0.851 70 N CB 1.177 39.645 38.487 -0.031 0.000 1.470 70 N HN 0.437 nan 8.380 nan 0.000 0.517 71 G N 0.043 108.829 108.800 -0.023 0.000 2.370 71 G HA2 -0.131 3.830 3.960 0.001 0.000 0.268 71 G HA3 -0.131 3.830 3.960 0.001 0.000 0.268 71 G C -0.972 173.928 174.900 0.001 0.000 1.122 71 G CA 0.099 45.192 45.100 -0.011 0.000 0.963 71 G HN 0.592 nan 8.290 nan 0.000 0.500 72 I N 0.336 120.903 120.570 -0.004 0.000 2.509 72 I HA 0.365 4.535 4.170 0.001 0.000 0.293 72 I C -0.480 175.655 176.117 0.030 0.000 1.020 72 I CA -1.043 60.275 61.300 0.030 0.000 1.088 72 I CB 1.775 39.801 38.000 0.044 0.000 1.267 72 I HN -0.017 nan 8.210 nan 0.000 0.430 73 D N 6.619 127.063 120.400 0.073 0.000 2.348 73 D HA 0.171 4.812 4.640 0.001 0.000 0.253 73 D C -0.358 176.013 176.300 0.119 0.000 1.161 73 D CA 0.238 54.279 54.000 0.068 0.000 0.876 73 D CB 0.531 41.368 40.800 0.062 0.000 1.160 73 D HN 0.499 nan 8.370 nan 0.000 0.459 74 N N 1.087 119.825 118.700 0.064 0.000 4.004 74 N HA -0.206 4.535 4.740 0.001 0.000 0.308 74 N C -1.337 174.132 175.510 -0.067 0.000 2.168 74 N CA 0.213 53.303 53.050 0.067 0.000 2.861 74 N CB -0.207 38.383 38.487 0.171 0.000 0.389 74 N HN 0.319 nan 8.380 nan 0.000 0.708 75 L N 3.380 124.475 121.223 -0.213 0.000 3.055 75 L HA 0.206 4.546 4.340 0.001 0.000 0.261 75 L C 0.411 177.083 176.870 -0.330 0.000 0.939 75 L CA -0.342 54.207 54.840 -0.484 0.000 1.091 75 L CB 1.223 42.978 42.059 -0.507 0.000 1.690 75 L HN 0.658 nan 8.230 nan 0.000 0.520 76 M N 3.240 122.595 119.600 -0.408 0.000 2.115 76 M HA 0.095 4.576 4.480 0.001 0.000 0.261 76 M C -0.246 175.934 176.300 -0.200 0.000 1.079 76 M CA 1.786 56.901 55.300 -0.310 0.000 1.143 76 M CB -0.075 32.221 32.600 -0.507 0.000 1.332 76 M HN 0.657 nan 8.290 nan 0.000 0.421 77 Y N -1.743 118.446 120.300 -0.186 0.000 2.788 77 Y HA 0.639 5.190 4.550 0.001 0.000 0.335 77 Y C -0.931 174.796 175.900 -0.288 0.000 1.287 77 Y CA -2.503 55.449 58.100 -0.247 0.000 1.068 77 Y CB 0.808 39.116 38.460 -0.253 0.000 1.340 77 Y HN 0.120 nan 8.280 nan 0.000 0.449 78 M N 2.135 121.680 119.600 -0.092 0.000 2.378 78 M HA 0.821 5.301 4.480 0.001 0.000 0.289 78 M C -1.554 174.616 176.300 -0.216 0.000 1.136 78 M CA -0.446 54.794 55.300 -0.101 0.000 0.917 78 M CB 2.616 35.145 32.600 -0.118 0.000 1.669 78 M HN 1.008 nan 8.290 nan 0.000 0.461 79 S N 2.305 117.959 115.700 -0.077 0.000 2.766 79 S HA 0.928 5.399 4.470 0.001 0.000 0.307 79 S C -0.475 174.133 174.600 0.013 0.000 1.121 79 S CA -0.267 57.910 58.200 -0.037 0.000 0.980 79 S CB 1.928 65.193 63.200 0.108 0.000 1.159 79 S HN 1.110 nan 8.310 nan 0.000 0.546 80 S N 0.352 116.077 115.700 0.041 0.000 2.570 80 S HA 0.637 5.108 4.470 0.001 0.000 0.270 80 S C -2.263 172.365 174.600 0.048 0.000 1.149 80 S CA -0.808 57.414 58.200 0.036 0.000 0.837 80 S CB 1.271 64.481 63.200 0.016 0.000 1.124 80 S HN 0.708 nan 8.310 nan 0.000 0.465 81 N N 1.737 120.463 118.700 0.044 0.000 2.581 81 N HA 0.364 5.104 4.740 0.001 0.000 0.279 81 N C -1.667 173.864 175.510 0.036 0.000 1.124 81 N CA -0.393 52.684 53.050 0.045 0.000 0.833 81 N CB 1.853 40.377 38.487 0.061 0.000 1.338 81 N HN 0.470 nan 8.380 nan 0.000 0.533 82 S N 1.081 116.795 115.700 0.023 0.000 2.835 82 S HA 0.235 4.706 4.470 0.001 0.000 0.286 82 S C 0.009 174.620 174.600 0.019 0.000 1.194 82 S CA -0.767 57.446 58.200 0.021 0.000 1.031 82 S CB 0.569 63.775 63.200 0.010 0.000 1.216 82 S HN 0.313 nan 8.310 nan 0.000 0.502 83 D N 1.952 122.370 120.400 0.029 0.000 2.360 83 D HA 0.061 4.702 4.640 0.001 0.000 0.242 83 D C 1.255 177.568 176.300 0.022 0.000 1.184 83 D CA 0.051 54.068 54.000 0.029 0.000 0.930 83 D CB 0.983 41.804 40.800 0.036 0.000 1.161 83 D HN 0.513 nan 8.370 nan 0.000 0.447 84 S N -0.956 114.756 115.700 0.020 0.000 2.527 84 S HA -0.078 4.393 4.470 0.001 0.000 0.222 84 S C 1.460 176.065 174.600 0.008 0.000 0.985 84 S CA 0.365 58.572 58.200 0.012 0.000 0.921 84 S CB -0.079 63.132 63.200 0.019 0.000 0.772 84 S HN 0.409 nan 8.310 nan 0.000 0.529 85 T N 1.499 116.063 114.554 0.016 0.000 3.072 85 T HA 0.313 4.663 4.350 0.001 0.000 0.266 85 T C 1.295 176.001 174.700 0.010 0.000 1.127 85 T CA 0.710 62.818 62.100 0.013 0.000 1.107 85 T CB -0.673 68.204 68.868 0.016 0.000 0.910 85 T HN 1.006 nan 8.240 nan 0.000 0.513 86 G N 2.515 111.324 108.800 0.015 0.000 2.255 86 G HA2 -0.171 3.789 3.960 0.001 0.000 0.239 86 G HA3 -0.171 3.789 3.960 0.001 0.000 0.239 86 G C 0.083 175.029 174.900 0.077 0.000 1.083 86 G CA -0.079 45.042 45.100 0.035 0.000 0.826 86 G HN 0.848 nan 8.290 nan 0.000 0.493 87 T N -3.039 111.549 114.554 0.057 0.000 3.066 87 T HA 0.630 4.980 4.350 0.001 0.000 0.318 87 T C -0.318 174.409 174.700 0.045 0.000 0.979 87 T CA -0.191 61.939 62.100 0.050 0.000 1.025 87 T CB 2.055 70.939 68.868 0.028 0.000 1.002 87 T HN 1.329 nan 8.240 nan 0.000 0.453 88 V N 2.643 122.584 119.914 0.046 0.000 2.716 88 V HA 0.700 4.821 4.120 0.001 0.000 0.304 88 V C -0.684 175.430 176.094 0.034 0.000 1.053 88 V CA -0.416 61.907 62.300 0.038 0.000 0.984 88 V CB 1.700 33.543 31.823 0.034 0.000 1.021 88 V HN 1.062 nan 8.190 nan 0.000 0.467 89 Q N 4.500 124.323 119.800 0.038 0.000 2.309 89 Q HA 0.473 4.814 4.340 0.001 0.000 0.254 89 Q C -1.919 174.108 176.000 0.046 0.000 0.938 89 Q CA -0.537 55.292 55.803 0.043 0.000 0.789 89 Q CB 1.685 30.456 28.738 0.054 0.000 1.313 89 Q HN 0.747 nan 8.270 nan 0.000 0.438 90 I N 2.691 123.284 120.570 0.038 0.000 2.336 90 I HA 0.354 4.524 4.170 0.001 0.000 0.292 90 I C -0.144 176.002 176.117 0.049 0.000 0.991 90 I CA 0.038 61.359 61.300 0.035 0.000 1.227 90 I CB 2.047 40.057 38.000 0.017 0.000 1.366 90 I HN 0.437 nan 8.210 nan 0.000 0.466 91 T N 7.097 121.687 114.554 0.061 0.000 2.823 91 T HA 0.731 5.082 4.350 0.001 0.000 0.279 91 T C -0.531 174.209 174.700 0.067 0.000 0.998 91 T CA -0.523 61.626 62.100 0.083 0.000 0.994 91 T CB 1.089 70.024 68.868 0.111 0.000 0.960 91 T HN 0.127 nan 8.240 nan 0.000 0.448 92 L N 2.885 124.150 121.223 0.071 0.000 2.372 92 L HA 0.447 4.788 4.340 0.001 0.000 0.273 92 L C 0.343 177.208 176.870 -0.009 0.000 0.989 92 L CA -0.562 54.254 54.840 -0.040 0.000 0.841 92 L CB 1.514 43.524 42.059 -0.081 0.000 1.225 92 L HN 0.597 nan 8.230 nan 0.000 0.414 93 T N 2.608 117.017 114.554 -0.242 0.000 2.845 93 T HA 0.648 4.998 4.350 0.001 0.000 0.288 93 T C -0.174 174.320 174.700 -0.343 0.000 0.980 93 T CA -0.111 61.865 62.100 -0.207 0.000 1.071 93 T CB 0.688 69.325 68.868 -0.385 0.000 0.941 93 T HN 0.049 nan 8.240 nan 0.000 0.487 94 F N 0.583 120.413 119.950 -0.200 0.000 2.535 94 F HA 0.437 4.965 4.527 0.001 0.000 0.367 94 F C 1.038 176.770 175.800 -0.115 0.000 1.096 94 F CA -1.403 56.510 58.000 -0.145 0.000 1.088 94 F CB 0.562 39.512 39.000 -0.084 0.000 1.387 94 F HN 0.351 nan 8.300 nan 0.000 0.494 95 E N -0.009 120.272 120.200 0.134 0.000 2.390 95 E HA 0.065 4.415 4.350 0.001 0.000 0.261 95 E C -0.353 176.298 176.600 0.084 0.000 1.076 95 E CA -0.129 56.315 56.400 0.073 0.000 0.905 95 E CB 0.952 30.689 29.700 0.062 0.000 0.984 95 E HN 0.365 nan 8.360 nan 0.000 0.427 96 S N 0.118 115.857 115.700 0.065 0.000 2.549 96 S HA 0.362 4.832 4.470 0.001 0.000 0.279 96 S C 1.101 175.745 174.600 0.074 0.000 1.321 96 S CA 0.754 58.994 58.200 0.067 0.000 1.054 96 S CB 0.108 63.351 63.200 0.071 0.000 0.899 96 S HN 0.679 nan 8.310 nan 0.000 0.497 97 G N 3.338 112.176 108.800 0.062 0.000 2.241 97 G HA2 -0.230 3.730 3.960 0.001 0.000 0.244 97 G HA3 -0.230 3.730 3.960 0.001 0.000 0.244 97 G C 0.311 175.236 174.900 0.042 0.000 0.998 97 G CA 0.218 45.356 45.100 0.062 0.000 0.621 97 G HN 0.859 nan 8.290 nan 0.000 0.519 98 T N 2.659 117.234 114.554 0.036 0.000 2.928 98 T HA 0.374 4.724 4.350 0.001 0.000 0.305 98 T C 0.182 174.857 174.700 -0.042 0.000 1.035 98 T CA 0.093 62.200 62.100 0.012 0.000 1.145 98 T CB 0.821 69.714 68.868 0.042 0.000 0.963 98 T HN 0.256 nan 8.240 nan 0.000 0.545 99 D N 1.834 122.203 120.400 -0.050 0.000 2.458 99 D HA 0.141 4.781 4.640 0.001 0.000 0.243 99 D C 0.961 177.169 176.300 -0.152 0.000 1.146 99 D CA -0.011 53.945 54.000 -0.073 0.000 0.877 99 D CB 1.060 41.829 40.800 -0.052 0.000 1.176 99 D HN 0.627 nan 8.370 nan 0.000 0.461 100 A N 3.633 126.369 122.820 -0.140 0.000 2.067 100 A HA -0.126 4.194 4.320 0.001 0.000 0.217 100 A C 1.642 179.129 177.584 -0.162 0.000 1.156 100 A CA 0.819 52.743 52.037 -0.189 0.000 0.683 100 A CB 0.109 19.036 19.000 -0.122 0.000 0.808 100 A HN 0.510 nan 8.150 nan 0.000 0.455 101 D N -0.064 120.272 120.400 -0.106 0.000 2.077 101 D HA -0.149 4.491 4.640 0.001 0.000 0.193 101 D C 1.791 178.039 176.300 -0.086 0.000 0.989 101 D CA 1.687 55.640 54.000 -0.077 0.000 0.831 101 D CB -0.302 40.470 40.800 -0.047 0.000 0.979 101 D HN 0.431 nan 8.370 nan 0.000 0.449 102 I N 1.178 121.698 120.570 -0.084 0.000 2.439 102 I HA -0.105 4.065 4.170 0.001 0.000 0.251 102 I C 2.092 178.149 176.117 -0.101 0.000 1.139 102 I CA 0.908 62.167 61.300 -0.068 0.000 1.438 102 I CB -0.377 37.600 38.000 -0.039 0.000 1.085 102 I HN -0.091 nan 8.210 nan 0.000 0.427 103 A N -0.188 122.500 122.820 -0.220 0.000 1.978 103 A HA -0.278 4.043 4.320 0.001 0.000 0.220 103 A C 2.380 179.786 177.584 -0.298 0.000 1.170 103 A CA 1.948 53.725 52.037 -0.433 0.000 0.636 103 A CB -0.811 17.519 19.000 -1.118 0.000 0.810 103 A HN 0.669 nan 8.150 nan 0.000 0.448 104 Q N -0.227 119.445 119.800 -0.213 0.000 2.083 104 Q HA -0.101 4.240 4.340 0.001 0.000 0.198 104 Q C 1.997 177.979 176.000 -0.031 0.000 0.969 104 Q CA 1.803 57.548 55.803 -0.096 0.000 0.838 104 Q CB -0.140 28.549 28.738 -0.083 0.000 0.900 104 Q HN 0.429 nan 8.270 nan 0.000 0.436 105 V N 1.381 121.274 119.914 -0.034 0.000 2.343 105 V HA -0.279 3.841 4.120 0.001 0.000 0.247 105 V C 2.336 178.436 176.094 0.010 0.000 1.051 105 V CA 1.964 64.257 62.300 -0.011 0.000 1.036 105 V CB -0.628 31.186 31.823 -0.015 0.000 0.654 105 V HN 0.418 nan 8.190 nan 0.000 0.451 106 Q N -0.757 119.057 119.800 0.023 0.000 2.135 106 Q HA -0.188 4.153 4.340 0.001 0.000 0.204 106 Q C 2.392 178.429 176.000 0.062 0.000 0.981 106 Q CA 1.751 57.584 55.803 0.049 0.000 0.856 106 Q CB -0.378 28.410 28.738 0.082 0.000 0.902 106 Q HN 0.526 nan 8.270 nan 0.000 0.425 107 V N 1.041 121.008 119.914 0.089 0.000 2.548 107 V HA -0.236 3.885 4.120 0.001 0.000 0.249 107 V C 2.089 178.210 176.094 0.045 0.000 1.055 107 V CA 2.117 64.471 62.300 0.089 0.000 1.065 107 V CB -0.071 31.842 31.823 0.149 0.000 0.681 107 V HN 0.469 nan 8.190 nan 0.000 0.462 108 Q N -0.905 118.913 119.800 0.030 0.000 2.319 108 Q HA 0.101 4.442 4.340 0.001 0.000 0.202 108 Q C 0.516 176.520 176.000 0.007 0.000 0.896 108 Q CA 0.737 56.549 55.803 0.014 0.000 0.942 108 Q CB -0.027 28.716 28.738 0.008 0.000 1.083 108 Q HN 0.474 nan 8.270 nan 0.000 0.510 109 N N 0.383 119.089 118.700 0.010 0.000 2.671 109 N HA 0.211 4.951 4.740 0.001 0.000 0.303 109 N C -0.400 175.113 175.510 0.005 0.000 1.351 109 N CA -0.124 52.929 53.050 0.005 0.000 0.991 109 N CB 0.934 39.424 38.487 0.005 0.000 1.307 109 N HN 0.095 nan 8.380 nan 0.000 0.512 110 K N -0.642 119.760 120.400 0.004 0.000 2.907 110 K HA 0.148 4.468 4.320 0.001 0.000 0.175 110 K C 1.275 177.873 176.600 -0.004 0.000 1.860 110 K CA 0.015 56.303 56.287 0.001 0.000 1.404 110 K CB -0.108 32.396 32.500 0.007 0.000 2.100 110 K HN 0.173 nan 8.250 nan 0.000 0.616 111 L N 2.361 123.583 121.223 -0.002 0.000 2.042 111 L HA -0.168 4.173 4.340 0.001 0.000 0.210 111 L C 2.367 179.229 176.870 -0.013 0.000 1.076 111 L CA 1.975 56.810 54.840 -0.008 0.000 0.749 111 L CB -0.177 41.880 42.059 -0.004 0.000 0.893 111 L HN 0.330 nan 8.230 nan 0.000 0.432 112 Q N -0.142 119.651 119.800 -0.011 0.000 2.234 112 Q HA -0.218 4.122 4.340 0.001 0.000 0.206 112 Q C 2.111 178.102 176.000 -0.015 0.000 0.980 112 Q CA 1.648 57.443 55.803 -0.014 0.000 0.869 112 Q CB -0.113 28.619 28.738 -0.010 0.000 0.912 112 Q HN 0.695 nan 8.270 nan 0.000 0.436 113 L N -0.675 120.540 121.223 -0.013 0.000 2.179 113 L HA 0.027 4.367 4.340 0.001 0.000 0.208 113 L C 2.117 178.977 176.870 -0.017 0.000 1.096 113 L CA 0.725 55.557 54.840 -0.014 0.000 0.779 113 L CB -0.322 41.730 42.059 -0.011 0.000 0.922 113 L HN 0.117 nan 8.230 nan 0.000 0.443 114 A N -1.083 121.726 122.820 -0.020 0.000 2.307 114 A HA 0.081 4.402 4.320 0.001 0.000 0.218 114 A C 2.102 179.667 177.584 -0.032 0.000 1.228 114 A CA 0.060 52.083 52.037 -0.025 0.000 0.857 114 A CB -0.104 18.881 19.000 -0.024 0.000 0.897 114 A HN 0.142 nan 8.150 nan 0.000 0.495 115 M N 0.325 119.906 119.600 -0.031 0.000 2.132 115 M HA -0.018 4.463 4.480 0.001 0.000 0.263 115 M C -1.021 175.253 176.300 -0.044 0.000 1.065 115 M CA 1.029 56.305 55.300 -0.039 0.000 1.122 115 M CB -1.806 30.773 32.600 -0.034 0.000 1.365 115 M HN 0.133 nan 8.290 nan 0.000 0.411 116 P HA 0.032 nan 4.420 nan 0.000 0.245 116 P C 0.627 177.905 177.300 -0.037 0.000 1.212 116 P CA 0.715 63.794 63.100 -0.034 0.000 0.774 116 P CB -0.019 31.666 31.700 -0.026 0.000 0.999 117 L N -0.270 120.930 121.223 -0.039 0.000 3.036 117 L HA 0.311 4.651 4.340 0.001 0.000 0.237 117 L C 0.068 176.905 176.870 -0.055 0.000 1.319 117 L CA 0.180 54.996 54.840 -0.039 0.000 1.112 117 L CB -0.314 41.727 42.059 -0.031 0.000 1.480 117 L HN 0.026 nan 8.230 nan 0.000 0.506 118 L N 0.289 121.469 121.223 -0.072 0.000 2.388 118 L HA 0.518 4.858 4.340 0.001 0.000 0.264 118 L C -2.225 174.564 176.870 -0.136 0.000 0.998 118 L CA -1.838 52.935 54.840 -0.112 0.000 0.817 118 L CB 2.787 44.775 42.059 -0.118 0.000 1.338 118 L HN -0.063 nan 8.230 nan 0.000 0.414 119 P HA -0.061 nan 4.420 nan 0.000 0.264 119 P C -0.072 177.118 177.300 -0.184 0.000 1.179 119 P CA 0.043 63.008 63.100 -0.225 0.000 0.763 119 P CB 0.411 31.801 31.700 -0.517 0.000 0.806 120 Q N 1.330 121.075 119.800 -0.092 0.000 2.291 120 Q HA -0.173 4.167 4.340 0.001 0.000 0.205 120 Q C 0.970 176.937 176.000 -0.055 0.000 0.970 120 Q CA 1.375 57.142 55.803 -0.061 0.000 0.876 120 Q CB -0.348 28.378 28.738 -0.020 0.000 0.935 120 Q HN 0.381 nan 8.270 nan 0.000 0.455 121 E N 0.890 121.069 120.200 -0.034 0.000 2.107 121 E HA -0.083 4.268 4.350 0.001 0.000 0.191 121 E C 1.957 178.517 176.600 -0.067 0.000 0.982 121 E CA 1.020 57.434 56.400 0.025 0.000 0.809 121 E CB -0.043 29.793 29.700 0.227 0.000 0.756 121 E HN 0.145 nan 8.360 nan 0.000 0.459 122 V N 0.590 120.366 119.914 -0.229 0.000 2.548 122 V HA -0.251 3.870 4.120 0.001 0.000 0.249 122 V C 2.171 178.170 176.094 -0.158 0.000 1.055 122 V CA 1.647 63.801 62.300 -0.243 0.000 1.065 122 V CB -0.226 31.342 31.823 -0.425 0.000 0.681 122 V HN 0.262 nan 8.190 nan 0.000 0.462 123 Q N -0.213 119.501 119.800 -0.144 0.000 2.046 123 Q HA -0.254 4.087 4.340 0.001 0.000 0.200 123 Q C 2.316 178.245 176.000 -0.119 0.000 0.975 123 Q CA 1.959 57.696 55.803 -0.111 0.000 0.836 123 Q CB -0.072 28.613 28.738 -0.089 0.000 0.896 123 Q HN 0.862 nan 8.270 nan 0.000 0.428 124 Q N -0.374 119.337 119.800 -0.149 0.000 2.435 124 Q HA -0.042 4.298 4.340 0.001 0.000 0.207 124 Q C 0.416 176.224 176.000 -0.321 0.000 0.956 124 Q CA 0.235 55.897 55.803 -0.235 0.000 0.917 124 Q CB 0.167 28.733 28.738 -0.286 0.000 0.997 124 Q HN 0.091 nan 8.270 nan 0.000 0.497 125 Q N 1.144 120.814 119.800 -0.216 0.000 2.396 125 Q HA 0.377 4.717 4.340 0.001 0.000 0.221 125 Q C -0.246 175.692 176.000 -0.103 0.000 1.025 125 Q CA 0.413 56.124 55.803 -0.152 0.000 0.946 125 Q CB 0.925 29.628 28.738 -0.058 0.000 1.224 125 Q HN 0.392 nan 8.270 nan 0.000 0.539 126 G N 0.425 109.188 108.800 -0.061 0.000 2.428 126 G HA2 0.372 4.332 3.960 0.001 0.000 0.293 126 G HA3 0.372 4.332 3.960 0.001 0.000 0.293 126 G C -0.888 173.992 174.900 -0.033 0.000 1.059 126 G CA -0.352 44.723 45.100 -0.042 0.000 1.194 126 G HN 0.334 nan 8.290 nan 0.000 0.435 127 V N 2.421 122.312 119.914 -0.038 0.000 2.370 127 V HA 0.548 4.669 4.120 0.001 0.000 0.279 127 V C 0.120 176.203 176.094 -0.019 0.000 1.029 127 V CA -0.620 61.663 62.300 -0.029 0.000 0.870 127 V CB 1.092 32.893 31.823 -0.036 0.000 0.984 127 V HN 0.672 nan 8.190 nan 0.000 0.451 128 S N 3.451 119.145 115.700 -0.009 0.000 2.536 128 S HA 0.780 5.250 4.470 0.001 0.000 0.287 128 S C -0.658 173.945 174.600 0.005 0.000 1.101 128 S CA -0.713 57.486 58.200 -0.003 0.000 0.950 128 S CB 2.190 65.391 63.200 0.000 0.000 1.056 128 S HN 0.449 nan 8.310 nan 0.000 0.481 129 V N 2.964 122.881 119.914 0.006 0.000 2.447 129 V HA 0.541 4.662 4.120 0.001 0.000 0.292 129 V C -0.440 175.659 176.094 0.009 0.000 1.021 129 V CA -0.595 61.712 62.300 0.012 0.000 0.850 129 V CB 1.141 32.970 31.823 0.011 0.000 1.005 129 V HN 1.028 nan 8.190 nan 0.000 0.426 130 E N 3.218 123.427 120.200 0.015 0.000 2.446 130 E HA 0.734 5.084 4.350 0.001 0.000 0.269 130 E C -1.595 175.013 176.600 0.013 0.000 0.977 130 E CA -1.423 54.985 56.400 0.013 0.000 0.854 130 E CB 1.679 31.392 29.700 0.022 0.000 1.545 130 E HN 0.268 nan 8.360 nan 0.000 0.448 131 K N 0.950 121.357 120.400 0.012 0.000 2.234 131 K HA 0.350 4.670 4.320 0.001 0.000 0.277 131 K C -0.562 176.056 176.600 0.030 0.000 1.038 131 K CA -0.357 55.935 56.287 0.008 0.000 0.888 131 K CB 1.675 34.171 32.500 -0.006 0.000 1.091 131 K HN 0.456 nan 8.250 nan 0.000 0.467 132 S N 1.357 117.079 115.700 0.037 0.000 2.632 132 S HA 0.396 4.867 4.470 0.001 0.000 0.267 132 S C 0.222 174.845 174.600 0.038 0.000 1.276 132 S CA -0.270 57.959 58.200 0.050 0.000 0.998 132 S CB 0.776 64.014 63.200 0.063 0.000 0.953 132 S HN 0.445 nan 8.310 nan 0.000 0.547 133 S N 0.442 116.163 115.700 0.034 0.000 2.760 133 S HA 0.201 4.671 4.470 0.001 0.000 0.263 133 S C 0.011 174.598 174.600 -0.021 0.000 1.007 133 S CA 0.029 58.236 58.200 0.013 0.000 1.358 133 S CB 0.035 63.247 63.200 0.021 0.000 1.228 133 S HN 0.919 nan 8.310 nan 0.000 0.684 134 S N 2.474 118.167 115.700 -0.011 0.000 3.313 134 S HA -0.161 4.310 4.470 0.001 0.000 0.384 134 S C 0.039 174.538 174.600 -0.169 0.000 0.956 134 S CA 0.899 59.076 58.200 -0.039 0.000 1.212 134 S CB -1.628 61.551 63.200 -0.035 0.000 0.892 134 S HN 1.078 nan 8.310 nan 0.000 0.469 135 S N -0.965 114.604 115.700 -0.218 0.000 2.582 135 S HA 0.640 5.111 4.470 0.001 0.000 0.296 135 S C -0.505 173.964 174.600 -0.217 0.000 1.118 135 S CA -1.173 56.890 58.200 -0.228 0.000 0.947 135 S CB 0.298 63.450 63.200 -0.081 0.000 1.131 135 S HN 0.163 nan 8.310 nan 0.000 0.453 136 F N 2.227 122.211 119.950 0.057 0.000 2.362 136 F HA 0.691 5.219 4.527 0.001 0.000 0.311 136 F C 1.363 177.048 175.800 -0.192 0.000 1.161 136 F CA -0.834 57.106 58.000 -0.098 0.000 1.085 136 F CB 0.600 39.463 39.000 -0.228 0.000 1.311 136 F HN 0.675 nan 8.300 nan 0.000 0.524 137 L N -1.568 119.669 121.223 0.024 0.000 3.099 137 L HA 0.389 4.729 4.340 0.001 0.000 0.165 137 L C 0.043 176.896 176.870 -0.029 0.000 1.151 137 L CA -0.648 54.207 54.840 0.024 0.000 0.878 137 L CB -0.115 42.003 42.059 0.097 0.000 1.615 137 L HN 0.285 nan 8.230 nan 0.000 0.545 138 M N 2.948 122.551 119.600 0.005 0.000 2.146 138 M HA 0.350 4.831 4.480 0.001 0.000 0.352 138 M C -1.189 175.052 176.300 -0.099 0.000 1.343 138 M CA -0.104 55.192 55.300 -0.006 0.000 1.115 138 M CB 1.472 34.094 32.600 0.037 0.000 1.657 138 M HN 0.107 nan 8.290 nan 0.000 0.471 139 V N 5.709 125.523 119.914 -0.167 0.000 2.327 139 V HA 0.212 4.332 4.120 0.001 0.000 0.272 139 V C -0.175 175.705 176.094 -0.358 0.000 1.019 139 V CA -0.735 61.382 62.300 -0.306 0.000 0.814 139 V CB 1.262 32.857 31.823 -0.380 0.000 1.040 139 V HN 0.587 nan 8.190 nan 0.000 0.440 140 V N 3.664 123.387 119.914 -0.318 0.000 2.356 140 V HA 0.474 4.594 4.120 0.001 0.000 0.258 140 V C 1.262 177.076 176.094 -0.466 0.000 1.065 140 V CA -0.237 61.854 62.300 -0.348 0.000 0.935 140 V CB 0.709 32.396 31.823 -0.227 0.000 1.061 140 V HN 0.786 nan 8.190 nan 0.000 0.484 141 G N 3.749 112.203 108.800 -0.576 0.000 2.491 141 G HA2 0.464 4.424 3.960 0.001 0.000 0.242 141 G HA3 0.464 4.424 3.960 0.001 0.000 0.242 141 G C -0.562 174.099 174.900 -0.397 0.000 1.266 141 G CA -0.165 44.648 45.100 -0.478 0.000 0.844 141 G HN 0.658 nan 8.290 nan 0.000 0.571 142 V N 3.461 123.230 119.914 -0.241 0.000 2.569 142 V HA 0.511 4.632 4.120 0.001 0.000 0.301 142 V C 0.293 176.305 176.094 -0.137 0.000 1.044 142 V CA -0.669 61.502 62.300 -0.215 0.000 0.874 142 V CB 0.901 32.601 31.823 -0.206 0.000 1.002 142 V HN 0.878 nan 8.190 nan 0.000 0.424 143 I N 0.957 121.454 120.570 -0.121 0.000 3.436 143 I HA 0.764 4.935 4.170 0.001 0.000 0.300 143 I C -0.913 175.187 176.117 -0.027 0.000 1.131 143 I CA -0.765 60.511 61.300 -0.040 0.000 1.001 143 I CB 2.498 40.514 38.000 0.027 0.000 1.305 143 I HN 0.561 nan 8.210 nan 0.000 0.494 144 N N -0.120 118.583 118.700 0.004 0.000 2.242 144 N HA 0.400 5.140 4.740 0.001 0.000 0.292 144 N C -0.414 175.111 175.510 0.025 0.000 1.125 144 N CA 0.181 53.234 53.050 0.006 0.000 0.783 144 N CB 2.561 41.045 38.487 -0.006 0.000 1.558 144 N HN 0.932 nan 8.380 nan 0.000 0.472 145 T N -1.000 113.570 114.554 0.026 0.000 3.221 145 T HA 0.088 4.439 4.350 0.001 0.000 0.250 145 T C 0.987 175.701 174.700 0.023 0.000 0.988 145 T CA 0.355 62.474 62.100 0.031 0.000 1.163 145 T CB -0.108 68.784 68.868 0.039 0.000 1.098 145 T HN 0.358 nan 8.240 nan 0.000 0.422 146 D N 2.373 122.786 120.400 0.022 0.000 2.196 146 D HA 0.201 4.842 4.640 0.001 0.000 0.228 146 D C 1.495 177.802 176.300 0.012 0.000 1.028 146 D CA 1.179 55.190 54.000 0.017 0.000 0.924 146 D CB -0.750 40.061 40.800 0.019 0.000 1.025 146 D HN 0.496 nan 8.370 nan 0.000 0.438 147 G N 0.969 109.773 108.800 0.008 0.000 2.821 147 G HA2 0.282 4.243 3.960 0.001 0.000 0.289 147 G HA3 0.282 4.243 3.960 0.001 0.000 0.289 147 G C -0.091 174.809 174.900 -0.001 0.000 0.771 147 G CA -0.160 44.941 45.100 0.002 0.000 1.908 147 G HN 0.176 nan 8.290 nan 0.000 0.539 148 T N 3.555 118.113 114.554 0.005 0.000 2.940 148 T HA 0.404 4.755 4.350 0.001 0.000 0.309 148 T C 0.643 175.347 174.700 0.007 0.000 1.056 148 T CA 0.397 62.501 62.100 0.007 0.000 1.137 148 T CB 0.635 69.510 68.868 0.012 0.000 0.976 148 T HN 0.616 nan 8.240 nan 0.000 0.547 149 M N 0.426 120.030 119.600 0.006 0.000 2.575 149 M HA 0.542 5.022 4.480 0.001 0.000 0.284 149 M C 0.074 176.385 176.300 0.017 0.000 1.253 149 M CA -1.231 54.076 55.300 0.012 0.000 0.861 149 M CB 1.783 34.381 32.600 -0.003 0.000 1.733 149 M HN 0.582 nan 8.290 nan 0.000 0.462 150 T N -1.185 113.389 114.554 0.034 0.000 2.732 150 T HA 0.219 4.570 4.350 0.001 0.000 0.287 150 T C 0.403 175.114 174.700 0.019 0.000 0.993 150 T CA -0.525 61.597 62.100 0.037 0.000 0.966 150 T CB 0.397 69.306 68.868 0.069 0.000 1.047 150 T HN 0.837 nan 8.240 nan 0.000 0.527 151 Q N 0.157 119.969 119.800 0.020 0.000 3.181 151 Q HA 0.415 4.755 4.340 0.001 0.000 0.293 151 Q C -0.079 175.922 176.000 0.001 0.000 1.406 151 Q CA -0.309 55.496 55.803 0.003 0.000 1.026 151 Q CB 0.167 28.905 28.738 0.000 0.000 1.630 151 Q HN 0.879 nan 8.270 nan 0.000 0.553 152 E N 0.986 121.168 120.200 -0.031 0.000 1.448 152 E HA -0.066 4.284 4.350 0.001 0.000 0.223 152 E C 0.132 176.571 176.600 -0.267 0.000 1.059 152 E CA 0.740 57.094 56.400 -0.077 0.000 1.247 152 E CB -0.439 29.310 29.700 0.081 0.000 4.496 152 E HN 0.420 nan 8.360 nan 0.000 0.768 153 D N 0.385 120.713 120.400 -0.120 0.000 2.144 153 D HA -0.018 4.622 4.640 0.001 0.000 0.199 153 D C 1.685 177.888 176.300 -0.160 0.000 0.984 153 D CA 1.784 55.695 54.000 -0.149 0.000 0.834 153 D CB 0.184 41.004 40.800 0.033 0.000 0.955 153 D HN 0.297 nan 8.370 nan 0.000 0.465 154 I N -0.050 120.461 120.570 -0.099 0.000 2.480 154 I HA -0.145 4.026 4.170 0.001 0.000 0.251 154 I C 2.071 178.134 176.117 -0.089 0.000 1.124 154 I CA 0.513 61.777 61.300 -0.060 0.000 1.444 154 I CB -0.025 37.947 38.000 -0.047 0.000 1.098 154 I HN -0.101 nan 8.210 nan 0.000 0.428 155 S N 0.489 116.116 115.700 -0.121 0.000 2.399 155 S HA -0.236 4.235 4.470 0.001 0.000 0.231 155 S C 1.604 176.102 174.600 -0.170 0.000 1.022 155 S CA 1.846 59.974 58.200 -0.119 0.000 0.983 155 S CB -0.395 62.738 63.200 -0.112 0.000 0.803 155 S HN 0.568 nan 8.310 nan 0.000 0.480 156 D N 0.251 120.476 120.400 -0.292 0.000 2.103 156 D HA -0.160 4.481 4.640 0.001 0.000 0.199 156 D C 1.836 178.074 176.300 -0.103 0.000 0.978 156 D CA 0.855 54.670 54.000 -0.308 0.000 0.829 156 D CB -0.318 40.012 40.800 -0.783 0.000 0.981 156 D HN 0.351 nan 8.370 nan 0.000 0.464 157 Y N 0.529 120.707 120.300 -0.204 0.000 2.293 157 Y HA -0.019 4.531 4.550 0.001 0.000 0.291 157 Y C 2.047 177.873 175.900 -0.124 0.000 1.137 157 Y CA 0.802 58.821 58.100 -0.134 0.000 1.202 157 Y CB -0.433 37.941 38.460 -0.144 0.000 0.990 157 Y HN -0.056 nan 8.280 nan 0.000 0.537 158 V N 0.197 119.972 119.914 -0.231 0.000 2.343 158 V HA -0.291 3.829 4.120 0.001 0.000 0.247 158 V C 2.490 178.469 176.094 -0.191 0.000 1.051 158 V CA 1.973 64.115 62.300 -0.263 0.000 1.036 158 V CB -1.341 30.387 31.823 -0.158 0.000 0.654 158 V HN 0.514 nan 8.190 nan 0.000 0.451 159 A N -0.964 121.778 122.820 -0.129 0.000 2.238 159 A HA 0.460 4.781 4.320 0.001 0.000 0.208 159 A C 1.609 179.149 177.584 -0.072 0.000 1.177 159 A CA 0.952 52.937 52.037 -0.087 0.000 0.804 159 A CB -0.210 18.751 19.000 -0.066 0.000 0.823 159 A HN 0.584 nan 8.150 nan 0.000 0.482 160 A N -0.948 121.819 122.820 -0.089 0.000 2.749 160 A HA 0.556 4.877 4.320 0.001 0.000 0.299 160 A C 0.405 177.943 177.584 -0.077 0.000 1.105 160 A CA 0.290 52.302 52.037 -0.042 0.000 0.987 160 A CB -0.268 18.750 19.000 0.030 0.000 1.180 160 A HN 0.415 nan 8.150 nan 0.000 0.528 161 N N -1.830 116.783 118.700 -0.145 0.000 2.425 161 N HA 0.081 4.821 4.740 0.001 0.000 0.317 161 N C 1.112 176.554 175.510 -0.112 0.000 0.662 161 N CA 0.797 53.749 53.050 -0.163 0.000 0.791 161 N CB -0.039 38.202 38.487 -0.409 0.000 2.252 161 N HN 0.191 nan 8.380 nan 0.000 1.331 162 M N 0.012 119.533 119.600 -0.131 0.000 2.800 162 M HA 0.264 4.745 4.480 0.001 0.000 0.257 162 M C 1.794 178.063 176.300 -0.052 0.000 1.309 162 M CA 0.406 55.664 55.300 -0.069 0.000 1.202 162 M CB 0.111 32.673 32.600 -0.063 0.000 1.273 162 M HN 0.030 nan 8.290 nan 0.000 0.528 163 K N 1.161 121.523 120.400 -0.064 0.000 2.103 163 K HA -0.220 4.101 4.320 0.001 0.000 0.207 163 K C 1.278 177.861 176.600 -0.028 0.000 1.048 163 K CA 2.083 58.345 56.287 -0.041 0.000 0.930 163 K CB -0.022 32.452 32.500 -0.044 0.000 0.716 163 K HN 0.121 nan 8.250 nan 0.000 0.444 164 D N -0.308 120.073 120.400 -0.033 0.000 2.117 164 D HA -0.105 4.536 4.640 0.001 0.000 0.197 164 D C 1.663 177.952 176.300 -0.018 0.000 0.987 164 D CA 1.469 55.455 54.000 -0.023 0.000 0.829 164 D CB 0.001 40.785 40.800 -0.026 0.000 0.961 164 D HN 0.396 nan 8.370 nan 0.000 0.460 165 A N -0.084 122.724 122.820 -0.021 0.000 1.854 165 A HA -0.071 4.249 4.320 0.001 0.000 0.214 165 A C 2.034 179.614 177.584 -0.006 0.000 1.192 165 A CA 0.781 52.809 52.037 -0.014 0.000 0.611 165 A CB -0.628 18.363 19.000 -0.016 0.000 0.832 165 A HN 0.161 nan 8.150 nan 0.000 0.442 166 I N 1.438 122.005 120.570 -0.005 0.000 2.208 166 I HA -0.209 3.961 4.170 0.001 0.000 0.245 166 I C 2.599 178.721 176.117 0.009 0.000 1.097 166 I CA 1.917 63.219 61.300 0.004 0.000 1.363 166 I CB -0.705 37.296 38.000 0.002 0.000 1.051 166 I HN 0.458 nan 8.210 nan 0.000 0.413 167 S N -0.314 115.390 115.700 0.006 0.000 2.595 167 S HA -0.085 4.385 4.470 0.001 0.000 0.235 167 S C 1.893 176.499 174.600 0.010 0.000 0.974 167 S CA 0.599 58.805 58.200 0.011 0.000 0.942 167 S CB -0.228 62.976 63.200 0.007 0.000 0.766 167 S HN 0.558 nan 8.310 nan 0.000 0.536 168 R N 0.475 120.978 120.500 0.006 0.000 2.493 168 R HA 0.143 4.484 4.340 0.001 0.000 0.177 168 R C -0.236 176.067 176.300 0.005 0.000 0.861 168 R CA 0.503 56.605 56.100 0.004 0.000 1.083 168 R CB -0.361 29.938 30.300 -0.002 0.000 1.328 168 R HN 0.327 nan 8.270 nan 0.000 0.615 169 T N 2.726 117.283 114.554 0.005 0.000 2.867 169 T HA -0.100 4.250 4.350 0.001 0.000 0.290 169 T C 0.084 174.790 174.700 0.011 0.000 1.025 169 T CA 1.331 63.435 62.100 0.007 0.000 1.146 169 T CB 0.282 69.155 68.868 0.008 0.000 1.024 169 T HN 0.633 nan 8.240 nan 0.000 0.519 170 S N 1.535 117.241 115.700 0.010 0.000 3.255 170 S HA -0.157 4.313 4.470 0.001 0.000 0.358 170 S C 1.021 175.630 174.600 0.016 0.000 0.915 170 S CA 0.301 58.509 58.200 0.012 0.000 1.335 170 S CB -2.159 61.050 63.200 0.015 0.000 0.938 170 S HN 2.203 nan 8.310 nan 0.000 0.550 171 G N 0.888 109.696 108.800 0.012 0.000 2.242 171 G HA2 -0.132 3.828 3.960 0.001 0.000 0.265 171 G HA3 -0.132 3.828 3.960 0.001 0.000 0.265 171 G C 0.200 175.113 174.900 0.022 0.000 0.832 171 G CA 0.052 45.160 45.100 0.014 0.000 1.181 171 G HN 1.643 nan 8.290 nan 0.000 0.428 172 V N 0.877 120.807 119.914 0.025 0.000 2.508 172 V HA 0.390 4.510 4.120 0.001 0.000 0.281 172 V C 1.941 178.059 176.094 0.040 0.000 1.041 172 V CA 0.749 63.071 62.300 0.037 0.000 1.016 172 V CB 1.013 32.859 31.823 0.038 0.000 0.984 172 V HN 0.562 nan 8.190 nan 0.000 0.478 173 G N 3.709 112.540 108.800 0.052 0.000 2.453 173 G HA2 -0.108 3.853 3.960 0.001 0.000 0.215 173 G HA3 -0.108 3.853 3.960 0.001 0.000 0.215 173 G C 0.280 175.214 174.900 0.058 0.000 1.201 173 G CA 1.050 46.181 45.100 0.051 0.000 0.784 173 G HN 0.726 nan 8.290 nan 0.000 0.545 174 D N -0.937 119.514 120.400 0.084 0.000 2.419 174 D HA 0.260 4.900 4.640 0.001 0.000 0.219 174 D C -0.734 175.636 176.300 0.116 0.000 1.349 174 D CA -0.558 53.495 54.000 0.088 0.000 0.964 174 D CB 1.154 42.012 40.800 0.096 0.000 1.463 174 D HN 0.034 nan 8.370 nan 0.000 0.573 175 V N 3.020 122.977 119.914 0.072 0.000 2.614 175 V HA 0.320 4.441 4.120 0.001 0.000 0.291 175 V C 0.545 176.658 176.094 0.033 0.000 1.049 175 V CA -0.060 62.276 62.300 0.061 0.000 1.038 175 V CB 1.337 33.176 31.823 0.028 0.000 0.980 175 V HN 0.547 nan 8.190 nan 0.000 0.481 176 Q N 3.747 123.560 119.800 0.020 0.000 2.235 176 Q HA 0.513 4.853 4.340 0.001 0.000 0.256 176 Q C -1.189 174.764 176.000 -0.080 0.000 0.951 176 Q CA -0.392 55.347 55.803 -0.107 0.000 0.890 176 Q CB 1.581 30.182 28.738 -0.228 0.000 1.279 176 Q HN 0.610 nan 8.270 nan 0.000 0.444 177 L N 4.957 126.066 121.223 -0.191 0.000 2.349 177 L HA 0.483 4.823 4.340 0.001 0.000 0.278 177 L C -1.465 175.309 176.870 -0.159 0.000 0.996 177 L CA -0.504 54.294 54.840 -0.069 0.000 0.825 177 L CB 0.693 42.705 42.059 -0.077 0.000 1.243 177 L HN 0.725 nan 8.230 nan 0.000 0.412 178 F N 5.164 125.066 119.950 -0.080 0.000 2.451 178 F HA 0.584 5.112 4.527 0.001 0.000 0.356 178 F C 1.101 176.869 175.800 -0.052 0.000 1.178 178 F CA 0.491 58.470 58.000 -0.036 0.000 1.210 178 F CB 0.507 39.562 39.000 0.092 0.000 1.504 178 F HN 0.729 nan 8.300 nan 0.000 0.598 179 G N 0.600 109.394 108.800 -0.011 0.000 2.250 179 G HA2 0.205 4.166 3.960 0.001 0.000 0.189 179 G HA3 0.205 4.166 3.960 0.001 0.000 0.189 179 G C -0.961 173.875 174.900 -0.106 0.000 1.298 179 G CA -0.374 44.697 45.100 -0.048 0.000 1.246 179 G HN 0.560 nan 8.290 nan 0.000 0.513 180 S N -1.097 114.529 115.700 -0.123 0.000 2.567 180 S HA 0.564 5.034 4.470 0.001 0.000 0.270 180 S C -0.613 173.911 174.600 -0.127 0.000 1.152 180 S CA 0.226 58.349 58.200 -0.127 0.000 0.835 180 S CB 1.664 64.769 63.200 -0.159 0.000 1.115 180 S HN 0.940 nan 8.310 nan 0.000 0.459 181 Q N 1.354 121.108 119.800 -0.076 0.000 2.454 181 Q HA 0.261 4.601 4.340 0.001 0.000 0.247 181 Q C -0.973 175.047 176.000 0.034 0.000 1.028 181 Q CA -0.110 55.664 55.803 -0.049 0.000 0.910 181 Q CB 0.282 29.022 28.738 0.004 0.000 1.276 181 Q HN 0.642 nan 8.270 nan 0.000 0.489 182 Y N 0.426 120.740 120.300 0.025 0.000 2.426 182 Y HA 0.339 4.890 4.550 0.001 0.000 0.344 182 Y C 0.167 176.127 175.900 0.100 0.000 1.256 182 Y CA 0.011 58.141 58.100 0.049 0.000 1.451 182 Y CB 0.957 39.464 38.460 0.078 0.000 1.342 182 Y HN 0.669 nan 8.280 nan 0.000 0.600 183 A N 2.653 125.644 122.820 0.285 0.000 2.555 183 A HA 0.454 4.775 4.320 0.001 0.000 0.297 183 A C -1.072 176.475 177.584 -0.062 0.000 1.060 183 A CA -0.982 51.179 52.037 0.206 0.000 0.710 183 A CB 0.826 19.968 19.000 0.237 0.000 1.282 183 A HN 0.655 nan 8.150 nan 0.000 0.399 184 M N 2.082 121.444 119.600 -0.397 0.000 2.802 184 M HA 0.206 4.686 4.480 0.001 0.000 0.335 184 M C 0.220 176.144 176.300 -0.628 0.000 1.744 184 M CA 0.570 55.345 55.300 -0.875 0.000 1.363 184 M CB -0.935 30.520 32.600 -1.907 0.000 1.965 184 M HN 0.569 nan 8.290 nan 0.000 0.460 185 R N 4.365 124.577 120.500 -0.480 0.000 2.404 185 R HA 0.691 5.032 4.340 0.001 0.000 0.291 185 R C -1.187 174.677 176.300 -0.726 0.000 1.025 185 R CA -0.088 55.673 56.100 -0.565 0.000 0.991 185 R CB 0.739 30.759 30.300 -0.466 0.000 1.053 185 R HN 0.768 nan 8.270 nan 0.000 0.479 186 I N 3.194 123.258 120.570 -0.842 0.000 2.478 186 I HA 0.265 4.435 4.170 0.001 0.000 0.287 186 I C -0.921 174.829 176.117 -0.612 0.000 1.042 186 I CA -0.544 60.394 61.300 -0.603 0.000 1.067 186 I CB 1.891 39.696 38.000 -0.325 0.000 1.233 186 I HN 0.571 nan 8.210 nan 0.000 0.431 187 W N 7.008 128.290 121.300 -0.030 0.000 2.243 187 W HA 0.491 5.151 4.660 0.001 0.000 0.331 187 W C 0.155 176.664 176.519 -0.017 0.000 0.895 187 W CA -0.771 56.562 57.345 -0.019 0.000 1.580 187 W CB 0.524 29.966 29.460 -0.030 0.000 1.568 187 W HN 0.229 nan 8.180 nan 0.000 0.372 188 M N 2.763 122.465 119.600 0.171 0.000 2.235 188 M HA -0.106 4.375 4.480 0.001 0.000 0.336 188 M C 0.535 176.849 176.300 0.024 0.000 1.146 188 M CA 1.135 56.505 55.300 0.115 0.000 1.018 188 M CB 0.206 32.918 32.600 0.187 0.000 1.694 188 M HN 0.295 nan 8.290 nan 0.000 0.451 189 N N 3.423 122.039 118.700 -0.140 0.000 2.372 189 N HA 0.332 5.073 4.740 0.001 0.000 0.285 189 N C -2.273 172.906 175.510 -0.552 0.000 1.008 189 N CA -1.679 51.076 53.050 -0.492 0.000 0.880 189 N CB 2.093 40.358 38.487 -0.372 0.000 1.239 189 N HN 0.227 nan 8.380 nan 0.000 0.484 190 P HA 0.057 nan 4.420 nan 0.000 0.218 190 P C 0.746 177.801 177.300 -0.407 0.000 1.152 190 P CA 0.812 63.401 63.100 -0.851 0.000 0.826 190 P CB 0.607 31.354 31.700 -1.589 0.000 0.790 191 N N 0.014 118.470 118.700 -0.406 0.000 2.084 191 N HA -0.141 4.600 4.740 0.001 0.000 0.190 191 N C 1.604 177.105 175.510 -0.014 0.000 1.030 191 N CA 1.134 54.114 53.050 -0.117 0.000 0.849 191 N CB -0.764 37.682 38.487 -0.068 0.000 1.012 191 N HN 0.180 nan 8.380 nan 0.000 0.423 192 E N 0.482 120.647 120.200 -0.058 0.000 2.268 192 E HA -0.037 4.314 4.350 0.001 0.000 0.195 192 E C 2.082 178.755 176.600 0.122 0.000 0.995 192 E CA 0.252 56.688 56.400 0.061 0.000 0.836 192 E CB -0.039 29.640 29.700 -0.035 0.000 0.763 192 E HN 0.400 nan 8.360 nan 0.000 0.491 193 L N 0.974 122.228 121.223 0.052 0.000 2.072 193 L HA -0.102 4.239 4.340 0.001 0.000 0.205 193 L C 2.448 179.432 176.870 0.189 0.000 1.079 193 L CA 0.966 55.870 54.840 0.108 0.000 0.752 193 L CB -0.393 41.729 42.059 0.104 0.000 0.906 193 L HN 0.147 nan 8.230 nan 0.000 0.436 194 N N 0.644 119.460 118.700 0.194 0.000 2.331 194 N HA -0.231 4.510 4.740 0.001 0.000 0.180 194 N C 1.903 177.492 175.510 0.132 0.000 1.019 194 N CA 0.757 53.927 53.050 0.200 0.000 0.881 194 N CB 0.177 38.858 38.487 0.323 0.000 0.972 194 N HN 0.230 nan 8.380 nan 0.000 0.435 195 K N -0.449 120.047 120.400 0.160 0.000 2.209 195 K HA -0.093 4.227 4.320 0.001 0.000 0.204 195 K C 0.484 177.065 176.600 -0.031 0.000 1.048 195 K CA 1.197 57.533 56.287 0.080 0.000 0.940 195 K CB -0.005 32.583 32.500 0.146 0.000 0.729 195 K HN 0.134 nan 8.250 nan 0.000 0.451 196 F N 0.844 120.802 119.950 0.013 0.000 2.682 196 F HA 0.261 4.789 4.527 0.001 0.000 0.308 196 F C -0.578 175.235 175.800 0.022 0.000 1.093 196 F CA -0.322 57.686 58.000 0.013 0.000 1.244 196 F CB 0.397 39.404 39.000 0.013 0.000 1.052 196 F HN -0.039 nan 8.300 nan 0.000 0.573 197 Q N 1.316 121.225 119.800 0.181 0.000 2.401 197 Q HA -0.121 4.219 4.340 0.001 0.000 0.344 197 Q C -1.131 174.953 176.000 0.141 0.000 1.395 197 Q CA 0.268 56.149 55.803 0.129 0.000 0.889 197 Q CB -1.475 27.310 28.738 0.078 0.000 1.081 197 Q HN 0.399 nan 8.270 nan 0.000 0.325 198 L N 0.094 121.409 121.223 0.153 0.000 2.720 198 L HA 0.726 5.067 4.340 0.001 0.000 0.261 198 L C -0.083 176.880 176.870 0.155 0.000 1.046 198 L CA -0.714 54.206 54.840 0.133 0.000 0.886 198 L CB 2.548 44.673 42.059 0.110 0.000 1.493 198 L HN 0.489 nan 8.230 nan 0.000 0.407 199 T N -3.528 111.107 114.554 0.136 0.000 2.887 199 T HA 0.452 4.802 4.350 0.001 0.000 0.292 199 T C -2.546 172.229 174.700 0.124 0.000 1.087 199 T CA -1.714 60.482 62.100 0.159 0.000 1.009 199 T CB 1.937 70.893 68.868 0.145 0.000 1.203 199 T HN 0.262 nan 8.240 nan 0.000 0.518 200 P HA 0.041 nan 4.420 nan 0.000 0.225 200 P C 1.405 178.736 177.300 0.051 0.000 1.148 200 P CA 0.240 63.387 63.100 0.078 0.000 0.779 200 P CB -0.132 31.595 31.700 0.046 0.000 0.780 201 V N 0.025 119.974 119.914 0.058 0.000 2.591 201 V HA -0.158 3.962 4.120 0.001 0.000 0.249 201 V C 1.879 177.995 176.094 0.036 0.000 1.053 201 V CA 1.699 64.024 62.300 0.042 0.000 1.068 201 V CB -0.961 30.889 31.823 0.045 0.000 0.689 201 V HN 0.175 nan 8.190 nan 0.000 0.462 202 D N 0.289 120.714 120.400 0.043 0.000 2.234 202 D HA -0.068 4.572 4.640 0.001 0.000 0.205 202 D C 2.100 178.412 176.300 0.020 0.000 0.962 202 D CA 1.081 55.101 54.000 0.033 0.000 0.855 202 D CB 0.375 41.200 40.800 0.042 0.000 0.951 202 D HN 0.393 nan 8.370 nan 0.000 0.500 203 V N 1.123 121.050 119.914 0.022 0.000 2.488 203 V HA -0.118 4.003 4.120 0.001 0.000 0.246 203 V C 2.455 178.551 176.094 0.003 0.000 1.046 203 V CA 0.696 63.001 62.300 0.008 0.000 1.053 203 V CB -0.114 31.716 31.823 0.012 0.000 0.679 203 V HN 0.101 nan 8.190 nan 0.000 0.458 204 I N 0.393 120.968 120.570 0.007 0.000 2.252 204 I HA -0.201 3.969 4.170 0.001 0.000 0.245 204 I C 2.506 178.622 176.117 -0.001 0.000 1.102 204 I CA 1.683 62.984 61.300 0.001 0.000 1.385 204 I CB -0.367 37.638 38.000 0.009 0.000 1.064 204 I HN 0.285 nan 8.210 nan 0.000 0.414 205 T N 0.516 115.072 114.554 0.004 0.000 2.915 205 T HA -0.068 4.282 4.350 0.001 0.000 0.269 205 T C 1.953 176.648 174.700 -0.008 0.000 1.071 205 T CA 1.174 63.274 62.100 0.001 0.000 1.132 205 T CB -0.180 68.692 68.868 0.006 0.000 0.878 205 T HN 0.444 nan 8.240 nan 0.000 0.479 206 A N 1.140 123.954 122.820 -0.011 0.000 1.969 206 A HA 0.089 4.409 4.320 0.001 0.000 0.218 206 A C 2.145 179.706 177.584 -0.039 0.000 1.169 206 A CA 0.907 52.930 52.037 -0.024 0.000 0.635 206 A CB -0.536 18.450 19.000 -0.024 0.000 0.810 206 A HN 0.553 nan 8.150 nan 0.000 0.445 207 I N -1.124 119.430 120.570 -0.027 0.000 3.030 207 I HA -0.042 4.128 4.170 0.001 0.000 0.270 207 I C 0.604 176.704 176.117 -0.029 0.000 1.211 207 I CA 0.571 61.854 61.300 -0.028 0.000 1.479 207 I CB -0.056 37.960 38.000 0.028 0.000 1.105 207 I HN 0.081 nan 8.210 nan 0.000 0.447 208 K N 1.883 122.271 120.400 -0.021 0.000 3.001 208 K HA 0.456 4.777 4.320 0.001 0.000 0.257 208 K C 0.302 176.891 176.600 -0.019 0.000 1.290 208 K CA 0.144 56.421 56.287 -0.016 0.000 1.252 208 K CB 0.791 33.288 32.500 -0.006 0.000 1.656 208 K HN 0.289 nan 8.250 nan 0.000 0.351 209 A N -0.138 122.664 122.820 -0.031 0.000 1.920 209 A HA -0.050 4.271 4.320 0.001 0.000 0.204 209 A C 1.426 178.980 177.584 -0.049 0.000 1.850 209 A CA -0.204 51.814 52.037 -0.033 0.000 1.593 209 A CB 0.022 19.005 19.000 -0.028 0.000 1.470 209 A HN 0.293 nan 8.150 nan 0.000 0.377 210 Q N -0.267 119.490 119.800 -0.072 0.000 2.204 210 Q HA 0.057 4.398 4.340 0.001 0.000 0.198 210 Q C 0.378 176.297 176.000 -0.136 0.000 0.946 210 Q CA 0.961 56.703 55.803 -0.102 0.000 0.859 210 Q CB 0.130 28.794 28.738 -0.124 0.000 0.946 210 Q HN 0.514 nan 8.270 nan 0.000 0.474 211 N N 0.862 119.470 118.700 -0.153 0.000 2.868 211 N HA 0.343 5.083 4.740 0.001 0.000 0.252 211 N C -1.637 173.842 175.510 -0.053 0.000 1.130 211 N CA -0.038 52.919 53.050 -0.156 0.000 1.026 211 N CB 0.418 38.782 38.487 -0.205 0.000 1.335 211 N HN 0.191 nan 8.380 nan 0.000 0.516 212 A N 1.854 124.649 122.820 -0.042 0.000 2.597 212 A HA 0.466 4.787 4.320 0.001 0.000 0.292 212 A C -1.490 176.086 177.584 -0.013 0.000 1.057 212 A CA -0.811 51.218 52.037 -0.014 0.000 0.674 212 A CB 1.211 20.202 19.000 -0.015 0.000 1.278 212 A HN 0.427 nan 8.150 nan 0.000 0.416 213 Q N 0.520 120.319 119.800 -0.003 0.000 2.333 213 Q HA 0.618 4.958 4.340 0.001 0.000 0.267 213 Q C -1.126 174.871 176.000 -0.004 0.000 1.012 213 Q CA -0.703 55.098 55.803 -0.004 0.000 0.824 213 Q CB 2.348 31.086 28.738 0.001 0.000 1.290 213 Q HN 0.602 nan 8.270 nan 0.000 0.449 214 V N 0.698 120.608 119.914 -0.007 0.000 2.715 214 V HA 0.601 4.721 4.120 0.001 0.000 0.310 214 V C -0.306 175.785 176.094 -0.005 0.000 1.054 214 V CA -1.099 61.197 62.300 -0.006 0.000 0.928 214 V CB 1.760 33.578 31.823 -0.008 0.000 1.007 214 V HN 0.851 nan 8.190 nan 0.000 0.437 215 A N 2.663 125.481 122.820 -0.004 0.000 2.376 215 A HA 0.721 5.042 4.320 0.001 0.000 0.298 215 A C 0.390 177.971 177.584 -0.004 0.000 1.271 215 A CA 0.073 52.108 52.037 -0.004 0.000 0.926 215 A CB -0.161 18.837 19.000 -0.003 0.000 1.141 215 A HN 1.402 nan 8.150 nan 0.000 0.539 216 A N 3.493 126.310 122.820 -0.005 0.000 2.267 216 A HA 0.630 4.950 4.320 0.001 0.000 0.315 216 A C 1.164 178.745 177.584 -0.004 0.000 1.297 216 A CA 0.026 52.060 52.037 -0.005 0.000 0.865 216 A CB 0.116 19.113 19.000 -0.006 0.000 1.165 216 A HN 1.541 nan 8.150 nan 0.000 0.513 217 G N 1.761 110.559 108.800 -0.004 0.000 2.056 217 G HA2 0.158 4.118 3.960 0.001 0.000 0.212 217 G HA3 0.158 4.118 3.960 0.001 0.000 0.212 217 G C 0.345 175.243 174.900 -0.003 0.000 1.341 217 G CA 1.376 46.474 45.100 -0.003 0.000 1.022 217 G HN 1.437 nan 8.290 nan 0.000 0.460 218 Q N -2.029 117.769 119.800 -0.003 0.000 2.617 218 Q HA 0.433 4.774 4.340 0.001 0.000 0.270 218 Q C -1.190 174.809 176.000 -0.003 0.000 0.967 218 Q CA -0.940 54.862 55.803 -0.003 0.000 0.887 218 Q CB 0.726 29.462 28.738 -0.003 0.000 1.516 218 Q HN 0.419 nan 8.270 nan 0.000 0.395 219 L N 1.411 122.633 121.223 -0.003 0.000 2.456 219 L HA 0.454 4.794 4.340 0.001 0.000 0.272 219 L C 1.045 177.913 176.870 -0.002 0.000 1.189 219 L CA 0.872 55.710 54.840 -0.003 0.000 0.846 219 L CB -0.042 42.015 42.059 -0.002 0.000 1.111 219 L HN 1.090 nan 8.230 nan 0.000 0.475 220 G N 2.528 111.327 108.800 -0.002 0.000 2.370 220 G HA2 -0.145 3.816 3.960 0.001 0.000 0.295 220 G HA3 -0.145 3.816 3.960 0.001 0.000 0.295 220 G C 0.498 175.397 174.900 -0.002 0.000 1.045 220 G CA -0.068 45.031 45.100 -0.002 0.000 1.199 220 G HN 1.111 nan 8.290 nan 0.000 0.513 221 G N -0.198 108.600 108.800 -0.002 0.000 2.712 221 G HA2 0.437 4.398 3.960 0.001 0.000 0.258 221 G HA3 0.437 4.398 3.960 0.001 0.000 0.258 221 G C 1.322 176.221 174.900 -0.002 0.000 1.241 221 G CA 0.768 45.867 45.100 -0.002 0.000 0.923 221 G HN 0.629 nan 8.290 nan 0.000 0.548 222 T N 1.259 115.812 114.554 -0.002 0.000 2.597 222 T HA -0.084 4.267 4.350 0.001 0.000 0.267 222 T C -1.112 173.587 174.700 -0.002 0.000 1.053 222 T CA 1.730 63.829 62.100 -0.002 0.000 1.165 222 T CB -0.718 68.148 68.868 -0.002 0.000 0.863 222 T HN 0.482 nan 8.240 nan 0.000 0.427 223 P HA 0.421 nan 4.420 nan 0.000 0.294 223 P C -2.538 174.761 177.300 -0.002 0.000 1.389 223 P CA -1.494 61.605 63.100 -0.002 0.000 0.875 223 P CB 1.306 33.005 31.700 -0.002 0.000 1.018 224 P HA 0.295 nan 4.420 nan 0.000 0.310 224 P C -0.783 176.516 177.300 -0.001 0.000 1.309 224 P CA -0.647 62.452 63.100 -0.002 0.000 0.769 224 P CB 0.735 32.434 31.700 -0.002 0.000 1.327 225 V N -2.032 117.881 119.914 -0.001 0.000 2.370 225 V HA 0.358 4.478 4.120 0.001 0.000 0.279 225 V C 0.106 176.199 176.094 -0.001 0.000 1.029 225 V CA -1.181 61.118 62.300 -0.001 0.000 0.870 225 V CB 0.043 31.865 31.823 -0.001 0.000 0.984 225 V HN 0.383 nan 8.190 nan 0.000 0.451 226 K N 4.032 124.431 120.400 -0.001 0.000 2.367 226 K HA 0.486 4.807 4.320 0.001 0.000 0.275 226 K C 1.067 177.666 176.600 -0.001 0.000 1.125 226 K CA 0.683 56.970 56.287 -0.001 0.000 1.133 226 K CB -0.292 32.207 32.500 -0.001 0.000 0.875 226 K HN 1.255 nan 8.250 nan 0.000 0.467 227 G N 1.649 110.449 108.800 -0.001 0.000 2.977 227 G HA2 -0.217 3.743 3.960 0.001 0.000 0.211 227 G HA3 -0.217 3.743 3.960 0.001 0.000 0.211 227 G C -0.264 174.636 174.900 -0.001 0.000 0.994 227 G CA -0.583 44.516 45.100 -0.001 0.000 0.795 227 G HN 0.541 nan 8.290 nan 0.000 0.518 228 Q N 0.519 120.318 119.800 -0.001 0.000 2.352 228 Q HA 0.632 4.973 4.340 0.001 0.000 0.260 228 Q C 1.210 177.210 176.000 -0.001 0.000 0.976 228 Q CA 0.516 56.318 55.803 -0.001 0.000 0.881 228 Q CB 1.250 29.987 28.738 -0.001 0.000 1.235 228 Q HN 0.232 nan 8.270 nan 0.000 0.419 229 Q N 1.958 121.758 119.800 -0.001 0.000 2.378 229 Q HA 0.339 4.679 4.340 0.001 0.000 0.229 229 Q C -0.568 175.432 176.000 -0.001 0.000 0.882 229 Q CA 0.199 56.002 55.803 -0.001 0.000 0.936 229 Q CB 0.500 29.238 28.738 -0.001 0.000 1.092 229 Q HN 0.694 nan 8.270 nan 0.000 0.535 230 L N -0.150 121.072 121.223 -0.001 0.000 2.331 230 L HA 0.586 4.927 4.340 0.001 0.000 0.275 230 L C -1.020 175.849 176.870 -0.002 0.000 1.022 230 L CA -0.500 54.340 54.840 -0.001 0.000 0.812 230 L CB 1.674 43.732 42.059 -0.001 0.000 1.257 230 L HN 0.006 nan 8.230 nan 0.000 0.435 231 N N 3.756 122.455 118.700 -0.002 0.000 2.629 231 N HA 0.604 5.344 4.740 0.001 0.000 0.277 231 N C -1.941 173.568 175.510 -0.002 0.000 1.188 231 N CA -0.237 52.812 53.050 -0.002 0.000 0.835 231 N CB 1.818 40.304 38.487 -0.002 0.000 1.420 231 N HN 0.921 nan 8.380 nan 0.000 0.542 232 A N 1.804 124.623 122.820 -0.002 0.000 2.475 232 A HA 0.616 4.936 4.320 0.001 0.000 0.301 232 A C -0.324 177.259 177.584 -0.003 0.000 1.059 232 A CA -0.618 51.418 52.037 -0.002 0.000 0.710 232 A CB 1.347 20.346 19.000 -0.002 0.000 1.288 232 A HN 0.571 nan 8.150 nan 0.000 0.408 233 S N 1.283 116.981 115.700 -0.003 0.000 2.565 233 S HA 0.656 5.126 4.470 0.001 0.000 0.274 233 S C -0.030 174.568 174.600 -0.004 0.000 1.309 233 S CA -0.362 57.836 58.200 -0.003 0.000 1.043 233 S CB 0.243 63.441 63.200 -0.003 0.000 0.939 233 S HN 0.508 nan 8.310 nan 0.000 0.504 234 I N 2.301 122.868 120.570 -0.004 0.000 2.532 234 I HA 0.304 4.474 4.170 0.001 0.000 0.292 234 I C -0.102 176.012 176.117 -0.005 0.000 1.014 234 I CA -0.856 60.441 61.300 -0.005 0.000 1.340 234 I CB 0.683 38.680 38.000 -0.005 0.000 1.422 234 I HN 0.478 nan 8.210 nan 0.000 0.528 235 I N 3.715 124.281 120.570 -0.006 0.000 2.460 235 I HA 0.565 4.735 4.170 0.001 0.000 0.298 235 I C 0.540 176.652 176.117 -0.008 0.000 0.989 235 I CA -0.246 61.050 61.300 -0.007 0.000 1.173 235 I CB 1.253 39.249 38.000 -0.007 0.000 1.338 235 I HN 0.704 nan 8.210 nan 0.000 0.456 236 A N 5.644 128.459 122.820 -0.009 0.000 3.837 236 A HA 0.529 4.849 4.320 0.001 0.000 0.159 236 A C 0.062 177.637 177.584 -0.015 0.000 1.157 236 A CA -0.417 51.613 52.037 -0.011 0.000 0.890 236 A CB 0.301 19.295 19.000 -0.010 0.000 1.553 236 A HN 0.672 nan 8.150 nan 0.000 0.642 237 Q N -0.238 119.551 119.800 -0.018 0.000 2.454 237 Q HA 0.394 4.735 4.340 0.001 0.000 0.247 237 Q C -0.821 175.166 176.000 -0.021 0.000 1.028 237 Q CA 0.434 56.222 55.803 -0.024 0.000 0.910 237 Q CB 0.494 29.214 28.738 -0.030 0.000 1.276 237 Q HN 0.583 nan 8.270 nan 0.000 0.489 238 T N 1.312 115.850 114.554 -0.026 0.000 2.887 238 T HA 0.330 4.681 4.350 0.001 0.000 0.288 238 T C -0.507 174.181 174.700 -0.020 0.000 1.021 238 T CA -0.729 61.360 62.100 -0.018 0.000 1.000 238 T CB 1.032 69.891 68.868 -0.014 0.000 1.034 238 T HN 0.367 nan 8.240 nan 0.000 0.467 239 R N 2.352 122.854 120.500 0.004 0.000 2.449 239 R HA 0.205 4.545 4.340 0.001 0.000 0.296 239 R C 0.115 176.452 176.300 0.062 0.000 1.047 239 R CA -0.602 55.520 56.100 0.035 0.000 1.018 239 R CB 0.188 30.525 30.300 0.063 0.000 0.962 239 R HN 0.360 nan 8.270 nan 0.000 0.428 240 L N 2.521 123.765 121.223 0.035 0.000 2.499 240 L HA -0.072 4.269 4.340 0.001 0.000 0.281 240 L C 1.382 178.431 176.870 0.299 0.000 1.234 240 L CA 1.097 55.955 54.840 0.030 0.000 0.839 240 L CB 0.726 42.563 42.059 -0.370 0.000 1.104 240 L HN 0.795 nan 8.230 nan 0.000 0.500 241 T N 0.233 114.925 114.554 0.229 0.000 3.111 241 T HA 0.082 4.433 4.350 0.001 0.000 0.236 241 T C 0.793 175.686 174.700 0.321 0.000 0.984 241 T CA 0.137 62.383 62.100 0.243 0.000 1.195 241 T CB 0.328 69.264 68.868 0.113 0.000 0.929 241 T HN 0.591 nan 8.240 nan 0.000 0.431 242 S N 0.849 116.687 115.700 0.231 0.000 2.722 242 S HA 0.355 4.825 4.470 0.001 0.000 0.292 242 S C 1.297 176.015 174.600 0.197 0.000 1.135 242 S CA -0.546 57.762 58.200 0.181 0.000 1.003 242 S CB 1.499 64.760 63.200 0.100 0.000 1.067 242 S HN 0.313 nan 8.310 nan 0.000 0.546 243 T N 0.144 114.754 114.554 0.094 0.000 2.833 243 T HA -0.149 4.202 4.350 0.001 0.000 0.269 243 T C 1.563 176.307 174.700 0.073 0.000 1.054 243 T CA 1.823 63.947 62.100 0.040 0.000 1.135 243 T CB -0.387 68.463 68.868 -0.030 0.000 0.869 243 T HN 0.697 nan 8.240 nan 0.000 0.466 244 E N 0.144 120.380 120.200 0.060 0.000 2.110 244 E HA -0.152 4.199 4.350 0.001 0.000 0.193 244 E C 1.987 178.609 176.600 0.037 0.000 0.988 244 E CA 1.323 57.747 56.400 0.039 0.000 0.804 244 E CB -0.040 29.677 29.700 0.028 0.000 0.745 244 E HN 0.702 nan 8.360 nan 0.000 0.458 245 E N -0.633 119.596 120.200 0.048 0.000 2.216 245 E HA -0.113 4.238 4.350 0.001 0.000 0.192 245 E C 1.680 178.226 176.600 -0.090 0.000 0.988 245 E CA 0.453 56.840 56.400 -0.023 0.000 0.834 245 E CB -0.076 29.601 29.700 -0.039 0.000 0.772 245 E HN 0.321 nan 8.360 nan 0.000 0.479 246 F N 0.890 120.794 119.950 -0.078 0.000 2.558 246 F HA 0.061 4.589 4.527 0.001 0.000 0.298 246 F C 2.315 178.056 175.800 -0.099 0.000 1.119 246 F CA 0.808 58.741 58.000 -0.112 0.000 1.451 246 F CB 0.105 38.998 39.000 -0.180 0.000 1.091 246 F HN 0.044 nan 8.300 nan 0.000 0.563 247 G N -0.475 108.369 108.800 0.073 0.000 2.511 247 G HA2 -0.136 3.825 3.960 0.001 0.000 0.217 247 G HA3 -0.136 3.825 3.960 0.001 0.000 0.217 247 G C 1.147 176.037 174.900 -0.017 0.000 1.133 247 G CA 0.055 45.165 45.100 0.017 0.000 0.792 247 G HN 0.223 nan 8.290 nan 0.000 0.539 248 K N 1.015 121.394 120.400 -0.034 0.000 2.969 248 K HA 0.281 4.601 4.320 0.001 0.000 0.222 248 K C -0.495 176.062 176.600 -0.072 0.000 1.172 248 K CA -0.348 55.910 56.287 -0.048 0.000 1.192 248 K CB 0.581 33.055 32.500 -0.044 0.000 1.111 248 K HN 0.143 nan 8.250 nan 0.000 0.457 249 I N 2.205 122.730 120.570 -0.075 0.000 2.312 249 I HA 0.079 4.249 4.170 0.001 0.000 0.291 249 I C 0.018 176.097 176.117 -0.062 0.000 1.031 249 I CA -1.005 60.243 61.300 -0.086 0.000 1.293 249 I CB 0.617 38.564 38.000 -0.088 0.000 1.403 249 I HN 0.120 nan 8.210 nan 0.000 0.484 250 L N 8.011 129.201 121.223 -0.055 0.000 2.454 250 L HA 0.162 4.503 4.340 0.001 0.000 0.284 250 L C 0.796 177.647 176.870 -0.033 0.000 1.139 250 L CA 0.585 55.402 54.840 -0.040 0.000 0.911 250 L CB 0.063 42.104 42.059 -0.030 0.000 1.262 250 L HN 0.540 nan 8.230 nan 0.000 0.453 251 L N 3.077 124.279 121.223 -0.036 0.000 2.068 251 L HA 0.071 4.412 4.340 0.001 0.000 0.204 251 L C 1.005 177.874 176.870 -0.002 0.000 1.076 251 L CA 0.903 55.729 54.840 -0.024 0.000 0.753 251 L CB -0.213 41.820 42.059 -0.043 0.000 0.910 251 L HN 0.583 nan 8.230 nan 0.000 0.439 252 K N -1.076 119.328 120.400 0.006 0.000 2.548 252 K HA 0.504 4.825 4.320 0.001 0.000 0.282 252 K C -1.766 174.860 176.600 0.043 0.000 1.006 252 K CA -0.655 55.653 56.287 0.035 0.000 0.892 252 K CB 2.436 34.977 32.500 0.068 0.000 1.499 252 K HN -0.231 nan 8.250 nan 0.000 0.433 253 V N 0.606 120.550 119.914 0.049 0.000 2.445 253 V HA 0.471 4.591 4.120 0.001 0.000 0.283 253 V C -0.905 175.221 176.094 0.053 0.000 1.014 253 V CA -1.132 61.198 62.300 0.051 0.000 0.852 253 V CB 0.883 32.724 31.823 0.030 0.000 1.021 253 V HN 0.657 nan 8.190 nan 0.000 0.435 254 N N 3.358 122.101 118.700 0.072 0.000 2.479 254 N HA 0.201 4.941 4.740 0.001 0.000 0.257 254 N C 1.347 176.873 175.510 0.026 0.000 1.232 254 N CA 0.265 53.345 53.050 0.050 0.000 0.920 254 N CB 0.964 39.478 38.487 0.045 0.000 1.105 254 N HN 0.888 nan 8.380 nan 0.000 0.444 255 Q N 1.021 120.830 119.800 0.014 0.000 2.263 255 Q HA -0.345 3.996 4.340 0.001 0.000 0.221 255 Q C 0.299 176.303 176.000 0.006 0.000 1.071 255 Q CA 2.374 58.181 55.803 0.006 0.000 0.966 255 Q CB -0.820 27.917 28.738 -0.002 0.000 1.094 255 Q HN 0.817 nan 8.270 nan 0.000 0.454 256 D N -0.093 120.309 120.400 0.004 0.000 2.676 256 D HA 0.173 4.813 4.640 0.001 0.000 0.239 256 D C 0.706 177.013 176.300 0.012 0.000 1.213 256 D CA 0.333 54.336 54.000 0.004 0.000 0.835 256 D CB -0.682 40.117 40.800 -0.002 0.000 1.009 256 D HN 0.583 nan 8.370 nan 0.000 0.479 257 G N 1.480 110.289 108.800 0.016 0.000 2.416 257 G HA2 -0.319 3.642 3.960 0.001 0.000 0.301 257 G HA3 -0.319 3.642 3.960 0.001 0.000 0.301 257 G C 0.331 175.248 174.900 0.028 0.000 0.985 257 G CA 0.710 45.822 45.100 0.020 0.000 0.934 257 G HN 0.702 nan 8.290 nan 0.000 0.513 258 S N -0.592 115.131 115.700 0.040 0.000 2.416 258 S HA 0.568 5.038 4.470 0.001 0.000 0.287 258 S C 0.464 175.112 174.600 0.080 0.000 1.139 258 S CA -0.770 57.465 58.200 0.059 0.000 1.058 258 S CB 1.387 64.628 63.200 0.068 0.000 0.967 258 S HN 0.452 nan 8.310 nan 0.000 0.495 259 R N 2.655 123.190 120.500 0.059 0.000 2.343 259 R HA 0.254 4.595 4.340 0.001 0.000 0.326 259 R C -0.710 175.617 176.300 0.046 0.000 1.055 259 R CA -0.256 55.870 56.100 0.043 0.000 0.961 259 R CB 0.406 30.718 30.300 0.019 0.000 0.978 259 R HN 0.589 nan 8.270 nan 0.000 0.443 260 V N 6.643 126.580 119.914 0.039 0.000 2.408 260 V HA 0.188 4.309 4.120 0.001 0.000 0.267 260 V C 0.562 176.603 176.094 -0.089 0.000 1.047 260 V CA -0.260 62.009 62.300 -0.052 0.000 0.937 260 V CB 0.593 32.380 31.823 -0.060 0.000 0.999 260 V HN 0.571 nan 8.190 nan 0.000 0.472 261 L N 4.164 125.316 121.223 -0.118 0.000 2.365 261 L HA 0.445 4.785 4.340 0.001 0.000 0.267 261 L C 1.095 177.891 176.870 -0.123 0.000 1.033 261 L CA -0.811 53.972 54.840 -0.094 0.000 0.802 261 L CB 0.870 42.890 42.059 -0.065 0.000 1.267 261 L HN 0.446 nan 8.230 nan 0.000 0.457 262 L N 0.974 122.147 121.223 -0.083 0.000 2.376 262 L HA -0.016 4.324 4.340 0.001 0.000 0.219 262 L C 2.494 179.323 176.870 -0.069 0.000 1.133 262 L CA 1.397 56.193 54.840 -0.073 0.000 0.816 262 L CB -0.905 41.133 42.059 -0.035 0.000 0.933 262 L HN 0.690 nan 8.230 nan 0.000 0.449 263 R N -0.714 119.749 120.500 -0.062 0.000 2.090 263 R HA -0.127 4.214 4.340 0.001 0.000 0.228 263 R C 1.379 177.638 176.300 -0.069 0.000 1.110 263 R CA 1.633 57.704 56.100 -0.047 0.000 0.973 263 R CB -0.387 29.895 30.300 -0.030 0.000 0.869 263 R HN 0.340 nan 8.270 nan 0.000 0.440 264 D N 0.881 121.211 120.400 -0.117 0.000 2.123 264 D HA -0.116 4.524 4.640 0.001 0.000 0.200 264 D C 1.931 178.111 176.300 -0.199 0.000 0.976 264 D CA 1.660 55.566 54.000 -0.157 0.000 0.831 264 D CB -0.009 40.644 40.800 -0.245 0.000 0.974 264 D HN 0.328 nan 8.370 nan 0.000 0.469 265 V N -2.100 117.670 119.914 -0.239 0.000 3.129 265 V HA 0.465 4.585 4.120 0.001 0.000 0.259 265 V C 0.710 176.737 176.094 -0.111 0.000 1.116 265 V CA 0.707 62.882 62.300 -0.208 0.000 1.127 265 V CB -0.449 31.246 31.823 -0.213 0.000 0.742 265 V HN 0.148 nan 8.190 nan 0.000 0.474 266 A N -0.372 122.403 122.820 -0.075 0.000 2.608 266 A HA 0.607 4.928 4.320 0.001 0.000 0.292 266 A C -0.657 176.931 177.584 0.006 0.000 1.066 266 A CA -0.694 51.328 52.037 -0.024 0.000 0.676 266 A CB 1.133 20.127 19.000 -0.010 0.000 1.277 266 A HN 0.299 nan 8.150 nan 0.000 0.413 267 K N 0.341 120.782 120.400 0.067 0.000 2.237 267 K HA 0.642 4.962 4.320 0.001 0.000 0.270 267 K C -1.192 175.443 176.600 0.060 0.000 1.015 267 K CA 0.014 56.360 56.287 0.098 0.000 0.949 267 K CB 0.316 32.932 32.500 0.194 0.000 0.976 267 K HN 0.506 nan 8.250 nan 0.000 0.472 268 I N 4.072 124.658 120.570 0.027 0.000 2.497 268 I HA 0.184 4.354 4.170 0.001 0.000 0.284 268 I C -1.043 175.050 176.117 -0.040 0.000 1.060 268 I CA -0.457 60.806 61.300 -0.060 0.000 1.071 268 I CB 1.753 39.715 38.000 -0.064 0.000 1.216 268 I HN 0.735 nan 8.210 nan 0.000 0.442 269 E N 6.079 126.243 120.200 -0.060 0.000 2.340 269 E HA 0.453 4.803 4.350 0.001 0.000 0.273 269 E C -1.441 175.086 176.600 -0.122 0.000 0.891 269 E CA -1.107 55.276 56.400 -0.030 0.000 0.757 269 E CB 2.777 32.541 29.700 0.107 0.000 1.231 269 E HN 0.287 nan 8.360 nan 0.000 0.439 270 L N 2.727 123.840 121.223 -0.182 0.000 2.385 270 L HA 0.491 4.831 4.340 0.001 0.000 0.285 270 L C -0.134 176.512 176.870 -0.373 0.000 1.125 270 L CA 0.575 55.217 54.840 -0.330 0.000 0.890 270 L CB 0.051 41.859 42.059 -0.419 0.000 1.251 270 L HN 0.767 nan 8.230 nan 0.000 0.445 271 G N 2.614 111.369 108.800 -0.076 0.000 3.013 271 G HA2 0.589 4.550 3.960 0.001 0.000 0.278 271 G HA3 0.589 4.550 3.960 0.001 0.000 0.278 271 G C -0.274 174.812 174.900 0.311 0.000 1.353 271 G CA -0.460 44.793 45.100 0.254 0.000 1.043 271 G HN 0.763 nan 8.290 nan 0.000 0.523 272 G N -1.217 107.653 108.800 0.117 0.000 2.484 272 G HA2 0.260 4.221 3.960 0.001 0.000 0.235 272 G HA3 0.260 4.221 3.960 0.001 0.000 0.235 272 G C 0.635 175.299 174.900 -0.392 0.000 1.282 272 G CA 0.288 45.156 45.100 -0.387 0.000 0.857 272 G HN 0.637 nan 8.290 nan 0.000 0.571 273 E N 0.439 120.511 120.200 -0.213 0.000 2.216 273 E HA -0.079 4.272 4.350 0.001 0.000 0.192 273 E C 0.374 176.825 176.600 -0.248 0.000 0.988 273 E CA 0.273 56.601 56.400 -0.120 0.000 0.834 273 E CB 0.101 29.821 29.700 0.032 0.000 0.772 273 E HN 0.505 nan 8.360 nan 0.000 0.479 274 N N -0.547 117.959 118.700 -0.324 0.000 2.599 274 N HA 0.016 4.757 4.740 0.001 0.000 0.283 274 N C -1.449 173.931 175.510 -0.217 0.000 1.160 274 N CA -0.267 52.660 53.050 -0.205 0.000 0.869 274 N CB 0.634 39.041 38.487 -0.133 0.000 1.448 274 N HN -0.025 nan 8.380 nan 0.000 0.535 275 Y N 1.304 121.609 120.300 0.008 0.000 2.596 275 Y HA 0.221 4.771 4.550 0.001 0.000 0.316 275 Y C 1.414 177.309 175.900 -0.008 0.000 1.156 275 Y CA -0.466 57.642 58.100 0.013 0.000 1.300 275 Y CB 0.189 38.669 38.460 0.033 0.000 1.130 275 Y HN 0.432 nan 8.280 nan 0.000 0.518 276 D N 0.972 121.420 120.400 0.080 0.000 2.120 276 D HA -0.010 4.631 4.640 0.001 0.000 0.202 276 D C 0.814 177.128 176.300 0.022 0.000 0.972 276 D CA 1.076 55.101 54.000 0.042 0.000 0.837 276 D CB 0.274 41.076 40.800 0.004 0.000 0.989 276 D HN 0.422 nan 8.370 nan 0.000 0.469 277 I N -0.626 119.938 120.570 -0.010 0.000 2.460 277 I HA 0.478 4.649 4.170 0.001 0.000 0.298 277 I C -0.356 175.766 176.117 0.008 0.000 0.989 277 I CA -1.092 60.203 61.300 -0.008 0.000 1.173 277 I CB 2.027 39.989 38.000 -0.064 0.000 1.338 277 I HN -0.178 nan 8.210 nan 0.000 0.456 278 I N 2.238 122.821 120.570 0.021 0.000 2.656 278 I HA 0.900 5.071 4.170 0.001 0.000 0.292 278 I C -0.806 175.301 176.117 -0.017 0.000 1.144 278 I CA -0.909 60.397 61.300 0.011 0.000 1.038 278 I CB 2.053 40.058 38.000 0.008 0.000 1.244 278 I HN 0.779 nan 8.210 nan 0.000 0.420 279 A N 4.175 126.964 122.820 -0.052 0.000 2.330 279 A HA 0.758 5.078 4.320 0.001 0.000 0.327 279 A C -0.642 176.772 177.584 -0.283 0.000 1.155 279 A CA -0.482 51.420 52.037 -0.224 0.000 0.803 279 A CB 1.113 19.979 19.000 -0.224 0.000 1.208 279 A HN 0.832 nan 8.150 nan 0.000 0.477 280 E N 1.560 121.527 120.200 -0.387 0.000 2.518 280 E HA 0.207 4.557 4.350 0.001 0.000 0.240 280 E C -1.495 174.953 176.600 -0.253 0.000 0.996 280 E CA -0.290 55.970 56.400 -0.235 0.000 0.768 280 E CB 1.247 30.868 29.700 -0.131 0.000 1.329 280 E HN 0.545 nan 8.360 nan 0.000 0.408 281 F N 3.635 123.379 119.950 -0.344 0.000 2.502 281 F HA 0.086 4.613 4.527 0.001 0.000 0.361 281 F C 0.090 175.869 175.800 -0.035 0.000 1.157 281 F CA -0.357 57.555 58.000 -0.147 0.000 1.096 281 F CB -0.498 38.508 39.000 0.011 0.000 1.141 281 F HN 0.457 nan 8.300 nan 0.000 0.579 282 N N 3.745 122.202 118.700 -0.405 0.000 2.735 282 N HA -0.187 4.554 4.740 0.001 0.000 0.248 282 N C 0.903 176.331 175.510 -0.136 0.000 1.083 282 N CA 1.170 54.022 53.050 -0.330 0.000 0.703 282 N CB -1.383 36.773 38.487 -0.552 0.000 1.005 282 N HN 1.128 nan 8.380 nan 0.000 0.550 283 G N -1.240 107.538 108.800 -0.037 0.000 2.363 283 G HA2 -0.418 3.543 3.960 0.001 0.000 0.238 283 G HA3 -0.418 3.543 3.960 0.001 0.000 0.238 283 G C 0.001 174.899 174.900 -0.003 0.000 1.062 283 G CA 0.476 45.601 45.100 0.041 0.000 0.629 283 G HN 0.714 nan 8.290 nan 0.000 0.514 284 Q N 2.138 121.927 119.800 -0.019 0.000 2.332 284 Q HA 0.447 4.787 4.340 0.001 0.000 0.263 284 Q C -2.306 173.703 176.000 0.015 0.000 0.979 284 Q CA -1.581 54.229 55.803 0.012 0.000 0.885 284 Q CB 0.941 29.704 28.738 0.043 0.000 1.218 284 Q HN 0.269 nan 8.270 nan 0.000 0.405 285 P HA 0.148 nan 4.420 nan 0.000 0.268 285 P C -1.462 175.839 177.300 0.003 0.000 1.205 285 P CA 0.182 63.278 63.100 -0.007 0.000 0.771 285 P CB 1.066 32.767 31.700 0.002 0.000 0.858 286 A N 1.462 124.268 122.820 -0.024 0.000 2.483 286 A HA 0.716 5.036 4.320 0.001 0.000 0.294 286 A C -1.287 176.289 177.584 -0.014 0.000 1.077 286 A CA -0.370 51.660 52.037 -0.013 0.000 0.633 286 A CB 0.909 19.926 19.000 0.028 0.000 1.318 286 A HN 0.434 nan 8.150 nan 0.000 0.455 287 S N -1.255 114.459 115.700 0.024 0.000 2.562 287 S HA 0.694 5.165 4.470 0.001 0.000 0.274 287 S C -0.129 174.501 174.600 0.050 0.000 1.160 287 S CA 0.479 58.728 58.200 0.082 0.000 0.933 287 S CB 1.047 64.268 63.200 0.035 0.000 1.100 287 S HN 2.290 nan 8.310 nan 0.000 0.468 288 G N 2.169 111.004 108.800 0.059 0.000 3.262 288 G HA2 0.783 4.744 3.960 0.001 0.000 0.229 288 G HA3 0.783 4.744 3.960 0.001 0.000 0.229 288 G C -1.724 173.119 174.900 -0.095 0.000 1.280 288 G CA -0.729 44.267 45.100 -0.173 0.000 0.951 288 G HN 0.742 nan 8.290 nan 0.000 0.589 289 L N 0.224 121.321 121.223 -0.210 0.000 2.438 289 L HA 0.579 4.920 4.340 0.001 0.000 0.270 289 L C 0.067 176.883 176.870 -0.091 0.000 0.972 289 L CA -0.753 54.066 54.840 -0.034 0.000 0.831 289 L CB 2.607 44.633 42.059 -0.056 0.000 1.273 289 L HN 0.673 nan 8.230 nan 0.000 0.405 290 G N 4.165 113.027 108.800 0.104 0.000 3.288 290 G HA2 0.532 4.492 3.960 0.001 0.000 0.337 290 G HA3 0.532 4.492 3.960 0.001 0.000 0.337 290 G C -0.403 174.419 174.900 -0.131 0.000 1.142 290 G CA -0.277 44.698 45.100 -0.209 0.000 1.304 290 G HN 0.369 nan 8.290 nan 0.000 0.475 291 I N 1.872 122.449 120.570 0.013 0.000 2.471 291 I HA 0.216 4.387 4.170 0.001 0.000 0.286 291 I C 0.729 177.035 176.117 0.315 0.000 1.079 291 I CA -0.059 61.325 61.300 0.139 0.000 1.398 291 I CB 1.070 39.115 38.000 0.074 0.000 1.403 291 I HN 0.435 nan 8.210 nan 0.000 0.530 292 K N 6.936 127.545 120.400 0.348 0.000 2.156 292 K HA 0.600 4.920 4.320 0.001 0.000 0.250 292 K C -0.941 175.748 176.600 0.148 0.000 0.955 292 K CA -0.798 55.660 56.287 0.284 0.000 0.855 292 K CB 1.527 34.185 32.500 0.264 0.000 1.101 292 K HN 0.471 nan 8.250 nan 0.000 0.434 293 L N 1.678 122.962 121.223 0.102 0.000 2.453 293 L HA 0.307 4.647 4.340 0.001 0.000 0.261 293 L C -0.057 176.846 176.870 0.055 0.000 1.179 293 L CA -0.588 54.295 54.840 0.072 0.000 0.813 293 L CB 1.385 43.481 42.059 0.061 0.000 1.110 293 L HN 0.978 nan 8.230 nan 0.000 0.466 294 A N 1.659 124.504 122.820 0.042 0.000 2.391 294 A HA 0.304 4.625 4.320 0.001 0.000 0.316 294 A C 0.356 177.949 177.584 0.015 0.000 1.381 294 A CA -0.414 51.639 52.037 0.026 0.000 0.998 294 A CB -0.286 18.726 19.000 0.019 0.000 1.147 294 A HN 0.768 nan 8.150 nan 0.000 0.545 295 T N 2.190 116.750 114.554 0.010 0.000 2.232 295 T HA 0.119 4.469 4.350 0.001 0.000 0.177 295 T C 1.358 176.053 174.700 -0.008 0.000 1.115 295 T CA 2.087 64.186 62.100 -0.002 0.000 2.562 295 T CB -0.809 68.047 68.868 -0.020 0.000 0.912 295 T HN 2.197 nan 8.240 nan 0.000 0.370 296 G N 1.338 110.140 108.800 0.003 0.000 2.203 296 G HA2 0.095 4.056 3.960 0.001 0.000 0.231 296 G HA3 0.095 4.056 3.960 0.001 0.000 0.231 296 G C 0.111 175.016 174.900 0.010 0.000 1.058 296 G CA -0.174 44.928 45.100 0.004 0.000 0.781 296 G HN 1.247 nan 8.290 nan 0.000 0.496 297 A N -0.507 122.323 122.820 0.017 0.000 2.248 297 A HA 0.771 5.091 4.320 0.001 0.000 0.316 297 A C 1.173 178.772 177.584 0.025 0.000 1.101 297 A CA -0.125 51.925 52.037 0.021 0.000 0.875 297 A CB 0.525 19.541 19.000 0.027 0.000 1.207 297 A HN 0.258 nan 8.150 nan 0.000 0.504 298 N N 0.162 118.877 118.700 0.024 0.000 2.461 298 N HA 0.179 4.919 4.740 0.001 0.000 0.188 298 N C 1.259 176.786 175.510 0.029 0.000 1.134 298 N CA 0.954 54.017 53.050 0.023 0.000 0.878 298 N CB 0.075 38.572 38.487 0.017 0.000 0.972 298 N HN 0.926 nan 8.380 nan 0.000 0.456 299 A N 1.632 124.475 122.820 0.039 0.000 4.599 299 A HA -0.341 3.980 4.320 0.001 0.000 0.336 299 A C 1.541 179.154 177.584 0.048 0.000 1.823 299 A CA 1.810 53.879 52.037 0.053 0.000 0.766 299 A CB -1.740 17.298 19.000 0.064 0.000 1.419 299 A HN 0.291 nan 8.150 nan 0.000 0.464 300 L N 0.337 121.584 121.223 0.040 0.000 2.046 300 L HA -0.056 4.284 4.340 0.001 0.000 0.208 300 L C 1.801 178.684 176.870 0.021 0.000 1.077 300 L CA 3.318 58.177 54.840 0.031 0.000 0.747 300 L CB -0.853 41.215 42.059 0.014 0.000 0.896 300 L HN 0.627 nan 8.230 nan 0.000 0.432 301 D N -0.881 119.528 120.400 0.014 0.000 2.144 301 D HA -0.165 4.476 4.640 0.001 0.000 0.199 301 D C 2.052 178.362 176.300 0.016 0.000 0.984 301 D CA 1.786 55.791 54.000 0.010 0.000 0.834 301 D CB -0.199 40.604 40.800 0.006 0.000 0.955 301 D HN 0.407 nan 8.370 nan 0.000 0.465 302 T N -0.158 114.411 114.554 0.024 0.000 2.708 302 T HA -0.113 4.237 4.350 0.001 0.000 0.266 302 T C 1.979 176.698 174.700 0.032 0.000 1.037 302 T CA 1.394 63.511 62.100 0.028 0.000 1.146 302 T CB -0.348 68.542 68.868 0.036 0.000 0.865 302 T HN 0.195 nan 8.240 nan 0.000 0.435 303 A N 0.890 123.733 122.820 0.037 0.000 2.119 303 A HA 0.421 4.741 4.320 0.001 0.000 0.217 303 A C 2.466 180.068 177.584 0.030 0.000 1.153 303 A CA 1.296 53.358 52.037 0.041 0.000 0.692 303 A CB -0.669 18.363 19.000 0.053 0.000 0.799 303 A HN 0.484 nan 8.150 nan 0.000 0.458 304 A N -0.261 122.571 122.820 0.021 0.000 1.930 304 A HA 0.341 4.662 4.320 0.001 0.000 0.215 304 A C 2.274 179.865 177.584 0.012 0.000 1.176 304 A CA 1.402 53.445 52.037 0.011 0.000 0.632 304 A CB -0.628 18.374 19.000 0.003 0.000 0.819 304 A HN 0.936 nan 8.150 nan 0.000 0.445 305 A N -0.642 122.187 122.820 0.014 0.000 2.208 305 A HA 0.229 4.550 4.320 0.001 0.000 0.209 305 A C 1.879 179.475 177.584 0.020 0.000 1.161 305 A CA 0.530 52.575 52.037 0.014 0.000 0.782 305 A CB -0.479 18.528 19.000 0.012 0.000 0.816 305 A HN 0.471 nan 8.150 nan 0.000 0.477 306 I N -0.982 119.604 120.570 0.027 0.000 2.252 306 I HA -0.187 3.983 4.170 0.001 0.000 0.245 306 I C 2.632 178.773 176.117 0.041 0.000 1.102 306 I CA 1.318 62.638 61.300 0.034 0.000 1.385 306 I CB -0.076 37.949 38.000 0.042 0.000 1.064 306 I HN 0.274 nan 8.210 nan 0.000 0.414 307 R N 1.462 121.987 120.500 0.041 0.000 2.148 307 R HA 0.005 4.346 4.340 0.001 0.000 0.223 307 R C 2.044 178.361 176.300 0.028 0.000 1.088 307 R CA 1.452 57.580 56.100 0.046 0.000 0.985 307 R CB -0.597 29.722 30.300 0.031 0.000 0.880 307 R HN 0.316 nan 8.270 nan 0.000 0.451 308 A N 0.323 123.154 122.820 0.018 0.000 1.858 308 A HA -0.169 4.152 4.320 0.001 0.000 0.216 308 A C 2.093 179.684 177.584 0.011 0.000 1.190 308 A CA 1.750 53.794 52.037 0.011 0.000 0.617 308 A CB -0.648 18.356 19.000 0.007 0.000 0.827 308 A HN 0.413 nan 8.150 nan 0.000 0.443 309 E N -0.232 119.975 120.200 0.013 0.000 2.072 309 E HA -0.123 4.227 4.350 0.001 0.000 0.191 309 E C 1.771 178.379 176.600 0.013 0.000 0.985 309 E CA 1.214 57.620 56.400 0.010 0.000 0.801 309 E CB -0.364 29.341 29.700 0.009 0.000 0.750 309 E HN 0.493 nan 8.360 nan 0.000 0.452 310 L N -0.494 120.744 121.223 0.025 0.000 2.478 310 L HA 0.128 4.469 4.340 0.001 0.000 0.223 310 L C 1.941 178.821 176.870 0.017 0.000 1.140 310 L CA 0.994 55.856 54.840 0.037 0.000 0.842 310 L CB -0.176 41.920 42.059 0.062 0.000 0.953 310 L HN 0.232 nan 8.230 nan 0.000 0.452 311 A N -0.633 122.194 122.820 0.010 0.000 1.968 311 A HA -0.102 4.218 4.320 0.001 0.000 0.217 311 A C 1.995 179.564 177.584 -0.026 0.000 1.169 311 A CA 1.097 53.130 52.037 -0.007 0.000 0.638 311 A CB -0.182 18.819 19.000 0.002 0.000 0.812 311 A HN 0.256 nan 8.150 nan 0.000 0.446 312 K N -1.074 119.323 120.400 -0.005 0.000 2.404 312 K HA 0.281 4.602 4.320 0.001 0.000 0.194 312 K C 1.224 177.845 176.600 0.036 0.000 1.023 312 K CA 0.378 56.682 56.287 0.028 0.000 1.094 312 K CB -0.022 32.497 32.500 0.032 0.000 0.841 312 K HN 0.538 nan 8.250 nan 0.000 0.523 313 M N 0.142 119.717 119.600 -0.041 0.000 2.447 313 M HA 0.004 4.485 4.480 0.001 0.000 0.266 313 M C 1.575 177.518 176.300 -0.595 0.000 1.120 313 M CA 0.931 56.184 55.300 -0.079 0.000 1.166 313 M CB 0.084 32.722 32.600 0.064 0.000 1.349 313 M HN 0.049 nan 8.290 nan 0.000 0.463 314 E N 0.561 120.332 120.200 -0.714 0.000 2.108 314 E HA -0.247 4.104 4.350 0.001 0.000 0.203 314 E C -0.826 175.302 176.600 -0.786 0.000 1.022 314 E CA 1.563 57.341 56.400 -1.037 0.000 0.823 314 E CB -1.621 27.855 29.700 -0.373 0.000 0.744 314 E HN 0.426 nan 8.360 nan 0.000 0.456 315 P HA -0.097 nan 4.420 nan 0.000 0.223 315 P C 0.367 177.398 177.300 -0.448 0.000 1.151 315 P CA 1.020 63.899 63.100 -0.368 0.000 0.787 315 P CB 0.006 31.477 31.700 -0.383 0.000 0.788 316 F N -2.016 117.860 119.950 -0.124 0.000 2.750 316 F HA 0.273 4.801 4.527 0.001 0.000 0.297 316 F C 0.588 176.560 175.800 0.287 0.000 1.138 316 F CA -0.719 57.318 58.000 0.062 0.000 1.346 316 F CB -0.402 38.645 39.000 0.078 0.000 0.965 316 F HN -0.253 nan 8.300 nan 0.000 0.514 317 F N 2.677 122.758 119.950 0.217 0.000 2.389 317 F HA 0.381 4.909 4.527 0.001 0.000 0.337 317 F C -1.179 174.671 175.800 0.084 0.000 1.112 317 F CA -3.572 54.561 58.000 0.223 0.000 1.192 317 F CB -0.168 38.942 39.000 0.183 0.000 1.185 317 F HN -0.051 nan 8.300 nan 0.000 0.552 318 P HA 0.053 nan 4.420 nan 0.000 0.293 318 P C -0.568 176.758 177.300 0.042 0.000 1.298 318 P CA -0.478 62.633 63.100 0.019 0.000 0.757 318 P CB 0.407 32.014 31.700 -0.154 0.000 1.262 319 S N -1.189 114.517 115.700 0.009 0.000 2.509 319 S HA 0.368 4.838 4.470 0.001 0.000 0.287 319 S C 1.299 175.908 174.600 0.015 0.000 1.248 319 S CA 0.849 59.059 58.200 0.017 0.000 1.089 319 S CB -1.629 61.575 63.200 0.007 0.000 0.900 319 S HN 0.875 nan 8.310 nan 0.000 0.496 320 G N 4.005 112.826 108.800 0.034 0.000 2.268 320 G HA2 -0.200 3.761 3.960 0.001 0.000 0.240 320 G HA3 -0.200 3.761 3.960 0.001 0.000 0.240 320 G C 0.178 175.099 174.900 0.035 0.000 1.010 320 G CA 0.018 45.136 45.100 0.031 0.000 0.618 320 G HN 0.723 nan 8.290 nan 0.000 0.516 321 L N 1.948 123.192 121.223 0.035 0.000 2.600 321 L HA 0.476 4.816 4.340 0.001 0.000 0.278 321 L C 0.568 177.489 176.870 0.085 0.000 1.139 321 L CA 0.826 55.664 54.840 -0.003 0.000 0.933 321 L CB 0.120 42.128 42.059 -0.085 0.000 1.266 321 L HN 0.469 nan 8.230 nan 0.000 0.471 322 K N 4.898 125.325 120.400 0.046 0.000 2.295 322 K HA 0.647 4.968 4.320 0.001 0.000 0.239 322 K C -0.781 175.820 176.600 0.001 0.000 0.991 322 K CA -0.812 55.527 56.287 0.087 0.000 0.845 322 K CB 1.930 34.467 32.500 0.061 0.000 1.197 322 K HN 0.502 nan 8.250 nan 0.000 0.441 323 I N 2.018 122.588 120.570 -0.001 0.000 2.525 323 I HA 0.463 4.633 4.170 0.001 0.000 0.301 323 I C -0.558 175.364 176.117 -0.325 0.000 0.992 323 I CA -1.215 59.971 61.300 -0.191 0.000 1.162 323 I CB 1.788 39.685 38.000 -0.171 0.000 1.332 323 I HN 0.294 nan 8.210 nan 0.000 0.458 324 V N 5.675 125.243 119.914 -0.577 0.000 3.049 324 V HA 0.478 4.598 4.120 0.001 0.000 0.309 324 V C -1.807 173.857 176.094 -0.717 0.000 1.148 324 V CA -0.415 61.564 62.300 -0.535 0.000 0.990 324 V CB 2.601 34.104 31.823 -0.533 0.000 1.039 324 V HN 0.548 nan 8.190 nan 0.000 0.430 325 Y N 5.982 126.215 120.300 -0.112 0.000 2.686 325 Y HA 0.575 5.126 4.550 0.001 0.000 0.331 325 Y C -2.043 173.856 175.900 -0.002 0.000 0.996 325 Y CA -1.988 56.068 58.100 -0.073 0.000 1.293 325 Y CB 0.864 39.309 38.460 -0.025 0.000 1.092 325 Y HN 0.557 nan 8.280 nan 0.000 0.524 326 P HA 0.057 nan 4.420 nan 0.000 0.306 326 P C -0.306 177.094 177.300 0.166 0.000 1.309 326 P CA -0.731 62.465 63.100 0.160 0.000 0.759 326 P CB 0.825 32.640 31.700 0.191 0.000 1.314 327 Y N 0.258 120.564 120.300 0.009 0.000 2.947 327 Y HA -0.270 4.281 4.550 0.001 0.000 0.243 327 Y C -0.543 175.346 175.900 -0.018 0.000 1.283 327 Y CA 0.035 58.109 58.100 -0.043 0.000 0.956 327 Y CB -0.840 37.545 38.460 -0.124 0.000 1.372 327 Y HN 0.276 nan 8.280 nan 0.000 0.334 328 D N 3.687 124.278 120.400 0.319 0.000 2.780 328 D HA 0.274 4.914 4.640 0.001 0.000 0.242 328 D C 0.326 176.759 176.300 0.222 0.000 1.135 328 D CA -0.402 53.729 54.000 0.218 0.000 0.859 328 D CB 2.198 43.087 40.800 0.149 0.000 1.530 328 D HN 0.315 nan 8.370 nan 0.000 0.493 329 T N 1.164 115.845 114.554 0.212 0.000 3.009 329 T HA -0.029 4.321 4.350 0.001 0.000 0.258 329 T C 1.609 176.443 174.700 0.224 0.000 1.063 329 T CA 1.024 63.267 62.100 0.237 0.000 1.139 329 T CB 0.018 69.021 68.868 0.224 0.000 0.890 329 T HN 0.474 nan 8.240 nan 0.000 0.471 330 T N 2.767 117.414 114.554 0.154 0.000 2.592 330 T HA -0.133 4.217 4.350 0.001 0.000 0.267 330 T C -0.734 174.052 174.700 0.144 0.000 1.060 330 T CA 1.753 63.921 62.100 0.115 0.000 1.167 330 T CB -1.136 67.765 68.868 0.055 0.000 0.863 330 T HN 0.364 nan 8.240 nan 0.000 0.431 331 P HA 0.050 nan 4.420 nan 0.000 0.226 331 P C 1.020 178.534 177.300 0.356 0.000 1.153 331 P CA 0.458 63.691 63.100 0.222 0.000 0.777 331 P CB -0.137 31.696 31.700 0.221 0.000 0.794 332 F N 0.147 120.229 119.950 0.220 0.000 2.259 332 F HA -0.097 4.431 4.527 0.001 0.000 0.298 332 F C 1.960 177.815 175.800 0.092 0.000 1.088 332 F CA 0.855 58.994 58.000 0.232 0.000 1.358 332 F CB -0.718 38.435 39.000 0.256 0.000 1.040 332 F HN -0.296 nan 8.300 nan 0.000 0.505 333 V N 0.275 120.235 119.914 0.077 0.000 2.270 333 V HA -0.298 3.823 4.120 0.001 0.000 0.245 333 V C 2.433 178.479 176.094 -0.081 0.000 1.043 333 V CA 2.199 64.457 62.300 -0.069 0.000 1.014 333 V CB -0.734 31.085 31.823 -0.007 0.000 0.645 333 V HN 0.210 nan 8.190 nan 0.000 0.447 334 K N -0.345 120.052 120.400 -0.006 0.000 2.152 334 K HA -0.207 4.114 4.320 0.001 0.000 0.206 334 K C 1.927 178.521 176.600 -0.011 0.000 1.048 334 K CA 1.790 58.073 56.287 -0.007 0.000 0.933 334 K CB -0.212 32.298 32.500 0.017 0.000 0.721 334 K HN 0.386 nan 8.250 nan 0.000 0.447 335 I N -0.013 120.544 120.570 -0.021 0.000 2.585 335 I HA -0.094 4.076 4.170 0.001 0.000 0.254 335 I C 1.567 177.597 176.117 -0.145 0.000 1.129 335 I CA 1.011 62.279 61.300 -0.052 0.000 1.455 335 I CB 0.145 38.097 38.000 -0.080 0.000 1.111 335 I HN 0.035 nan 8.210 nan 0.000 0.433 336 S N 0.391 115.924 115.700 -0.278 0.000 2.406 336 S HA -0.035 4.436 4.470 0.001 0.000 0.228 336 S C 2.030 176.515 174.600 -0.193 0.000 1.020 336 S CA 1.258 59.264 58.200 -0.323 0.000 0.965 336 S CB -0.372 62.505 63.200 -0.538 0.000 0.798 336 S HN 0.400 nan 8.310 nan 0.000 0.488 337 I N 0.851 121.333 120.570 -0.147 0.000 2.202 337 I HA -0.203 3.968 4.170 0.001 0.000 0.242 337 I C 2.463 178.565 176.117 -0.027 0.000 1.091 337 I CA 1.524 62.775 61.300 -0.081 0.000 1.368 337 I CB -0.305 37.655 38.000 -0.066 0.000 1.058 337 I HN 0.310 nan 8.210 nan 0.000 0.410 338 H N 0.672 119.683 119.070 -0.098 0.000 2.495 338 H HA -0.060 4.497 4.556 0.001 0.000 0.287 338 H C 1.911 177.192 175.328 -0.079 0.000 1.033 338 H CA 1.184 57.187 56.048 -0.076 0.000 1.307 338 H CB 0.249 29.970 29.762 -0.068 0.000 1.401 338 H HN 0.187 nan 8.280 nan 0.000 0.555 339 E N -0.542 119.564 120.200 -0.157 0.000 2.276 339 E HA -0.004 4.347 4.350 0.001 0.000 0.193 339 E C 2.201 178.717 176.600 -0.142 0.000 0.983 339 E CA 0.473 56.760 56.400 -0.189 0.000 0.861 339 E CB 0.278 29.886 29.700 -0.154 0.000 0.817 339 E HN 0.349 nan 8.360 nan 0.000 0.485 340 V N 0.678 120.540 119.914 -0.086 0.000 2.446 340 V HA -0.116 4.005 4.120 0.001 0.000 0.244 340 V C 2.366 178.436 176.094 -0.040 0.000 1.039 340 V CA 0.815 63.103 62.300 -0.019 0.000 1.045 340 V CB -0.067 31.792 31.823 0.059 0.000 0.681 340 V HN 0.026 nan 8.190 nan 0.000 0.459 341 V N 0.111 119.991 119.914 -0.056 0.000 2.594 341 V HA -0.211 3.910 4.120 0.001 0.000 0.253 341 V C 2.449 178.478 176.094 -0.109 0.000 1.069 341 V CA 1.767 64.036 62.300 -0.052 0.000 1.082 341 V CB -0.636 31.168 31.823 -0.032 0.000 0.680 341 V HN 0.444 nan 8.190 nan 0.000 0.469 342 K N 0.542 120.827 120.400 -0.191 0.000 2.057 342 K HA -0.125 4.195 4.320 0.001 0.000 0.206 342 K C 2.178 178.696 176.600 -0.136 0.000 1.050 342 K CA 1.981 58.141 56.287 -0.211 0.000 0.935 342 K CB -0.812 31.507 32.500 -0.301 0.000 0.715 342 K HN 0.459 nan 8.250 nan 0.000 0.439 343 T N 2.273 116.756 114.554 -0.120 0.000 2.777 343 T HA -0.097 4.254 4.350 0.001 0.000 0.266 343 T C 1.505 176.151 174.700 -0.090 0.000 1.040 343 T CA 1.103 63.140 62.100 -0.105 0.000 1.141 343 T CB -0.262 68.540 68.868 -0.110 0.000 0.868 343 T HN 0.155 nan 8.240 nan 0.000 0.444 344 L N 1.790 122.971 121.223 -0.071 0.000 2.021 344 L HA -0.127 4.214 4.340 0.001 0.000 0.215 344 L C 2.299 179.131 176.870 -0.062 0.000 1.074 344 L CA 2.018 56.823 54.840 -0.058 0.000 0.760 344 L CB -1.137 40.907 42.059 -0.027 0.000 0.889 344 L HN 0.165 nan 8.230 nan 0.000 0.433 345 V N 0.336 120.211 119.914 -0.064 0.000 2.453 345 V HA -0.221 3.900 4.120 0.001 0.000 0.247 345 V C 2.551 178.605 176.094 -0.065 0.000 1.048 345 V CA 1.646 63.908 62.300 -0.063 0.000 1.049 345 V CB -0.447 31.337 31.823 -0.064 0.000 0.672 345 V HN 0.460 nan 8.190 nan 0.000 0.457 346 E N 0.717 120.874 120.200 -0.071 0.000 2.007 346 E HA -0.211 4.139 4.350 0.001 0.000 0.194 346 E C 2.358 178.921 176.600 -0.061 0.000 0.999 346 E CA 1.404 57.764 56.400 -0.065 0.000 0.811 346 E CB -0.453 29.203 29.700 -0.074 0.000 0.762 346 E HN 0.541 nan 8.360 nan 0.000 0.450 347 A N 0.857 123.630 122.820 -0.079 0.000 2.032 347 A HA -0.221 4.099 4.320 0.001 0.000 0.221 347 A C 2.113 179.660 177.584 -0.062 0.000 1.165 347 A CA 1.276 53.260 52.037 -0.089 0.000 0.645 347 A CB -0.664 18.260 19.000 -0.126 0.000 0.807 347 A HN 0.191 nan 8.150 nan 0.000 0.453 348 I N -0.759 119.782 120.570 -0.050 0.000 2.235 348 I HA -0.184 3.987 4.170 0.001 0.000 0.241 348 I C 2.272 178.395 176.117 0.011 0.000 1.085 348 I CA 1.089 62.374 61.300 -0.026 0.000 1.378 348 I CB -0.251 37.724 38.000 -0.042 0.000 1.076 348 I HN 0.275 nan 8.210 nan 0.000 0.415 349 I N 0.728 121.288 120.570 -0.017 0.000 2.248 349 I HA -0.324 3.846 4.170 0.001 0.000 0.248 349 I C 2.337 178.502 176.117 0.081 0.000 1.107 349 I CA 1.469 62.770 61.300 0.003 0.000 1.373 349 I CB -0.248 37.731 38.000 -0.035 0.000 1.055 349 I HN 0.264 nan 8.210 nan 0.000 0.418 350 L N -0.592 120.652 121.223 0.035 0.000 2.131 350 L HA -0.111 4.230 4.340 0.001 0.000 0.206 350 L C 2.552 179.444 176.870 0.037 0.000 1.087 350 L CA 0.778 55.636 54.840 0.029 0.000 0.767 350 L CB -0.641 41.408 42.059 -0.016 0.000 0.917 350 L HN 0.129 nan 8.230 nan 0.000 0.441 351 V N -0.315 119.617 119.914 0.030 0.000 2.809 351 V HA -0.257 3.864 4.120 0.001 0.000 0.256 351 V C 2.182 178.313 176.094 0.061 0.000 1.080 351 V CA 1.227 63.535 62.300 0.014 0.000 1.102 351 V CB -0.233 31.585 31.823 -0.009 0.000 0.705 351 V HN 0.357 nan 8.190 nan 0.000 0.475 352 F N -0.153 119.782 119.950 -0.025 0.000 2.259 352 F HA -0.058 4.469 4.527 0.001 0.000 0.298 352 F C 1.796 177.630 175.800 0.056 0.000 1.088 352 F CA 1.611 59.609 58.000 -0.004 0.000 1.358 352 F CB 0.086 39.070 39.000 -0.027 0.000 1.040 352 F HN 0.116 nan 8.300 nan 0.000 0.505 353 L N -0.900 120.425 121.223 0.170 0.000 2.095 353 L HA -0.131 4.210 4.340 0.001 0.000 0.204 353 L C 2.297 179.198 176.870 0.051 0.000 1.080 353 L CA 0.750 55.667 54.840 0.128 0.000 0.759 353 L CB -0.953 41.183 42.059 0.127 0.000 0.914 353 L HN -0.048 nan 8.230 nan 0.000 0.439 354 V N -0.486 119.421 119.914 -0.012 0.000 2.626 354 V HA -0.259 3.862 4.120 0.001 0.000 0.252 354 V C 2.358 178.381 176.094 -0.119 0.000 1.067 354 V CA 1.534 63.776 62.300 -0.097 0.000 1.081 354 V CB -0.377 31.341 31.823 -0.175 0.000 0.686 354 V HN 0.350 nan 8.190 nan 0.000 0.468 355 M N -1.455 118.093 119.600 -0.086 0.000 2.349 355 M HA -0.031 4.449 4.480 0.001 0.000 0.266 355 M C 1.936 178.261 176.300 0.043 0.000 1.076 355 M CA 1.445 56.704 55.300 -0.068 0.000 1.126 355 M CB -0.349 32.181 32.600 -0.116 0.000 1.392 355 M HN 0.401 nan 8.290 nan 0.000 0.440 356 Y N -0.398 119.818 120.300 -0.140 0.000 2.420 356 Y HA 0.062 4.612 4.550 0.001 0.000 0.292 356 Y C 1.531 177.544 175.900 0.190 0.000 1.119 356 Y CA 1.124 59.210 58.100 -0.023 0.000 1.229 356 Y CB -0.016 38.384 38.460 -0.100 0.000 1.026 356 Y HN 0.084 nan 8.280 nan 0.000 0.554 357 L N -1.764 119.574 121.223 0.192 0.000 2.313 357 L HA -0.148 4.193 4.340 0.001 0.000 0.214 357 L C 1.560 178.611 176.870 0.302 0.000 1.119 357 L CA 1.012 55.977 54.840 0.209 0.000 0.809 357 L CB -0.568 41.553 42.059 0.104 0.000 0.933 357 L HN 0.184 nan 8.230 nan 0.000 0.449 358 F N -0.133 119.802 119.950 -0.024 0.000 2.315 358 F HA 0.148 4.676 4.527 0.001 0.000 0.284 358 F C 1.267 177.096 175.800 0.049 0.000 1.049 358 F CA -0.116 57.840 58.000 -0.073 0.000 1.323 358 F CB -0.204 38.747 39.000 -0.081 0.000 1.113 358 F HN -0.204 nan 8.300 nan 0.000 0.544 359 L N 2.505 123.898 121.223 0.284 0.000 2.356 359 L HA 0.208 4.548 4.340 0.001 0.000 0.282 359 L C 1.527 178.527 176.870 0.217 0.000 1.132 359 L CA -0.218 54.761 54.840 0.232 0.000 0.923 359 L CB 0.313 42.476 42.059 0.173 0.000 1.278 359 L HN 0.304 nan 8.230 nan 0.000 0.436 360 Q N 1.844 121.792 119.800 0.246 0.000 2.226 360 Q HA -0.107 4.234 4.340 0.001 0.000 0.204 360 Q C 0.240 176.345 176.000 0.175 0.000 0.975 360 Q CA 0.815 56.678 55.803 0.100 0.000 0.866 360 Q CB 0.020 28.858 28.738 0.165 0.000 0.915 360 Q HN 0.615 nan 8.270 nan 0.000 0.440 361 N N 1.045 119.878 118.700 0.223 0.000 2.414 361 N HA -0.083 4.658 4.740 0.001 0.000 0.268 361 N C -0.051 175.701 175.510 0.404 0.000 1.286 361 N CA 0.153 53.361 53.050 0.264 0.000 0.896 361 N CB 0.366 38.961 38.487 0.180 0.000 1.093 361 N HN 0.223 nan 8.380 nan 0.000 0.480 362 F N 4.395 124.530 119.950 0.308 0.000 2.186 362 F HA -0.108 4.420 4.527 0.002 0.000 0.299 362 F C 2.470 178.363 175.800 0.154 0.000 1.090 362 F CA 1.230 59.386 58.000 0.260 0.000 1.307 362 F CB 0.071 39.189 39.000 0.197 0.000 1.019 362 F HN 0.521 nan 8.300 nan 0.000 0.489 363 R N 0.498 121.107 120.500 0.181 0.000 2.152 363 R HA -0.063 4.278 4.340 0.001 0.000 0.232 363 R C 2.010 178.334 176.300 0.041 0.000 1.117 363 R CA 1.385 57.528 56.100 0.070 0.000 0.981 363 R CB -1.361 29.004 30.300 0.109 0.000 0.870 363 R HN 0.297 nan 8.270 nan 0.000 0.451 364 A N 1.055 123.922 122.820 0.078 0.000 2.016 364 A HA -0.056 4.264 4.320 0.001 0.000 0.217 364 A C 1.833 179.432 177.584 0.026 0.000 1.162 364 A CA 1.288 53.366 52.037 0.069 0.000 0.662 364 A CB -0.244 18.820 19.000 0.105 0.000 0.812 364 A HN 0.379 nan 8.150 nan 0.000 0.450 365 T N -0.467 114.070 114.554 -0.028 0.000 3.341 365 T HA 0.520 4.870 4.350 0.001 0.000 0.234 365 T C 0.609 175.213 174.700 -0.159 0.000 0.890 365 T CA 0.069 62.076 62.100 -0.154 0.000 0.952 365 T CB -0.769 67.912 68.868 -0.313 0.000 1.146 365 T HN 0.326 nan 8.240 nan 0.000 0.591 366 L N -0.397 120.799 121.223 -0.045 0.000 2.753 366 L HA 0.326 4.666 4.340 0.001 0.000 0.238 366 L C 2.088 178.982 176.870 0.041 0.000 1.028 366 L CA 0.007 54.854 54.840 0.012 0.000 0.966 366 L CB 0.006 42.056 42.059 -0.016 0.000 1.681 366 L HN 0.283 nan 8.230 nan 0.000 0.511 367 I N 1.579 122.176 120.570 0.044 0.000 2.118 367 I HA -0.219 3.951 4.170 0.001 0.000 0.241 367 I C -0.568 175.560 176.117 0.017 0.000 1.070 367 I CA 1.771 63.102 61.300 0.051 0.000 1.327 367 I CB -1.776 36.260 38.000 0.060 0.000 1.034 367 I HN 0.252 nan 8.210 nan 0.000 0.405 368 P HA -0.037 nan 4.420 nan 0.000 0.222 368 P C 1.649 178.950 177.300 0.002 0.000 1.153 368 P CA 1.223 64.322 63.100 -0.003 0.000 0.798 368 P CB -0.088 31.607 31.700 -0.007 0.000 0.796 369 T N -0.715 113.859 114.554 0.033 0.000 2.995 369 T HA 0.055 4.405 4.350 0.001 0.000 0.269 369 T C 1.318 176.022 174.700 0.007 0.000 1.091 369 T CA 0.938 63.074 62.100 0.059 0.000 1.128 369 T CB -0.553 68.428 68.868 0.189 0.000 0.891 369 T HN 0.085 nan 8.240 nan 0.000 0.492 370 I N 0.048 120.610 120.570 -0.014 0.000 4.082 370 I HA 0.306 4.477 4.170 0.001 0.000 0.337 370 I C 2.045 178.091 176.117 -0.118 0.000 1.352 370 I CA -0.113 61.148 61.300 -0.065 0.000 1.097 370 I CB 0.170 38.142 38.000 -0.047 0.000 1.048 370 I HN 0.091 nan 8.210 nan 0.000 0.393 371 A N 1.071 123.841 122.820 -0.084 0.000 1.862 371 A HA -0.054 4.267 4.320 0.001 0.000 0.211 371 A C 2.278 179.803 177.584 -0.098 0.000 1.220 371 A CA 1.417 53.395 52.037 -0.098 0.000 0.616 371 A CB -0.771 18.191 19.000 -0.062 0.000 0.878 371 A HN 0.208 nan 8.150 nan 0.000 0.453 372 V N -2.402 117.466 119.914 -0.076 0.000 2.667 372 V HA -0.042 4.079 4.120 0.001 0.000 0.252 372 V C -0.432 175.609 176.094 -0.087 0.000 1.065 372 V CA 1.403 63.655 62.300 -0.079 0.000 1.083 372 V CB -2.010 29.773 31.823 -0.067 0.000 0.692 372 V HN 0.340 nan 8.190 nan 0.000 0.468 373 P HA -0.151 nan 4.420 nan 0.000 0.216 373 P C 2.019 179.266 177.300 -0.089 0.000 1.157 373 P CA 1.938 64.992 63.100 -0.077 0.000 0.880 373 P CB -0.209 31.446 31.700 -0.074 0.000 0.791 374 V N -0.325 119.523 119.914 -0.111 0.000 2.427 374 V HA -0.155 3.966 4.120 0.001 0.000 0.248 374 V C 2.719 178.749 176.094 -0.107 0.000 1.051 374 V CA 1.508 63.739 62.300 -0.115 0.000 1.048 374 V CB -1.073 30.657 31.823 -0.155 0.000 0.666 374 V HN -0.057 nan 8.190 nan 0.000 0.456 375 V N -0.271 119.577 119.914 -0.111 0.000 2.515 375 V HA -0.196 3.925 4.120 0.001 0.000 0.250 375 V C 2.248 178.254 176.094 -0.147 0.000 1.058 375 V CA 1.547 63.780 62.300 -0.112 0.000 1.064 375 V CB -0.566 31.198 31.823 -0.099 0.000 0.675 375 V HN 0.426 nan 8.190 nan 0.000 0.461 376 L N -0.581 120.537 121.223 -0.175 0.000 2.027 376 L HA -0.130 4.210 4.340 0.001 0.000 0.206 376 L C 2.439 179.076 176.870 -0.389 0.000 1.074 376 L CA 1.474 56.133 54.840 -0.302 0.000 0.745 376 L CB -0.547 41.353 42.059 -0.266 0.000 0.898 376 L HN 0.275 nan 8.230 nan 0.000 0.433 377 L N -0.363 120.756 121.223 -0.174 0.000 2.127 377 L HA -0.161 4.180 4.340 0.001 0.000 0.211 377 L C 2.657 179.508 176.870 -0.031 0.000 1.089 377 L CA 1.321 56.149 54.840 -0.019 0.000 0.757 377 L CB -1.280 40.794 42.059 0.026 0.000 0.899 377 L HN 0.356 nan 8.230 nan 0.000 0.434 378 G N -0.625 108.125 108.800 -0.084 0.000 2.418 378 G HA2 -0.230 3.730 3.960 0.001 0.000 0.217 378 G HA3 -0.230 3.730 3.960 0.001 0.000 0.217 378 G C 1.583 176.437 174.900 -0.076 0.000 1.158 378 G CA 1.247 46.305 45.100 -0.071 0.000 0.771 378 G HN 0.278 nan 8.290 nan 0.000 0.545 379 T N 0.687 115.156 114.554 -0.141 0.000 2.867 379 T HA -0.008 4.343 4.350 0.001 0.000 0.268 379 T C 2.001 176.677 174.700 -0.040 0.000 1.057 379 T CA 0.638 62.662 62.100 -0.127 0.000 1.136 379 T CB -0.307 68.437 68.868 -0.205 0.000 0.874 379 T HN 0.367 nan 8.240 nan 0.000 0.466 380 F N 1.112 121.057 119.950 -0.009 0.000 2.234 380 F HA 0.037 4.565 4.527 0.001 0.000 0.299 380 F C 2.663 178.441 175.800 -0.036 0.000 1.087 380 F CA 0.318 58.312 58.000 -0.011 0.000 1.340 380 F CB -0.131 38.860 39.000 -0.014 0.000 1.031 380 F HN 0.141 nan 8.300 nan 0.000 0.500 381 A N -0.578 122.313 122.820 0.118 0.000 2.067 381 A HA -0.011 4.310 4.320 0.001 0.000 0.217 381 A C 2.107 179.645 177.584 -0.075 0.000 1.156 381 A CA 1.016 53.061 52.037 0.013 0.000 0.683 381 A CB -0.659 18.335 19.000 -0.011 0.000 0.808 381 A HN 0.191 nan 8.150 nan 0.000 0.455 382 V N -0.354 119.508 119.914 -0.087 0.000 2.575 382 V HA -0.048 4.073 4.120 0.001 0.000 0.242 382 V C 2.335 178.290 176.094 -0.231 0.000 1.045 382 V CA 1.190 63.360 62.300 -0.217 0.000 1.065 382 V CB -0.377 31.369 31.823 -0.129 0.000 0.717 382 V HN 0.539 nan 8.190 nan 0.000 0.467 383 L N 0.141 121.344 121.223 -0.033 0.000 2.240 383 L HA 0.002 4.343 4.340 0.001 0.000 0.211 383 L C 2.641 179.518 176.870 0.012 0.000 1.106 383 L CA 1.178 56.029 54.840 0.020 0.000 0.793 383 L CB -0.681 41.496 42.059 0.197 0.000 0.927 383 L HN 0.353 nan 8.230 nan 0.000 0.446 384 A N 0.328 123.156 122.820 0.014 0.000 1.930 384 A HA -0.067 4.254 4.320 0.001 0.000 0.217 384 A C 2.443 179.989 177.584 -0.063 0.000 1.175 384 A CA 1.480 53.517 52.037 0.001 0.000 0.627 384 A CB -0.441 18.560 19.000 0.002 0.000 0.815 384 A HN 0.360 nan 8.150 nan 0.000 0.443 385 A N -2.050 120.666 122.820 -0.172 0.000 2.167 385 A HA 0.244 4.565 4.320 0.001 0.000 0.214 385 A C 1.551 178.966 177.584 -0.282 0.000 1.151 385 A CA 0.656 52.533 52.037 -0.267 0.000 0.735 385 A CB -0.537 18.217 19.000 -0.410 0.000 0.802 385 A HN 0.537 nan 8.150 nan 0.000 0.467 386 F N -1.868 117.972 119.950 -0.183 0.000 2.678 386 F HA 0.339 4.867 4.527 0.001 0.000 0.305 386 F C 1.821 177.463 175.800 -0.265 0.000 1.090 386 F CA 0.367 58.191 58.000 -0.294 0.000 1.272 386 F CB 0.892 39.564 39.000 -0.547 0.000 1.060 386 F HN 0.394 nan 8.300 nan 0.000 0.576 387 G N 0.592 109.422 108.800 0.049 0.000 2.254 387 G HA2 -0.254 3.707 3.960 0.001 0.000 0.225 387 G HA3 -0.254 3.707 3.960 0.001 0.000 0.225 387 G C 0.375 175.452 174.900 0.295 0.000 1.003 387 G CA -0.573 44.617 45.100 0.150 0.000 0.622 387 G HN 0.226 nan 8.290 nan 0.000 0.507 388 F N 2.313 122.313 119.950 0.085 0.000 2.490 388 F HA 0.451 4.979 4.527 0.001 0.000 0.336 388 F C 1.471 177.296 175.800 0.041 0.000 1.178 388 F CA -0.011 58.021 58.000 0.054 0.000 1.301 388 F CB 0.911 39.952 39.000 0.068 0.000 1.175 388 F HN 0.372 nan 8.300 nan 0.000 0.593 389 S N 1.506 117.331 115.700 0.207 0.000 2.753 389 S HA 0.519 4.990 4.470 0.001 0.000 0.302 389 S C -0.361 174.279 174.600 0.067 0.000 1.104 389 S CA -0.953 57.303 58.200 0.093 0.000 0.968 389 S CB 1.150 64.371 63.200 0.034 0.000 1.278 389 S HN 0.489 nan 8.310 nan 0.000 0.549 390 I N 2.745 123.309 120.570 -0.010 0.000 2.382 390 I HA 0.131 4.301 4.170 0.001 0.000 0.297 390 I C 0.105 176.171 176.117 -0.084 0.000 1.172 390 I CA -0.199 61.076 61.300 -0.041 0.000 1.825 390 I CB -1.310 36.618 38.000 -0.121 0.000 1.509 390 I HN 0.435 nan 8.210 nan 0.000 0.842 391 N N 2.655 121.302 118.700 -0.088 0.000 2.483 391 N HA 0.121 4.862 4.740 0.001 0.000 0.269 391 N C 1.318 176.657 175.510 -0.285 0.000 1.209 391 N CA -0.109 52.837 53.050 -0.175 0.000 0.969 391 N CB 1.132 39.523 38.487 -0.161 0.000 1.173 391 N HN 0.257 nan 8.380 nan 0.000 0.475 392 T N 1.012 115.299 114.554 -0.446 0.000 2.721 392 T HA -0.136 4.214 4.350 0.001 0.000 0.268 392 T C 1.913 176.197 174.700 -0.693 0.000 1.038 392 T CA 1.075 62.783 62.100 -0.654 0.000 1.145 392 T CB -0.105 68.224 68.868 -0.898 0.000 0.858 392 T HN 0.352 nan 8.240 nan 0.000 0.459 393 L N 0.803 121.739 121.223 -0.479 0.000 2.044 393 L HA -0.074 4.267 4.340 0.001 0.000 0.205 393 L C 2.864 179.482 176.870 -0.420 0.000 1.075 393 L CA 1.627 56.151 54.840 -0.527 0.000 0.747 393 L CB -0.544 41.268 42.059 -0.411 0.000 0.903 393 L HN 0.407 nan 8.230 nan 0.000 0.435 394 T N -3.736 110.698 114.554 -0.201 0.000 3.113 394 T HA -0.088 4.263 4.350 0.001 0.000 0.263 394 T C 1.635 176.377 174.700 0.070 0.000 1.143 394 T CA 0.405 62.506 62.100 0.003 0.000 1.090 394 T CB 0.057 68.988 68.868 0.104 0.000 0.922 394 T HN 0.049 nan 8.240 nan 0.000 0.521 395 M N 0.209 119.794 119.600 -0.025 0.000 2.447 395 M HA 0.395 4.875 4.480 0.001 0.000 0.266 395 M C 1.801 178.233 176.300 0.219 0.000 1.120 395 M CA 0.196 55.535 55.300 0.065 0.000 1.166 395 M CB -1.076 31.491 32.600 -0.055 0.000 1.349 395 M HN 0.364 nan 8.290 nan 0.000 0.463 396 F N -0.319 119.635 119.950 0.006 0.000 2.293 396 F HA -0.070 4.458 4.527 0.001 0.000 0.300 396 F C 2.257 178.279 175.800 0.370 0.000 1.086 396 F CA 0.478 58.559 58.000 0.135 0.000 1.375 396 F CB -0.479 38.614 39.000 0.156 0.000 1.045 396 F HN 0.267 nan 8.300 nan 0.000 0.516 397 G N 0.199 109.323 108.800 0.540 0.000 2.422 397 G HA2 -0.209 3.752 3.960 0.001 0.000 0.218 397 G HA3 -0.209 3.752 3.960 0.001 0.000 0.218 397 G C 1.576 176.633 174.900 0.262 0.000 1.140 397 G CA 0.442 45.861 45.100 0.532 0.000 0.775 397 G HN 0.061 nan 8.290 nan 0.000 0.545 398 M N 0.474 120.171 119.600 0.161 0.000 2.099 398 M HA 0.034 4.514 4.480 0.001 0.000 0.262 398 M C 2.683 179.003 176.300 0.033 0.000 1.067 398 M CA 0.828 56.143 55.300 0.025 0.000 1.124 398 M CB -1.188 31.395 32.600 -0.028 0.000 1.353 398 M HN 0.113 nan 8.290 nan 0.000 0.410 399 V N 0.141 120.106 119.914 0.085 0.000 2.379 399 V HA -0.165 3.955 4.120 0.001 0.000 0.243 399 V C 2.462 178.535 176.094 -0.034 0.000 1.035 399 V CA 0.865 63.172 62.300 0.011 0.000 1.035 399 V CB -0.876 30.956 31.823 0.016 0.000 0.673 399 V HN 0.316 nan 8.190 nan 0.000 0.457 400 L N 1.473 122.722 121.223 0.044 0.000 2.043 400 L HA -0.189 4.152 4.340 0.001 0.000 0.212 400 L C 2.369 179.253 176.870 0.022 0.000 1.075 400 L CA 2.620 57.474 54.840 0.024 0.000 0.752 400 L CB -0.960 41.154 42.059 0.092 0.000 0.891 400 L HN 0.244 nan 8.230 nan 0.000 0.432 401 A N -0.727 122.122 122.820 0.049 0.000 2.014 401 A HA -0.108 4.213 4.320 0.001 0.000 0.218 401 A C 2.255 179.824 177.584 -0.025 0.000 1.163 401 A CA 1.447 53.499 52.037 0.024 0.000 0.652 401 A CB -0.803 18.207 19.000 0.016 0.000 0.808 401 A HN 0.530 nan 8.150 nan 0.000 0.449 402 I N -0.051 120.478 120.570 -0.069 0.000 2.181 402 I HA -0.353 3.817 4.170 0.001 0.000 0.247 402 I C 2.616 178.668 176.117 -0.107 0.000 1.081 402 I CA 1.444 62.683 61.300 -0.101 0.000 1.340 402 I CB -0.517 37.406 38.000 -0.129 0.000 1.036 402 I HN 0.422 nan 8.210 nan 0.000 0.417 403 G N 0.331 109.020 108.800 -0.185 0.000 2.404 403 G HA2 -0.217 3.744 3.960 0.001 0.000 0.215 403 G HA3 -0.217 3.744 3.960 0.001 0.000 0.215 403 G C 1.682 176.737 174.900 0.258 0.000 1.174 403 G CA 0.316 45.348 45.100 -0.114 0.000 0.780 403 G HN 0.330 nan 8.290 nan 0.000 0.537 404 L N 0.074 121.441 121.223 0.240 0.000 2.456 404 L HA 0.180 4.520 4.340 0.001 0.000 0.224 404 L C 2.535 179.412 176.870 0.012 0.000 1.148 404 L CA 0.266 55.170 54.840 0.107 0.000 0.825 404 L CB -0.002 42.075 42.059 0.031 0.000 0.937 404 L HN 0.208 nan 8.230 nan 0.000 0.450 405 L N -1.925 119.296 121.223 -0.003 0.000 2.084 405 L HA -0.079 4.262 4.340 0.001 0.000 0.202 405 L C 2.189 179.040 176.870 -0.031 0.000 1.074 405 L CA 0.618 55.436 54.840 -0.037 0.000 0.757 405 L CB -0.359 41.667 42.059 -0.055 0.000 0.918 405 L HN 0.054 nan 8.230 nan 0.000 0.444 406 V N -1.913 117.988 119.914 -0.021 0.000 3.041 406 V HA -0.148 3.972 4.120 0.001 0.000 0.260 406 V C 2.011 178.097 176.094 -0.013 0.000 1.105 406 V CA 1.225 63.512 62.300 -0.022 0.000 1.125 406 V CB -0.646 31.162 31.823 -0.026 0.000 0.730 406 V HN 0.386 nan 8.190 nan 0.000 0.479 407 D N 1.300 121.705 120.400 0.009 0.000 2.116 407 D HA -0.272 4.369 4.640 0.001 0.000 0.193 407 D C 1.960 178.242 176.300 -0.029 0.000 0.998 407 D CA 1.875 55.873 54.000 -0.003 0.000 0.836 407 D CB -0.270 40.537 40.800 0.012 0.000 0.951 407 D HN 0.434 nan 8.370 nan 0.000 0.449 408 D N -0.735 119.645 120.400 -0.033 0.000 2.149 408 D HA -0.070 4.570 4.640 0.001 0.000 0.201 408 D C 1.899 178.182 176.300 -0.030 0.000 0.972 408 D CA 1.132 55.108 54.000 -0.040 0.000 0.835 408 D CB 0.004 40.776 40.800 -0.046 0.000 0.966 408 D HN 0.275 nan 8.370 nan 0.000 0.476 409 A N 1.027 123.831 122.820 -0.027 0.000 1.858 409 A HA -0.153 4.168 4.320 0.001 0.000 0.216 409 A C 2.415 179.994 177.584 -0.009 0.000 1.190 409 A CA 0.985 53.010 52.037 -0.019 0.000 0.617 409 A CB -0.833 18.153 19.000 -0.023 0.000 0.827 409 A HN 0.259 nan 8.150 nan 0.000 0.443 410 I N -0.115 120.446 120.570 -0.016 0.000 2.074 410 I HA -0.352 3.818 4.170 0.001 0.000 0.238 410 I C 2.406 178.525 176.117 0.004 0.000 1.037 410 I CA 2.049 63.341 61.300 -0.013 0.000 1.301 410 I CB -0.615 37.363 38.000 -0.037 0.000 1.016 410 I HN 0.224 nan 8.210 nan 0.000 0.400 411 V N 0.282 120.192 119.914 -0.006 0.000 2.277 411 V HA -0.336 3.785 4.120 0.001 0.000 0.253 411 V C 2.308 178.422 176.094 0.035 0.000 1.067 411 V CA 2.198 64.501 62.300 0.004 0.000 1.047 411 V CB -0.997 30.805 31.823 -0.035 0.000 0.649 411 V HN 0.314 nan 8.190 nan 0.000 0.447 412 V N -0.674 119.254 119.914 0.025 0.000 2.283 412 V HA -0.185 3.935 4.120 0.001 0.000 0.243 412 V C 2.391 178.515 176.094 0.051 0.000 1.039 412 V CA 1.888 64.211 62.300 0.039 0.000 1.016 412 V CB -0.357 31.481 31.823 0.026 0.000 0.650 412 V HN 0.391 nan 8.190 nan 0.000 0.449 413 V N 0.169 120.109 119.914 0.044 0.000 2.237 413 V HA -0.249 3.871 4.120 0.001 0.000 0.245 413 V C 2.668 178.799 176.094 0.063 0.000 1.046 413 V CA 2.317 64.648 62.300 0.051 0.000 1.007 413 V CB -0.689 31.159 31.823 0.041 0.000 0.638 413 V HN 0.614 nan 8.190 nan 0.000 0.445 414 E N 0.601 120.839 120.200 0.063 0.000 2.153 414 E HA -0.261 4.089 4.350 0.001 0.000 0.194 414 E C 2.007 178.662 176.600 0.092 0.000 0.988 414 E CA 1.831 58.279 56.400 0.079 0.000 0.811 414 E CB -0.430 29.312 29.700 0.071 0.000 0.746 414 E HN 0.732 nan 8.360 nan 0.000 0.466 415 N N -0.534 118.228 118.700 0.103 0.000 2.120 415 N HA -0.146 4.595 4.740 0.001 0.000 0.188 415 N C 1.904 177.467 175.510 0.088 0.000 1.024 415 N CA 1.817 54.943 53.050 0.127 0.000 0.852 415 N CB 0.193 38.786 38.487 0.178 0.000 1.003 415 N HN -0.013 nan 8.380 nan 0.000 0.424 416 V N 0.995 120.956 119.914 0.078 0.000 2.358 416 V HA -0.129 3.992 4.120 0.001 0.000 0.246 416 V C 2.154 178.286 176.094 0.063 0.000 1.047 416 V CA 1.344 63.682 62.300 0.063 0.000 1.035 416 V CB -0.683 31.175 31.823 0.058 0.000 0.658 416 V HN 0.316 nan 8.190 nan 0.000 0.452 417 E N 0.692 120.936 120.200 0.074 0.000 2.136 417 E HA -0.313 4.038 4.350 0.001 0.000 0.202 417 E C 2.302 178.951 176.600 0.083 0.000 1.019 417 E CA 2.219 58.670 56.400 0.085 0.000 0.819 417 E CB -0.341 29.420 29.700 0.103 0.000 0.739 417 E HN 0.710 nan 8.360 nan 0.000 0.458 418 R N 0.802 121.346 120.500 0.073 0.000 2.061 418 R HA -0.095 4.245 4.340 0.001 0.000 0.230 418 R C 2.349 178.674 176.300 0.041 0.000 1.140 418 R CA 1.606 57.741 56.100 0.059 0.000 0.940 418 R CB -0.478 29.844 30.300 0.036 0.000 0.839 418 R HN -0.013 nan 8.270 nan 0.000 0.429 419 V N 1.841 121.774 119.914 0.032 0.000 2.546 419 V HA -0.237 3.884 4.120 0.001 0.000 0.254 419 V C 1.906 178.016 176.094 0.026 0.000 1.076 419 V CA 1.850 64.163 62.300 0.022 0.000 1.087 419 V CB -0.476 31.363 31.823 0.025 0.000 0.674 419 V HN 0.437 nan 8.190 nan 0.000 0.470 420 M N -0.819 118.802 119.600 0.036 0.000 2.854 420 M HA 0.435 4.916 4.480 0.001 0.000 0.251 420 M C 0.802 177.122 176.300 0.032 0.000 1.301 420 M CA 0.645 55.964 55.300 0.032 0.000 1.059 420 M CB 0.139 32.762 32.600 0.038 0.000 1.419 420 M HN 0.361 nan 8.290 nan 0.000 0.467 421 A N -0.899 121.940 122.820 0.031 0.000 1.428 421 A HA 0.080 4.400 4.320 0.001 0.000 0.209 421 A C 1.478 179.076 177.584 0.024 0.000 1.887 421 A CA -0.102 51.954 52.037 0.031 0.000 1.545 421 A CB -0.051 18.985 19.000 0.059 0.000 1.456 421 A HN 0.284 nan 8.150 nan 0.000 0.330 422 E N 0.826 121.043 120.200 0.027 0.000 2.049 422 E HA -0.179 4.172 4.350 0.001 0.000 0.198 422 E C 1.470 178.072 176.600 0.005 0.000 1.007 422 E CA 1.985 58.393 56.400 0.014 0.000 0.809 422 E CB 0.063 29.765 29.700 0.002 0.000 0.749 422 E HN 0.573 nan 8.360 nan 0.000 0.450 423 E N -1.661 118.541 120.200 0.005 0.000 2.460 423 E HA 0.142 4.493 4.350 0.001 0.000 0.200 423 E C 0.784 177.385 176.600 0.002 0.000 1.011 423 E CA 0.677 57.078 56.400 0.002 0.000 0.912 423 E CB 0.782 30.483 29.700 0.002 0.000 0.953 423 E HN 0.307 nan 8.360 nan 0.000 0.494 424 G N 1.978 110.781 108.800 0.005 0.000 2.295 424 G HA2 -0.269 3.692 3.960 0.001 0.000 0.287 424 G HA3 -0.269 3.692 3.960 0.001 0.000 0.287 424 G C -0.083 174.819 174.900 0.004 0.000 1.055 424 G CA 0.344 45.446 45.100 0.003 0.000 0.922 424 G HN 0.194 nan 8.290 nan 0.000 0.503 425 L N -0.577 120.651 121.223 0.008 0.000 2.471 425 L HA 0.306 4.646 4.340 0.001 0.000 0.263 425 L C -1.352 175.527 176.870 0.014 0.000 0.985 425 L CA -2.205 52.640 54.840 0.009 0.000 0.868 425 L CB 2.335 44.398 42.059 0.007 0.000 1.203 425 L HN -0.079 nan 8.230 nan 0.000 0.429 426 P HA -0.039 nan 4.420 nan 0.000 0.216 426 P C -1.808 175.502 177.300 0.016 0.000 1.150 426 P CA 0.575 63.686 63.100 0.017 0.000 0.837 426 P CB -0.975 30.734 31.700 0.014 0.000 0.786 427 P HA -0.111 nan 4.420 nan 0.000 0.273 427 P C 1.269 178.576 177.300 0.011 0.000 1.237 427 P CA 0.560 63.665 63.100 0.009 0.000 0.813 427 P CB 0.211 31.915 31.700 0.007 0.000 0.930 428 K N 0.453 120.858 120.400 0.008 0.000 2.097 428 K HA -0.189 4.132 4.320 0.001 0.000 0.206 428 K C 1.681 178.289 176.600 0.015 0.000 1.049 428 K CA 1.751 58.044 56.287 0.010 0.000 0.933 428 K CB -0.215 32.287 32.500 0.004 0.000 0.717 428 K HN 0.427 nan 8.250 nan 0.000 0.442 429 E N 0.475 120.682 120.200 0.013 0.000 2.268 429 E HA -0.100 4.250 4.350 0.001 0.000 0.195 429 E C 1.725 178.335 176.600 0.017 0.000 0.995 429 E CA 0.898 57.307 56.400 0.014 0.000 0.836 429 E CB -0.081 29.626 29.700 0.011 0.000 0.763 429 E HN 0.299 nan 8.360 nan 0.000 0.491 430 A N 0.329 123.160 122.820 0.018 0.000 1.832 430 A HA -0.187 4.134 4.320 0.001 0.000 0.214 430 A C 2.341 179.942 177.584 0.028 0.000 1.200 430 A CA 2.013 54.062 52.037 0.021 0.000 0.610 430 A CB -1.145 17.867 19.000 0.021 0.000 0.842 430 A HN 0.265 nan 8.150 nan 0.000 0.444 431 T N -0.561 114.011 114.554 0.030 0.000 2.721 431 T HA -0.225 4.126 4.350 0.001 0.000 0.268 431 T C 1.999 176.721 174.700 0.037 0.000 1.038 431 T CA 1.841 63.963 62.100 0.037 0.000 1.145 431 T CB -0.249 68.640 68.868 0.035 0.000 0.858 431 T HN 0.556 nan 8.240 nan 0.000 0.459 432 R N 0.907 121.425 120.500 0.031 0.000 2.057 432 R HA 0.053 4.393 4.340 0.001 0.000 0.224 432 R C 1.755 178.075 176.300 0.032 0.000 1.136 432 R CA 1.025 57.143 56.100 0.030 0.000 0.968 432 R CB 0.040 30.355 30.300 0.025 0.000 0.863 432 R HN 0.152 nan 8.270 nan 0.000 0.433 433 K N 0.298 120.716 120.400 0.029 0.000 2.487 433 K HA 0.030 4.351 4.320 0.001 0.000 0.192 433 K C 1.686 178.308 176.600 0.037 0.000 1.027 433 K CA 0.703 57.008 56.287 0.030 0.000 1.054 433 K CB 0.536 33.049 32.500 0.022 0.000 0.824 433 K HN 0.240 nan 8.250 nan 0.000 0.510 434 S N 0.500 116.226 115.700 0.043 0.000 2.371 434 S HA -0.117 4.354 4.470 0.001 0.000 0.224 434 S C 1.710 176.358 174.600 0.081 0.000 1.029 434 S CA 0.783 59.019 58.200 0.059 0.000 0.978 434 S CB -0.203 63.033 63.200 0.061 0.000 0.833 434 S HN 0.227 nan 8.310 nan 0.000 0.466 435 M N 1.839 121.478 119.600 0.064 0.000 2.696 435 M HA 0.207 4.687 4.480 0.001 0.000 0.220 435 M C 1.847 178.177 176.300 0.051 0.000 1.133 435 M CA 0.316 55.652 55.300 0.060 0.000 1.016 435 M CB -0.332 32.295 32.600 0.044 0.000 1.740 435 M HN 0.592 nan 8.290 nan 0.000 0.502 436 G N 0.188 109.021 108.800 0.054 0.000 2.396 436 G HA2 -0.134 3.826 3.960 0.001 0.000 0.214 436 G HA3 -0.134 3.826 3.960 0.001 0.000 0.214 436 G C 1.494 176.433 174.900 0.066 0.000 1.166 436 G CA 0.244 45.372 45.100 0.047 0.000 0.793 436 G HN 0.426 nan 8.290 nan 0.000 0.533 437 Q N -0.349 119.516 119.800 0.108 0.000 2.269 437 Q HA 0.147 4.488 4.340 0.001 0.000 0.201 437 Q C 2.476 178.581 176.000 0.175 0.000 0.946 437 Q CA 0.506 56.417 55.803 0.180 0.000 0.877 437 Q CB 0.199 29.103 28.738 0.277 0.000 0.963 437 Q HN 0.554 nan 8.270 nan 0.000 0.472 438 I N 0.338 120.989 120.570 0.134 0.000 2.703 438 I HA -0.157 4.014 4.170 0.001 0.000 0.259 438 I C 2.592 178.717 176.117 0.013 0.000 1.151 438 I CA 0.470 61.811 61.300 0.067 0.000 1.470 438 I CB -0.180 37.869 38.000 0.082 0.000 1.112 438 I HN 0.117 nan 8.210 nan 0.000 0.437 439 Q N 1.856 121.666 119.800 0.018 0.000 2.084 439 Q HA -0.162 4.178 4.340 0.001 0.000 0.202 439 Q C 2.196 178.178 176.000 -0.031 0.000 0.978 439 Q CA 2.151 57.952 55.803 -0.004 0.000 0.844 439 Q CB -0.377 28.361 28.738 0.001 0.000 0.898 439 Q HN 0.508 nan 8.270 nan 0.000 0.426 440 G N 0.455 109.232 108.800 -0.039 0.000 2.450 440 G HA2 -0.211 3.750 3.960 0.001 0.000 0.220 440 G HA3 -0.211 3.750 3.960 0.001 0.000 0.220 440 G C 1.484 176.317 174.900 -0.112 0.000 1.130 440 G CA 1.252 46.295 45.100 -0.096 0.000 0.760 440 G HN 0.526 nan 8.290 nan 0.000 0.557 441 A N 0.734 123.523 122.820 -0.051 0.000 1.840 441 A HA 0.148 4.469 4.320 0.001 0.000 0.214 441 A C 2.424 179.998 177.584 -0.016 0.000 1.198 441 A CA 1.224 53.249 52.037 -0.020 0.000 0.608 441 A CB -0.534 18.406 19.000 -0.101 0.000 0.839 441 A HN 0.312 nan 8.150 nan 0.000 0.443 442 L N -0.223 120.979 121.223 -0.035 0.000 2.042 442 L HA -0.187 4.153 4.340 0.001 0.000 0.210 442 L C 2.388 179.242 176.870 -0.027 0.000 1.076 442 L CA 1.265 56.086 54.840 -0.032 0.000 0.749 442 L CB -0.533 41.510 42.059 -0.027 0.000 0.893 442 L HN 0.264 nan 8.230 nan 0.000 0.432 443 V N -0.459 119.436 119.914 -0.032 0.000 2.788 443 V HA -0.029 4.091 4.120 0.001 0.000 0.251 443 V C 2.430 178.509 176.094 -0.026 0.000 1.068 443 V CA 1.352 63.632 62.300 -0.032 0.000 1.090 443 V CB -0.817 30.981 31.823 -0.042 0.000 0.710 443 V HN 0.509 nan 8.190 nan 0.000 0.467 444 G N 1.905 110.689 108.800 -0.027 0.000 2.637 444 G HA2 -0.244 3.717 3.960 0.001 0.000 0.215 444 G HA3 -0.244 3.717 3.960 0.001 0.000 0.215 444 G C 1.525 176.515 174.900 0.150 0.000 1.289 444 G CA 1.334 46.473 45.100 0.065 0.000 0.816 444 G HN 0.567 nan 8.290 nan 0.000 0.580 445 I N 0.703 121.347 120.570 0.124 0.000 2.147 445 I HA -0.268 3.903 4.170 0.001 0.000 0.245 445 I C 2.984 179.093 176.117 -0.013 0.000 1.059 445 I CA 2.076 63.389 61.300 0.022 0.000 1.320 445 I CB -1.079 36.903 38.000 -0.031 0.000 1.021 445 I HN 0.233 nan 8.210 nan 0.000 0.415 446 A N 1.602 124.411 122.820 -0.019 0.000 1.909 446 A HA -0.279 4.041 4.320 0.001 0.000 0.221 446 A C 2.419 179.986 177.584 -0.028 0.000 1.223 446 A CA 2.942 54.957 52.037 -0.037 0.000 0.658 446 A CB -0.766 18.216 19.000 -0.029 0.000 0.831 446 A HN 0.560 nan 8.150 nan 0.000 0.462 447 M N -0.469 119.131 119.600 0.000 0.000 2.086 447 M HA -0.119 4.361 4.480 0.001 0.000 0.261 447 M C 2.120 178.425 176.300 0.008 0.000 1.067 447 M CA 1.683 56.989 55.300 0.011 0.000 1.116 447 M CB -1.386 31.232 32.600 0.031 0.000 1.348 447 M HN 0.344 nan 8.290 nan 0.000 0.407 448 V N -0.650 119.270 119.914 0.010 0.000 3.217 448 V HA -0.133 3.988 4.120 0.001 0.000 0.264 448 V C 2.272 178.350 176.094 -0.026 0.000 1.135 448 V CA 0.793 63.086 62.300 -0.012 0.000 1.142 448 V CB -1.115 30.682 31.823 -0.043 0.000 0.754 448 V HN 0.358 nan 8.190 nan 0.000 0.484 449 L N 1.169 122.359 121.223 -0.055 0.000 2.162 449 L HA -0.020 4.320 4.340 0.001 0.000 0.205 449 L C 2.578 179.395 176.870 -0.089 0.000 1.086 449 L CA 1.431 56.203 54.840 -0.113 0.000 0.778 449 L CB -0.517 41.423 42.059 -0.199 0.000 0.928 449 L HN 0.495 nan 8.230 nan 0.000 0.446 450 S N -0.143 115.524 115.700 -0.055 0.000 2.607 450 S HA 0.072 4.542 4.470 0.001 0.000 0.224 450 S C 1.732 176.353 174.600 0.035 0.000 0.969 450 S CA 0.462 58.661 58.200 -0.002 0.000 0.927 450 S CB 0.010 63.202 63.200 -0.014 0.000 0.772 450 S HN 0.285 nan 8.310 nan 0.000 0.533 451 A N 1.091 123.932 122.820 0.035 0.000 2.178 451 A HA 0.418 4.738 4.320 0.001 0.000 0.211 451 A C 2.004 179.617 177.584 0.048 0.000 1.157 451 A CA 0.675 52.735 52.037 0.037 0.000 0.780 451 A CB -0.304 18.710 19.000 0.024 0.000 0.828 451 A HN 1.064 nan 8.150 nan 0.000 0.476 452 V N -5.976 113.993 119.914 0.090 0.000 3.572 452 V HA 0.333 4.454 4.120 0.001 0.000 0.260 452 V C 1.760 177.882 176.094 0.046 0.000 1.324 452 V CA 0.359 62.705 62.300 0.077 0.000 1.068 452 V CB -0.711 31.180 31.823 0.113 0.000 0.837 452 V HN 0.161 nan 8.190 nan 0.000 0.450 453 F N 1.428 121.311 119.950 -0.111 0.000 2.164 453 F HA 0.215 4.743 4.527 0.001 0.000 0.287 453 F C 2.385 178.089 175.800 -0.160 0.000 1.086 453 F CA 2.063 59.987 58.000 -0.126 0.000 1.249 453 F CB -0.357 38.592 39.000 -0.085 0.000 1.059 453 F HN -0.056 nan 8.300 nan 0.000 0.490 454 V N 1.241 121.178 119.914 0.040 0.000 2.427 454 V HA -0.175 3.946 4.120 0.001 0.000 0.248 454 V C -0.620 175.245 176.094 -0.382 0.000 1.051 454 V CA 1.623 63.827 62.300 -0.161 0.000 1.048 454 V CB -2.015 29.732 31.823 -0.127 0.000 0.666 454 V HN 0.162 nan 8.190 nan 0.000 0.456 455 P HA -0.228 nan 4.420 nan 0.000 0.215 455 P C 1.899 179.130 177.300 -0.115 0.000 1.157 455 P CA 1.728 64.781 63.100 -0.080 0.000 0.874 455 P CB -0.198 31.504 31.700 0.002 0.000 0.790 456 M N -0.936 118.527 119.600 -0.229 0.000 2.492 456 M HA 0.044 4.524 4.480 0.001 0.000 0.262 456 M C 1.565 177.759 176.300 -0.176 0.000 1.090 456 M CA 1.055 56.174 55.300 -0.303 0.000 1.110 456 M CB -0.383 31.869 32.600 -0.579 0.000 1.407 456 M HN -0.155 nan 8.290 nan 0.000 0.470 457 A N -0.238 122.458 122.820 -0.205 0.000 2.239 457 A HA -0.029 4.291 4.320 0.001 0.000 0.209 457 A C 0.333 177.941 177.584 0.040 0.000 1.171 457 A CA 0.242 52.225 52.037 -0.090 0.000 0.768 457 A CB -0.909 18.004 19.000 -0.144 0.000 0.790 457 A HN 0.458 nan 8.150 nan 0.000 0.478 458 F N 1.776 121.824 119.950 0.163 0.000 2.733 458 F HA 0.291 4.818 4.527 0.001 0.000 0.344 458 F C 0.644 176.455 175.800 0.018 0.000 1.179 458 F CA -2.276 55.779 58.000 0.090 0.000 1.316 458 F CB -1.713 37.270 39.000 -0.030 0.000 1.577 458 F HN 0.316 nan 8.300 nan 0.000 0.591 459 F N -0.426 119.644 119.950 0.200 0.000 2.384 459 F HA 0.266 4.794 4.527 0.001 0.000 0.281 459 F C 0.515 176.407 175.800 0.153 0.000 0.890 459 F CA -0.464 57.644 58.000 0.180 0.000 1.128 459 F CB -0.387 38.696 39.000 0.137 0.000 0.888 459 F HN 0.325 nan 8.300 nan 0.000 0.641 460 G N 0.533 109.440 108.800 0.178 0.000 2.752 460 G HA2 0.652 4.613 3.960 0.001 0.000 0.298 460 G HA3 0.652 4.613 3.960 0.001 0.000 0.298 460 G C -0.381 174.583 174.900 0.107 0.000 1.434 460 G CA 0.136 45.267 45.100 0.051 0.000 1.004 460 G HN 2.116 nan 8.290 nan 0.000 0.560 461 G N 0.961 109.807 108.800 0.077 0.000 2.528 461 G HA2 -0.124 3.836 3.960 0.001 0.000 0.262 461 G HA3 -0.124 3.836 3.960 0.001 0.000 0.262 461 G C 1.417 176.357 174.900 0.066 0.000 1.200 461 G CA 0.730 45.865 45.100 0.059 0.000 0.951 461 G HN 1.650 nan 8.290 nan 0.000 0.566 462 S N 0.252 115.957 115.700 0.007 0.000 2.515 462 S HA 0.125 4.596 4.470 0.001 0.000 0.231 462 S C 1.850 176.463 174.600 0.022 0.000 0.987 462 S CA 1.707 59.889 58.200 -0.030 0.000 0.936 462 S CB -0.251 62.857 63.200 -0.153 0.000 0.766 462 S HN 0.858 nan 8.310 nan 0.000 0.528 463 T N 1.624 116.218 114.554 0.068 0.000 3.406 463 T HA 0.261 4.611 4.350 0.001 0.000 0.244 463 T C 1.375 176.149 174.700 0.123 0.000 0.949 463 T CA 0.082 62.231 62.100 0.081 0.000 0.926 463 T CB 0.189 69.072 68.868 0.025 0.000 1.089 463 T HN 0.368 nan 8.240 nan 0.000 0.604 464 G N 2.170 111.065 108.800 0.159 0.000 2.630 464 G HA2 0.105 4.066 3.960 0.001 0.000 0.195 464 G HA3 0.105 4.066 3.960 0.001 0.000 0.195 464 G C 1.719 176.625 174.900 0.009 0.000 1.493 464 G CA 0.308 45.569 45.100 0.269 0.000 0.890 464 G HN 0.503 nan 8.290 nan 0.000 0.475 465 A N -0.413 122.297 122.820 -0.182 0.000 2.194 465 A HA -0.014 4.306 4.320 0.001 0.000 0.220 465 A C 2.303 179.766 177.584 -0.202 0.000 1.162 465 A CA 1.502 53.342 52.037 -0.329 0.000 0.674 465 A CB -0.442 18.323 19.000 -0.392 0.000 0.789 465 A HN 0.339 nan 8.150 nan 0.000 0.470 466 I N -1.390 119.113 120.570 -0.112 0.000 2.044 466 I HA -0.310 3.861 4.170 0.001 0.000 0.234 466 I C 2.328 178.431 176.117 -0.023 0.000 1.031 466 I CA 1.978 63.195 61.300 -0.138 0.000 1.305 466 I CB -0.937 36.940 38.000 -0.205 0.000 1.026 466 I HN 0.490 nan 8.210 nan 0.000 0.392 467 Y N -0.533 119.803 120.300 0.061 0.000 2.337 467 Y HA -0.095 4.456 4.550 0.001 0.000 0.293 467 Y C 2.720 178.666 175.900 0.077 0.000 1.123 467 Y CA 0.353 58.505 58.100 0.087 0.000 1.201 467 Y CB -0.124 38.380 38.460 0.074 0.000 1.011 467 Y HN 0.120 nan 8.280 nan 0.000 0.545 468 R N 1.191 121.800 120.500 0.182 0.000 2.127 468 R HA -0.256 4.085 4.340 0.001 0.000 0.228 468 R C 1.943 178.291 176.300 0.080 0.000 1.125 468 R CA 2.334 58.462 56.100 0.047 0.000 0.904 468 R CB -0.611 29.490 30.300 -0.332 0.000 0.831 468 R HN 0.372 nan 8.270 nan 0.000 0.431 469 Q N -0.532 119.237 119.800 -0.051 0.000 2.173 469 Q HA -0.226 4.114 4.340 0.001 0.000 0.208 469 Q C 2.107 178.237 176.000 0.217 0.000 0.989 469 Q CA 2.185 57.988 55.803 0.000 0.000 0.872 469 Q CB -0.254 28.309 28.738 -0.291 0.000 0.909 469 Q HN 0.466 nan 8.270 nan 0.000 0.420 470 F N 0.031 120.038 119.950 0.094 0.000 2.075 470 F HA -0.275 4.252 4.527 0.001 0.000 0.297 470 F C 2.853 178.764 175.800 0.185 0.000 1.113 470 F CA 0.856 58.943 58.000 0.146 0.000 1.218 470 F CB -0.065 39.021 39.000 0.143 0.000 0.984 470 F HN 0.113 nan 8.300 nan 0.000 0.472 471 S N 0.547 116.446 115.700 0.330 0.000 2.354 471 S HA -0.259 4.211 4.470 0.001 0.000 0.219 471 S C 1.967 176.781 174.600 0.357 0.000 1.035 471 S CA 1.617 59.999 58.200 0.304 0.000 1.037 471 S CB -0.711 62.546 63.200 0.095 0.000 0.956 471 S HN 0.350 nan 8.310 nan 0.000 0.428 472 I N 1.801 122.518 120.570 0.245 0.000 2.194 472 I HA -0.148 4.023 4.170 0.001 0.000 0.246 472 I C 2.266 178.516 176.117 0.222 0.000 1.093 472 I CA 2.221 63.641 61.300 0.200 0.000 1.355 472 I CB -1.190 36.920 38.000 0.184 0.000 1.046 472 I HN 0.331 nan 8.210 nan 0.000 0.413 473 T N 0.862 115.587 114.554 0.285 0.000 2.759 473 T HA -0.131 4.219 4.350 0.001 0.000 0.269 473 T C 1.844 176.649 174.700 0.175 0.000 1.042 473 T CA 2.204 64.451 62.100 0.244 0.000 1.140 473 T CB -0.352 68.689 68.868 0.288 0.000 0.864 473 T HN 0.405 nan 8.240 nan 0.000 0.455 474 I N -0.011 120.689 120.570 0.217 0.000 3.427 474 I HA 0.036 4.207 4.170 0.001 0.000 0.288 474 I C 2.091 178.177 176.117 -0.052 0.000 1.249 474 I CA 0.238 61.600 61.300 0.102 0.000 1.421 474 I CB 0.111 38.245 38.000 0.223 0.000 1.086 474 I HN 0.058 nan 8.210 nan 0.000 0.448 475 V N 0.574 120.504 119.914 0.028 0.000 2.446 475 V HA -0.186 3.934 4.120 0.001 0.000 0.244 475 V C 2.654 178.742 176.094 -0.010 0.000 1.039 475 V CA 1.939 64.219 62.300 -0.034 0.000 1.045 475 V CB -0.271 31.579 31.823 0.045 0.000 0.681 475 V HN 0.575 nan 8.190 nan 0.000 0.459 476 S N 1.619 117.346 115.700 0.044 0.000 2.370 476 S HA -0.232 4.239 4.470 0.001 0.000 0.226 476 S C 2.100 176.693 174.600 -0.011 0.000 1.033 476 S CA 1.652 59.877 58.200 0.041 0.000 1.011 476 S CB -0.696 62.552 63.200 0.081 0.000 0.852 476 S HN 0.569 nan 8.310 nan 0.000 0.457 477 A N 2.249 125.055 122.820 -0.024 0.000 1.972 477 A HA 0.052 4.372 4.320 0.001 0.000 0.219 477 A C 2.311 179.848 177.584 -0.078 0.000 1.169 477 A CA 1.694 53.695 52.037 -0.059 0.000 0.635 477 A CB -0.762 18.205 19.000 -0.055 0.000 0.810 477 A HN 0.733 nan 8.150 nan 0.000 0.446 478 M N -0.427 119.116 119.600 -0.095 0.000 2.156 478 M HA -0.016 4.464 4.480 0.001 0.000 0.264 478 M C 2.186 178.440 176.300 -0.078 0.000 1.067 478 M CA 1.858 57.089 55.300 -0.115 0.000 1.131 478 M CB -0.504 31.990 32.600 -0.176 0.000 1.368 478 M HN 0.331 nan 8.290 nan 0.000 0.416 479 A N 1.214 124.000 122.820 -0.057 0.000 1.898 479 A HA -0.072 4.248 4.320 0.001 0.000 0.216 479 A C 2.070 179.631 177.584 -0.039 0.000 1.181 479 A CA 1.374 53.389 52.037 -0.038 0.000 0.620 479 A CB -0.982 18.008 19.000 -0.016 0.000 0.819 479 A HN 0.611 nan 8.150 nan 0.000 0.442 480 L N 0.434 121.630 121.223 -0.045 0.000 2.141 480 L HA -0.154 4.186 4.340 0.001 0.000 0.209 480 L C 2.916 179.750 176.870 -0.060 0.000 1.094 480 L CA 1.493 56.301 54.840 -0.053 0.000 0.763 480 L CB -0.387 41.634 42.059 -0.063 0.000 0.908 480 L HN 0.593 nan 8.230 nan 0.000 0.437 481 S N -1.218 114.444 115.700 -0.064 0.000 2.436 481 S HA -0.065 4.405 4.470 0.001 0.000 0.228 481 S C 1.843 176.411 174.600 -0.053 0.000 1.014 481 S CA 0.748 58.910 58.200 -0.063 0.000 0.950 481 S CB -0.296 62.863 63.200 -0.069 0.000 0.784 481 S HN 0.149 nan 8.310 nan 0.000 0.504 482 V N 1.616 121.500 119.914 -0.049 0.000 2.446 482 V HA 0.082 4.203 4.120 0.001 0.000 0.244 482 V C 2.460 178.536 176.094 -0.030 0.000 1.039 482 V CA 1.341 63.618 62.300 -0.040 0.000 1.045 482 V CB -0.615 31.184 31.823 -0.039 0.000 0.681 482 V HN 0.443 nan 8.190 nan 0.000 0.459 483 L N -0.582 120.623 121.223 -0.030 0.000 2.141 483 L HA -0.108 4.233 4.340 0.001 0.000 0.209 483 L C 2.389 179.243 176.870 -0.026 0.000 1.094 483 L CA 0.899 55.725 54.840 -0.023 0.000 0.763 483 L CB -0.594 41.451 42.059 -0.023 0.000 0.908 483 L HN 0.167 nan 8.230 nan 0.000 0.437 484 V N -0.011 119.879 119.914 -0.040 0.000 2.427 484 V HA -0.185 3.935 4.120 0.001 0.000 0.248 484 V C 2.464 178.537 176.094 -0.035 0.000 1.051 484 V CA 1.654 63.924 62.300 -0.051 0.000 1.048 484 V CB -0.571 31.208 31.823 -0.073 0.000 0.666 484 V HN 0.466 nan 8.190 nan 0.000 0.456 485 A N -1.095 121.707 122.820 -0.029 0.000 2.238 485 A HA 0.194 4.515 4.320 0.001 0.000 0.208 485 A C 1.799 179.380 177.584 -0.005 0.000 1.177 485 A CA 0.715 52.742 52.037 -0.017 0.000 0.804 485 A CB -0.201 18.784 19.000 -0.024 0.000 0.823 485 A HN 0.545 nan 8.150 nan 0.000 0.482 486 L N -1.856 119.365 121.223 -0.003 0.000 2.858 486 L HA 0.375 4.715 4.340 0.001 0.000 0.251 486 L C 1.305 178.187 176.870 0.020 0.000 1.149 486 L CA 0.173 55.017 54.840 0.007 0.000 0.955 486 L CB 0.341 42.401 42.059 0.002 0.000 1.289 486 L HN 0.324 nan 8.230 nan 0.000 0.542 487 I N -2.091 118.490 120.570 0.019 0.000 3.685 487 I HA 0.002 4.172 4.170 0.001 0.000 0.258 487 I C 1.522 177.668 176.117 0.048 0.000 1.135 487 I CA 0.057 61.379 61.300 0.037 0.000 1.436 487 I CB 0.161 38.179 38.000 0.029 0.000 1.670 487 I HN -0.022 nan 8.210 nan 0.000 0.424 488 L N 0.872 122.100 121.223 0.007 0.000 1.982 488 L HA -0.014 4.326 4.340 0.001 0.000 0.206 488 L C 2.332 179.224 176.870 0.036 0.000 1.078 488 L CA 2.405 57.236 54.840 -0.016 0.000 0.749 488 L CB -1.051 40.916 42.059 -0.153 0.000 0.894 488 L HN 0.190 nan 8.230 nan 0.000 0.436 489 T N 0.826 115.384 114.554 0.005 0.000 2.685 489 T HA -0.140 4.211 4.350 0.001 0.000 0.268 489 T C -0.499 174.236 174.700 0.058 0.000 1.034 489 T CA 2.190 64.307 62.100 0.029 0.000 1.149 489 T CB -1.367 67.504 68.868 0.006 0.000 0.860 489 T HN 0.343 nan 8.240 nan 0.000 0.449 490 P HA -0.028 nan 4.420 nan 0.000 0.215 490 P C 1.558 178.904 177.300 0.077 0.000 1.157 490 P CA 1.381 64.515 63.100 0.058 0.000 0.868 490 P CB -0.205 31.523 31.700 0.047 0.000 0.788 491 A N -0.369 122.515 122.820 0.105 0.000 1.825 491 A HA -0.170 4.150 4.320 0.001 0.000 0.214 491 A C 2.261 179.940 177.584 0.159 0.000 1.206 491 A CA 1.404 53.519 52.037 0.130 0.000 0.609 491 A CB -1.719 17.398 19.000 0.195 0.000 0.851 491 A HN 0.111 nan 8.150 nan 0.000 0.445 492 L N -0.528 120.875 121.223 0.301 0.000 2.123 492 L HA -0.335 4.005 4.340 0.001 0.000 0.217 492 L C 2.731 179.694 176.870 0.155 0.000 1.081 492 L CA 2.135 57.175 54.840 0.333 0.000 0.772 492 L CB -0.314 41.990 42.059 0.409 0.000 0.890 492 L HN 0.683 nan 8.230 nan 0.000 0.437 493 C N -1.091 118.278 119.300 0.114 0.000 2.466 493 C HA -0.023 4.437 4.460 0.001 0.000 0.278 493 C C 2.974 177.997 174.990 0.055 0.000 1.288 493 C CA 0.701 59.766 59.018 0.077 0.000 1.722 493 C CB -0.822 26.958 27.740 0.067 0.000 2.017 493 C HN 0.660 nan 8.230 nan 0.000 0.488 494 A N -0.054 122.795 122.820 0.048 0.000 1.854 494 A HA -0.066 4.255 4.320 0.001 0.000 0.214 494 A C 2.252 179.840 177.584 0.006 0.000 1.192 494 A CA 2.455 54.507 52.037 0.026 0.000 0.611 494 A CB -1.542 17.472 19.000 0.022 0.000 0.832 494 A HN 0.571 nan 8.150 nan 0.000 0.442 495 T N -1.204 113.346 114.554 -0.006 0.000 2.594 495 T HA -0.182 4.168 4.350 0.001 0.000 0.266 495 T C 0.816 175.494 174.700 -0.037 0.000 1.070 495 T CA 1.937 64.007 62.100 -0.050 0.000 1.166 495 T CB -0.208 68.603 68.868 -0.094 0.000 0.862 495 T HN 0.400 nan 8.240 nan 0.000 0.436 496 M N 0.056 119.655 119.600 -0.002 0.000 2.488 496 M HA 0.281 4.762 4.480 0.001 0.000 0.174 496 M C -0.951 175.374 176.300 0.041 0.000 0.963 496 M CA -0.223 55.082 55.300 0.009 0.000 0.900 496 M CB 1.272 33.865 32.600 -0.012 0.000 2.927 496 M HN 0.209 nan 8.290 nan 0.000 0.394 497 L N 2.868 124.117 121.223 0.044 0.000 2.526 497 L HA 0.484 4.825 4.340 0.001 0.000 0.210 497 L C 0.516 177.423 176.870 0.060 0.000 1.048 497 L CA 1.319 56.193 54.840 0.057 0.000 0.852 497 L CB 0.029 42.123 42.059 0.057 0.000 1.128 497 L HN 0.574 nan 8.230 nan 0.000 0.482 514 G N -0.115 108.561 108.800 -0.207 0.000 2.509 514 G HA2 -0.118 3.843 3.960 0.001 0.000 0.218 514 G HA3 -0.118 3.843 3.960 0.001 0.000 0.218 514 G C 0.573 175.554 174.900 0.136 0.000 1.124 514 G CA 0.571 45.652 45.100 -0.032 0.000 0.776 514 G HN 0.535 nan 8.290 nan 0.000 0.547 515 W N 0.023 121.483 121.300 0.268 0.000 2.476 515 W HA 0.241 4.901 4.660 0.001 0.000 0.281 515 W C 1.794 178.382 176.519 0.115 0.000 1.230 515 W CA -0.419 57.010 57.345 0.140 0.000 1.287 515 W CB -1.360 28.137 29.460 0.062 0.000 1.108 515 W HN 0.136 nan 8.180 nan 0.000 0.567 516 F N 1.952 122.029 119.950 0.213 0.000 2.113 516 F HA -0.181 4.347 4.527 0.001 0.000 0.297 516 F C 2.238 178.183 175.800 0.242 0.000 1.103 516 F CA 1.323 59.462 58.000 0.231 0.000 1.248 516 F CB -1.309 37.767 39.000 0.128 0.000 0.999 516 F HN -0.153 nan 8.300 nan 0.000 0.475 517 N N 0.432 119.311 118.700 0.299 0.000 2.137 517 N HA -0.179 4.561 4.740 0.001 0.000 0.190 517 N C 1.891 177.503 175.510 0.170 0.000 1.017 517 N CA 1.315 54.469 53.050 0.174 0.000 0.859 517 N CB -0.360 38.185 38.487 0.097 0.000 1.002 517 N HN 0.346 nan 8.380 nan 0.000 0.428 518 R N -0.281 120.323 120.500 0.174 0.000 2.093 518 R HA 0.112 4.453 4.340 0.001 0.000 0.224 518 R C 2.229 178.572 176.300 0.073 0.000 1.101 518 R CA 0.566 56.745 56.100 0.131 0.000 0.979 518 R CB -0.143 30.240 30.300 0.138 0.000 0.877 518 R HN 0.145 nan 8.270 nan 0.000 0.441 519 M N 0.087 119.701 119.600 0.024 0.000 2.064 519 M HA -0.069 4.411 4.480 0.001 0.000 0.260 519 M C 1.688 177.889 176.300 -0.165 0.000 1.073 519 M CA 1.789 56.994 55.300 -0.158 0.000 1.124 519 M CB -0.410 31.955 32.600 -0.391 0.000 1.326 519 M HN 0.044 nan 8.290 nan 0.000 0.410 520 F N 0.824 120.718 119.950 -0.093 0.000 2.250 520 F HA -0.202 4.326 4.527 0.001 0.000 0.301 520 F C 2.467 178.186 175.800 -0.135 0.000 1.077 520 F CA 1.619 59.566 58.000 -0.090 0.000 1.348 520 F CB -0.553 38.415 39.000 -0.054 0.000 1.040 520 F HN 0.389 nan 8.300 nan 0.000 0.509 521 E N 0.831 121.060 120.200 0.049 0.000 1.999 521 E HA -0.235 4.115 4.350 0.001 0.000 0.194 521 E C 2.142 178.729 176.600 -0.022 0.000 0.995 521 E CA 1.267 57.608 56.400 -0.098 0.000 0.825 521 E CB -0.027 29.715 29.700 0.070 0.000 0.777 521 E HN 0.092 nan 8.360 nan 0.000 0.459 522 K N 0.713 121.203 120.400 0.150 0.000 2.059 522 K HA -0.184 4.136 4.320 0.001 0.000 0.212 522 K C 2.315 178.988 176.600 0.121 0.000 1.050 522 K CA 1.616 58.044 56.287 0.235 0.000 0.927 522 K CB -0.717 31.853 32.500 0.117 0.000 0.714 522 K HN 0.079 nan 8.250 nan 0.000 0.447 523 S N -0.500 115.188 115.700 -0.020 0.000 2.359 523 S HA -0.200 4.271 4.470 0.001 0.000 0.223 523 S C 1.883 176.527 174.600 0.074 0.000 1.039 523 S CA 2.191 60.355 58.200 -0.059 0.000 1.042 523 S CB -0.481 62.598 63.200 -0.203 0.000 0.915 523 S HN 0.429 nan 8.310 nan 0.000 0.439 524 T N 0.742 115.309 114.554 0.021 0.000 2.978 524 T HA 0.137 4.488 4.350 0.001 0.000 0.262 524 T C 0.912 175.686 174.700 0.122 0.000 1.063 524 T CA 0.722 62.849 62.100 0.045 0.000 1.140 524 T CB -0.212 68.645 68.868 -0.017 0.000 0.886 524 T HN 0.579 nan 8.240 nan 0.000 0.470 525 H N -0.608 118.464 119.070 0.004 0.000 2.965 525 H HA 0.229 4.786 4.556 0.001 0.000 0.220 525 H C 1.438 176.739 175.328 -0.044 0.000 1.548 525 H CA -0.941 55.032 56.048 -0.125 0.000 1.658 525 H CB 0.429 29.985 29.762 -0.343 0.000 1.509 525 H HN 0.107 nan 8.280 nan 0.000 0.930 526 H N -0.861 118.335 119.070 0.209 0.000 1.453 526 H HA -0.402 4.155 4.556 0.001 0.000 0.090 526 H C 1.963 177.380 175.328 0.148 0.000 1.310 526 H CA 2.531 58.676 56.048 0.161 0.000 1.901 526 H CB -1.590 28.271 29.762 0.164 0.000 2.257 526 H HN 0.650 nan 8.280 nan 0.000 0.961 527 Y N 1.681 122.031 120.300 0.085 0.000 2.079 527 Y HA -0.195 4.355 4.550 0.001 0.000 0.267 527 Y C 2.971 178.859 175.900 -0.020 0.000 1.104 527 Y CA 2.708 60.704 58.100 -0.174 0.000 1.086 527 Y CB -0.718 37.537 38.460 -0.342 0.000 0.989 527 Y HN 0.320 nan 8.280 nan 0.000 0.477 528 T N 0.425 114.992 114.554 0.022 0.000 2.881 528 T HA -0.144 4.206 4.350 0.001 0.000 0.270 528 T C 1.226 175.875 174.700 -0.085 0.000 1.068 528 T CA 1.416 63.475 62.100 -0.069 0.000 1.131 528 T CB -0.369 68.555 68.868 0.093 0.000 0.871 528 T HN 0.364 nan 8.240 nan 0.000 0.479 529 D N 1.524 121.911 120.400 -0.021 0.000 2.097 529 D HA -0.072 4.568 4.640 0.001 0.000 0.197 529 D C 2.516 178.786 176.300 -0.050 0.000 0.984 529 D CA 1.605 55.586 54.000 -0.031 0.000 0.826 529 D CB -0.470 40.319 40.800 -0.019 0.000 0.973 529 D HN 0.513 nan 8.370 nan 0.000 0.460 530 S N -0.110 115.582 115.700 -0.013 0.000 2.428 530 S HA -0.063 4.407 4.470 0.001 0.000 0.230 530 S C 2.161 176.701 174.600 -0.101 0.000 1.014 530 S CA 0.407 58.604 58.200 -0.005 0.000 0.957 530 S CB -0.483 62.787 63.200 0.115 0.000 0.784 530 S HN 0.062 nan 8.310 nan 0.000 0.499 531 V N 2.356 122.156 119.914 -0.191 0.000 2.407 531 V HA -0.079 4.042 4.120 0.001 0.000 0.248 531 V C 2.837 178.734 176.094 -0.328 0.000 1.055 531 V CA 1.847 63.961 62.300 -0.310 0.000 1.049 531 V CB -1.573 29.982 31.823 -0.447 0.000 0.662 531 V HN 0.665 nan 8.190 nan 0.000 0.455 532 G N -0.055 108.599 108.800 -0.244 0.000 2.402 532 G HA2 -0.127 3.833 3.960 0.001 0.000 0.216 532 G HA3 -0.127 3.833 3.960 0.001 0.000 0.216 532 G C 1.622 176.404 174.900 -0.196 0.000 1.162 532 G CA 0.850 45.818 45.100 -0.219 0.000 0.777 532 G HN 0.574 nan 8.290 nan 0.000 0.539 533 G N 1.534 110.247 108.800 -0.145 0.000 2.422 533 G HA2 -0.167 3.794 3.960 0.001 0.000 0.218 533 G HA3 -0.167 3.794 3.960 0.001 0.000 0.218 533 G C 1.837 176.657 174.900 -0.133 0.000 1.146 533 G CA 1.017 46.059 45.100 -0.097 0.000 0.769 533 G HN 0.650 nan 8.290 nan 0.000 0.547 534 I N -1.822 118.607 120.570 -0.235 0.000 2.439 534 I HA 0.090 4.261 4.170 0.001 0.000 0.251 534 I C 2.371 178.156 176.117 -0.553 0.000 1.139 534 I CA 0.878 61.921 61.300 -0.428 0.000 1.438 534 I CB -0.257 37.492 38.000 -0.418 0.000 1.085 534 I HN 0.066 nan 8.210 nan 0.000 0.427 535 L N 1.014 121.911 121.223 -0.543 0.000 2.217 535 L HA -0.036 4.304 4.340 0.001 0.000 0.211 535 L C 2.967 179.628 176.870 -0.348 0.000 1.107 535 L CA 0.949 55.430 54.840 -0.597 0.000 0.783 535 L CB -0.395 41.359 42.059 -0.509 0.000 0.919 535 L HN 0.233 nan 8.230 nan 0.000 0.442 536 R N -0.094 120.273 120.500 -0.221 0.000 2.062 536 R HA -0.055 4.286 4.340 0.001 0.000 0.231 536 R C 1.347 177.613 176.300 -0.057 0.000 1.136 536 R CA 1.127 57.157 56.100 -0.118 0.000 0.948 536 R CB -0.778 29.478 30.300 -0.073 0.000 0.845 536 R HN 0.356 nan 8.270 nan 0.000 0.430 537 S N -0.422 115.274 115.700 -0.006 0.000 2.608 537 S HA 0.216 4.687 4.470 0.001 0.000 0.261 537 S C 0.549 175.255 174.600 0.177 0.000 1.314 537 S CA -0.177 58.099 58.200 0.127 0.000 0.992 537 S CB 1.813 65.190 63.200 0.295 0.000 0.935 537 S HN 0.202 nan 8.310 nan 0.000 0.564 538 T N -0.563 114.169 114.554 0.296 0.000 3.853 538 T HA 0.221 4.572 4.350 0.001 0.000 0.296 538 T C 1.677 176.552 174.700 0.292 0.000 0.928 538 T CA 0.104 62.425 62.100 0.370 0.000 1.190 538 T CB -1.160 67.826 68.868 0.197 0.000 1.066 538 T HN 0.697 nan 8.240 nan 0.000 0.458 539 G N 1.430 110.343 108.800 0.188 0.000 2.471 539 G HA2 -0.155 3.806 3.960 0.001 0.000 0.219 539 G HA3 -0.155 3.806 3.960 0.001 0.000 0.219 539 G C 1.401 176.370 174.900 0.115 0.000 1.125 539 G CA 1.241 46.417 45.100 0.127 0.000 0.775 539 G HN 0.460 nan 8.290 nan 0.000 0.548 540 R N -0.985 119.608 120.500 0.155 0.000 2.057 540 R HA -0.014 4.327 4.340 0.001 0.000 0.229 540 R C 2.108 178.418 176.300 0.016 0.000 1.136 540 R CA 0.994 57.140 56.100 0.078 0.000 0.952 540 R CB -0.463 29.886 30.300 0.080 0.000 0.848 540 R HN 0.350 nan 8.270 nan 0.000 0.430 541 Y N 0.728 121.008 120.300 -0.034 0.000 2.352 541 Y HA -0.121 4.430 4.550 0.001 0.000 0.292 541 Y C 2.011 177.787 175.900 -0.206 0.000 1.136 541 Y CA 0.942 58.924 58.100 -0.197 0.000 1.227 541 Y CB -0.254 37.886 38.460 -0.533 0.000 0.991 541 Y HN 0.154 nan 8.280 nan 0.000 0.545 542 L N -0.741 120.503 121.223 0.035 0.000 2.017 542 L HA -0.166 4.175 4.340 0.001 0.000 0.208 542 L C 2.089 179.006 176.870 0.079 0.000 1.073 542 L CA 1.555 56.417 54.840 0.038 0.000 0.745 542 L CB -0.748 41.350 42.059 0.064 0.000 0.894 542 L HN 0.003 nan 8.230 nan 0.000 0.432 543 V N -0.470 119.472 119.914 0.045 0.000 2.759 543 V HA -0.218 3.903 4.120 0.001 0.000 0.256 543 V C 2.382 178.477 176.094 0.000 0.000 1.080 543 V CA 1.481 63.797 62.300 0.026 0.000 1.101 543 V CB -0.396 31.431 31.823 0.006 0.000 0.698 543 V HN 0.477 nan 8.190 nan 0.000 0.477 544 L N -0.756 120.452 121.223 -0.026 0.000 2.072 544 L HA -0.116 4.225 4.340 0.001 0.000 0.205 544 L C 2.283 179.143 176.870 -0.015 0.000 1.079 544 L CA 1.810 56.614 54.840 -0.060 0.000 0.752 544 L CB -0.648 41.329 42.059 -0.136 0.000 0.906 544 L HN 0.455 nan 8.230 nan 0.000 0.436 545 Y N -0.448 119.800 120.300 -0.086 0.000 2.274 545 Y HA -0.226 4.324 4.550 0.001 0.000 0.290 545 Y C 1.988 177.861 175.900 -0.045 0.000 1.145 545 Y CA 1.714 59.776 58.100 -0.063 0.000 1.203 545 Y CB -0.146 38.278 38.460 -0.060 0.000 0.984 545 Y HN 0.171 nan 8.280 nan 0.000 0.533 546 L N -0.551 120.711 121.223 0.066 0.000 2.044 546 L HA -0.196 4.145 4.340 0.001 0.000 0.205 546 L C 2.437 179.252 176.870 -0.091 0.000 1.075 546 L CA 1.258 56.093 54.840 -0.010 0.000 0.747 546 L CB -0.644 41.444 42.059 0.048 0.000 0.903 546 L HN 0.213 nan 8.230 nan 0.000 0.435 547 I N 0.189 120.715 120.570 -0.072 0.000 2.335 547 I HA -0.324 3.846 4.170 0.001 0.000 0.251 547 I C 2.451 178.499 176.117 -0.114 0.000 1.129 547 I CA 1.550 62.800 61.300 -0.084 0.000 1.402 547 I CB -0.081 37.875 38.000 -0.074 0.000 1.069 547 I HN 0.232 nan 8.210 nan 0.000 0.424 548 I N -0.219 120.253 120.570 -0.165 0.000 2.252 548 I HA -0.240 3.930 4.170 0.001 0.000 0.245 548 I C 2.218 178.215 176.117 -0.201 0.000 1.102 548 I CA 1.117 62.304 61.300 -0.188 0.000 1.385 548 I CB -0.188 37.665 38.000 -0.245 0.000 1.064 548 I HN -0.013 nan 8.210 nan 0.000 0.414 549 V N 0.050 119.799 119.914 -0.275 0.000 3.217 549 V HA -0.109 4.011 4.120 0.001 0.000 0.264 549 V C 2.192 178.212 176.094 -0.122 0.000 1.135 549 V CA 0.703 62.865 62.300 -0.229 0.000 1.142 549 V CB 0.036 31.683 31.823 -0.292 0.000 0.754 549 V HN 0.217 nan 8.190 nan 0.000 0.484 550 V N 1.182 121.039 119.914 -0.094 0.000 2.283 550 V HA -0.093 4.028 4.120 0.001 0.000 0.243 550 V C 2.668 178.759 176.094 -0.006 0.000 1.039 550 V CA 2.245 64.517 62.300 -0.046 0.000 1.016 550 V CB -1.302 30.491 31.823 -0.050 0.000 0.650 550 V HN 0.558 nan 8.190 nan 0.000 0.449 551 G N -0.958 107.833 108.800 -0.015 0.000 2.418 551 G HA2 -0.292 3.668 3.960 0.001 0.000 0.217 551 G HA3 -0.292 3.668 3.960 0.001 0.000 0.217 551 G C 1.635 176.581 174.900 0.078 0.000 1.158 551 G CA 1.027 46.150 45.100 0.038 0.000 0.771 551 G HN 0.321 nan 8.290 nan 0.000 0.545 552 M N 0.964 120.570 119.600 0.011 0.000 2.089 552 M HA -0.168 4.312 4.480 0.001 0.000 0.257 552 M C 2.821 179.152 176.300 0.051 0.000 1.071 552 M CA 1.938 57.243 55.300 0.008 0.000 1.096 552 M CB -0.370 32.183 32.600 -0.079 0.000 1.330 552 M HN 0.330 nan 8.290 nan 0.000 0.403 553 A N -1.028 121.813 122.820 0.034 0.000 1.877 553 A HA -0.256 4.064 4.320 0.001 0.000 0.216 553 A C 1.918 179.614 177.584 0.186 0.000 1.186 553 A CA 1.632 53.711 52.037 0.071 0.000 0.620 553 A CB -1.271 17.751 19.000 0.038 0.000 0.822 553 A HN 0.685 nan 8.150 nan 0.000 0.443 554 Y N 0.433 120.767 120.300 0.057 0.000 2.352 554 Y HA -0.011 4.539 4.550 0.001 0.000 0.292 554 Y C 1.798 177.743 175.900 0.075 0.000 1.136 554 Y CA 1.204 59.338 58.100 0.058 0.000 1.227 554 Y CB -0.080 38.395 38.460 0.025 0.000 0.991 554 Y HN 0.203 nan 8.280 nan 0.000 0.545 555 L N -1.205 120.094 121.223 0.127 0.000 2.465 555 L HA -0.128 4.213 4.340 0.001 0.000 0.224 555 L C 1.710 178.632 176.870 0.086 0.000 1.145 555 L CA 1.063 55.946 54.840 0.072 0.000 0.834 555 L CB -0.449 41.682 42.059 0.122 0.000 0.944 555 L HN 0.326 nan 8.230 nan 0.000 0.451 556 F N -1.085 118.836 119.950 -0.048 0.000 2.637 556 F HA 0.076 4.604 4.527 0.001 0.000 0.284 556 F C 1.937 177.705 175.800 -0.054 0.000 1.105 556 F CA 0.342 58.329 58.000 -0.021 0.000 1.356 556 F CB 0.281 39.270 39.000 -0.018 0.000 1.096 556 F HN -0.299 nan 8.300 nan 0.000 0.616 557 V N 1.282 121.226 119.914 0.049 0.000 2.346 557 V HA -0.124 3.996 4.120 0.001 0.000 0.244 557 V C 2.246 178.233 176.094 -0.179 0.000 1.037 557 V CA 1.482 63.753 62.300 -0.048 0.000 1.029 557 V CB -0.537 31.303 31.823 0.029 0.000 0.663 557 V HN 0.186 nan 8.190 nan 0.000 0.454 558 R N -0.228 120.110 120.500 -0.269 0.000 2.275 558 R HA 0.191 4.531 4.340 0.001 0.000 0.199 558 R C 0.834 177.008 176.300 -0.210 0.000 0.989 558 R CA 0.041 55.971 56.100 -0.283 0.000 1.016 558 R CB -0.706 29.305 30.300 -0.481 0.000 0.918 558 R HN 0.386 nan 8.270 nan 0.000 0.473 559 L N 4.685 125.786 121.223 -0.203 0.000 2.500 559 L HA 0.107 4.447 4.340 0.001 0.000 0.272 559 L C -1.796 174.981 176.870 -0.156 0.000 1.149 559 L CA -1.451 53.292 54.840 -0.162 0.000 0.897 559 L CB 0.663 42.638 42.059 -0.141 0.000 1.178 559 L HN -0.075 nan 8.230 nan 0.000 0.473 560 P HA 0.008 nan 4.420 nan 0.000 0.269 560 P C -1.059 176.201 177.300 -0.065 0.000 1.215 560 P CA -0.355 62.694 63.100 -0.085 0.000 0.780 560 P CB 1.162 32.823 31.700 -0.064 0.000 0.898 561 S N 0.996 116.669 115.700 -0.044 0.000 2.532 561 S HA 0.428 4.899 4.470 0.001 0.000 0.318 561 S C -0.265 174.351 174.600 0.027 0.000 1.083 561 S CA -0.429 57.767 58.200 -0.007 0.000 1.131 561 S CB -0.303 62.889 63.200 -0.013 0.000 0.973 561 S HN 0.369 nan 8.310 nan 0.000 0.468 562 S N 3.696 119.423 115.700 0.045 0.000 2.690 562 S HA 0.500 4.971 4.470 0.001 0.000 0.291 562 S C 0.327 174.997 174.600 0.117 0.000 1.138 562 S CA -0.656 57.587 58.200 0.073 0.000 1.013 562 S CB 1.001 64.233 63.200 0.054 0.000 1.053 562 S HN 0.757 nan 8.310 nan 0.000 0.539 563 F N 0.785 120.722 119.950 -0.022 0.000 2.123 563 F HA 0.468 4.995 4.527 0.001 0.000 0.289 563 F C 0.123 175.879 175.800 -0.073 0.000 1.099 563 F CA 0.798 58.768 58.000 -0.050 0.000 1.234 563 F CB 0.100 39.056 39.000 -0.072 0.000 1.034 563 F HN 0.397 nan 8.300 nan 0.000 0.479 564 L N 0.932 122.096 121.223 -0.098 0.000 2.549 564 L HA 0.422 4.762 4.340 0.001 0.000 0.259 564 L C -2.688 174.204 176.870 0.037 0.000 0.934 564 L CA -1.871 52.849 54.840 -0.200 0.000 0.865 564 L CB 1.573 43.423 42.059 -0.348 0.000 1.352 564 L HN -0.122 nan 8.230 nan 0.000 0.410 565 P HA 0.160 nan 4.420 nan 0.000 0.271 565 P C -1.248 176.156 177.300 0.173 0.000 1.220 565 P CA -0.088 63.108 63.100 0.160 0.000 0.768 565 P CB 0.635 32.470 31.700 0.225 0.000 0.848 566 D N 3.071 123.549 120.400 0.130 0.000 2.304 566 D HA 0.158 4.798 4.640 0.001 0.000 0.250 566 D C 0.556 176.937 176.300 0.135 0.000 1.107 566 D CA 0.209 54.284 54.000 0.125 0.000 0.885 566 D CB 1.542 42.394 40.800 0.086 0.000 1.192 566 D HN 0.524 nan 8.370 nan 0.000 0.436 567 E N 0.445 120.740 120.200 0.158 0.000 2.416 567 E HA 0.229 4.579 4.350 0.001 0.000 0.273 567 E C -0.878 175.803 176.600 0.134 0.000 0.935 567 E CA -0.963 55.540 56.400 0.171 0.000 0.784 567 E CB 1.606 31.460 29.700 0.257 0.000 1.301 567 E HN 0.100 nan 8.360 nan 0.000 0.454 568 D N 0.723 121.223 120.400 0.166 0.000 2.531 568 D HA -0.083 4.558 4.640 0.001 0.000 0.239 568 D C -0.151 176.273 176.300 0.207 0.000 1.144 568 D CA 0.851 54.960 54.000 0.182 0.000 0.869 568 D CB 0.865 41.849 40.800 0.307 0.000 1.160 568 D HN 0.466 nan 8.370 nan 0.000 0.484 569 Q N 1.852 121.600 119.800 -0.085 0.000 2.149 569 Q HA 0.220 4.561 4.340 0.001 0.000 0.221 569 Q C 1.106 176.867 176.000 -0.398 0.000 0.807 569 Q CA 0.163 55.705 55.803 -0.435 0.000 1.000 569 Q CB 0.948 29.322 28.738 -0.607 0.000 1.157 569 Q HN 0.787 nan 8.270 nan 0.000 0.487 570 G N 0.924 109.382 108.800 -0.570 0.000 2.168 570 G HA2 -0.255 3.706 3.960 0.001 0.000 0.257 570 G HA3 -0.255 3.706 3.960 0.001 0.000 0.257 570 G C -0.066 174.625 174.900 -0.348 0.000 0.997 570 G CA 0.503 45.177 45.100 -0.711 0.000 0.708 570 G HN 0.241 nan 8.290 nan 0.000 0.520 571 V N 0.031 119.799 119.914 -0.242 0.000 2.781 571 V HA 0.609 4.729 4.120 0.001 0.000 0.289 571 V C -0.308 175.669 176.094 -0.195 0.000 1.275 571 V CA -0.383 61.765 62.300 -0.252 0.000 0.936 571 V CB 1.329 32.950 31.823 -0.338 0.000 1.074 571 V HN 1.053 nan 8.190 nan 0.000 0.444 572 F N 4.438 124.157 119.950 -0.384 0.000 2.790 572 F HA 0.980 5.508 4.527 0.001 0.000 0.337 572 F C -0.564 175.016 175.800 -0.368 0.000 1.163 572 F CA -1.067 56.709 58.000 -0.373 0.000 0.997 572 F CB 2.096 40.931 39.000 -0.274 0.000 1.437 572 F HN 0.556 nan 8.300 nan 0.000 0.512 573 M N 0.678 119.939 119.600 -0.566 0.000 3.213 573 M HA 0.719 5.200 4.480 0.001 0.000 0.278 573 M C -1.793 174.164 176.300 -0.571 0.000 1.332 573 M CA -0.534 54.446 55.300 -0.534 0.000 0.810 573 M CB 2.085 34.590 32.600 -0.158 0.000 1.676 573 M HN 0.937 nan 8.290 nan 0.000 0.463 574 T N 1.431 115.839 114.554 -0.243 0.000 3.435 574 T HA 0.555 4.906 4.350 0.001 0.000 0.344 574 T C -1.073 173.658 174.700 0.052 0.000 1.211 574 T CA -0.804 61.231 62.100 -0.109 0.000 1.104 574 T CB 1.253 70.114 68.868 -0.012 0.000 1.196 574 T HN 0.939 nan 8.240 nan 0.000 0.471 575 M N 3.386 123.101 119.600 0.191 0.000 2.573 575 M HA 0.913 5.393 4.480 0.001 0.000 0.309 575 M C -1.186 175.061 176.300 -0.089 0.000 1.202 575 M CA -0.794 54.583 55.300 0.127 0.000 0.975 575 M CB 1.712 34.480 32.600 0.281 0.000 1.600 575 M HN 0.303 nan 8.290 nan 0.000 0.479 576 V N 1.043 120.897 119.914 -0.100 0.000 2.960 576 V HA 0.643 4.763 4.120 0.001 0.000 0.315 576 V C -0.987 175.033 176.094 -0.123 0.000 1.087 576 V CA -0.484 61.710 62.300 -0.176 0.000 0.982 576 V CB 1.742 33.477 31.823 -0.146 0.000 1.039 576 V HN 0.935 nan 8.190 nan 0.000 0.437 577 Q N 2.469 122.182 119.800 -0.145 0.000 2.567 577 Q HA 0.430 4.770 4.340 0.001 0.000 0.233 577 Q C -1.910 174.052 176.000 -0.064 0.000 0.833 577 Q CA -0.185 55.572 55.803 -0.076 0.000 0.844 577 Q CB 1.114 29.818 28.738 -0.056 0.000 1.423 577 Q HN 0.612 nan 8.270 nan 0.000 0.442 578 L N 4.539 125.740 121.223 -0.036 0.000 2.456 578 L HA 0.606 4.946 4.340 0.001 0.000 0.257 578 L C -1.664 175.207 176.870 0.001 0.000 1.162 578 L CA -1.507 53.319 54.840 -0.023 0.000 0.808 578 L CB 0.255 42.304 42.059 -0.017 0.000 1.136 578 L HN 0.613 nan 8.230 nan 0.000 0.466 579 P HA 0.013 nan 4.420 nan 0.000 0.274 579 P C -0.866 176.457 177.300 0.038 0.000 1.264 579 P CA -0.491 62.624 63.100 0.024 0.000 0.795 579 P CB 0.309 32.021 31.700 0.021 0.000 1.064 580 A N -0.274 122.579 122.820 0.054 0.000 2.522 580 A HA 0.408 4.729 4.320 0.001 0.000 0.256 580 A C 1.342 178.972 177.584 0.076 0.000 1.086 580 A CA 0.585 52.668 52.037 0.076 0.000 0.763 580 A CB -1.747 17.314 19.000 0.102 0.000 1.024 580 A HN 0.885 nan 8.150 nan 0.000 0.502 581 G N 1.194 110.041 108.800 0.079 0.000 2.198 581 G HA2 0.164 4.124 3.960 0.001 0.000 0.257 581 G HA3 0.164 4.124 3.960 0.001 0.000 0.257 581 G C 0.511 175.445 174.900 0.057 0.000 1.042 581 G CA 0.463 45.611 45.100 0.080 0.000 0.791 581 G HN 2.078 nan 8.290 nan 0.000 0.502 582 A N -0.473 122.372 122.820 0.040 0.000 2.296 582 A HA 0.855 5.175 4.320 0.001 0.000 0.264 582 A C 1.029 178.625 177.584 0.020 0.000 1.097 582 A CA 0.951 53.002 52.037 0.023 0.000 0.811 582 A CB 0.416 19.423 19.000 0.012 0.000 1.072 582 A HN 1.439 nan 8.150 nan 0.000 0.495 583 T N -1.241 113.318 114.554 0.009 0.000 2.922 583 T HA 0.384 4.734 4.350 0.001 0.000 0.281 583 T C 0.927 175.625 174.700 -0.003 0.000 1.005 583 T CA -0.162 61.940 62.100 0.004 0.000 0.982 583 T CB 1.120 69.985 68.868 -0.004 0.000 1.158 583 T HN 0.659 nan 8.240 nan 0.000 0.566 584 Q N -0.336 119.461 119.800 -0.006 0.000 2.230 584 Q HA -0.101 4.240 4.340 0.001 0.000 0.202 584 Q C 2.018 178.005 176.000 -0.021 0.000 0.963 584 Q CA 1.149 56.946 55.803 -0.010 0.000 0.866 584 Q CB 0.033 28.767 28.738 -0.006 0.000 0.931 584 Q HN 0.787 nan 8.270 nan 0.000 0.452 585 E N 0.203 120.388 120.200 -0.026 0.000 2.072 585 E HA -0.183 4.168 4.350 0.001 0.000 0.190 585 E C 2.045 178.626 176.600 -0.032 0.000 0.982 585 E CA 0.545 56.925 56.400 -0.032 0.000 0.803 585 E CB 0.081 29.759 29.700 -0.036 0.000 0.755 585 E HN 0.245 nan 8.360 nan 0.000 0.453 586 R N -0.033 120.451 120.500 -0.027 0.000 2.066 586 R HA -0.102 4.238 4.340 0.001 0.000 0.232 586 R C 2.407 178.686 176.300 -0.035 0.000 1.131 586 R CA 1.847 57.930 56.100 -0.028 0.000 0.955 586 R CB -0.531 29.758 30.300 -0.019 0.000 0.851 586 R HN 0.032 nan 8.270 nan 0.000 0.432 587 T N -0.110 114.424 114.554 -0.033 0.000 2.915 587 T HA -0.145 4.205 4.350 0.001 0.000 0.269 587 T C 1.677 176.344 174.700 -0.054 0.000 1.071 587 T CA 1.420 63.495 62.100 -0.042 0.000 1.132 587 T CB -0.047 68.802 68.868 -0.031 0.000 0.878 587 T HN 0.262 nan 8.240 nan 0.000 0.479 588 Q N 1.328 121.098 119.800 -0.050 0.000 2.167 588 Q HA 0.036 4.376 4.340 0.001 0.000 0.202 588 Q C 2.197 178.151 176.000 -0.076 0.000 0.970 588 Q CA 1.577 57.344 55.803 -0.060 0.000 0.855 588 Q CB -0.363 28.345 28.738 -0.049 0.000 0.911 588 Q HN 0.481 nan 8.270 nan 0.000 0.438 589 K N -0.558 119.801 120.400 -0.067 0.000 2.097 589 K HA -0.098 4.223 4.320 0.001 0.000 0.206 589 K C 1.682 178.230 176.600 -0.086 0.000 1.049 589 K CA 1.482 57.725 56.287 -0.073 0.000 0.933 589 K CB 0.037 32.505 32.500 -0.053 0.000 0.717 589 K HN 0.201 nan 8.250 nan 0.000 0.442 590 V N 1.623 121.489 119.914 -0.081 0.000 2.323 590 V HA -0.219 3.902 4.120 0.001 0.000 0.244 590 V C 2.364 178.387 176.094 -0.118 0.000 1.041 590 V CA 1.325 63.571 62.300 -0.089 0.000 1.025 590 V CB -0.369 31.399 31.823 -0.092 0.000 0.656 590 V HN 0.243 nan 8.190 nan 0.000 0.451 591 L N 0.464 121.612 121.223 -0.125 0.000 2.191 591 L HA -0.146 4.194 4.340 0.001 0.000 0.212 591 L C 2.419 179.184 176.870 -0.175 0.000 1.103 591 L CA 1.274 56.031 54.840 -0.138 0.000 0.769 591 L CB -0.672 41.319 42.059 -0.112 0.000 0.908 591 L HN 0.373 nan 8.230 nan 0.000 0.438 592 N N -0.087 118.486 118.700 -0.212 0.000 2.142 592 N HA -0.162 4.579 4.740 0.001 0.000 0.186 592 N C 1.703 176.926 175.510 -0.478 0.000 1.023 592 N CA 1.182 53.997 53.050 -0.392 0.000 0.852 592 N CB -0.041 38.260 38.487 -0.311 0.000 0.998 592 N HN 0.462 nan 8.380 nan 0.000 0.424 593 E N 0.348 120.414 120.200 -0.224 0.000 2.150 593 E HA -0.073 4.277 4.350 0.001 0.000 0.193 593 E C 1.902 178.499 176.600 -0.005 0.000 0.985 593 E CA 0.629 56.972 56.400 -0.094 0.000 0.814 593 E CB 0.184 29.870 29.700 -0.023 0.000 0.752 593 E HN 0.108 nan 8.360 nan 0.000 0.466 594 V N 0.944 120.835 119.914 -0.038 0.000 2.407 594 V HA -0.173 3.948 4.120 0.001 0.000 0.245 594 V C 2.234 178.233 176.094 -0.158 0.000 1.041 594 V CA 1.900 64.197 62.300 -0.005 0.000 1.040 594 V CB -0.500 31.200 31.823 -0.206 0.000 0.671 594 V HN 0.283 nan 8.190 nan 0.000 0.455 595 T N -0.806 113.698 114.554 -0.083 0.000 2.881 595 T HA -0.164 4.186 4.350 0.001 0.000 0.270 595 T C 1.681 176.552 174.700 0.285 0.000 1.068 595 T CA 1.538 63.689 62.100 0.085 0.000 1.131 595 T CB -0.279 68.654 68.868 0.108 0.000 0.871 595 T HN 0.534 nan 8.240 nan 0.000 0.479 596 H N -1.127 117.936 119.070 -0.011 0.000 2.562 596 H HA 0.250 4.807 4.556 0.001 0.000 0.267 596 H C 1.512 176.857 175.328 0.029 0.000 0.959 596 H CA -0.541 55.513 56.048 0.011 0.000 1.204 596 H CB -0.494 29.270 29.762 0.002 0.000 1.430 596 H HN 0.441 nan 8.280 nan 0.000 0.545 597 Y N 0.357 120.660 120.300 0.005 0.000 2.274 597 Y HA -0.271 4.279 4.550 0.001 0.000 0.290 597 Y C 1.238 177.186 175.900 0.081 0.000 1.145 597 Y CA 1.320 59.389 58.100 -0.051 0.000 1.203 597 Y CB -0.132 38.204 38.460 -0.206 0.000 0.984 597 Y HN 0.046 nan 8.280 nan 0.000 0.533 598 Y N -0.718 119.690 120.300 0.179 0.000 2.365 598 Y HA -0.038 4.513 4.550 0.001 0.000 0.293 598 Y C 2.133 178.025 175.900 -0.013 0.000 1.119 598 Y CA 0.624 58.774 58.100 0.082 0.000 1.203 598 Y CB -0.827 37.729 38.460 0.160 0.000 1.026 598 Y HN 0.129 nan 8.280 nan 0.000 0.549 599 L N -1.520 119.782 121.223 0.132 0.000 2.209 599 L HA -0.079 4.262 4.340 0.001 0.000 0.207 599 L C 2.335 179.176 176.870 -0.048 0.000 1.094 599 L CA 1.700 56.541 54.840 0.001 0.000 0.790 599 L CB -0.259 41.738 42.059 -0.105 0.000 0.932 599 L HN 0.164 nan 8.230 nan 0.000 0.447 600 T N -1.397 113.126 114.554 -0.052 0.000 3.038 600 T HA 0.054 4.404 4.350 0.001 0.000 0.244 600 T C 1.351 175.990 174.700 -0.102 0.000 1.016 600 T CA 0.279 62.337 62.100 -0.071 0.000 1.098 600 T CB 0.290 69.126 68.868 -0.052 0.000 0.954 600 T HN 0.075 nan 8.240 nan 0.000 0.469 601 K N 0.983 121.274 120.400 -0.183 0.000 2.576 601 K HA 0.317 4.637 4.320 0.001 0.000 0.209 601 K C -0.251 176.172 176.600 -0.294 0.000 1.049 601 K CA 0.108 56.227 56.287 -0.280 0.000 1.140 601 K CB 0.621 32.845 32.500 -0.461 0.000 0.871 601 K HN 0.141 nan 8.250 nan 0.000 0.479 602 E N 0.157 120.266 120.200 -0.152 0.000 3.887 602 E HA 0.082 4.433 4.350 0.001 0.000 0.210 602 E C -0.153 176.431 176.600 -0.027 0.000 1.087 602 E CA 0.102 56.458 56.400 -0.074 0.000 1.464 602 E CB 0.209 29.905 29.700 -0.007 0.000 1.200 602 E HN -0.022 nan 8.360 nan 0.000 0.387 603 K N -0.477 119.900 120.400 -0.038 0.000 2.116 603 K HA 0.040 4.361 4.320 0.001 0.000 0.203 603 K C 1.074 177.660 176.600 -0.022 0.000 1.052 603 K CA 1.042 57.312 56.287 -0.028 0.000 0.952 603 K CB 0.103 32.583 32.500 -0.033 0.000 0.729 603 K HN 0.100 nan 8.250 nan 0.000 0.446 604 N N 0.691 119.377 118.700 -0.024 0.000 2.381 604 N HA -0.079 4.661 4.740 0.001 0.000 0.182 604 N C 0.895 176.393 175.510 -0.019 0.000 1.025 604 N CA 1.073 54.113 53.050 -0.018 0.000 0.888 604 N CB 0.060 38.538 38.487 -0.016 0.000 0.965 604 N HN 0.271 nan 8.380 nan 0.000 0.438 605 N N -1.080 117.606 118.700 -0.023 0.000 2.511 605 N HA 0.112 4.852 4.740 0.001 0.000 0.190 605 N C -0.524 174.965 175.510 -0.035 0.000 1.037 605 N CA 0.030 53.063 53.050 -0.029 0.000 0.895 605 N CB 0.644 39.115 38.487 -0.025 0.000 1.149 605 N HN -0.144 nan 8.380 nan 0.000 0.437 606 V N 1.834 121.733 119.914 -0.025 0.000 2.498 606 V HA 0.080 4.201 4.120 0.001 0.000 0.279 606 V C 0.953 177.034 176.094 -0.023 0.000 1.048 606 V CA 0.215 62.495 62.300 -0.033 0.000 0.967 606 V CB 1.484 33.294 31.823 -0.022 0.000 0.988 606 V HN 0.241 nan 8.190 nan 0.000 0.473 607 E N 3.422 123.608 120.200 -0.023 0.000 2.201 607 E HA 0.081 4.432 4.350 0.001 0.000 0.193 607 E C 0.588 177.195 176.600 0.013 0.000 0.957 607 E CA 0.859 57.259 56.400 -0.000 0.000 0.858 607 E CB 0.506 30.210 29.700 0.008 0.000 0.816 607 E HN 0.796 nan 8.360 nan 0.000 0.475 608 S N -0.447 115.266 115.700 0.021 0.000 2.584 608 S HA 0.505 4.976 4.470 0.001 0.000 0.280 608 S C -0.886 173.754 174.600 0.067 0.000 1.162 608 S CA -0.784 57.429 58.200 0.022 0.000 0.951 608 S CB 0.768 64.108 63.200 0.233 0.000 1.108 608 S HN -0.032 nan 8.310 nan 0.000 0.464 609 V N 2.950 122.867 119.914 0.005 0.000 2.966 609 V HA 0.754 4.874 4.120 0.001 0.000 0.317 609 V C -0.606 175.647 176.094 0.265 0.000 1.070 609 V CA -0.780 61.599 62.300 0.132 0.000 1.008 609 V CB 1.407 33.323 31.823 0.156 0.000 1.070 609 V HN 0.944 nan 8.190 nan 0.000 0.457 610 F N 1.579 121.613 119.950 0.140 0.000 3.167 610 F HA 0.691 5.219 4.527 0.001 0.000 0.389 610 F C 0.300 176.103 175.800 0.005 0.000 1.233 610 F CA -0.406 57.675 58.000 0.134 0.000 1.238 610 F CB 0.269 39.369 39.000 0.167 0.000 1.971 610 F HN 0.656 nan 8.300 nan 0.000 0.651 611 A N 2.443 125.179 122.820 -0.140 0.000 2.366 611 A HA 0.717 5.037 4.320 0.001 0.000 0.249 611 A C -0.881 176.582 177.584 -0.201 0.000 1.084 611 A CA -0.229 51.732 52.037 -0.126 0.000 0.794 611 A CB 0.738 19.677 19.000 -0.102 0.000 1.034 611 A HN 0.547 nan 8.150 nan 0.000 0.491 612 V N 2.140 121.996 119.914 -0.096 0.000 2.610 612 V HA 0.233 4.353 4.120 0.001 0.000 0.298 612 V C -0.340 175.752 176.094 -0.003 0.000 1.067 612 V CA -0.672 61.618 62.300 -0.016 0.000 0.894 612 V CB 1.600 33.483 31.823 0.100 0.000 1.015 612 V HN 1.006 nan 8.190 nan 0.000 0.432 613 N N 3.236 121.936 118.700 0.001 0.000 2.426 613 N HA 0.538 5.278 4.740 0.001 0.000 0.257 613 N C 0.792 176.323 175.510 0.035 0.000 1.002 613 N CA 0.632 53.683 53.050 0.002 0.000 0.942 613 N CB 1.065 39.542 38.487 -0.017 0.000 1.112 613 N HN 1.137 nan 8.380 nan 0.000 0.499 614 G N 3.413 112.243 108.800 0.050 0.000 2.143 614 G HA2 -0.205 3.755 3.960 0.001 0.000 0.175 614 G HA3 -0.205 3.755 3.960 0.001 0.000 0.175 614 G C -0.424 174.565 174.900 0.148 0.000 1.004 614 G CA -0.335 44.807 45.100 0.069 0.000 0.671 614 G HN 0.613 nan 8.290 nan 0.000 0.512 615 F N 1.309 121.227 119.950 -0.054 0.000 2.959 615 F HA 0.552 5.079 4.527 0.001 0.000 0.379 615 F C 0.585 176.355 175.800 -0.049 0.000 1.215 615 F CA -0.430 57.522 58.000 -0.080 0.000 1.190 615 F CB 0.478 39.392 39.000 -0.144 0.000 1.574 615 F HN 0.261 nan 8.300 nan 0.000 0.575 616 G N 1.708 110.509 108.800 0.002 0.000 2.557 616 G HA2 0.179 4.139 3.960 0.001 0.000 0.292 616 G HA3 0.179 4.139 3.960 0.001 0.000 0.292 616 G C -0.435 174.368 174.900 -0.161 0.000 1.237 616 G CA -0.377 44.677 45.100 -0.076 0.000 0.978 616 G HN 0.573 nan 8.290 nan 0.000 0.498 617 F N 0.462 120.400 119.950 -0.019 0.000 2.727 617 F HA 0.293 4.820 4.527 0.001 0.000 0.302 617 F C 2.272 178.110 175.800 0.063 0.000 1.097 617 F CA 0.126 58.141 58.000 0.025 0.000 1.330 617 F CB 0.293 39.321 39.000 0.047 0.000 1.084 617 F HN 0.434 nan 8.300 nan 0.000 0.578 618 A N -0.262 122.693 122.820 0.225 0.000 1.841 618 A HA 0.383 4.704 4.320 0.001 0.000 0.214 618 A C 1.913 179.598 177.584 0.168 0.000 1.195 618 A CA 1.857 53.996 52.037 0.170 0.000 0.611 618 A CB -0.936 18.140 19.000 0.126 0.000 0.835 618 A HN 0.429 nan 8.150 nan 0.000 0.443 619 G N -1.995 106.899 108.800 0.156 0.000 3.091 619 G HA2 0.438 4.398 3.960 0.001 0.000 0.137 619 G HA3 0.438 4.398 3.960 0.001 0.000 0.137 619 G C -0.466 174.544 174.900 0.184 0.000 1.180 619 G CA -0.227 44.971 45.100 0.164 0.000 1.466 619 G HN 0.415 nan 8.290 nan 0.000 0.704 620 R N -0.613 119.961 120.500 0.123 0.000 2.888 620 R HA 0.695 5.035 4.340 0.001 0.000 0.264 620 R C -0.436 175.909 176.300 0.074 0.000 1.045 620 R CA -0.150 56.012 56.100 0.102 0.000 0.962 620 R CB 2.157 32.486 30.300 0.049 0.000 1.210 620 R HN 1.664 nan 8.270 nan 0.000 0.479 621 G N 0.182 109.018 108.800 0.061 0.000 2.335 621 G HA2 -0.105 3.856 3.960 0.001 0.000 0.592 621 G HA3 -0.105 3.856 3.960 0.001 0.000 0.592 621 G C -0.370 174.556 174.900 0.043 0.000 1.442 621 G CA -0.815 44.313 45.100 0.048 0.000 0.976 621 G HN 0.541 nan 8.290 nan 0.000 0.652 622 Q N -0.284 119.537 119.800 0.035 0.000 2.488 622 Q HA -0.031 4.309 4.340 0.001 0.000 0.211 622 Q C 2.131 178.143 176.000 0.020 0.000 0.967 622 Q CA 1.073 56.891 55.803 0.026 0.000 0.926 622 Q CB 0.017 28.768 28.738 0.022 0.000 0.992 622 Q HN 0.513 nan 8.270 nan 0.000 0.506 623 N N 0.400 119.116 118.700 0.026 0.000 2.173 623 N HA -0.077 4.664 4.740 0.001 0.000 0.184 623 N C 1.149 176.664 175.510 0.009 0.000 1.025 623 N CA 1.345 54.406 53.050 0.019 0.000 0.852 623 N CB -0.592 37.913 38.487 0.030 0.000 0.998 623 N HN 0.293 nan 8.380 nan 0.000 0.427 624 T N -1.721 112.848 114.554 0.025 0.000 2.726 624 T HA 0.596 4.946 4.350 0.001 0.000 0.294 624 T C 0.657 175.362 174.700 0.008 0.000 1.013 624 T CA -0.200 61.914 62.100 0.023 0.000 0.996 624 T CB 1.326 70.227 68.868 0.056 0.000 1.016 624 T HN 0.309 nan 8.240 nan 0.000 0.529 625 G N -0.716 108.080 108.800 -0.007 0.000 2.451 625 G HA2 0.549 4.509 3.960 0.001 0.000 0.292 625 G HA3 0.549 4.509 3.960 0.001 0.000 0.292 625 G C -1.921 172.954 174.900 -0.043 0.000 1.427 625 G CA -0.610 44.475 45.100 -0.026 0.000 0.792 625 G HN 1.040 nan 8.290 nan 0.000 0.498 626 I N -1.032 119.506 120.570 -0.052 0.000 3.099 626 I HA 0.741 4.912 4.170 0.001 0.000 0.308 626 I C -1.324 174.781 176.117 -0.019 0.000 1.405 626 I CA -0.661 60.632 61.300 -0.012 0.000 0.953 626 I CB 2.202 40.201 38.000 -0.002 0.000 1.324 626 I HN 1.499 nan 8.210 nan 0.000 0.495 627 A N 3.780 126.648 122.820 0.081 0.000 2.429 627 A HA 0.707 5.027 4.320 0.001 0.000 0.289 627 A C -1.825 175.958 177.584 0.331 0.000 1.043 627 A CA -0.293 51.814 52.037 0.118 0.000 0.722 627 A CB 0.729 19.783 19.000 0.090 0.000 1.243 627 A HN 0.366 nan 8.150 nan 0.000 0.415 628 F N 2.904 122.965 119.950 0.185 0.000 2.335 628 F HA 0.394 4.921 4.527 0.001 0.000 0.365 628 F C 0.479 176.282 175.800 0.006 0.000 1.122 628 F CA -1.082 57.002 58.000 0.141 0.000 1.151 628 F CB 0.926 40.114 39.000 0.313 0.000 1.282 628 F HN 0.305 nan 8.300 nan 0.000 0.513 629 V N 2.120 121.951 119.914 -0.140 0.000 2.834 629 V HA 0.403 4.524 4.120 0.001 0.000 0.301 629 V C 0.407 176.367 176.094 -0.225 0.000 1.066 629 V CA -0.431 61.664 62.300 -0.343 0.000 1.052 629 V CB 1.582 32.767 31.823 -1.063 0.000 1.021 629 V HN 0.717 nan 8.190 nan 0.000 0.480 630 S N 3.831 119.462 115.700 -0.114 0.000 2.496 630 S HA 0.532 5.003 4.470 0.001 0.000 0.221 630 S C -0.682 173.876 174.600 -0.070 0.000 1.260 630 S CA -0.603 57.562 58.200 -0.058 0.000 1.181 630 S CB -0.015 63.223 63.200 0.064 0.000 1.136 630 S HN 0.553 nan 8.310 nan 0.000 0.467 631 L N 2.850 124.006 121.223 -0.112 0.000 2.476 631 L HA 0.408 4.748 4.340 0.001 0.000 0.264 631 L C 1.011 177.796 176.870 -0.141 0.000 1.224 631 L CA -0.530 54.243 54.840 -0.112 0.000 0.821 631 L CB 0.335 42.321 42.059 -0.122 0.000 1.101 631 L HN 0.373 nan 8.230 nan 0.000 0.488 632 K N 1.899 122.231 120.400 -0.112 0.000 2.319 632 K HA 0.025 4.345 4.320 0.001 0.000 0.265 632 K C -0.319 176.173 176.600 -0.179 0.000 1.000 632 K CA -0.184 56.044 56.287 -0.099 0.000 0.943 632 K CB 0.472 32.941 32.500 -0.051 0.000 0.950 632 K HN 0.708 nan 8.250 nan 0.000 0.485 633 D N 0.922 121.236 120.400 -0.144 0.000 2.370 633 D HA -0.146 4.494 4.640 0.001 0.000 0.235 633 D C 0.679 176.924 176.300 -0.091 0.000 1.228 633 D CA 0.146 54.033 54.000 -0.188 0.000 0.884 633 D CB 0.312 41.117 40.800 0.009 0.000 1.201 633 D HN 0.487 nan 8.370 nan 0.000 0.456 634 W N 0.330 121.659 121.300 0.047 0.000 2.519 634 W HA 0.222 4.882 4.660 0.001 0.000 0.266 634 W C 2.479 179.021 176.519 0.037 0.000 1.253 634 W CA 0.556 57.929 57.345 0.046 0.000 1.274 634 W CB -0.929 28.570 29.460 0.065 0.000 1.114 634 W HN 0.572 nan 8.180 nan 0.000 0.596 635 A N 0.890 123.870 122.820 0.266 0.000 1.929 635 A HA -0.144 4.177 4.320 0.001 0.000 0.216 635 A C 1.259 178.905 177.584 0.103 0.000 1.176 635 A CA 1.785 53.917 52.037 0.159 0.000 0.628 635 A CB -0.768 18.311 19.000 0.131 0.000 0.816 635 A HN 0.178 nan 8.150 nan 0.000 0.444 636 D N -0.852 119.596 120.400 0.081 0.000 2.349 636 D HA 0.084 4.724 4.640 0.001 0.000 0.224 636 D C 0.526 176.849 176.300 0.038 0.000 1.029 636 D CA 0.383 54.411 54.000 0.047 0.000 0.879 636 D CB 0.080 40.896 40.800 0.028 0.000 0.906 636 D HN 0.255 nan 8.370 nan 0.000 0.528 637 R N 0.703 121.238 120.500 0.058 0.000 2.477 637 R HA 0.177 4.517 4.340 0.001 0.000 0.285 637 R C -1.766 174.576 176.300 0.071 0.000 1.415 637 R CA -1.112 55.017 56.100 0.048 0.000 1.446 637 R CB 1.430 31.751 30.300 0.035 0.000 1.110 637 R HN 0.071 nan 8.270 nan 0.000 0.590 638 P HA -0.030 nan 4.420 nan 0.000 0.216 638 P C 0.807 178.135 177.300 0.046 0.000 1.156 638 P CA 0.656 63.788 63.100 0.053 0.000 0.855 638 P CB 0.271 31.994 31.700 0.039 0.000 0.786 639 G N 0.269 109.089 108.800 0.032 0.000 2.634 639 G HA2 -0.031 3.929 3.960 0.001 0.000 0.255 639 G HA3 -0.031 3.929 3.960 0.001 0.000 0.255 639 G C 0.770 175.687 174.900 0.027 0.000 1.205 639 G CA -0.250 44.865 45.100 0.025 0.000 0.884 639 G HN 0.113 nan 8.290 nan 0.000 0.549 640 E N -0.254 119.958 120.200 0.020 0.000 2.347 640 E HA -0.098 4.253 4.350 0.001 0.000 0.196 640 E C 1.751 178.355 176.600 0.006 0.000 1.008 640 E CA 0.568 56.979 56.400 0.018 0.000 0.852 640 E CB 0.194 29.901 29.700 0.012 0.000 0.783 640 E HN 0.512 nan 8.360 nan 0.000 0.505 641 E N 0.534 120.736 120.200 0.003 0.000 2.152 641 E HA -0.109 4.241 4.350 0.001 0.000 0.192 641 E C 1.214 177.807 176.600 -0.011 0.000 0.983 641 E CA 0.644 57.041 56.400 -0.005 0.000 0.818 641 E CB -0.476 29.223 29.700 -0.002 0.000 0.758 641 E HN 0.216 nan 8.360 nan 0.000 0.467 642 N N 0.783 119.482 118.700 -0.003 0.000 2.449 642 N HA -0.019 4.721 4.740 0.001 0.000 0.191 642 N C 0.260 175.763 175.510 -0.011 0.000 1.161 642 N CA 0.308 53.354 53.050 -0.007 0.000 0.863 642 N CB 0.267 38.759 38.487 0.008 0.000 0.980 642 N HN 0.050 nan 8.380 nan 0.000 0.458 643 K N 0.216 120.611 120.400 -0.009 0.000 2.123 643 K HA 0.229 4.549 4.320 0.001 0.000 0.259 643 K C 0.940 177.496 176.600 -0.073 0.000 0.960 643 K CA -0.366 55.919 56.287 -0.004 0.000 0.872 643 K CB 1.412 33.934 32.500 0.036 0.000 1.079 643 K HN -0.265 nan 8.250 nan 0.000 0.440 644 V N 2.761 122.612 119.914 -0.105 0.000 2.439 644 V HA -0.249 3.872 4.120 0.001 0.000 0.253 644 V C 2.265 178.235 176.094 -0.206 0.000 1.074 644 V CA 1.761 63.918 62.300 -0.238 0.000 1.076 644 V CB -0.568 31.136 31.823 -0.198 0.000 0.664 644 V HN 0.814 nan 8.190 nan 0.000 0.461 645 E N 0.426 120.570 120.200 -0.094 0.000 2.033 645 E HA -0.246 4.104 4.350 0.001 0.000 0.199 645 E C 2.287 178.844 176.600 -0.070 0.000 1.011 645 E CA 2.004 58.367 56.400 -0.061 0.000 0.815 645 E CB -0.364 29.325 29.700 -0.019 0.000 0.755 645 E HN 0.580 nan 8.360 nan 0.000 0.451 646 A N 0.150 122.933 122.820 -0.062 0.000 2.067 646 A HA 0.016 4.337 4.320 0.001 0.000 0.217 646 A C 2.278 179.825 177.584 -0.061 0.000 1.156 646 A CA 0.401 52.411 52.037 -0.046 0.000 0.683 646 A CB -0.310 18.675 19.000 -0.026 0.000 0.808 646 A HN 0.221 nan 8.150 nan 0.000 0.455 647 I N 0.229 120.721 120.570 -0.131 0.000 2.353 647 I HA -0.140 4.030 4.170 0.001 0.000 0.248 647 I C 2.189 178.204 176.117 -0.171 0.000 1.119 647 I CA 1.657 62.861 61.300 -0.160 0.000 1.417 647 I CB -0.267 37.556 38.000 -0.295 0.000 1.078 647 I HN 0.445 nan 8.210 nan 0.000 0.421 648 T N -2.201 112.195 114.554 -0.264 0.000 3.272 648 T HA 0.158 4.508 4.350 0.001 0.000 0.250 648 T C 1.366 176.067 174.700 0.001 0.000 1.082 648 T CA 0.086 62.101 62.100 -0.140 0.000 0.968 648 T CB 0.260 69.007 68.868 -0.202 0.000 1.015 648 T HN 0.064 nan 8.240 nan 0.000 0.563 649 M N 1.635 121.235 119.600 -0.001 0.000 2.940 649 M HA 0.264 4.744 4.480 0.001 0.000 0.248 649 M C 2.484 178.803 176.300 0.031 0.000 1.379 649 M CA 0.878 56.189 55.300 0.019 0.000 1.262 649 M CB -0.255 32.346 32.600 0.002 0.000 1.201 649 M HN 0.425 nan 8.290 nan 0.000 0.553 650 R N 0.225 120.749 120.500 0.041 0.000 2.236 650 R HA 0.178 4.518 4.340 0.001 0.000 0.208 650 R C 1.793 178.107 176.300 0.023 0.000 1.036 650 R CA 1.163 57.296 56.100 0.054 0.000 1.001 650 R CB -0.480 29.876 30.300 0.094 0.000 0.896 650 R HN 0.183 nan 8.270 nan 0.000 0.464 651 A N 1.969 124.821 122.820 0.053 0.000 1.840 651 A HA -0.135 4.186 4.320 0.001 0.000 0.214 651 A C 2.374 179.822 177.584 -0.226 0.000 1.198 651 A CA 1.779 53.740 52.037 -0.127 0.000 0.608 651 A CB -1.165 18.044 19.000 0.348 0.000 0.839 651 A HN 0.555 nan 8.150 nan 0.000 0.443 652 T N -1.193 113.452 114.554 0.152 0.000 2.803 652 T HA -0.235 4.115 4.350 0.001 0.000 0.269 652 T C 1.936 176.716 174.700 0.133 0.000 1.052 652 T CA 1.570 63.842 62.100 0.287 0.000 1.136 652 T CB -0.405 68.614 68.868 0.251 0.000 0.864 652 T HN 0.582 nan 8.240 nan 0.000 0.467 653 R N 1.675 122.180 120.500 0.008 0.000 2.075 653 R HA 0.115 4.456 4.340 0.001 0.000 0.232 653 R C 2.713 178.947 176.300 -0.109 0.000 1.126 653 R CA 1.276 57.364 56.100 -0.021 0.000 0.963 653 R CB -0.816 29.475 30.300 -0.015 0.000 0.858 653 R HN 0.419 nan 8.270 nan 0.000 0.435 654 A N 0.606 123.238 122.820 -0.313 0.000 1.908 654 A HA -0.133 4.187 4.320 0.001 0.000 0.218 654 A C 1.911 179.238 177.584 -0.427 0.000 1.181 654 A CA 1.331 53.082 52.037 -0.476 0.000 0.627 654 A CB -0.702 17.707 19.000 -0.986 0.000 0.818 654 A HN 0.411 nan 8.150 nan 0.000 0.445 655 F N 1.215 121.042 119.950 -0.205 0.000 2.186 655 F HA -0.126 4.401 4.527 0.001 0.000 0.299 655 F C 2.921 178.680 175.800 -0.068 0.000 1.090 655 F CA 1.348 59.260 58.000 -0.148 0.000 1.307 655 F CB -0.794 38.125 39.000 -0.134 0.000 1.019 655 F HN 0.340 nan 8.300 nan 0.000 0.489 656 S N -0.456 115.327 115.700 0.139 0.000 2.423 656 S HA -0.181 4.289 4.470 0.001 0.000 0.231 656 S C 1.748 176.380 174.600 0.053 0.000 1.014 656 S CA 0.972 59.236 58.200 0.106 0.000 0.965 656 S CB -0.503 62.765 63.200 0.113 0.000 0.785 656 S HN 0.508 nan 8.310 nan 0.000 0.495 657 Q N 1.065 120.876 119.800 0.017 0.000 2.036 657 Q HA 0.221 4.561 4.340 0.001 0.000 0.195 657 Q C 1.745 177.749 176.000 0.006 0.000 0.971 657 Q CA 1.245 57.052 55.803 0.005 0.000 0.826 657 Q CB -0.242 28.488 28.738 -0.013 0.000 0.896 657 Q HN 0.855 nan 8.270 nan 0.000 0.449 658 I N -1.345 119.222 120.570 -0.004 0.000 3.801 658 I HA 0.379 4.550 4.170 0.001 0.000 0.338 658 I C -0.603 175.523 176.117 0.015 0.000 1.513 658 I CA -0.351 60.950 61.300 0.002 0.000 1.197 658 I CB 0.132 38.128 38.000 -0.007 0.000 1.300 658 I HN -0.176 nan 8.210 nan 0.000 0.433 659 K N 0.962 121.375 120.400 0.023 0.000 2.499 659 K HA 0.331 4.652 4.320 0.001 0.000 0.277 659 K C -0.245 176.362 176.600 0.012 0.000 1.025 659 K CA -0.454 55.845 56.287 0.019 0.000 0.900 659 K CB 1.600 34.119 32.500 0.032 0.000 1.494 659 K HN 0.253 nan 8.250 nan 0.000 0.442 660 D N -0.723 119.678 120.400 0.001 0.000 2.469 660 D HA 0.237 4.877 4.640 0.001 0.000 0.215 660 D C 0.100 176.397 176.300 -0.005 0.000 1.154 660 D CA -0.136 53.864 54.000 0.001 0.000 0.832 660 D CB 0.861 41.660 40.800 -0.002 0.000 1.008 660 D HN 0.341 nan 8.370 nan 0.000 0.506 661 A N 0.563 123.372 122.820 -0.019 0.000 3.837 661 A HA 0.788 5.109 4.320 0.001 0.000 0.167 661 A C -0.795 176.753 177.584 -0.060 0.000 0.997 661 A CA -0.663 51.352 52.037 -0.037 0.000 0.865 661 A CB 1.037 20.002 19.000 -0.058 0.000 1.484 661 A HN 0.096 nan 8.150 nan 0.000 0.688 662 M N 1.004 120.520 119.600 -0.139 0.000 2.106 662 M HA 0.510 4.991 4.480 0.001 0.000 0.288 662 M C -1.710 174.249 176.300 -0.569 0.000 0.941 662 M CA -0.261 54.871 55.300 -0.279 0.000 0.934 662 M CB 1.919 34.391 32.600 -0.214 0.000 1.551 662 M HN 0.256 nan 8.290 nan 0.000 0.437 663 V N 3.846 123.398 119.914 -0.604 0.000 2.686 663 V HA 0.628 4.749 4.120 0.001 0.000 0.306 663 V C -0.899 174.892 176.094 -0.505 0.000 1.065 663 V CA -0.575 61.311 62.300 -0.691 0.000 0.894 663 V CB 1.835 33.262 31.823 -0.660 0.000 1.004 663 V HN 0.658 nan 8.190 nan 0.000 0.424 664 F N 1.581 121.523 119.950 -0.013 0.000 2.840 664 F HA 1.001 5.528 4.527 0.001 0.000 0.382 664 F C 0.488 176.390 175.800 0.170 0.000 1.304 664 F CA -1.062 57.019 58.000 0.136 0.000 1.120 664 F CB 0.908 40.029 39.000 0.201 0.000 1.607 664 F HN 0.648 nan 8.300 nan 0.000 0.482 665 A N 0.018 123.147 122.820 0.514 0.000 2.590 665 A HA 0.723 5.043 4.320 0.001 0.000 0.296 665 A C -2.168 175.626 177.584 0.350 0.000 1.050 665 A CA -0.666 51.561 52.037 0.317 0.000 0.697 665 A CB 0.884 20.128 19.000 0.406 0.000 1.277 665 A HN 0.933 nan 8.150 nan 0.000 0.411 666 F N 0.407 120.520 119.950 0.271 0.000 2.635 666 F HA 0.514 5.041 4.527 0.001 0.000 0.314 666 F C -0.187 175.692 175.800 0.131 0.000 1.119 666 F CA -1.181 56.904 58.000 0.141 0.000 1.000 666 F CB 0.845 39.906 39.000 0.101 0.000 1.278 666 F HN 0.636 nan 8.300 nan 0.000 0.446 667 N N 3.730 122.541 118.700 0.185 0.000 2.412 667 N HA 0.075 4.816 4.740 0.001 0.000 0.258 667 N C -0.617 175.013 175.510 0.200 0.000 1.236 667 N CA -0.281 52.838 53.050 0.116 0.000 0.882 667 N CB 1.252 39.771 38.487 0.053 0.000 1.066 667 N HN 0.828 nan 8.380 nan 0.000 0.465 668 L N 2.135 123.435 121.223 0.130 0.000 2.530 668 L HA 0.127 4.468 4.340 0.001 0.000 0.273 668 L C -1.754 175.163 176.870 0.079 0.000 1.141 668 L CA -1.655 53.260 54.840 0.126 0.000 0.905 668 L CB -0.305 41.765 42.059 0.017 0.000 1.202 668 L HN 0.320 nan 8.230 nan 0.000 0.473 669 P HA -0.072 nan 4.420 nan 0.000 0.250 669 P C 0.592 177.899 177.300 0.013 0.000 1.161 669 P CA 0.233 63.347 63.100 0.025 0.000 0.863 669 P CB 0.728 32.414 31.700 -0.024 0.000 0.827 670 A N 5.794 128.643 122.820 0.049 0.000 1.978 670 A HA -0.149 4.172 4.320 0.001 0.000 0.220 670 A C 1.409 178.902 177.584 -0.152 0.000 1.170 670 A CA 0.892 52.971 52.037 0.069 0.000 0.636 670 A CB -1.189 17.951 19.000 0.232 0.000 0.810 670 A HN 0.644 nan 8.150 nan 0.000 0.448 671 I N -2.134 118.382 120.570 -0.091 0.000 2.338 671 I HA 0.140 4.311 4.170 0.001 0.000 0.164 671 I C 0.453 176.474 176.117 -0.161 0.000 1.435 671 I CA -0.427 60.806 61.300 -0.112 0.000 0.584 671 I CB -0.588 37.442 38.000 0.050 0.000 1.895 671 I HN -0.018 nan 8.210 nan 0.000 1.146 672 V N 0.116 119.961 119.914 -0.115 0.000 2.975 672 V HA 0.137 4.258 4.120 0.001 0.000 0.318 672 V C 1.176 177.208 176.094 -0.103 0.000 1.077 672 V CA -0.241 61.993 62.300 -0.111 0.000 1.000 672 V CB 1.259 33.018 31.823 -0.106 0.000 1.066 672 V HN 0.844 nan 8.190 nan 0.000 0.452 673 E N 1.641 121.782 120.200 -0.099 0.000 2.136 673 E HA -0.223 4.127 4.350 0.001 0.000 0.208 673 E C 0.566 177.104 176.600 -0.103 0.000 1.035 673 E CA 2.009 58.343 56.400 -0.110 0.000 0.838 673 E CB -0.387 29.253 29.700 -0.101 0.000 0.748 673 E HN 0.586 nan 8.360 nan 0.000 0.459 674 L N -3.579 117.586 121.223 -0.096 0.000 2.416 674 L HA 0.706 5.047 4.340 0.001 0.000 0.262 674 L C 0.714 177.480 176.870 -0.173 0.000 1.093 674 L CA -0.302 54.476 54.840 -0.102 0.000 0.801 674 L CB 1.456 43.476 42.059 -0.065 0.000 1.191 674 L HN 0.126 nan 8.230 nan 0.000 0.459 675 G N 0.184 108.872 108.800 -0.186 0.000 2.689 675 G HA2 -0.162 3.799 3.960 0.001 0.000 0.273 675 G HA3 -0.162 3.799 3.960 0.001 0.000 0.273 675 G C 0.351 175.125 174.900 -0.210 0.000 1.062 675 G CA 0.210 45.136 45.100 -0.290 0.000 1.279 675 G HN 1.285 nan 8.290 nan 0.000 0.547 676 T N -1.681 112.799 114.554 -0.123 0.000 3.040 676 T HA 0.658 5.009 4.350 0.001 0.000 0.252 676 T C 1.363 176.043 174.700 -0.033 0.000 1.064 676 T CA 1.423 63.481 62.100 -0.070 0.000 1.110 676 T CB 0.342 69.162 68.868 -0.081 0.000 0.921 676 T HN 2.586 nan 8.240 nan 0.000 0.480 677 A N 1.630 124.424 122.820 -0.043 0.000 2.435 677 A HA 0.286 4.607 4.320 0.001 0.000 0.686 677 A C 0.771 178.338 177.584 -0.029 0.000 0.138 677 A CA 0.596 52.623 52.037 -0.016 0.000 0.024 677 A CB -2.393 16.626 19.000 0.032 0.000 3.974 677 A HN 2.233 nan 8.150 nan 0.000 0.548 678 T N -1.545 112.993 114.554 -0.027 0.000 3.720 678 T HA 0.330 4.680 4.350 0.001 0.000 0.381 678 T C 1.351 176.016 174.700 -0.058 0.000 0.763 678 T CA 2.050 64.131 62.100 -0.032 0.000 1.957 678 T CB -2.247 66.601 68.868 -0.033 0.000 1.767 678 T HN 3.105 nan 8.240 nan 0.000 0.743 679 G N 0.519 109.287 108.800 -0.054 0.000 2.655 679 G HA2 0.658 4.619 3.960 0.001 0.000 0.296 679 G HA3 0.658 4.619 3.960 0.001 0.000 0.296 679 G C -1.005 173.876 174.900 -0.031 0.000 1.485 679 G CA -0.535 44.489 45.100 -0.127 0.000 0.869 679 G HN 1.238 nan 8.290 nan 0.000 0.540 680 F N -0.402 119.545 119.950 -0.004 0.000 2.650 680 F HA 0.891 5.419 4.527 0.001 0.000 0.320 680 F C -1.347 174.544 175.800 0.150 0.000 1.091 680 F CA -1.946 56.090 58.000 0.060 0.000 0.962 680 F CB 2.409 41.460 39.000 0.085 0.000 1.363 680 F HN 0.367 nan 8.300 nan 0.000 0.482 681 D N 1.408 122.186 120.400 0.629 0.000 2.378 681 D HA 0.245 4.885 4.640 0.001 0.000 0.265 681 D C -1.460 175.159 176.300 0.531 0.000 1.229 681 D CA -0.204 54.065 54.000 0.449 0.000 0.914 681 D CB 0.336 41.249 40.800 0.187 0.000 1.140 681 D HN 0.457 nan 8.370 nan 0.000 0.516 682 F N 2.022 122.186 119.950 0.358 0.000 2.406 682 F HA 0.544 5.071 4.527 0.001 0.000 0.327 682 F C 0.181 175.799 175.800 -0.304 0.000 1.153 682 F CA -0.260 57.562 58.000 -0.296 0.000 1.218 682 F CB 1.127 39.858 39.000 -0.449 0.000 1.215 682 F HN 0.194 nan 8.300 nan 0.000 0.570 683 E N 2.495 121.891 120.200 -1.339 0.000 2.331 683 E HA 0.458 4.809 4.350 0.001 0.000 0.275 683 E C -2.166 173.770 176.600 -1.106 0.000 0.895 683 E CA -0.720 55.091 56.400 -0.981 0.000 0.753 683 E CB 1.580 30.687 29.700 -0.989 0.000 1.216 683 E HN 0.507 nan 8.360 nan 0.000 0.434 684 L N 5.729 126.622 121.223 -0.551 0.000 2.356 684 L HA 0.540 4.881 4.340 0.001 0.000 0.264 684 L C -1.438 175.329 176.870 -0.172 0.000 1.029 684 L CA -0.176 54.479 54.840 -0.308 0.000 0.897 684 L CB 0.202 42.206 42.059 -0.093 0.000 1.256 684 L HN 0.614 nan 8.230 nan 0.000 0.444 685 I N 2.283 122.751 120.570 -0.170 0.000 2.662 685 I HA 0.189 4.360 4.170 0.001 0.000 0.291 685 I C -0.063 176.030 176.117 -0.040 0.000 1.046 685 I CA -0.360 60.890 61.300 -0.083 0.000 1.361 685 I CB 1.242 39.197 38.000 -0.076 0.000 1.429 685 I HN 0.557 nan 8.210 nan 0.000 0.558 686 D N 3.850 124.242 120.400 -0.014 0.000 2.443 686 D HA 0.161 4.801 4.640 0.001 0.000 0.221 686 D C 0.413 176.708 176.300 -0.008 0.000 1.097 686 D CA -0.333 53.665 54.000 -0.003 0.000 0.865 686 D CB 1.323 42.131 40.800 0.014 0.000 1.034 686 D HN 0.351 nan 8.370 nan 0.000 0.511 687 Q N 2.992 122.782 119.800 -0.017 0.000 2.096 687 Q HA 0.239 4.579 4.340 0.001 0.000 0.197 687 Q C 0.755 176.747 176.000 -0.013 0.000 0.964 687 Q CA 0.882 56.672 55.803 -0.021 0.000 0.838 687 Q CB 0.033 28.751 28.738 -0.034 0.000 0.906 687 Q HN 0.650 nan 8.270 nan 0.000 0.444 688 A N -0.896 121.919 122.820 -0.008 0.000 2.260 688 A HA 0.504 4.825 4.320 0.001 0.000 0.278 688 A C 0.922 178.507 177.584 0.000 0.000 1.269 688 A CA 0.093 52.127 52.037 -0.005 0.000 0.824 688 A CB -0.419 18.579 19.000 -0.003 0.000 1.238 688 A HN 0.397 nan 8.150 nan 0.000 0.507 689 G N -0.366 108.435 108.800 0.002 0.000 3.639 689 G HA2 0.461 4.422 3.960 0.001 0.000 0.279 689 G HA3 0.461 4.422 3.960 0.001 0.000 0.279 689 G C 0.063 174.968 174.900 0.009 0.000 1.312 689 G CA -0.354 44.749 45.100 0.006 0.000 1.355 689 G HN 0.438 nan 8.290 nan 0.000 0.595 690 L N 0.398 121.627 121.223 0.010 0.000 2.436 690 L HA 0.510 4.851 4.340 0.001 0.000 0.265 690 L C 1.380 178.263 176.870 0.022 0.000 1.168 690 L CA -0.734 54.113 54.840 0.011 0.000 0.815 690 L CB 0.476 42.539 42.059 0.007 0.000 1.109 690 L HN 0.191 nan 8.230 nan 0.000 0.462 691 G N -1.322 107.491 108.800 0.021 0.000 2.616 691 G HA2 0.062 4.022 3.960 0.001 0.000 0.268 691 G HA3 0.062 4.022 3.960 0.001 0.000 0.268 691 G C 0.547 175.483 174.900 0.060 0.000 1.213 691 G CA -0.149 44.976 45.100 0.041 0.000 0.926 691 G HN 0.887 nan 8.290 nan 0.000 0.523 692 H N -0.922 118.155 119.070 0.012 0.000 2.423 692 H HA -0.037 4.520 4.556 0.001 0.000 0.297 692 H C 2.098 177.433 175.328 0.012 0.000 1.075 692 H CA 2.256 58.312 56.048 0.013 0.000 1.342 692 H CB 0.150 29.924 29.762 0.019 0.000 1.395 692 H HN 0.615 nan 8.280 nan 0.000 0.530 693 E N 0.419 120.427 120.200 -0.320 0.000 2.158 693 E HA -0.055 4.295 4.350 0.001 0.000 0.191 693 E C 1.987 178.476 176.600 -0.185 0.000 0.982 693 E CA 0.883 57.077 56.400 -0.343 0.000 0.823 693 E CB 0.137 29.735 29.700 -0.170 0.000 0.766 693 E HN 0.502 nan 8.360 nan 0.000 0.468 694 K N 0.612 120.952 120.400 -0.100 0.000 2.155 694 K HA -0.041 4.279 4.320 0.001 0.000 0.203 694 K C 2.229 178.802 176.600 -0.046 0.000 1.052 694 K CA 0.638 56.892 56.287 -0.056 0.000 0.948 694 K CB -0.062 32.423 32.500 -0.026 0.000 0.728 694 K HN 0.144 nan 8.250 nan 0.000 0.448 695 L N 1.232 122.430 121.223 -0.041 0.000 2.056 695 L HA -0.145 4.195 4.340 0.001 0.000 0.207 695 L C 2.079 178.937 176.870 -0.020 0.000 1.078 695 L CA 1.358 56.193 54.840 -0.008 0.000 0.749 695 L CB -0.344 41.738 42.059 0.038 0.000 0.901 695 L HN 0.117 nan 8.230 nan 0.000 0.433 696 T N -0.792 113.717 114.554 -0.076 0.000 2.759 696 T HA -0.264 4.086 4.350 0.001 0.000 0.269 696 T C 1.703 176.371 174.700 -0.054 0.000 1.042 696 T CA 1.650 63.706 62.100 -0.073 0.000 1.140 696 T CB -0.121 68.635 68.868 -0.188 0.000 0.864 696 T HN 0.315 nan 8.240 nan 0.000 0.455 697 Q N 1.263 121.025 119.800 -0.063 0.000 2.119 697 Q HA 0.136 4.477 4.340 0.001 0.000 0.201 697 Q C 2.230 178.218 176.000 -0.020 0.000 0.972 697 Q CA 1.643 57.421 55.803 -0.042 0.000 0.847 697 Q CB -0.648 28.064 28.738 -0.044 0.000 0.903 697 Q HN 0.492 nan 8.270 nan 0.000 0.433 698 A N 0.315 123.128 122.820 -0.012 0.000 2.015 698 A HA -0.119 4.202 4.320 0.001 0.000 0.219 698 A C 2.098 179.691 177.584 0.015 0.000 1.163 698 A CA 1.328 53.368 52.037 0.004 0.000 0.646 698 A CB -0.529 18.477 19.000 0.011 0.000 0.806 698 A HN 0.401 nan 8.150 nan 0.000 0.448 699 R N -0.207 120.302 120.500 0.014 0.000 2.115 699 R HA -0.075 4.266 4.340 0.001 0.000 0.226 699 R C 1.377 177.689 176.300 0.020 0.000 1.100 699 R CA 1.599 57.716 56.100 0.028 0.000 0.980 699 R CB -0.305 30.014 30.300 0.031 0.000 0.875 699 R HN 0.533 nan 8.270 nan 0.000 0.445 700 N N 0.192 118.895 118.700 0.005 0.000 2.396 700 N HA -0.130 4.611 4.740 0.001 0.000 0.180 700 N C 1.490 177.002 175.510 0.003 0.000 1.028 700 N CA 0.783 53.834 53.050 0.001 0.000 0.893 700 N CB 0.140 38.620 38.487 -0.012 0.000 0.967 700 N HN 0.329 nan 8.380 nan 0.000 0.440 701 Q N 0.046 119.849 119.800 0.004 0.000 2.250 701 Q HA 0.083 4.423 4.340 0.001 0.000 0.200 701 Q C 1.887 177.892 176.000 0.009 0.000 0.941 701 Q CA 0.341 56.147 55.803 0.006 0.000 0.872 701 Q CB 0.255 28.995 28.738 0.004 0.000 0.965 701 Q HN 0.409 nan 8.270 nan 0.000 0.480 702 L N 0.078 121.307 121.223 0.009 0.000 2.068 702 L HA -0.080 4.260 4.340 0.001 0.000 0.204 702 L C 1.975 178.839 176.870 -0.010 0.000 1.076 702 L CA 0.916 55.753 54.840 -0.005 0.000 0.753 702 L CB -0.114 41.949 42.059 0.007 0.000 0.910 702 L HN 0.250 nan 8.230 nan 0.000 0.439 703 L N 0.042 121.269 121.223 0.007 0.000 2.131 703 L HA -0.188 4.153 4.340 0.001 0.000 0.210 703 L C 2.772 179.647 176.870 0.008 0.000 1.092 703 L CA 1.042 55.887 54.840 0.010 0.000 0.759 703 L CB -0.832 41.239 42.059 0.020 0.000 0.903 703 L HN 0.395 nan 8.230 nan 0.000 0.435 704 A N -0.420 122.408 122.820 0.012 0.000 1.855 704 A HA -0.155 4.166 4.320 0.001 0.000 0.215 704 A C 2.247 179.852 177.584 0.036 0.000 1.191 704 A CA 1.225 53.273 52.037 0.018 0.000 0.613 704 A CB -0.315 18.694 19.000 0.015 0.000 0.829 704 A HN 0.300 nan 8.150 nan 0.000 0.442 705 E N 0.006 120.234 120.200 0.046 0.000 2.153 705 E HA -0.117 4.233 4.350 0.001 0.000 0.194 705 E C 2.298 178.964 176.600 0.110 0.000 0.988 705 E CA 1.125 57.594 56.400 0.115 0.000 0.811 705 E CB -0.459 29.308 29.700 0.112 0.000 0.746 705 E HN 0.566 nan 8.360 nan 0.000 0.466 706 A N 1.316 124.128 122.820 -0.014 0.000 1.898 706 A HA -0.043 4.278 4.320 0.001 0.000 0.216 706 A C 2.334 179.860 177.584 -0.097 0.000 1.181 706 A CA 1.834 53.800 52.037 -0.117 0.000 0.620 706 A CB -0.355 18.596 19.000 -0.083 0.000 0.819 706 A HN 0.251 nan 8.150 nan 0.000 0.442 707 A N -0.913 121.892 122.820 -0.024 0.000 2.123 707 A HA 0.031 4.351 4.320 0.001 0.000 0.214 707 A C 2.041 179.640 177.584 0.025 0.000 1.152 707 A CA 1.350 53.382 52.037 -0.008 0.000 0.728 707 A CB -0.282 18.718 19.000 0.001 0.000 0.814 707 A HN 0.436 nan 8.150 nan 0.000 0.464 708 K N 0.212 120.657 120.400 0.076 0.000 2.155 708 K HA -0.141 4.180 4.320 0.001 0.000 0.203 708 K C -0.068 176.646 176.600 0.190 0.000 1.052 708 K CA 1.337 57.698 56.287 0.123 0.000 0.948 708 K CB -0.067 32.518 32.500 0.141 0.000 0.728 708 K HN 0.790 nan 8.250 nan 0.000 0.448 709 H N -0.833 118.228 119.070 -0.014 0.000 2.596 709 H HA 0.402 4.958 4.556 0.001 0.000 0.240 709 H C -2.959 172.361 175.328 -0.014 0.000 1.406 709 H CA -2.316 53.724 56.048 -0.014 0.000 1.504 709 H CB 0.133 29.885 29.762 -0.015 0.000 1.688 709 H HN -0.043 nan 8.280 nan 0.000 0.546 713 L N 0.416 121.621 121.223 -0.030 0.000 2.591 713 L HA 0.715 5.055 4.340 0.001 0.000 0.197 713 L C 0.744 177.592 176.870 -0.037 0.000 1.537 713 L CA 0.660 55.476 54.840 -0.039 0.000 3.045 713 L CB 0.159 42.199 42.059 -0.033 0.000 2.859 713 L HN 0.435 nan 8.230 nan 0.000 0.957 714 T N -3.377 111.160 114.554 -0.029 0.000 2.913 714 T HA 0.261 4.612 4.350 0.001 0.000 0.313 714 T C -0.801 173.878 174.700 -0.036 0.000 1.817 714 T CA -0.613 61.479 62.100 -0.013 0.000 1.016 714 T CB -0.103 68.766 68.868 0.002 0.000 1.978 714 T HN 0.372 nan 8.240 nan 0.000 0.538 715 S N 0.575 116.244 115.700 -0.052 0.000 2.413 715 S HA 0.572 5.042 4.470 0.001 0.000 0.170 715 S C -0.470 174.078 174.600 -0.087 0.000 1.294 715 S CA -0.046 58.110 58.200 -0.073 0.000 1.201 715 S CB -0.166 62.977 63.200 -0.095 0.000 1.328 715 S HN 1.813 nan 8.310 nan 0.000 0.418 716 V N 2.148 122.039 119.914 -0.037 0.000 2.547 716 V HA 0.927 5.048 4.120 0.001 0.000 0.299 716 V C -0.413 175.678 176.094 -0.006 0.000 1.040 716 V CA -0.656 61.639 62.300 -0.008 0.000 0.913 716 V CB 1.715 33.575 31.823 0.062 0.000 0.992 716 V HN 0.681 nan 8.190 nan 0.000 0.449 717 R N 3.090 123.592 120.500 0.003 0.000 2.734 717 R HA 0.637 4.977 4.340 0.001 0.000 0.271 717 R C -3.060 173.261 176.300 0.034 0.000 1.021 717 R CA -1.805 54.303 56.100 0.014 0.000 0.893 717 R CB 2.356 32.655 30.300 -0.002 0.000 1.244 717 R HN 0.635 nan 8.270 nan 0.000 0.464 718 P HA 0.144 nan 4.420 nan 0.000 0.275 718 P C -0.047 177.281 177.300 0.046 0.000 1.266 718 P CA -0.159 62.970 63.100 0.048 0.000 0.793 718 P CB 0.980 32.710 31.700 0.049 0.000 1.074 719 N N -0.476 118.253 118.700 0.048 0.000 2.368 719 N HA 0.076 4.817 4.740 0.001 0.000 0.178 719 N C 0.650 176.196 175.510 0.060 0.000 1.021 719 N CA 1.375 54.453 53.050 0.047 0.000 0.875 719 N CB 0.063 38.574 38.487 0.040 0.000 1.020 719 N HN 0.656 nan 8.380 nan 0.000 0.433 720 G N -0.100 108.736 108.800 0.061 0.000 4.152 720 G HA2 0.210 4.171 3.960 0.001 0.000 0.232 720 G HA3 0.210 4.171 3.960 0.001 0.000 0.232 720 G C -1.457 173.481 174.900 0.063 0.000 3.663 720 G CA -0.469 44.672 45.100 0.067 0.000 0.661 720 G HN 0.089 nan 8.290 nan 0.000 0.251 721 L N 0.500 121.761 121.223 0.064 0.000 2.709 721 L HA 0.471 4.812 4.340 0.001 0.000 0.236 721 L C 1.359 178.274 176.870 0.075 0.000 1.266 721 L CA -0.357 54.524 54.840 0.069 0.000 0.987 721 L CB 0.874 42.980 42.059 0.078 0.000 1.306 721 L HN 0.258 nan 8.230 nan 0.000 0.467 722 E N 0.564 120.807 120.200 0.072 0.000 2.130 722 E HA -0.244 4.107 4.350 0.001 0.000 0.196 722 E C 0.030 176.677 176.600 0.078 0.000 0.998 722 E CA 1.291 57.734 56.400 0.070 0.000 0.806 722 E CB 0.083 29.826 29.700 0.072 0.000 0.738 722 E HN 0.689 nan 8.360 nan 0.000 0.459 723 D N 0.443 120.905 120.400 0.103 0.000 3.515 723 D HA -0.116 4.525 4.640 0.001 0.000 0.247 723 D C -0.809 175.605 176.300 0.189 0.000 1.084 723 D CA 1.025 55.106 54.000 0.136 0.000 1.030 723 D CB -0.937 39.919 40.800 0.093 0.000 0.946 723 D HN 0.239 nan 8.370 nan 0.000 0.420 724 T N 0.196 114.878 114.554 0.213 0.000 2.902 724 T HA 0.836 5.186 4.350 0.001 0.000 0.280 724 T C -2.308 172.587 174.700 0.324 0.000 0.992 724 T CA -1.334 60.924 62.100 0.264 0.000 1.015 724 T CB 2.140 71.114 68.868 0.177 0.000 1.044 724 T HN 0.117 nan 8.240 nan 0.000 0.520 725 P HA 0.342 nan 4.420 nan 0.000 0.276 725 P C -1.232 176.167 177.300 0.165 0.000 1.261 725 P CA -0.600 62.579 63.100 0.132 0.000 0.800 725 P CB 0.539 32.252 31.700 0.020 0.000 1.066 726 Q N -0.244 119.600 119.800 0.074 0.000 2.315 726 Q HA 0.380 4.720 4.340 0.001 0.000 0.273 726 Q C -1.341 174.486 176.000 -0.289 0.000 1.053 726 Q CA -0.601 55.162 55.803 -0.067 0.000 0.817 726 Q CB 1.999 30.712 28.738 -0.042 0.000 1.326 726 Q HN 0.328 nan 8.270 nan 0.000 0.423 727 F N 3.184 122.734 119.950 -0.667 0.000 2.509 727 F HA 0.226 4.753 4.527 0.001 0.000 0.350 727 F C 0.116 175.599 175.800 -0.529 0.000 1.220 727 F CA -0.443 57.001 58.000 -0.927 0.000 1.151 727 F CB 0.128 38.518 39.000 -1.016 0.000 1.379 727 F HN 0.300 nan 8.300 nan 0.000 0.610 728 K N 5.945 125.894 120.400 -0.752 0.000 2.270 728 K HA 0.417 4.737 4.320 0.001 0.000 0.276 728 K C -1.056 175.141 176.600 -0.672 0.000 1.023 728 K CA -0.008 55.959 56.287 -0.532 0.000 0.955 728 K CB 0.384 32.687 32.500 -0.327 0.000 0.975 728 K HN 0.637 nan 8.250 nan 0.000 0.471 729 I N 3.815 124.145 120.570 -0.401 0.000 2.420 729 I HA 0.189 4.360 4.170 0.001 0.000 0.282 729 I C -0.968 175.071 176.117 -0.130 0.000 1.019 729 I CA -0.914 60.226 61.300 -0.268 0.000 1.130 729 I CB 1.708 39.617 38.000 -0.151 0.000 1.262 729 I HN 0.604 nan 8.210 nan 0.000 0.454 730 D N 7.409 127.748 120.400 -0.101 0.000 2.347 730 D HA 0.354 4.994 4.640 0.001 0.000 0.235 730 D C -0.034 176.267 176.300 0.001 0.000 1.149 730 D CA -0.081 53.889 54.000 -0.051 0.000 0.850 730 D CB 1.186 41.957 40.800 -0.049 0.000 1.061 730 D HN 0.318 nan 8.370 nan 0.000 0.487 731 I N 2.079 122.644 120.570 -0.009 0.000 2.337 731 I HA 0.078 4.249 4.170 0.001 0.000 0.291 731 I C 0.365 176.470 176.117 -0.020 0.000 1.046 731 I CA -0.577 60.717 61.300 -0.010 0.000 1.324 731 I CB 0.784 38.716 38.000 -0.113 0.000 1.409 731 I HN 0.278 nan 8.210 nan 0.000 0.494 732 D N 6.491 126.906 120.400 0.025 0.000 2.363 732 D HA -0.014 4.626 4.640 0.001 0.000 0.263 732 D C 1.115 177.407 176.300 -0.013 0.000 1.258 732 D CA 0.170 54.181 54.000 0.017 0.000 0.907 732 D CB 0.989 41.819 40.800 0.050 0.000 1.107 732 D HN 0.367 nan 8.370 nan 0.000 0.495 733 Q N 2.872 122.652 119.800 -0.033 0.000 2.224 733 Q HA -0.140 4.201 4.340 0.001 0.000 0.203 733 Q C 1.301 177.284 176.000 -0.028 0.000 0.970 733 Q CA 1.092 56.865 55.803 -0.051 0.000 0.865 733 Q CB 0.166 28.876 28.738 -0.046 0.000 0.922 733 Q HN 0.690 nan 8.270 nan 0.000 0.445 734 E N 0.669 120.865 120.200 -0.006 0.000 2.028 734 E HA -0.125 4.226 4.350 0.001 0.000 0.191 734 E C 2.020 178.632 176.600 0.020 0.000 0.988 734 E CA 0.773 57.176 56.400 0.005 0.000 0.799 734 E CB -0.012 29.694 29.700 0.011 0.000 0.755 734 E HN 0.185 nan 8.360 nan 0.000 0.447 735 K N 0.723 121.148 120.400 0.041 0.000 2.063 735 K HA -0.140 4.181 4.320 0.001 0.000 0.208 735 K C 2.322 178.977 176.600 0.092 0.000 1.048 735 K CA 1.040 57.373 56.287 0.077 0.000 0.928 735 K CB -0.269 32.304 32.500 0.122 0.000 0.713 735 K HN 0.089 nan 8.250 nan 0.000 0.442 736 A N 2.210 125.061 122.820 0.052 0.000 1.884 736 A HA -0.278 4.042 4.320 0.001 0.000 0.219 736 A C 2.121 179.710 177.584 0.008 0.000 1.197 736 A CA 1.876 53.907 52.037 -0.009 0.000 0.637 736 A CB -0.672 18.225 19.000 -0.171 0.000 0.827 736 A HN 0.441 nan 8.150 nan 0.000 0.450 737 Q N -0.668 119.129 119.800 -0.005 0.000 2.167 737 Q HA 0.023 4.364 4.340 0.001 0.000 0.202 737 Q C 2.283 178.293 176.000 0.017 0.000 0.970 737 Q CA 1.115 56.917 55.803 -0.001 0.000 0.855 737 Q CB -0.418 28.315 28.738 -0.007 0.000 0.911 737 Q HN 0.659 nan 8.270 nan 0.000 0.438 738 A N 1.842 124.679 122.820 0.027 0.000 1.898 738 A HA -0.088 4.233 4.320 0.001 0.000 0.216 738 A C 2.109 179.716 177.584 0.038 0.000 1.181 738 A CA 0.974 53.029 52.037 0.030 0.000 0.620 738 A CB -0.515 18.504 19.000 0.032 0.000 0.819 738 A HN 0.310 nan 8.150 nan 0.000 0.442 739 L N -1.576 119.682 121.223 0.058 0.000 2.492 739 L HA 0.236 4.577 4.340 0.001 0.000 0.223 739 L C 1.378 178.283 176.870 0.059 0.000 1.132 739 L CA 0.522 55.401 54.840 0.065 0.000 0.850 739 L CB -0.763 41.356 42.059 0.100 0.000 0.966 739 L HN 0.565 nan 8.230 nan 0.000 0.454 740 G N 1.547 110.376 108.800 0.049 0.000 2.356 740 G HA2 -0.146 3.815 3.960 0.001 0.000 0.233 740 G HA3 -0.146 3.815 3.960 0.001 0.000 0.233 740 G C -0.165 174.758 174.900 0.039 0.000 1.105 740 G CA -0.036 45.086 45.100 0.036 0.000 0.861 740 G HN 0.226 nan 8.290 nan 0.000 0.493 741 V N -2.550 117.383 119.914 0.032 0.000 2.680 741 V HA 0.910 5.030 4.120 0.001 0.000 0.309 741 V C 0.581 176.652 176.094 -0.038 0.000 1.052 741 V CA -0.468 61.840 62.300 0.014 0.000 0.908 741 V CB 1.732 33.580 31.823 0.041 0.000 1.001 741 V HN 0.803 nan 8.190 nan 0.000 0.431 742 S N 1.676 117.354 115.700 -0.037 0.000 2.580 742 S HA 0.509 4.979 4.470 0.001 0.000 0.274 742 S C 0.877 175.419 174.600 -0.097 0.000 1.329 742 S CA -0.441 57.728 58.200 -0.051 0.000 1.036 742 S CB 0.692 63.876 63.200 -0.026 0.000 0.919 742 S HN 0.651 nan 8.310 nan 0.000 0.515 743 I N 3.875 124.385 120.570 -0.100 0.000 2.617 743 I HA -0.038 4.133 4.170 0.001 0.000 0.256 743 I C 2.050 178.112 176.117 -0.092 0.000 1.167 743 I CA 0.484 61.706 61.300 -0.131 0.000 1.469 743 I CB -0.343 37.590 38.000 -0.112 0.000 1.098 743 I HN 0.527 nan 8.210 nan 0.000 0.436 744 N N 1.068 119.734 118.700 -0.055 0.000 2.043 744 N HA -0.190 4.550 4.740 0.001 0.000 0.193 744 N C 1.485 176.981 175.510 -0.024 0.000 1.037 744 N CA 1.607 54.639 53.050 -0.030 0.000 0.851 744 N CB -0.438 38.040 38.487 -0.015 0.000 1.027 744 N HN 0.344 nan 8.380 nan 0.000 0.422 745 D N 0.887 121.273 120.400 -0.024 0.000 2.117 745 D HA -0.077 4.563 4.640 0.001 0.000 0.197 745 D C 2.135 178.429 176.300 -0.009 0.000 0.987 745 D CA 0.585 54.583 54.000 -0.003 0.000 0.829 745 D CB -0.232 40.573 40.800 0.010 0.000 0.961 745 D HN 0.296 nan 8.370 nan 0.000 0.460 746 I N 1.330 121.852 120.570 -0.079 0.000 2.286 746 I HA -0.248 3.922 4.170 0.001 0.000 0.248 746 I C 2.073 178.172 176.117 -0.031 0.000 1.115 746 I CA 0.764 61.984 61.300 -0.134 0.000 1.392 746 I CB -0.164 37.597 38.000 -0.399 0.000 1.065 746 I HN -0.042 nan 8.210 nan 0.000 0.418 747 N N -0.110 118.568 118.700 -0.036 0.000 2.135 747 N HA -0.154 4.587 4.740 0.001 0.000 0.186 747 N C 1.940 177.464 175.510 0.022 0.000 1.027 747 N CA 1.854 54.902 53.050 -0.004 0.000 0.849 747 N CB -0.560 37.915 38.487 -0.019 0.000 1.002 747 N HN 0.241 nan 8.380 nan 0.000 0.425 748 T N 0.496 115.063 114.554 0.021 0.000 3.118 748 T HA -0.014 4.336 4.350 0.001 0.000 0.260 748 T C 1.657 176.372 174.700 0.025 0.000 1.139 748 T CA 1.454 63.570 62.100 0.027 0.000 1.085 748 T CB -0.222 68.663 68.868 0.028 0.000 0.934 748 T HN 0.433 nan 8.240 nan 0.000 0.518 749 T N -0.224 114.358 114.554 0.046 0.000 2.894 749 T HA 0.079 4.429 4.350 0.001 0.000 0.258 749 T C 1.781 176.461 174.700 -0.033 0.000 1.043 749 T CA 0.676 62.797 62.100 0.035 0.000 1.141 749 T CB -0.497 68.462 68.868 0.152 0.000 0.873 749 T HN 0.287 nan 8.240 nan 0.000 0.449 750 L N 1.840 123.110 121.223 0.079 0.000 2.156 750 L HA 0.395 4.735 4.340 0.001 0.000 0.208 750 L C 2.465 179.365 176.870 0.049 0.000 1.095 750 L CA 1.644 56.524 54.840 0.067 0.000 0.770 750 L CB -0.871 41.260 42.059 0.120 0.000 0.914 750 L HN 0.386 nan 8.230 nan 0.000 0.439 751 G N -1.400 107.412 108.800 0.020 0.000 2.426 751 G HA2 -0.059 3.902 3.960 0.001 0.000 0.214 751 G HA3 -0.059 3.902 3.960 0.001 0.000 0.214 751 G C 1.517 176.431 174.900 0.024 0.000 1.156 751 G CA 0.472 45.581 45.100 0.016 0.000 0.802 751 G HN 0.516 nan 8.290 nan 0.000 0.534 752 A N 0.812 123.631 122.820 -0.001 0.000 2.016 752 A HA 0.503 4.824 4.320 0.001 0.000 0.217 752 A C 2.625 180.165 177.584 -0.072 0.000 1.162 752 A CA 1.789 53.820 52.037 -0.010 0.000 0.662 752 A CB -0.380 18.613 19.000 -0.011 0.000 0.812 752 A HN 0.553 nan 8.150 nan 0.000 0.450 753 A N -1.092 121.605 122.820 -0.206 0.000 1.855 753 A HA 0.039 4.359 4.320 0.001 0.000 0.213 753 A C 1.897 179.306 177.584 -0.292 0.000 1.195 753 A CA 1.254 52.997 52.037 -0.490 0.000 0.610 753 A CB -0.712 17.466 19.000 -1.370 0.000 0.837 753 A HN 0.669 nan 8.150 nan 0.000 0.444 754 W N -0.837 120.331 121.300 -0.220 0.000 2.525 754 W HA 0.267 4.927 4.660 0.001 0.000 0.288 754 W C 2.329 178.820 176.519 -0.047 0.000 1.200 754 W CA 0.827 58.111 57.345 -0.102 0.000 1.349 754 W CB -0.408 28.971 29.460 -0.135 0.000 1.102 754 W HN 0.345 nan 8.180 nan 0.000 0.558 755 G N -0.737 108.161 108.800 0.164 0.000 3.020 755 G HA2 0.430 4.391 3.960 0.001 0.000 0.217 755 G HA3 0.430 4.391 3.960 0.001 0.000 0.217 755 G C 0.735 175.679 174.900 0.074 0.000 1.144 755 G CA 0.314 45.469 45.100 0.091 0.000 0.760 755 G HN 0.436 nan 8.290 nan 0.000 0.548 756 G N -0.826 108.021 108.800 0.078 0.000 2.828 756 G HA2 0.262 4.223 3.960 0.001 0.000 0.463 756 G HA3 0.262 4.223 3.960 0.001 0.000 0.463 756 G C -0.238 174.754 174.900 0.152 0.000 1.394 756 G CA 0.248 45.409 45.100 0.101 0.000 0.862 756 G HN 1.614 nan 8.290 nan 0.000 0.540 757 S N -1.455 114.395 115.700 0.251 0.000 2.563 757 S HA 0.508 4.979 4.470 0.001 0.000 0.279 757 S C -0.918 173.826 174.600 0.240 0.000 1.155 757 S CA -0.061 58.289 58.200 0.249 0.000 0.928 757 S CB 1.198 64.473 63.200 0.126 0.000 1.107 757 S HN 1.793 nan 8.310 nan 0.000 0.462 758 Y N 5.689 126.025 120.300 0.060 0.000 2.674 758 Y HA 0.354 4.904 4.550 0.001 0.000 0.354 758 Y C 0.960 176.761 175.900 -0.165 0.000 1.089 758 Y CA 0.445 58.375 58.100 -0.283 0.000 1.444 758 Y CB 0.237 38.596 38.460 -0.168 0.000 1.187 758 Y HN 0.556 nan 8.280 nan 0.000 0.523 759 V N 4.584 124.276 119.914 -0.371 0.000 2.326 759 V HA 0.021 4.141 4.120 0.001 0.000 0.238 759 V C 0.448 176.404 176.094 -0.230 0.000 1.038 759 V CA 0.976 63.158 62.300 -0.197 0.000 1.032 759 V CB -0.467 31.261 31.823 -0.158 0.000 0.675 759 V HN 0.713 nan 8.190 nan 0.000 0.467 760 N N -1.883 116.576 118.700 -0.402 0.000 3.243 760 N HA 0.331 5.072 4.740 0.001 0.000 0.280 760 N C -1.977 173.341 175.510 -0.319 0.000 1.545 760 N CA -0.621 52.281 53.050 -0.247 0.000 0.854 760 N CB 1.863 40.307 38.487 -0.071 0.000 1.612 760 N HN 0.111 nan 8.380 nan 0.000 0.577 761 D N -0.172 120.184 120.400 -0.072 0.000 2.299 761 D HA 0.508 5.149 4.640 0.001 0.000 0.243 761 D C -0.972 175.462 176.300 0.224 0.000 0.982 761 D CA -0.037 53.990 54.000 0.046 0.000 0.924 761 D CB 1.613 42.452 40.800 0.063 0.000 1.238 761 D HN 0.430 nan 8.370 nan 0.000 0.484 762 F N -0.977 118.978 119.950 0.009 0.000 2.685 762 F HA 0.630 5.158 4.527 0.001 0.000 0.315 762 F C -1.710 174.122 175.800 0.053 0.000 1.126 762 F CA -1.148 56.900 58.000 0.080 0.000 0.950 762 F CB 0.816 39.946 39.000 0.218 0.000 1.360 762 F HN 0.038 nan 8.300 nan 0.000 0.469 763 I N 1.730 122.105 120.570 -0.325 0.000 2.392 763 I HA 0.371 4.541 4.170 0.001 0.000 0.295 763 I C -1.156 174.621 176.117 -0.566 0.000 0.985 763 I CA -0.083 60.971 61.300 -0.411 0.000 1.221 763 I CB 1.467 39.391 38.000 -0.126 0.000 1.366 763 I HN 0.678 nan 8.210 nan 0.000 0.467 764 D N 5.448 125.560 120.400 -0.481 0.000 2.323 764 D HA 0.388 5.029 4.640 0.001 0.000 0.242 764 D C -0.617 175.623 176.300 -0.099 0.000 1.347 764 D CA -0.427 53.414 54.000 -0.264 0.000 0.988 764 D CB 0.367 40.973 40.800 -0.323 0.000 1.314 764 D HN 0.450 nan 8.370 nan 0.000 0.564 765 R N 2.815 123.293 120.500 -0.035 0.000 3.333 765 R HA -0.188 4.152 4.340 0.001 0.000 0.256 765 R C 1.028 177.319 176.300 -0.015 0.000 1.010 765 R CA 0.754 56.853 56.100 -0.003 0.000 0.680 765 R CB -1.820 28.499 30.300 0.032 0.000 1.102 765 R HN 0.901 nan 8.270 nan 0.000 0.440 766 G N -0.245 108.532 108.800 -0.039 0.000 3.586 766 G HA2 -0.373 3.588 3.960 0.001 0.000 0.212 766 G HA3 -0.373 3.588 3.960 0.001 0.000 0.212 766 G C 0.150 175.013 174.900 -0.061 0.000 1.411 766 G CA 0.183 45.260 45.100 -0.038 0.000 0.898 766 G HN 0.366 nan 8.290 nan 0.000 0.575 767 R N 0.895 121.358 120.500 -0.061 0.000 2.401 767 R HA 0.452 4.792 4.340 0.001 0.000 0.299 767 R C 0.324 176.545 176.300 -0.133 0.000 1.064 767 R CA 0.138 56.197 56.100 -0.069 0.000 1.000 767 R CB 1.737 32.014 30.300 -0.038 0.000 0.973 767 R HN 0.405 nan 8.270 nan 0.000 0.438 768 V N 4.955 124.801 119.914 -0.114 0.000 2.521 768 V HA 0.077 4.197 4.120 0.001 0.000 0.286 768 V C -0.110 175.916 176.094 -0.112 0.000 1.034 768 V CA 0.595 62.807 62.300 -0.147 0.000 1.045 768 V CB 0.273 32.054 31.823 -0.069 0.000 0.974 768 V HN 0.712 nan 8.190 nan 0.000 0.480 769 K N 5.110 125.403 120.400 -0.179 0.000 2.208 769 K HA 0.622 4.942 4.320 0.001 0.000 0.240 769 K C -0.960 175.722 176.600 0.136 0.000 1.088 769 K CA -1.147 55.142 56.287 0.003 0.000 0.902 769 K CB 1.570 34.100 32.500 0.050 0.000 1.355 769 K HN 0.530 nan 8.250 nan 0.000 0.526 770 K N 0.616 121.135 120.400 0.199 0.000 2.168 770 K HA 0.528 4.848 4.320 0.001 0.000 0.239 770 K C -0.775 175.778 176.600 -0.079 0.000 0.999 770 K CA -0.878 55.411 56.287 0.003 0.000 0.900 770 K CB 1.460 33.962 32.500 0.004 0.000 1.111 770 K HN 0.132 nan 8.250 nan 0.000 0.452 771 V N 2.006 121.635 119.914 -0.475 0.000 2.483 771 V HA 0.329 4.449 4.120 0.001 0.000 0.297 771 V C -1.450 174.265 176.094 -0.631 0.000 1.027 771 V CA -0.875 61.118 62.300 -0.513 0.000 0.855 771 V CB 0.652 32.230 31.823 -0.409 0.000 0.995 771 V HN 0.587 nan 8.190 nan 0.000 0.424 772 Y N 2.612 122.714 120.300 -0.330 0.000 2.524 772 Y HA 0.773 5.323 4.550 0.001 0.000 0.344 772 Y C -0.145 175.579 175.900 -0.293 0.000 1.012 772 Y CA -0.952 56.999 58.100 -0.248 0.000 1.068 772 Y CB 2.346 40.699 38.460 -0.179 0.000 1.249 772 Y HN 0.411 nan 8.280 nan 0.000 0.468 773 V N 4.952 124.860 119.914 -0.009 0.000 2.569 773 V HA 0.469 4.590 4.120 0.001 0.000 0.301 773 V C -0.874 175.207 176.094 -0.022 0.000 1.044 773 V CA -0.235 62.014 62.300 -0.085 0.000 0.874 773 V CB 1.577 33.362 31.823 -0.063 0.000 1.002 773 V HN 1.053 nan 8.190 nan 0.000 0.424 774 M N 4.868 124.445 119.600 -0.038 0.000 2.412 774 M HA 0.607 5.087 4.480 0.001 0.000 0.183 774 M C -0.369 176.016 176.300 0.141 0.000 1.990 774 M CA 0.869 56.207 55.300 0.064 0.000 1.138 774 M CB 1.547 34.234 32.600 0.145 0.000 1.421 774 M HN 1.003 nan 8.290 nan 0.000 0.609 775 S N 0.142 116.042 115.700 0.333 0.000 2.843 775 S HA 0.094 4.564 4.470 0.001 0.000 0.275 775 S C -1.536 173.308 174.600 0.406 0.000 0.814 775 S CA -1.070 57.348 58.200 0.363 0.000 0.912 775 S CB -0.341 63.069 63.200 0.351 0.000 1.150 775 S HN 0.504 nan 8.310 nan 0.000 0.502 776 E N 1.081 121.450 120.200 0.281 0.000 2.437 776 E HA 0.329 4.680 4.350 0.001 0.000 0.263 776 E C 1.621 178.198 176.600 -0.039 0.000 1.030 776 E CA 0.166 56.590 56.400 0.041 0.000 0.934 776 E CB 0.411 30.183 29.700 0.119 0.000 0.943 776 E HN 0.846 nan 8.360 nan 0.000 0.444 777 A N 4.118 126.793 122.820 -0.242 0.000 1.908 777 A HA -0.261 4.059 4.320 0.001 0.000 0.218 777 A C 1.904 179.372 177.584 -0.193 0.000 1.181 777 A CA 1.981 53.885 52.037 -0.221 0.000 0.627 777 A CB -0.520 18.311 19.000 -0.282 0.000 0.818 777 A HN 0.722 nan 8.150 nan 0.000 0.445 778 K N -1.688 118.568 120.400 -0.240 0.000 2.442 778 K HA -0.133 4.187 4.320 0.001 0.000 0.198 778 K C 0.286 176.569 176.600 -0.527 0.000 1.044 778 K CA 1.410 57.472 56.287 -0.376 0.000 0.948 778 K CB -0.426 31.794 32.500 -0.467 0.000 0.762 778 K HN 0.578 nan 8.250 nan 0.000 0.472 779 Y N 1.582 121.747 120.300 -0.225 0.000 2.708 779 Y HA 0.254 4.804 4.550 0.001 0.000 0.287 779 Y C 0.104 175.779 175.900 -0.375 0.000 1.145 779 Y CA -0.763 57.159 58.100 -0.296 0.000 1.249 779 Y CB 0.504 38.728 38.460 -0.392 0.000 1.152 779 Y HN 0.149 nan 8.280 nan 0.000 0.532 780 R N -2.467 117.840 120.500 -0.322 0.000 2.452 780 R HA 0.213 4.553 4.340 0.001 0.000 0.361 780 R C -0.290 175.920 176.300 -0.150 0.000 0.918 780 R CA -0.012 55.659 56.100 -0.716 0.000 1.080 780 R CB -0.733 29.005 30.300 -0.937 0.000 1.471 780 R HN 0.043 nan 8.270 nan 0.000 0.633 781 M N 0.342 119.914 119.600 -0.047 0.000 2.556 781 M HA 0.349 4.830 4.480 0.001 0.000 0.264 781 M C 0.461 176.805 176.300 0.072 0.000 1.163 781 M CA 0.851 56.157 55.300 0.009 0.000 1.186 781 M CB -0.332 32.231 32.600 -0.062 0.000 1.321 781 M HN 0.265 nan 8.290 nan 0.000 0.485 782 L N -1.216 120.050 121.223 0.072 0.000 2.230 782 L HA 0.427 4.768 4.340 0.001 0.000 0.255 782 L C -1.710 175.155 176.870 -0.009 0.000 1.039 782 L CA -1.589 53.266 54.840 0.024 0.000 0.846 782 L CB 0.338 42.402 42.059 0.008 0.000 1.419 782 L HN -0.180 nan 8.230 nan 0.000 0.435 783 P HA -0.015 nan 4.420 nan 0.000 0.241 783 P C 0.124 177.389 177.300 -0.059 0.000 1.191 783 P CA 0.798 63.640 63.100 -0.430 0.000 0.771 783 P CB 0.301 31.536 31.700 -0.776 0.000 0.929 784 D N 0.341 120.756 120.400 0.024 0.000 2.317 784 D HA -0.065 4.576 4.640 0.001 0.000 0.211 784 D C 0.680 177.031 176.300 0.084 0.000 0.966 784 D CA 0.713 54.752 54.000 0.065 0.000 0.876 784 D CB -0.034 40.792 40.800 0.044 0.000 0.927 784 D HN 0.191 nan 8.370 nan 0.000 0.519 785 D N 0.622 121.098 120.400 0.126 0.000 2.349 785 D HA 0.019 4.660 4.640 0.001 0.000 0.224 785 D C 2.153 178.633 176.300 0.300 0.000 1.029 785 D CA -0.024 54.057 54.000 0.135 0.000 0.879 785 D CB 0.307 41.153 40.800 0.077 0.000 0.906 785 D HN 0.311 nan 8.370 nan 0.000 0.528 786 I N 0.564 121.352 120.570 0.362 0.000 2.315 786 I HA -0.110 4.061 4.170 0.001 0.000 0.248 786 I C 2.387 178.625 176.117 0.202 0.000 1.117 786 I CA 1.020 62.518 61.300 0.330 0.000 1.404 786 I CB -0.737 37.293 38.000 0.050 0.000 1.071 786 I HN 0.010 nan 8.210 nan 0.000 0.419 787 G N 0.632 109.517 108.800 0.141 0.000 2.471 787 G HA2 -0.199 3.762 3.960 0.001 0.000 0.219 787 G HA3 -0.199 3.762 3.960 0.001 0.000 0.219 787 G C 1.231 176.035 174.900 -0.159 0.000 1.125 787 G CA 0.390 45.542 45.100 0.088 0.000 0.775 787 G HN 0.327 nan 8.290 nan 0.000 0.548 788 D N 0.154 120.414 120.400 -0.234 0.000 2.178 788 D HA -0.060 4.580 4.640 0.001 0.000 0.201 788 D C 0.344 176.117 176.300 -0.879 0.000 0.980 788 D CA 0.461 54.140 54.000 -0.535 0.000 0.842 788 D CB -0.077 40.443 40.800 -0.467 0.000 0.948 788 D HN 0.442 nan 8.370 nan 0.000 0.472 789 W N 0.942 122.031 121.300 -0.353 0.000 2.419 789 W HA 0.204 4.864 4.660 0.001 0.000 0.312 789 W C -0.328 176.113 176.519 -0.130 0.000 1.323 789 W CA -0.647 56.601 57.345 -0.161 0.000 1.293 789 W CB -0.064 29.455 29.460 0.099 0.000 1.324 789 W HN -0.157 nan 8.180 nan 0.000 0.512 790 Y N 2.130 122.662 120.300 0.387 0.000 2.377 790 Y HA 0.576 5.126 4.550 0.001 0.000 0.339 790 Y C 0.182 176.248 175.900 0.276 0.000 1.011 790 Y CA -1.622 56.644 58.100 0.277 0.000 1.093 790 Y CB 0.857 39.408 38.460 0.152 0.000 1.201 790 Y HN 0.013 nan 8.280 nan 0.000 0.455 791 V N 2.962 123.109 119.914 0.389 0.000 2.667 791 V HA 0.496 4.617 4.120 0.001 0.000 0.308 791 V C -0.033 176.187 176.094 0.210 0.000 1.048 791 V CA -1.318 61.154 62.300 0.286 0.000 0.928 791 V CB 1.727 33.710 31.823 0.267 0.000 1.004 791 V HN 0.665 nan 8.190 nan 0.000 0.444 792 R N 2.425 123.021 120.500 0.160 0.000 2.590 792 R HA 0.550 4.890 4.340 0.001 0.000 0.274 792 R C -0.290 176.069 176.300 0.097 0.000 1.061 792 R CA 0.593 56.762 56.100 0.115 0.000 1.081 792 R CB 0.614 30.970 30.300 0.094 0.000 0.984 792 R HN 0.969 nan 8.270 nan 0.000 0.448 793 A N 3.477 126.344 122.820 0.078 0.000 2.356 793 A HA 0.597 4.918 4.320 0.001 0.000 0.310 793 A C 0.898 178.508 177.584 0.045 0.000 1.075 793 A CA -0.246 51.830 52.037 0.065 0.000 0.746 793 A CB 1.371 20.413 19.000 0.070 0.000 1.221 793 A HN 1.006 nan 8.150 nan 0.000 0.443 794 A N 2.319 125.160 122.820 0.036 0.000 1.836 794 A HA -0.328 3.993 4.320 0.001 0.000 0.269 794 A C 1.125 178.723 177.584 0.023 0.000 2.597 794 A CA 2.850 54.903 52.037 0.026 0.000 0.810 794 A CB -1.320 17.693 19.000 0.021 0.000 0.833 794 A HN 1.286 nan 8.150 nan 0.000 0.542 795 D N -0.860 119.554 120.400 0.024 0.000 3.008 795 D HA 0.402 5.043 4.640 0.001 0.000 0.242 795 D C 0.874 177.185 176.300 0.019 0.000 1.222 795 D CA 0.386 54.397 54.000 0.019 0.000 0.883 795 D CB -1.433 39.377 40.800 0.016 0.000 1.110 795 D HN 1.148 nan 8.370 nan 0.000 0.455 796 G N 1.428 110.242 108.800 0.023 0.000 2.385 796 G HA2 -0.234 3.727 3.960 0.001 0.000 0.284 796 G HA3 -0.234 3.727 3.960 0.001 0.000 0.284 796 G C -0.196 174.717 174.900 0.022 0.000 0.899 796 G CA 0.943 46.058 45.100 0.024 0.000 1.204 796 G HN 0.803 nan 8.290 nan 0.000 0.486 797 Q N -1.911 117.906 119.800 0.028 0.000 2.522 797 Q HA 0.754 5.095 4.340 0.001 0.000 0.285 797 Q C -0.498 175.524 176.000 0.036 0.000 0.982 797 Q CA -1.403 54.412 55.803 0.020 0.000 0.805 797 Q CB 0.808 29.548 28.738 0.004 0.000 1.457 797 Q HN 0.078 nan 8.270 nan 0.000 0.394 798 M N 0.935 120.547 119.600 0.020 0.000 2.202 798 M HA 0.554 5.034 4.480 0.001 0.000 0.316 798 M C -0.958 175.365 176.300 0.039 0.000 1.138 798 M CA -0.219 55.110 55.300 0.049 0.000 1.151 798 M CB 1.697 34.300 32.600 0.006 0.000 1.422 798 M HN 0.553 nan 8.290 nan 0.000 0.471 799 V N 2.560 122.544 119.914 0.116 0.000 2.711 799 V HA 0.461 4.581 4.120 0.001 0.000 0.304 799 V C -2.431 173.770 176.094 0.178 0.000 1.097 799 V CA -1.445 60.909 62.300 0.090 0.000 0.906 799 V CB 2.042 33.927 31.823 0.103 0.000 1.015 799 V HN 0.722 nan 8.190 nan 0.000 0.427 800 P HA 0.200 nan 4.420 nan 0.000 0.271 800 P C 0.601 177.818 177.300 -0.138 0.000 1.218 800 P CA -0.062 63.198 63.100 0.267 0.000 0.780 800 P CB 1.042 32.868 31.700 0.210 0.000 0.901 801 F N 2.004 121.885 119.950 -0.114 0.000 2.102 801 F HA -0.231 4.296 4.527 0.001 0.000 0.298 801 F C 2.648 178.247 175.800 -0.335 0.000 1.105 801 F CA 2.637 60.510 58.000 -0.211 0.000 1.239 801 F CB -0.607 38.476 39.000 0.140 0.000 0.991 801 F HN 0.328 nan 8.300 nan 0.000 0.474 802 S N 0.239 115.987 115.700 0.080 0.000 2.420 802 S HA -0.255 4.215 4.470 0.001 0.000 0.237 802 S C 2.216 176.769 174.600 -0.078 0.000 1.023 802 S CA 0.822 59.053 58.200 0.051 0.000 0.991 802 S CB -1.167 62.086 63.200 0.088 0.000 0.792 802 S HN 0.389 nan 8.310 nan 0.000 0.488 803 A N 2.521 125.194 122.820 -0.245 0.000 1.849 803 A HA -0.046 4.275 4.320 0.001 0.000 0.217 803 A C 2.072 179.567 177.584 -0.149 0.000 1.202 803 A CA 1.798 53.698 52.037 -0.229 0.000 0.629 803 A CB -1.247 17.568 19.000 -0.309 0.000 0.834 803 A HN 0.921 nan 8.150 nan 0.000 0.447 804 F N -1.611 118.341 119.950 0.003 0.000 2.754 804 F HA 0.400 4.928 4.527 0.001 0.000 0.297 804 F C 1.157 176.953 175.800 -0.007 0.000 1.122 804 F CA 0.160 58.145 58.000 -0.025 0.000 1.400 804 F CB -0.331 38.623 39.000 -0.076 0.000 1.117 804 F HN 0.125 nan 8.300 nan 0.000 0.587 805 S N 0.490 116.364 115.700 0.289 0.000 2.652 805 S HA 0.545 5.016 4.470 0.001 0.000 0.270 805 S C -0.257 174.440 174.600 0.162 0.000 1.243 805 S CA -0.406 57.980 58.200 0.311 0.000 0.999 805 S CB 1.329 64.793 63.200 0.440 0.000 0.973 805 S HN 0.269 nan 8.310 nan 0.000 0.544 806 S N 1.184 116.949 115.700 0.109 0.000 2.548 806 S HA 0.624 5.095 4.470 0.001 0.000 0.276 806 S C -1.244 173.327 174.600 -0.048 0.000 1.129 806 S CA -0.678 57.544 58.200 0.037 0.000 0.931 806 S CB 1.138 64.347 63.200 0.013 0.000 1.068 806 S HN 0.925 nan 8.310 nan 0.000 0.480 807 S N 4.222 119.892 115.700 -0.050 0.000 2.478 807 S HA 0.888 5.359 4.470 0.001 0.000 0.312 807 S C -0.810 173.697 174.600 -0.156 0.000 1.094 807 S CA -0.998 57.084 58.200 -0.197 0.000 1.081 807 S CB 1.003 64.254 63.200 0.086 0.000 1.007 807 S HN 0.950 nan 8.310 nan 0.000 0.475 808 R N 0.980 121.271 120.500 -0.349 0.000 2.633 808 R HA 0.382 4.722 4.340 0.001 0.000 0.255 808 R C -2.010 174.182 176.300 -0.181 0.000 1.106 808 R CA -0.846 55.192 56.100 -0.103 0.000 0.959 808 R CB 0.174 30.441 30.300 -0.055 0.000 1.259 808 R HN 0.559 nan 8.270 nan 0.000 0.453 809 W N 1.736 122.955 121.300 -0.135 0.000 2.215 809 W HA 0.447 5.108 4.660 0.001 0.000 0.342 809 W C 0.551 176.979 176.519 -0.151 0.000 1.237 809 W CA 0.072 57.342 57.345 -0.125 0.000 1.283 809 W CB 0.764 30.176 29.460 -0.080 0.000 1.131 809 W HN 0.548 nan 8.180 nan 0.000 0.606 810 E N -0.361 119.863 120.200 0.040 0.000 2.446 810 E HA 0.329 4.680 4.350 0.001 0.000 0.269 810 E C -1.868 174.684 176.600 -0.079 0.000 0.977 810 E CA -1.173 55.219 56.400 -0.013 0.000 0.854 810 E CB 2.063 31.754 29.700 -0.015 0.000 1.545 810 E HN 0.198 nan 8.360 nan 0.000 0.448 811 Y N 0.033 120.389 120.300 0.094 0.000 2.488 811 Y HA 0.485 5.035 4.550 0.001 0.000 0.330 811 Y C -0.052 175.905 175.900 0.096 0.000 1.013 811 Y CA -0.510 57.649 58.100 0.098 0.000 1.304 811 Y CB 1.851 40.359 38.460 0.080 0.000 1.098 811 Y HN 0.551 nan 8.280 nan 0.000 0.498 812 G N 0.945 109.905 108.800 0.267 0.000 2.524 812 G HA2 0.469 4.430 3.960 0.001 0.000 0.310 812 G HA3 0.469 4.430 3.960 0.001 0.000 0.310 812 G C -0.766 174.250 174.900 0.194 0.000 1.279 812 G CA -0.945 44.282 45.100 0.212 0.000 0.974 812 G HN 0.470 nan 8.290 nan 0.000 0.484 813 S N 1.636 117.440 115.700 0.174 0.000 2.580 813 S HA 0.448 4.918 4.470 0.001 0.000 0.274 813 S C -1.445 173.179 174.600 0.041 0.000 1.329 813 S CA -0.973 57.294 58.200 0.111 0.000 1.036 813 S CB 1.906 65.142 63.200 0.060 0.000 0.919 813 S HN 0.339 nan 8.310 nan 0.000 0.515 814 P HA 0.199 nan 4.420 nan 0.000 0.257 814 P C -0.137 177.176 177.300 0.021 0.000 1.281 814 P CA 0.208 63.332 63.100 0.039 0.000 0.826 814 P CB -0.175 31.560 31.700 0.059 0.000 1.237 815 R N 0.404 120.905 120.500 0.001 0.000 2.523 815 R HA 0.401 4.741 4.340 0.001 0.000 0.278 815 R C -1.794 174.478 176.300 -0.047 0.000 1.150 815 R CA -0.532 55.565 56.100 -0.005 0.000 0.987 815 R CB 0.641 30.956 30.300 0.025 0.000 1.232 815 R HN -0.130 nan 8.270 nan 0.000 0.424 816 L N 4.273 125.461 121.223 -0.060 0.000 2.313 816 L HA 0.417 4.758 4.340 0.001 0.000 0.273 816 L C -0.132 176.717 176.870 -0.034 0.000 1.028 816 L CA -0.681 54.100 54.840 -0.098 0.000 0.871 816 L CB 1.519 43.502 42.059 -0.126 0.000 1.242 816 L HN 0.642 nan 8.230 nan 0.000 0.434 817 E N 3.075 123.267 120.200 -0.012 0.000 2.398 817 E HA 0.260 4.611 4.350 0.001 0.000 0.263 817 E C -0.328 176.287 176.600 0.026 0.000 1.046 817 E CA 0.029 56.442 56.400 0.022 0.000 0.908 817 E CB 0.781 30.502 29.700 0.036 0.000 0.963 817 E HN 0.383 nan 8.360 nan 0.000 0.431 818 R N 2.838 123.364 120.500 0.044 0.000 2.721 818 R HA 0.108 4.448 4.340 0.001 0.000 0.272 818 R C -1.443 174.892 176.300 0.058 0.000 1.721 818 R CA -0.552 55.573 56.100 0.041 0.000 1.325 818 R CB 0.647 30.955 30.300 0.013 0.000 1.271 818 R HN 0.530 nan 8.270 nan 0.000 0.556 819 Y N 3.938 124.211 120.300 -0.046 0.000 2.486 819 Y HA 0.057 4.607 4.550 0.001 0.000 0.348 819 Y C 0.370 176.239 175.900 -0.051 0.000 1.000 819 Y CA 0.173 58.237 58.100 -0.060 0.000 1.253 819 Y CB 0.335 38.729 38.460 -0.111 0.000 1.140 819 Y HN 0.608 nan 8.280 nan 0.000 0.526 820 N N 4.590 123.088 118.700 -0.336 0.000 2.814 820 N HA -0.175 4.566 4.740 0.001 0.000 0.247 820 N C 0.712 176.163 175.510 -0.098 0.000 1.089 820 N CA 1.141 54.040 53.050 -0.251 0.000 0.682 820 N CB -1.223 37.117 38.487 -0.245 0.000 0.970 820 N HN 1.243 nan 8.380 nan 0.000 0.554 821 G N -1.422 107.333 108.800 -0.075 0.000 2.179 821 G HA2 -0.304 3.657 3.960 0.001 0.000 0.260 821 G HA3 -0.304 3.657 3.960 0.001 0.000 0.260 821 G C 0.000 174.888 174.900 -0.020 0.000 0.977 821 G CA 0.824 45.899 45.100 -0.042 0.000 0.641 821 G HN 0.464 nan 8.290 nan 0.000 0.533 822 L N 0.321 121.540 121.223 -0.006 0.000 2.371 822 L HA 0.598 4.938 4.340 0.001 0.000 0.262 822 L C -2.329 174.555 176.870 0.023 0.000 1.006 822 L CA -2.809 52.035 54.840 0.007 0.000 0.818 822 L CB 2.297 44.360 42.059 0.006 0.000 1.354 822 L HN -0.180 nan 8.230 nan 0.000 0.415 823 P HA 0.082 nan 4.420 nan 0.000 0.271 823 P C -0.719 176.601 177.300 0.033 0.000 1.233 823 P CA 0.293 63.411 63.100 0.030 0.000 0.764 823 P CB 1.466 33.190 31.700 0.040 0.000 0.825 824 S N 3.028 118.749 115.700 0.035 0.000 2.704 824 S HA 0.805 5.276 4.470 0.001 0.000 0.296 824 S C -0.923 173.681 174.600 0.007 0.000 1.138 824 S CA -0.754 57.452 58.200 0.009 0.000 0.875 824 S CB 0.913 64.119 63.200 0.010 0.000 1.151 824 S HN 0.333 nan 8.310 nan 0.000 0.500 825 M N 2.227 121.810 119.600 -0.028 0.000 2.224 825 M HA 0.338 4.819 4.480 0.001 0.000 0.281 825 M C -0.918 175.353 176.300 -0.048 0.000 1.025 825 M CA -0.373 54.922 55.300 -0.007 0.000 0.954 825 M CB 2.080 34.700 32.600 0.033 0.000 1.639 825 M HN 0.669 nan 8.290 nan 0.000 0.461 826 E N 3.948 124.129 120.200 -0.032 0.000 2.354 826 E HA 0.428 4.779 4.350 0.001 0.000 0.269 826 E C -1.200 175.409 176.600 0.016 0.000 1.036 826 E CA -0.223 56.148 56.400 -0.048 0.000 0.876 826 E CB 0.983 30.668 29.700 -0.025 0.000 1.009 826 E HN 0.641 nan 8.360 nan 0.000 0.416 827 I N 6.289 126.894 120.570 0.059 0.000 2.623 827 I HA 0.154 4.325 4.170 0.001 0.000 0.275 827 I C -0.722 175.518 176.117 0.206 0.000 1.108 827 I CA -0.531 60.862 61.300 0.155 0.000 1.120 827 I CB 0.745 38.910 38.000 0.274 0.000 1.249 827 I HN 0.435 nan 8.210 nan 0.000 0.500 828 L N 5.483 126.758 121.223 0.086 0.000 2.385 828 L HA 0.461 4.802 4.340 0.001 0.000 0.285 828 L C 0.806 177.597 176.870 -0.131 0.000 1.125 828 L CA -0.073 54.764 54.840 -0.005 0.000 0.890 828 L CB 0.456 42.490 42.059 -0.042 0.000 1.251 828 L HN 0.584 nan 8.230 nan 0.000 0.445 829 G N 2.537 111.117 108.800 -0.367 0.000 2.498 829 G HA2 0.644 4.604 3.960 0.001 0.000 0.312 829 G HA3 0.644 4.604 3.960 0.001 0.000 0.312 829 G C -1.142 172.935 174.900 -1.372 0.000 1.230 829 G CA -0.414 44.293 45.100 -0.655 0.000 0.968 829 G HN 0.438 nan 8.290 nan 0.000 0.481 830 Q N -0.558 118.803 119.800 -0.731 0.000 2.241 830 Q HA 0.643 4.984 4.340 0.001 0.000 0.262 830 Q C 0.333 176.183 176.000 -0.250 0.000 1.014 830 Q CA -0.684 54.806 55.803 -0.522 0.000 0.885 830 Q CB 2.197 30.771 28.738 -0.273 0.000 1.311 830 Q HN 0.782 nan 8.270 nan 0.000 0.461 831 A N 0.852 123.619 122.820 -0.089 0.000 2.386 831 A HA 0.543 4.863 4.320 0.001 0.000 0.246 831 A C -0.085 177.495 177.584 -0.007 0.000 1.089 831 A CA 0.107 52.169 52.037 0.042 0.000 0.790 831 A CB -0.085 18.933 19.000 0.031 0.000 1.042 831 A HN 0.777 nan 8.150 nan 0.000 0.497 832 A N 1.745 124.568 122.820 0.005 0.000 2.507 832 A HA 0.420 4.741 4.320 0.001 0.000 0.235 832 A C -0.894 176.675 177.584 -0.026 0.000 1.070 832 A CA -0.278 51.750 52.037 -0.016 0.000 0.768 832 A CB -0.375 18.615 19.000 -0.016 0.000 1.011 832 A HN 0.669 nan 8.150 nan 0.000 0.502 833 P HA -0.068 nan 4.420 nan 0.000 0.223 833 P C 1.303 178.587 177.300 -0.027 0.000 1.151 833 P CA 1.791 64.872 63.100 -0.031 0.000 0.787 833 P CB 0.070 31.753 31.700 -0.030 0.000 0.788 834 G N 0.050 108.836 108.800 -0.024 0.000 2.497 834 G HA2 -0.002 3.959 3.960 0.001 0.000 0.210 834 G HA3 -0.002 3.959 3.960 0.001 0.000 0.210 834 G C 0.819 175.706 174.900 -0.023 0.000 1.177 834 G CA 0.095 45.182 45.100 -0.022 0.000 0.822 834 G HN 0.245 nan 8.290 nan 0.000 0.550 835 K N -0.058 120.330 120.400 -0.021 0.000 2.273 835 K HA 0.535 4.856 4.320 0.001 0.000 0.240 835 K C -0.545 176.042 176.600 -0.022 0.000 1.056 835 K CA -0.131 56.144 56.287 -0.021 0.000 0.910 835 K CB 0.806 33.295 32.500 -0.019 0.000 1.196 835 K HN 0.153 nan 8.250 nan 0.000 0.509 836 S N -1.106 114.581 115.700 -0.022 0.000 2.549 836 S HA 0.184 4.654 4.470 0.001 0.000 0.280 836 S C 0.579 175.165 174.600 -0.023 0.000 1.109 836 S CA -0.541 57.646 58.200 -0.022 0.000 0.905 836 S CB 1.398 64.581 63.200 -0.028 0.000 1.081 836 S HN 0.694 nan 8.310 nan 0.000 0.477 837 T N 3.707 118.251 114.554 -0.017 0.000 2.142 837 T HA -0.321 4.029 4.350 0.001 0.000 0.179 837 T C 1.758 176.408 174.700 -0.084 0.000 1.682 837 T CA 2.676 64.760 62.100 -0.027 0.000 0.955 837 T CB -1.480 67.359 68.868 -0.049 0.000 0.784 837 T HN 1.038 nan 8.240 nan 0.000 0.441 838 G N 1.009 109.749 108.800 -0.100 0.000 2.450 838 G HA2 -0.213 3.748 3.960 0.001 0.000 0.220 838 G HA3 -0.213 3.748 3.960 0.001 0.000 0.220 838 G C 1.411 176.245 174.900 -0.109 0.000 1.130 838 G CA 1.258 46.281 45.100 -0.129 0.000 0.760 838 G HN 0.715 nan 8.290 nan 0.000 0.557 839 E N 0.686 120.842 120.200 -0.073 0.000 2.028 839 E HA -0.060 4.291 4.350 0.001 0.000 0.191 839 E C 2.978 179.536 176.600 -0.070 0.000 0.988 839 E CA 0.867 57.232 56.400 -0.058 0.000 0.799 839 E CB -0.260 29.418 29.700 -0.038 0.000 0.755 839 E HN 0.399 nan 8.360 nan 0.000 0.447 840 A N 1.229 124.016 122.820 -0.055 0.000 1.933 840 A HA -0.171 4.150 4.320 0.001 0.000 0.218 840 A C 2.188 179.680 177.584 -0.153 0.000 1.175 840 A CA 1.430 53.444 52.037 -0.039 0.000 0.628 840 A CB -0.462 18.595 19.000 0.095 0.000 0.814 840 A HN 0.130 nan 8.150 nan 0.000 0.444 841 M N -1.167 118.282 119.600 -0.253 0.000 2.175 841 M HA -0.104 4.377 4.480 0.001 0.000 0.264 841 M C 2.186 178.367 176.300 -0.198 0.000 1.063 841 M CA 1.504 56.546 55.300 -0.431 0.000 1.119 841 M CB -0.224 31.888 32.600 -0.812 0.000 1.377 841 M HN 0.486 nan 8.290 nan 0.000 0.415 842 E N 1.086 121.192 120.200 -0.157 0.000 2.150 842 E HA -0.111 4.240 4.350 0.001 0.000 0.193 842 E C 0.664 177.216 176.600 -0.080 0.000 0.985 842 E CA 0.872 57.223 56.400 -0.083 0.000 0.814 842 E CB 0.058 29.719 29.700 -0.065 0.000 0.752 842 E HN 0.466 nan 8.360 nan 0.000 0.466 843 L N 1.184 122.345 121.223 -0.103 0.000 2.865 843 L HA 0.177 4.518 4.340 0.001 0.000 0.233 843 L C 1.110 177.881 176.870 -0.166 0.000 1.320 843 L CA -0.127 54.651 54.840 -0.103 0.000 1.225 843 L CB 0.355 42.365 42.059 -0.082 0.000 1.542 843 L HN 0.075 nan 8.230 nan 0.000 0.432 844 M N -1.816 117.655 119.600 -0.214 0.000 1.630 844 M HA 0.015 4.495 4.480 0.001 0.000 0.257 844 M C 1.418 177.425 176.300 -0.487 0.000 0.943 844 M CA 0.576 55.646 55.300 -0.383 0.000 0.983 844 M CB 0.499 32.800 32.600 -0.499 0.000 1.922 844 M HN 0.254 nan 8.290 nan 0.000 0.709 845 E N 1.131 121.134 120.200 -0.330 0.000 2.150 845 E HA -0.214 4.136 4.350 0.001 0.000 0.193 845 E C 1.490 177.972 176.600 -0.196 0.000 0.985 845 E CA 1.681 57.842 56.400 -0.397 0.000 0.814 845 E CB 0.035 29.664 29.700 -0.118 0.000 0.752 845 E HN 0.544 nan 8.360 nan 0.000 0.466 846 Q N 0.382 120.113 119.800 -0.116 0.000 2.369 846 Q HA -0.046 4.295 4.340 0.001 0.000 0.206 846 Q C 1.731 177.698 176.000 -0.055 0.000 0.963 846 Q CA 1.008 56.782 55.803 -0.048 0.000 0.894 846 Q CB -0.240 28.484 28.738 -0.023 0.000 0.965 846 Q HN 0.266 nan 8.270 nan 0.000 0.475 847 L N -0.440 120.711 121.223 -0.119 0.000 2.298 847 L HA 0.259 4.599 4.340 0.001 0.000 0.209 847 L C 2.091 178.902 176.870 -0.098 0.000 1.084 847 L CA 0.662 55.445 54.840 -0.095 0.000 0.816 847 L CB -0.199 41.781 42.059 -0.133 0.000 0.967 847 L HN 0.369 nan 8.230 nan 0.000 0.460 848 A N -0.583 122.139 122.820 -0.163 0.000 2.119 848 A HA -0.102 4.218 4.320 0.001 0.000 0.216 848 A C 2.258 179.881 177.584 0.066 0.000 1.152 848 A CA 1.189 53.196 52.037 -0.050 0.000 0.708 848 A CB -0.328 18.634 19.000 -0.063 0.000 0.805 848 A HN 0.452 nan 8.150 nan 0.000 0.460 849 S N -0.912 114.819 115.700 0.053 0.000 2.603 849 S HA 0.104 4.575 4.470 0.001 0.000 0.220 849 S C 1.141 175.771 174.600 0.050 0.000 0.967 849 S CA 0.636 58.892 58.200 0.093 0.000 0.920 849 S CB -0.125 63.136 63.200 0.102 0.000 0.773 849 S HN 0.521 nan 8.310 nan 0.000 0.529 850 K N 0.505 120.921 120.400 0.027 0.000 2.372 850 K HA 0.402 4.722 4.320 0.001 0.000 0.200 850 K C -0.063 176.548 176.600 0.017 0.000 1.022 850 K CA -0.166 56.131 56.287 0.017 0.000 1.125 850 K CB 0.221 32.725 32.500 0.007 0.000 0.855 850 K HN 0.386 nan 8.250 nan 0.000 0.524 851 L N 1.236 122.476 121.223 0.028 0.000 2.469 851 L HA 0.316 4.657 4.340 0.001 0.000 0.253 851 L C -1.864 175.020 176.870 0.024 0.000 1.143 851 L CA -2.231 52.625 54.840 0.026 0.000 0.804 851 L CB -0.165 41.917 42.059 0.039 0.000 1.214 851 L HN -0.099 nan 8.230 nan 0.000 0.476 852 P HA 0.090 nan 4.420 nan 0.000 0.272 852 P C -0.645 176.664 177.300 0.015 0.000 1.254 852 P CA -0.392 62.716 63.100 0.012 0.000 0.795 852 P CB 0.210 31.914 31.700 0.006 0.000 1.022 853 T N -0.015 114.545 114.554 0.009 0.000 2.918 853 T HA 0.392 4.743 4.350 0.001 0.000 0.302 853 T C 1.087 175.791 174.700 0.005 0.000 1.045 853 T CA 1.057 63.162 62.100 0.008 0.000 1.114 853 T CB -0.133 68.737 68.868 0.004 0.000 0.965 853 T HN 0.829 nan 8.240 nan 0.000 0.540 854 G N 1.087 109.888 108.800 0.002 0.000 2.160 854 G HA2 -0.172 3.789 3.960 0.001 0.000 0.244 854 G HA3 -0.172 3.789 3.960 0.001 0.000 0.244 854 G C -0.016 174.884 174.900 0.000 0.000 1.022 854 G CA -0.100 44.999 45.100 -0.001 0.000 0.741 854 G HN 0.811 nan 8.290 nan 0.000 0.508 855 V N 0.453 120.371 119.914 0.006 0.000 2.454 855 V HA 0.692 4.812 4.120 0.001 0.000 0.267 855 V C 0.978 177.088 176.094 0.026 0.000 0.993 855 V CA -0.161 62.148 62.300 0.014 0.000 0.836 855 V CB 0.837 32.676 31.823 0.026 0.000 1.055 855 V HN 0.737 nan 8.190 nan 0.000 0.452 856 G N 2.643 111.436 108.800 -0.012 0.000 2.531 856 G HA2 0.719 4.679 3.960 0.001 0.000 0.281 856 G HA3 0.719 4.679 3.960 0.001 0.000 0.281 856 G C -0.917 173.968 174.900 -0.024 0.000 1.382 856 G CA -0.323 44.745 45.100 -0.053 0.000 1.045 856 G HN 0.789 nan 8.290 nan 0.000 0.533 857 Y N -2.899 117.296 120.300 -0.173 0.000 2.705 857 Y HA 0.738 5.288 4.550 0.001 0.000 0.332 857 Y C -1.744 173.913 175.900 -0.405 0.000 1.221 857 Y CA -1.638 56.226 58.100 -0.395 0.000 1.059 857 Y CB 1.926 40.164 38.460 -0.369 0.000 1.298 857 Y HN 0.554 nan 8.280 nan 0.000 0.459 858 D N -0.143 120.007 120.400 -0.417 0.000 2.787 858 D HA 0.251 4.891 4.640 0.001 0.000 0.215 858 D C -1.810 174.175 176.300 -0.526 0.000 1.246 858 D CA -0.609 53.195 54.000 -0.327 0.000 0.798 858 D CB 1.421 42.100 40.800 -0.201 0.000 1.649 858 D HN 0.634 nan 8.370 nan 0.000 0.507 870 G N 1.782 110.705 108.800 0.205 0.000 2.535 870 G HA2 0.180 4.140 3.960 0.001 0.000 0.662 870 G HA3 0.180 4.140 3.960 0.001 0.000 0.662 870 G C -0.306 174.678 174.900 0.140 0.000 1.417 870 G CA -0.010 45.195 45.100 0.176 0.000 0.866 870 G HN 0.504 nan 8.290 nan 0.000 0.647 871 N N 0.330 119.086 118.700 0.093 0.000 2.309 871 N HA -0.123 4.617 4.740 0.001 0.000 0.182 871 N C 2.209 177.774 175.510 0.091 0.000 1.018 871 N CA 2.049 55.145 53.050 0.076 0.000 0.876 871 N CB -0.040 38.472 38.487 0.042 0.000 0.972 871 N HN 0.828 nan 8.380 nan 0.000 0.434 872 Q N 0.332 120.196 119.800 0.107 0.000 2.103 872 Q HA -0.320 4.020 4.340 0.001 0.000 0.213 872 Q C 1.874 177.956 176.000 0.136 0.000 1.008 872 Q CA 2.696 58.573 55.803 0.124 0.000 0.879 872 Q CB -0.657 28.184 28.738 0.173 0.000 0.946 872 Q HN 0.395 nan 8.270 nan 0.000 0.413 873 A N 0.899 123.827 122.820 0.181 0.000 1.873 873 A HA -0.141 4.180 4.320 0.001 0.000 0.218 873 A C -0.141 177.584 177.584 0.235 0.000 1.193 873 A CA 1.653 53.816 52.037 0.211 0.000 0.629 873 A CB -1.884 17.287 19.000 0.286 0.000 0.826 873 A HN 0.541 nan 8.150 nan 0.000 0.447 874 P HA -0.211 nan 4.420 nan 0.000 0.222 874 P C 1.583 178.954 177.300 0.118 0.000 1.155 874 P CA 2.351 65.531 63.100 0.133 0.000 0.890 874 P CB -0.188 31.565 31.700 0.089 0.000 0.790 875 S N -1.798 113.958 115.700 0.094 0.000 2.439 875 S HA 0.065 4.535 4.470 0.001 0.000 0.224 875 S C 1.878 176.517 174.600 0.064 0.000 1.029 875 S CA 0.421 58.660 58.200 0.066 0.000 0.946 875 S CB -0.766 62.458 63.200 0.040 0.000 0.797 875 S HN 0.089 nan 8.310 nan 0.000 0.504 876 L N 0.138 121.391 121.223 0.050 0.000 1.970 876 L HA -0.177 4.164 4.340 0.001 0.000 0.212 876 L C 2.166 178.969 176.870 -0.111 0.000 1.071 876 L CA 1.741 56.551 54.840 -0.050 0.000 0.751 876 L CB -0.742 41.200 42.059 -0.194 0.000 0.889 876 L HN 0.322 nan 8.230 nan 0.000 0.432 877 Y N -0.426 119.861 120.300 -0.022 0.000 2.421 877 Y HA -0.143 4.408 4.550 0.001 0.000 0.292 877 Y C 2.546 178.434 175.900 -0.020 0.000 1.136 877 Y CA 0.688 58.765 58.100 -0.039 0.000 1.255 877 Y CB -0.543 37.882 38.460 -0.058 0.000 0.991 877 Y HN 0.162 nan 8.280 nan 0.000 0.552 878 A N 0.327 123.223 122.820 0.127 0.000 1.940 878 A HA -0.180 4.141 4.320 0.001 0.000 0.219 878 A C 2.020 179.634 177.584 0.050 0.000 1.176 878 A CA 1.898 53.977 52.037 0.069 0.000 0.631 878 A CB -0.939 18.092 19.000 0.051 0.000 0.814 878 A HN 0.491 nan 8.150 nan 0.000 0.446 879 I N -0.326 120.278 120.570 0.057 0.000 2.617 879 I HA -0.112 4.058 4.170 0.001 0.000 0.256 879 I C 2.308 178.459 176.117 0.057 0.000 1.167 879 I CA 1.045 62.387 61.300 0.070 0.000 1.469 879 I CB -0.110 37.970 38.000 0.134 0.000 1.098 879 I HN 0.111 nan 8.210 nan 0.000 0.436 880 S N 0.873 116.595 115.700 0.036 0.000 2.423 880 S HA 0.011 4.481 4.470 0.001 0.000 0.231 880 S C 1.901 176.528 174.600 0.045 0.000 1.014 880 S CA 1.000 59.219 58.200 0.033 0.000 0.965 880 S CB -0.249 62.966 63.200 0.026 0.000 0.785 880 S HN 0.403 nan 8.310 nan 0.000 0.495 881 L N 0.341 121.590 121.223 0.042 0.000 2.395 881 L HA 0.098 4.438 4.340 0.001 0.000 0.218 881 L C 1.739 178.610 176.870 0.001 0.000 1.130 881 L CA 0.759 55.608 54.840 0.015 0.000 0.826 881 L CB -0.501 41.556 42.059 -0.002 0.000 0.941 881 L HN 0.331 nan 8.230 nan 0.000 0.451 882 I N -1.383 119.198 120.570 0.017 0.000 2.685 882 I HA -0.084 4.086 4.170 0.001 0.000 0.251 882 I C 2.273 178.425 176.117 0.059 0.000 1.102 882 I CA 0.339 61.651 61.300 0.020 0.000 1.442 882 I CB -0.140 37.872 38.000 0.020 0.000 1.194 882 I HN -0.134 nan 8.210 nan 0.000 0.448 883 V N 0.746 120.695 119.914 0.058 0.000 2.626 883 V HA -0.177 3.944 4.120 0.001 0.000 0.252 883 V C 2.441 178.564 176.094 0.048 0.000 1.067 883 V CA 1.175 63.511 62.300 0.061 0.000 1.081 883 V CB -0.454 31.406 31.823 0.062 0.000 0.686 883 V HN 0.233 nan 8.190 nan 0.000 0.468 884 V N -0.578 119.360 119.914 0.040 0.000 2.261 884 V HA -0.266 3.854 4.120 0.001 0.000 0.246 884 V C 2.156 178.242 176.094 -0.012 0.000 1.047 884 V CA 2.498 64.803 62.300 0.009 0.000 1.015 884 V CB -0.650 31.174 31.823 0.002 0.000 0.642 884 V HN 0.549 nan 8.190 nan 0.000 0.446 885 F N -0.448 119.409 119.950 -0.155 0.000 2.216 885 F HA -0.150 4.377 4.527 0.001 0.000 0.300 885 F C 2.068 177.763 175.800 -0.175 0.000 1.085 885 F CA 1.392 59.242 58.000 -0.249 0.000 1.326 885 F CB 0.045 38.845 39.000 -0.334 0.000 1.027 885 F HN 0.007 nan 8.300 nan 0.000 0.497 886 L N -1.389 119.876 121.223 0.070 0.000 2.162 886 L HA -0.174 4.166 4.340 0.001 0.000 0.205 886 L C 2.375 179.263 176.870 0.030 0.000 1.086 886 L CA 1.035 55.916 54.840 0.068 0.000 0.778 886 L CB -1.415 40.705 42.059 0.101 0.000 0.928 886 L HN 0.219 nan 8.230 nan 0.000 0.446 887 C N -0.180 119.134 119.300 0.023 0.000 2.456 887 C HA -0.041 4.420 4.460 0.001 0.000 0.279 887 C C 2.492 177.526 174.990 0.073 0.000 1.427 887 C CA 0.047 59.090 59.018 0.041 0.000 1.778 887 C CB -0.697 27.065 27.740 0.035 0.000 1.842 887 C HN 0.389 nan 8.230 nan 0.000 0.531 888 L N 0.223 121.421 121.223 -0.041 0.000 2.592 888 L HA 0.143 4.483 4.340 0.001 0.000 0.227 888 L C 1.884 178.734 176.870 -0.034 0.000 1.127 888 L CA 0.602 55.386 54.840 -0.094 0.000 0.884 888 L CB -0.258 41.579 42.059 -0.369 0.000 1.065 888 L HN 0.331 nan 8.230 nan 0.000 0.457 889 A N -1.600 121.215 122.820 -0.009 0.000 2.551 889 A HA 0.427 4.748 4.320 0.001 0.000 0.252 889 A C 1.878 179.520 177.584 0.097 0.000 1.199 889 A CA 0.602 52.694 52.037 0.093 0.000 0.972 889 A CB 0.192 19.293 19.000 0.167 0.000 1.153 889 A HN 0.209 nan 8.150 nan 0.000 0.559 890 A N -0.594 122.265 122.820 0.066 0.000 2.067 890 A HA 0.291 4.611 4.320 0.001 0.000 0.217 890 A C 1.427 178.966 177.584 -0.075 0.000 1.156 890 A CA 1.223 53.269 52.037 0.016 0.000 0.683 890 A CB -0.078 18.936 19.000 0.022 0.000 0.808 890 A HN 0.359 nan 8.150 nan 0.000 0.455 891 L N -2.864 118.242 121.223 -0.195 0.000 2.993 891 L HA 0.237 4.577 4.340 0.001 0.000 0.264 891 L C -0.237 176.269 176.870 -0.607 0.000 1.154 891 L CA 0.622 55.167 54.840 -0.492 0.000 0.972 891 L CB -0.734 40.844 42.059 -0.802 0.000 1.373 891 L HN 0.509 nan 8.230 nan 0.000 0.564 892 Y N 0.894 121.182 120.300 -0.020 0.000 2.578 892 Y HA 0.280 4.831 4.550 0.001 0.000 0.317 892 Y C 0.545 176.457 175.900 0.021 0.000 0.940 892 Y CA -1.396 56.694 58.100 -0.017 0.000 1.174 892 Y CB -0.093 38.334 38.460 -0.054 0.000 1.198 892 Y HN 0.176 nan 8.280 nan 0.000 0.597 893 E N 0.119 120.394 120.200 0.126 0.000 2.498 893 E HA 0.251 4.601 4.350 0.001 0.000 0.252 893 E C 0.512 177.199 176.600 0.144 0.000 1.025 893 E CA 0.823 57.313 56.400 0.149 0.000 0.938 893 E CB 0.523 30.257 29.700 0.057 0.000 0.947 893 E HN 0.451 nan 8.360 nan 0.000 0.478 894 S N 2.188 118.044 115.700 0.259 0.000 3.327 894 S HA -0.052 4.419 4.470 0.001 0.000 0.175 894 S C 0.412 175.273 174.600 0.436 0.000 0.888 894 S CA -0.210 58.117 58.200 0.213 0.000 1.332 894 S CB -0.878 62.416 63.200 0.157 0.000 1.191 894 S HN 0.800 nan 8.310 nan 0.000 0.367 895 W N 1.791 123.160 121.300 0.116 0.000 2.248 895 W HA -0.283 4.378 4.660 0.001 0.000 0.283 895 W C 1.274 177.995 176.519 0.336 0.000 1.116 895 W CA 0.594 58.137 57.345 0.330 0.000 0.508 895 W CB -1.815 27.841 29.460 0.327 0.000 2.155 895 W HN 0.671 nan 8.180 nan 0.000 1.207 896 S N -1.138 114.787 115.700 0.375 0.000 2.691 896 S HA 0.088 4.559 4.470 0.001 0.000 0.241 896 S C 1.164 175.867 174.600 0.172 0.000 1.077 896 S CA 0.641 58.969 58.200 0.213 0.000 0.900 896 S CB -0.329 62.901 63.200 0.051 0.000 0.805 896 S HN 0.132 nan 8.310 nan 0.000 0.529 897 I N 2.851 123.480 120.570 0.098 0.000 2.286 897 I HA 0.048 4.219 4.170 0.001 0.000 0.245 897 I C -1.181 174.846 176.117 -0.151 0.000 1.104 897 I CA 0.551 61.839 61.300 -0.020 0.000 1.397 897 I CB -1.130 36.869 38.000 -0.001 0.000 1.072 897 I HN 0.225 nan 8.210 nan 0.000 0.417 898 P HA -0.149 nan 4.420 nan 0.000 0.222 898 P C 0.979 177.875 177.300 -0.672 0.000 1.142 898 P CA 1.580 64.210 63.100 -0.784 0.000 0.788 898 P CB -0.093 30.644 31.700 -1.605 0.000 0.767 899 F N -2.524 117.367 119.950 -0.097 0.000 2.724 899 F HA 0.209 4.737 4.527 0.001 0.000 0.306 899 F C 2.359 178.137 175.800 -0.036 0.000 1.100 899 F CA 0.156 58.154 58.000 -0.004 0.000 1.255 899 F CB -0.806 38.215 39.000 0.034 0.000 1.072 899 F HN -0.149 nan 8.300 nan 0.000 0.589 900 S N 0.285 116.036 115.700 0.085 0.000 2.338 900 S HA -0.138 4.332 4.470 0.001 0.000 0.218 900 S C 2.148 176.733 174.600 -0.025 0.000 1.032 900 S CA 1.638 59.852 58.200 0.023 0.000 0.999 900 S CB -0.657 62.535 63.200 -0.013 0.000 0.905 900 S HN 0.123 nan 8.310 nan 0.000 0.439 901 V N 2.431 122.289 119.914 -0.093 0.000 2.913 901 V HA -0.024 4.096 4.120 0.001 0.000 0.260 901 V C 1.998 178.060 176.094 -0.053 0.000 1.098 901 V CA 1.278 63.516 62.300 -0.104 0.000 1.121 901 V CB -0.607 31.105 31.823 -0.185 0.000 0.714 901 V HN 0.551 nan 8.190 nan 0.000 0.487 902 M N -1.016 118.567 119.600 -0.028 0.000 2.700 902 M HA -0.020 4.460 4.480 0.001 0.000 0.249 902 M C 1.634 177.971 176.300 0.061 0.000 1.082 902 M CA 1.375 56.683 55.300 0.013 0.000 1.077 902 M CB -0.690 31.935 32.600 0.042 0.000 1.477 902 M HN 0.322 nan 8.290 nan 0.000 0.529 903 L N -0.927 120.333 121.223 0.061 0.000 2.425 903 L HA 0.017 4.357 4.340 0.001 0.000 0.215 903 L C 2.264 179.233 176.870 0.165 0.000 1.065 903 L CA 0.307 55.229 54.840 0.136 0.000 0.842 903 L CB -0.625 41.423 42.059 -0.017 0.000 1.033 903 L HN 0.102 nan 8.230 nan 0.000 0.474 904 V N -2.018 117.941 119.914 0.074 0.000 2.688 904 V HA -0.192 3.929 4.120 0.001 0.000 0.256 904 V C 2.544 178.657 176.094 0.033 0.000 1.084 904 V CA 1.179 63.511 62.300 0.052 0.000 1.103 904 V CB -1.323 30.499 31.823 -0.002 0.000 0.688 904 V HN 0.187 nan 8.190 nan 0.000 0.480 905 V N 0.991 120.920 119.914 0.024 0.000 2.222 905 V HA -0.236 3.884 4.120 0.001 0.000 0.252 905 V C 0.426 176.504 176.094 -0.028 0.000 1.060 905 V CA 2.970 65.265 62.300 -0.008 0.000 1.027 905 V CB -2.375 29.438 31.823 -0.016 0.000 0.644 905 V HN 0.562 nan 8.190 nan 0.000 0.448 906 P HA 0.090 nan 4.420 nan 0.000 0.245 906 P C 1.595 178.861 177.300 -0.058 0.000 1.206 906 P CA 0.362 63.413 63.100 -0.082 0.000 0.781 906 P CB 0.025 31.634 31.700 -0.152 0.000 0.994 907 L N -0.094 121.135 121.223 0.010 0.000 2.017 907 L HA -0.078 4.263 4.340 0.001 0.000 0.208 907 L C 2.533 179.407 176.870 0.008 0.000 1.073 907 L CA 2.481 57.340 54.840 0.031 0.000 0.745 907 L CB -1.686 40.424 42.059 0.084 0.000 0.894 907 L HN 0.042 nan 8.230 nan 0.000 0.432 908 G N -1.920 106.878 108.800 -0.003 0.000 2.411 908 G HA2 -0.091 3.870 3.960 0.001 0.000 0.213 908 G HA3 -0.091 3.870 3.960 0.001 0.000 0.213 908 G C 1.576 176.473 174.900 -0.005 0.000 1.166 908 G CA 0.677 45.770 45.100 -0.012 0.000 0.802 908 G HN 0.218 nan 8.290 nan 0.000 0.533 909 V N 1.129 121.030 119.914 -0.021 0.000 2.407 909 V HA -0.145 3.976 4.120 0.001 0.000 0.248 909 V C 2.599 178.710 176.094 0.029 0.000 1.055 909 V CA 1.426 63.717 62.300 -0.015 0.000 1.049 909 V CB -0.327 31.451 31.823 -0.076 0.000 0.662 909 V HN 0.382 nan 8.190 nan 0.000 0.455 910 I N 1.590 122.160 120.570 -0.001 0.000 2.194 910 I HA -0.186 3.984 4.170 0.001 0.000 0.246 910 I C 2.219 178.362 176.117 0.043 0.000 1.093 910 I CA 2.088 63.395 61.300 0.012 0.000 1.355 910 I CB -0.881 37.100 38.000 -0.032 0.000 1.046 910 I HN 0.221 nan 8.210 nan 0.000 0.413 911 G N -0.539 108.283 108.800 0.037 0.000 2.403 911 G HA2 -0.102 3.859 3.960 0.001 0.000 0.216 911 G HA3 -0.102 3.859 3.960 0.001 0.000 0.216 911 G C 1.719 176.674 174.900 0.092 0.000 1.154 911 G CA 0.622 45.748 45.100 0.043 0.000 0.784 911 G HN 0.613 nan 8.290 nan 0.000 0.538 912 A N 0.853 123.758 122.820 0.143 0.000 1.877 912 A HA 0.077 4.397 4.320 0.001 0.000 0.216 912 A C 2.415 180.239 177.584 0.400 0.000 1.186 912 A CA 1.262 53.468 52.037 0.283 0.000 0.620 912 A CB -0.529 18.632 19.000 0.268 0.000 0.822 912 A HN 0.326 nan 8.150 nan 0.000 0.443 913 L N -0.888 120.574 121.223 0.399 0.000 2.013 913 L HA -0.242 4.098 4.340 0.001 0.000 0.212 913 L C 2.650 179.589 176.870 0.114 0.000 1.073 913 L CA 1.769 56.799 54.840 0.317 0.000 0.753 913 L CB -0.516 41.700 42.059 0.261 0.000 0.890 913 L HN 0.513 nan 8.230 nan 0.000 0.432 914 L N -0.703 120.578 121.223 0.097 0.000 2.083 914 L HA -0.200 4.140 4.340 0.001 0.000 0.209 914 L C 2.632 179.536 176.870 0.056 0.000 1.083 914 L CA 1.422 56.297 54.840 0.059 0.000 0.752 914 L CB -0.235 41.839 42.059 0.025 0.000 0.899 914 L HN 0.241 nan 8.230 nan 0.000 0.433 915 A N -0.581 122.265 122.820 0.043 0.000 1.929 915 A HA -0.045 4.276 4.320 0.001 0.000 0.216 915 A C 2.352 179.954 177.584 0.030 0.000 1.176 915 A CA 1.320 53.388 52.037 0.051 0.000 0.628 915 A CB -0.729 18.296 19.000 0.042 0.000 0.816 915 A HN 0.523 nan 8.150 nan 0.000 0.444 916 A N -1.038 121.717 122.820 -0.110 0.000 2.016 916 A HA 0.031 4.352 4.320 0.001 0.000 0.217 916 A C 2.126 179.615 177.584 -0.158 0.000 1.162 916 A CA 1.909 53.785 52.037 -0.268 0.000 0.662 916 A CB -0.791 17.733 19.000 -0.793 0.000 0.812 916 A HN 0.404 nan 8.150 nan 0.000 0.450 917 T N -1.221 113.294 114.554 -0.065 0.000 3.043 917 T HA 0.045 4.396 4.350 0.001 0.000 0.263 917 T C 1.446 176.177 174.700 0.051 0.000 1.094 917 T CA 0.897 62.986 62.100 -0.019 0.000 1.127 917 T CB -0.240 68.635 68.868 0.012 0.000 0.905 917 T HN 0.442 nan 8.240 nan 0.000 0.490 918 F N 1.970 121.886 119.950 -0.058 0.000 2.074 918 F HA 0.279 4.807 4.527 0.001 0.000 0.290 918 F C 1.353 177.128 175.800 -0.041 0.000 1.118 918 F CA 0.562 58.540 58.000 -0.038 0.000 1.199 918 F CB -0.050 38.933 39.000 -0.028 0.000 1.012 918 F HN -0.135 nan 8.300 nan 0.000 0.472 919 R N -0.398 120.074 120.500 -0.047 0.000 2.668 919 R HA 0.251 4.592 4.340 0.001 0.000 0.268 919 R C 0.994 177.225 176.300 -0.115 0.000 1.232 919 R CA 0.317 56.334 56.100 -0.138 0.000 1.166 919 R CB 0.109 30.397 30.300 -0.020 0.000 1.179 919 R HN 0.333 nan 8.270 nan 0.000 0.606 920 G N 1.510 110.251 108.800 -0.099 0.000 3.279 920 G HA2 0.088 4.048 3.960 0.001 0.000 0.230 920 G HA3 0.088 4.048 3.960 0.001 0.000 0.230 920 G C 0.442 175.301 174.900 -0.068 0.000 1.230 920 G CA -0.229 44.822 45.100 -0.081 0.000 0.891 920 G HN 0.149 nan 8.290 nan 0.000 0.518 921 L N -0.049 121.122 121.223 -0.085 0.000 2.472 921 L HA 0.427 4.768 4.340 0.001 0.000 0.260 921 L C 0.774 177.564 176.870 -0.133 0.000 1.209 921 L CA 0.517 55.294 54.840 -0.104 0.000 0.817 921 L CB 0.994 42.955 42.059 -0.163 0.000 1.106 921 L HN 0.056 nan 8.230 nan 0.000 0.479 922 T N 0.083 114.568 114.554 -0.114 0.000 2.864 922 T HA 0.242 4.593 4.350 0.001 0.000 0.289 922 T C -0.233 174.434 174.700 -0.056 0.000 1.082 922 T CA -0.653 61.392 62.100 -0.092 0.000 1.009 922 T CB 1.301 70.153 68.868 -0.027 0.000 1.234 922 T HN 0.562 nan 8.240 nan 0.000 0.526 923 N N 2.362 121.083 118.700 0.035 0.000 2.739 923 N HA 0.171 4.912 4.740 0.001 0.000 0.266 923 N C -0.124 175.494 175.510 0.180 0.000 1.168 923 N CA -0.306 52.884 53.050 0.234 0.000 1.055 923 N CB -0.017 38.549 38.487 0.131 0.000 1.393 923 N HN 0.580 nan 8.380 nan 0.000 0.514 924 D N -0.126 120.398 120.400 0.206 0.000 2.595 924 D HA 0.091 4.732 4.640 0.001 0.000 0.268 924 D C 0.896 177.252 176.300 0.093 0.000 1.181 924 D CA -0.610 53.441 54.000 0.084 0.000 1.085 924 D CB 0.594 41.413 40.800 0.032 0.000 1.186 924 D HN 0.020 nan 8.370 nan 0.000 0.621 925 V N -0.637 119.195 119.914 -0.135 0.000 2.379 925 V HA -0.237 3.883 4.120 0.001 0.000 0.245 925 V C 2.229 178.442 176.094 0.199 0.000 1.044 925 V CA 1.350 63.630 62.300 -0.034 0.000 1.036 925 V CB -0.988 30.552 31.823 -0.472 0.000 0.664 925 V HN 0.479 nan 8.190 nan 0.000 0.453 926 Y N -1.425 119.061 120.300 0.310 0.000 2.181 926 Y HA -0.267 4.284 4.550 0.001 0.000 0.288 926 Y C 2.332 178.402 175.900 0.283 0.000 1.146 926 Y CA 1.863 60.198 58.100 0.392 0.000 1.164 926 Y CB -0.428 38.234 38.460 0.337 0.000 0.982 926 Y HN 0.287 nan 8.280 nan 0.000 0.515 927 F N 1.260 121.359 119.950 0.248 0.000 2.259 927 F HA -0.164 4.363 4.527 0.001 0.000 0.298 927 F C 2.332 178.194 175.800 0.103 0.000 1.088 927 F CA 1.371 59.456 58.000 0.142 0.000 1.358 927 F CB -0.505 38.559 39.000 0.107 0.000 1.040 927 F HN 0.023 nan 8.300 nan 0.000 0.505 928 Q N -0.358 119.454 119.800 0.020 0.000 2.167 928 Q HA -0.077 4.264 4.340 0.001 0.000 0.202 928 Q C 1.796 177.685 176.000 -0.186 0.000 0.970 928 Q CA 1.736 57.476 55.803 -0.104 0.000 0.855 928 Q CB -0.048 28.735 28.738 0.074 0.000 0.911 928 Q HN 0.318 nan 8.270 nan 0.000 0.438 929 V N -0.977 118.852 119.914 -0.142 0.000 2.992 929 V HA 0.089 4.209 4.120 0.001 0.000 0.250 929 V C 1.986 177.889 176.094 -0.318 0.000 1.090 929 V CA 1.164 63.252 62.300 -0.354 0.000 1.101 929 V CB -0.104 31.383 31.823 -0.560 0.000 0.743 929 V HN 0.500 nan 8.190 nan 0.000 0.468 930 G N -0.103 108.603 108.800 -0.157 0.000 2.498 930 G HA2 -0.164 3.797 3.960 0.001 0.000 0.219 930 G HA3 -0.164 3.797 3.960 0.001 0.000 0.219 930 G C 1.518 176.357 174.900 -0.101 0.000 1.119 930 G CA 0.654 45.724 45.100 -0.050 0.000 0.766 930 G HN 0.454 nan 8.290 nan 0.000 0.552 931 L N -0.441 120.630 121.223 -0.253 0.000 2.127 931 L HA 0.171 4.511 4.340 0.001 0.000 0.203 931 L C 2.818 179.604 176.870 -0.140 0.000 1.080 931 L CA 0.216 54.900 54.840 -0.260 0.000 0.768 931 L CB -0.232 41.587 42.059 -0.400 0.000 0.924 931 L HN 0.162 nan 8.230 nan 0.000 0.444 932 L N -0.645 120.465 121.223 -0.188 0.000 2.012 932 L HA -0.250 4.091 4.340 0.001 0.000 0.210 932 L C 2.571 179.486 176.870 0.075 0.000 1.073 932 L CA 1.795 56.512 54.840 -0.205 0.000 0.748 932 L CB -0.990 40.618 42.059 -0.751 0.000 0.891 932 L HN 0.293 nan 8.230 nan 0.000 0.431 933 T N -1.723 112.898 114.554 0.111 0.000 2.788 933 T HA -0.178 4.173 4.350 0.001 0.000 0.268 933 T C 1.891 176.632 174.700 0.068 0.000 1.044 933 T CA 1.747 63.988 62.100 0.235 0.000 1.139 933 T CB -0.284 68.708 68.868 0.207 0.000 0.867 933 T HN 0.306 nan 8.240 nan 0.000 0.454 934 T N 1.741 116.300 114.554 0.007 0.000 2.759 934 T HA 0.008 4.358 4.350 0.001 0.000 0.269 934 T C 1.874 176.546 174.700 -0.046 0.000 1.042 934 T CA 0.904 62.977 62.100 -0.045 0.000 1.140 934 T CB -0.363 68.484 68.868 -0.035 0.000 0.864 934 T HN 0.317 nan 8.240 nan 0.000 0.455 935 I N 0.621 121.185 120.570 -0.010 0.000 2.500 935 I HA 0.036 4.206 4.170 0.001 0.000 0.252 935 I C 2.658 178.779 176.117 0.007 0.000 1.142 935 I CA 0.844 62.142 61.300 -0.002 0.000 1.451 935 I CB -0.416 37.595 38.000 0.018 0.000 1.093 935 I HN 0.258 nan 8.210 nan 0.000 0.430 936 G N 0.931 109.762 108.800 0.053 0.000 2.434 936 G HA2 -0.192 3.769 3.960 0.001 0.000 0.214 936 G HA3 -0.192 3.769 3.960 0.001 0.000 0.214 936 G C 1.661 176.518 174.900 -0.072 0.000 1.202 936 G CA 0.550 45.655 45.100 0.008 0.000 0.788 936 G HN 0.236 nan 8.290 nan 0.000 0.539 937 L N 0.659 121.818 121.223 -0.106 0.000 2.043 937 L HA -0.148 4.192 4.340 0.001 0.000 0.212 937 L C 3.160 179.945 176.870 -0.141 0.000 1.075 937 L CA 1.410 56.148 54.840 -0.170 0.000 0.752 937 L CB -0.467 41.403 42.059 -0.315 0.000 0.891 937 L HN 0.203 nan 8.230 nan 0.000 0.432 938 S N -0.814 114.820 115.700 -0.111 0.000 2.374 938 S HA -0.252 4.219 4.470 0.001 0.000 0.227 938 S C 2.137 176.686 174.600 -0.084 0.000 1.037 938 S CA 1.358 59.508 58.200 -0.084 0.000 1.024 938 S CB -0.257 62.910 63.200 -0.055 0.000 0.861 938 S HN 0.522 nan 8.310 nan 0.000 0.456 939 A N 1.119 123.887 122.820 -0.085 0.000 1.877 939 A HA -0.133 4.188 4.320 0.001 0.000 0.216 939 A C 1.944 179.453 177.584 -0.125 0.000 1.186 939 A CA 2.131 54.105 52.037 -0.105 0.000 0.620 939 A CB -0.653 18.289 19.000 -0.096 0.000 0.822 939 A HN 0.451 nan 8.150 nan 0.000 0.443 940 K N 0.526 120.855 120.400 -0.118 0.000 1.988 940 K HA -0.215 4.106 4.320 0.001 0.000 0.221 940 K C 1.821 178.341 176.600 -0.134 0.000 1.053 940 K CA 2.172 58.385 56.287 -0.124 0.000 0.959 940 K CB -0.445 31.984 32.500 -0.119 0.000 0.728 940 K HN 0.468 nan 8.250 nan 0.000 0.447 941 N N 0.297 118.922 118.700 -0.125 0.000 2.069 941 N HA -0.258 4.483 4.740 0.001 0.000 0.196 941 N C 1.693 177.124 175.510 -0.132 0.000 1.024 941 N CA 1.922 54.900 53.050 -0.119 0.000 0.869 941 N CB -0.683 37.745 38.487 -0.098 0.000 1.035 941 N HN 0.428 nan 8.380 nan 0.000 0.434 942 A N 1.065 123.808 122.820 -0.127 0.000 1.872 942 A HA 0.001 4.321 4.320 0.001 0.000 0.214 942 A C 2.401 179.888 177.584 -0.162 0.000 1.187 942 A CA 0.832 52.788 52.037 -0.135 0.000 0.614 942 A CB -0.686 18.248 19.000 -0.109 0.000 0.826 942 A HN 0.209 nan 8.150 nan 0.000 0.442 943 I N 0.173 120.632 120.570 -0.186 0.000 2.423 943 I HA -0.271 3.899 4.170 0.001 0.000 0.254 943 I C 2.168 178.182 176.117 -0.171 0.000 1.151 943 I CA 0.934 62.105 61.300 -0.215 0.000 1.421 943 I CB -0.207 37.651 38.000 -0.236 0.000 1.079 943 I HN 0.315 nan 8.210 nan 0.000 0.431 944 L N 0.208 121.308 121.223 -0.204 0.000 2.093 944 L HA -0.124 4.217 4.340 0.001 0.000 0.208 944 L C 1.800 178.566 176.870 -0.173 0.000 1.085 944 L CA 0.991 55.648 54.840 -0.303 0.000 0.755 944 L CB -0.407 41.475 42.059 -0.295 0.000 0.904 944 L HN 0.208 nan 8.230 nan 0.000 0.435 945 I N -0.336 120.151 120.570 -0.139 0.000 3.699 945 I HA -0.032 4.138 4.170 0.001 0.000 0.306 945 I C 0.887 176.974 176.117 -0.050 0.000 1.320 945 I CA 0.124 61.342 61.300 -0.135 0.000 1.220 945 I CB -0.313 37.455 38.000 -0.387 0.000 1.075 945 I HN 0.103 nan 8.210 nan 0.000 0.437 946 V N -0.411 119.498 119.914 -0.008 0.000 4.732 946 V HA -0.043 4.078 4.120 0.001 0.000 0.145 946 V C 1.976 178.133 176.094 0.105 0.000 1.249 946 V CA 0.193 62.514 62.300 0.034 0.000 1.164 946 V CB 0.056 31.849 31.823 -0.048 0.000 1.415 946 V HN 0.181 nan 8.190 nan 0.000 0.617 947 E N 0.911 121.174 120.200 0.105 0.000 2.136 947 E HA -0.246 4.104 4.350 0.001 0.000 0.202 947 E C 1.835 178.551 176.600 0.193 0.000 1.019 947 E CA 2.416 58.906 56.400 0.150 0.000 0.819 947 E CB -0.363 29.397 29.700 0.099 0.000 0.739 947 E HN 0.595 nan 8.360 nan 0.000 0.458 948 F N -0.490 119.498 119.950 0.064 0.000 2.060 948 F HA -0.119 4.409 4.527 0.001 0.000 0.295 948 F C 2.318 178.158 175.800 0.068 0.000 1.120 948 F CA 0.425 58.458 58.000 0.056 0.000 1.205 948 F CB -0.300 38.728 39.000 0.047 0.000 0.986 948 F HN 0.157 nan 8.300 nan 0.000 0.470 949 A N -0.785 122.212 122.820 0.296 0.000 2.172 949 A HA -0.154 4.166 4.320 0.001 0.000 0.216 949 A C 1.730 179.411 177.584 0.162 0.000 1.154 949 A CA 1.304 53.468 52.037 0.211 0.000 0.701 949 A CB -0.352 18.783 19.000 0.226 0.000 0.789 949 A HN 0.172 nan 8.150 nan 0.000 0.465 950 K N -0.347 120.145 120.400 0.153 0.000 2.335 950 K HA 0.093 4.414 4.320 0.001 0.000 0.195 950 K C 1.044 177.706 176.600 0.104 0.000 1.058 950 K CA 0.594 56.950 56.287 0.116 0.000 0.988 950 K CB 0.053 32.619 32.500 0.109 0.000 0.880 950 K HN 0.302 nan 8.250 nan 0.000 0.513 951 D N 0.313 120.787 120.400 0.124 0.000 2.264 951 D HA -0.059 4.581 4.640 0.001 0.000 0.208 951 D C 1.343 177.692 176.300 0.081 0.000 0.966 951 D CA 0.848 54.909 54.000 0.102 0.000 0.864 951 D CB 0.327 41.206 40.800 0.131 0.000 0.933 951 D HN 0.164 nan 8.370 nan 0.000 0.499 952 L N -0.356 120.922 121.223 0.093 0.000 2.477 952 L HA 0.158 4.499 4.340 0.001 0.000 0.220 952 L C 2.229 179.146 176.870 0.079 0.000 1.106 952 L CA 0.125 55.007 54.840 0.071 0.000 0.851 952 L CB 0.028 42.131 42.059 0.073 0.000 0.994 952 L HN -0.071 nan 8.230 nan 0.000 0.462 953 M N -1.036 118.621 119.600 0.096 0.000 2.514 953 M HA -0.020 4.460 4.480 0.001 0.000 0.258 953 M C 0.912 177.265 176.300 0.087 0.000 1.119 953 M CA 1.188 56.553 55.300 0.109 0.000 1.111 953 M CB 0.305 32.979 32.600 0.124 0.000 1.390 953 M HN 0.139 nan 8.290 nan 0.000 0.475 954 D N -0.428 120.013 120.400 0.068 0.000 3.234 954 D HA 0.034 4.674 4.640 0.001 0.000 0.281 954 D C 1.485 177.810 176.300 0.042 0.000 1.405 954 D CA 0.476 54.508 54.000 0.053 0.000 1.115 954 D CB -0.107 40.720 40.800 0.045 0.000 1.198 954 D HN 0.191 nan 8.370 nan 0.000 0.388 955 K N 0.752 121.176 120.400 0.040 0.000 2.103 955 K HA -0.061 4.260 4.320 0.001 0.000 0.207 955 K C 1.101 177.718 176.600 0.028 0.000 1.048 955 K CA 0.968 57.274 56.287 0.031 0.000 0.930 955 K CB 0.176 32.695 32.500 0.031 0.000 0.716 955 K HN 0.226 nan 8.250 nan 0.000 0.444 956 E N -0.072 120.148 120.200 0.033 0.000 2.518 956 E HA 0.226 4.576 4.350 0.001 0.000 0.248 956 E C 0.021 176.640 176.600 0.032 0.000 1.028 956 E CA -0.584 55.832 56.400 0.027 0.000 0.922 956 E CB 0.611 30.325 29.700 0.023 0.000 1.299 956 E HN 0.143 nan 8.360 nan 0.000 0.457 957 G N 1.241 110.056 108.800 0.026 0.000 2.272 957 G HA2 -0.120 3.840 3.960 0.001 0.000 0.247 957 G HA3 -0.120 3.840 3.960 0.001 0.000 0.247 957 G C 0.902 175.827 174.900 0.041 0.000 1.272 957 G CA 0.428 45.544 45.100 0.025 0.000 0.921 957 G HN 0.511 nan 8.290 nan 0.000 0.495 958 K N 2.658 123.087 120.400 0.049 0.000 2.031 958 K HA -0.202 4.119 4.320 0.001 0.000 0.228 958 K C 1.582 178.237 176.600 0.091 0.000 1.050 958 K CA 2.055 58.391 56.287 0.082 0.000 0.980 958 K CB -0.687 31.852 32.500 0.064 0.000 0.738 958 K HN 1.642 nan 8.250 nan 0.000 0.451 959 G N 0.941 109.759 108.800 0.030 0.000 2.387 959 G HA2 -0.251 3.710 3.960 0.001 0.000 0.270 959 G HA3 -0.251 3.710 3.960 0.001 0.000 0.270 959 G C 0.268 175.167 174.900 -0.002 0.000 0.957 959 G CA 0.473 45.576 45.100 0.005 0.000 1.352 959 G HN 0.427 nan 8.290 nan 0.000 0.457 960 L N 1.416 122.537 121.223 -0.169 0.000 2.012 960 L HA 0.009 4.349 4.340 0.001 0.000 0.210 960 L C 2.489 179.218 176.870 -0.235 0.000 1.073 960 L CA 2.508 57.052 54.840 -0.493 0.000 0.748 960 L CB 0.004 41.660 42.059 -0.673 0.000 0.891 960 L HN 0.861 nan 8.230 nan 0.000 0.431 961 I N -5.689 114.776 120.570 -0.175 0.000 4.102 961 I HA 0.216 4.386 4.170 0.001 0.000 0.325 961 I C 1.150 177.188 176.117 -0.133 0.000 1.471 961 I CA -0.163 61.050 61.300 -0.144 0.000 1.133 961 I CB 0.406 38.291 38.000 -0.192 0.000 1.184 961 I HN 0.032 nan 8.210 nan 0.000 0.451 962 E N 1.530 121.678 120.200 -0.085 0.000 2.340 962 E HA 0.300 4.651 4.350 0.001 0.000 0.198 962 E C 2.245 178.831 176.600 -0.023 0.000 0.961 962 E CA 0.831 57.191 56.400 -0.067 0.000 0.905 962 E CB 0.447 30.113 29.700 -0.057 0.000 0.884 962 E HN 0.593 nan 8.360 nan 0.000 0.491 963 A N 0.732 123.564 122.820 0.020 0.000 2.021 963 A HA -0.091 4.230 4.320 0.001 0.000 0.216 963 A C 2.275 179.924 177.584 0.109 0.000 1.163 963 A CA 1.553 53.630 52.037 0.066 0.000 0.676 963 A CB -0.710 18.348 19.000 0.097 0.000 0.818 963 A HN 0.343 nan 8.150 nan 0.000 0.453 964 T N -1.091 113.524 114.554 0.102 0.000 2.668 964 T HA -0.124 4.226 4.350 0.001 0.000 0.262 964 T C 1.912 176.666 174.700 0.090 0.000 1.045 964 T CA 1.315 63.530 62.100 0.192 0.000 1.152 964 T CB -0.738 68.183 68.868 0.089 0.000 0.864 964 T HN 0.265 nan 8.240 nan 0.000 0.419 965 L N 1.503 122.612 121.223 -0.192 0.000 2.079 965 L HA -0.111 4.229 4.340 0.001 0.000 0.210 965 L C 2.372 179.248 176.870 0.010 0.000 1.081 965 L CA 2.271 56.981 54.840 -0.216 0.000 0.752 965 L CB -0.576 41.340 42.059 -0.238 0.000 0.896 965 L HN 0.267 nan 8.230 nan 0.000 0.433 966 D N -0.374 120.045 120.400 0.031 0.000 2.178 966 D HA -0.164 4.476 4.640 0.001 0.000 0.202 966 D C 2.118 178.471 176.300 0.088 0.000 0.974 966 D CA 1.240 55.269 54.000 0.048 0.000 0.841 966 D CB 0.115 40.929 40.800 0.024 0.000 0.953 966 D HN 0.450 nan 8.370 nan 0.000 0.478 967 A N -0.035 122.881 122.820 0.160 0.000 1.877 967 A HA -0.109 4.212 4.320 0.001 0.000 0.216 967 A C 2.437 180.153 177.584 0.220 0.000 1.186 967 A CA 1.571 53.718 52.037 0.182 0.000 0.620 967 A CB -0.981 18.187 19.000 0.279 0.000 0.822 967 A HN 0.238 nan 8.150 nan 0.000 0.443 968 V N -0.107 120.022 119.914 0.359 0.000 3.041 968 V HA -0.087 4.033 4.120 0.001 0.000 0.260 968 V C 2.433 178.670 176.094 0.239 0.000 1.105 968 V CA 1.481 63.988 62.300 0.346 0.000 1.125 968 V CB -0.770 31.425 31.823 0.621 0.000 0.730 968 V HN 0.551 nan 8.190 nan 0.000 0.479 969 R N 1.046 121.655 120.500 0.181 0.000 2.152 969 R HA -0.072 4.268 4.340 0.001 0.000 0.232 969 R C 1.025 177.356 176.300 0.051 0.000 1.117 969 R CA 1.574 57.737 56.100 0.106 0.000 0.981 969 R CB -0.187 30.154 30.300 0.069 0.000 0.870 969 R HN 0.695 nan 8.270 nan 0.000 0.451 970 M N -1.499 118.122 119.600 0.036 0.000 3.124 970 M HA 0.395 4.875 4.480 0.001 0.000 0.298 970 M C 0.326 176.625 176.300 -0.002 0.000 1.403 970 M CA -0.243 55.049 55.300 -0.013 0.000 0.651 970 M CB 1.693 34.256 32.600 -0.061 0.000 1.412 970 M HN -0.224 nan 8.290 nan 0.000 0.477 971 R N 0.387 120.922 120.500 0.058 0.000 2.110 971 R HA 0.074 4.415 4.340 0.001 0.000 0.136 971 R C 0.980 177.317 176.300 0.061 0.000 0.787 971 R CA 0.135 56.316 56.100 0.136 0.000 1.827 971 R CB 0.096 30.566 30.300 0.284 0.000 1.418 971 R HN 0.630 nan 8.270 nan 0.000 0.467 972 L N 2.445 123.665 121.223 -0.004 0.000 2.051 972 L HA -0.204 4.136 4.340 0.001 0.000 0.214 972 L C 2.218 179.021 176.870 -0.112 0.000 1.076 972 L CA 2.292 57.050 54.840 -0.138 0.000 0.758 972 L CB -0.831 41.031 42.059 -0.329 0.000 0.890 972 L HN 0.321 nan 8.230 nan 0.000 0.433 973 R N 0.535 120.990 120.500 -0.075 0.000 2.103 973 R HA -0.151 4.189 4.340 0.001 0.000 0.234 973 R C -0.375 175.977 176.300 0.088 0.000 1.132 973 R CA 2.322 58.429 56.100 0.012 0.000 0.925 973 R CB -1.524 28.756 30.300 -0.033 0.000 0.842 973 R HN 0.350 nan 8.270 nan 0.000 0.430 974 P HA -0.139 nan 4.420 nan 0.000 0.220 974 P C 1.465 178.746 177.300 -0.033 0.000 1.148 974 P CA 1.087 64.197 63.100 0.017 0.000 0.803 974 P CB -0.200 31.528 31.700 0.047 0.000 0.782 975 I N -0.935 119.615 120.570 -0.033 0.000 2.202 975 I HA -0.155 4.015 4.170 0.001 0.000 0.242 975 I C 2.132 178.205 176.117 -0.073 0.000 1.091 975 I CA 1.313 62.577 61.300 -0.059 0.000 1.368 975 I CB -1.401 36.563 38.000 -0.059 0.000 1.058 975 I HN -0.035 nan 8.210 nan 0.000 0.410 976 L N -0.597 120.588 121.223 -0.062 0.000 2.558 976 L HA 0.075 4.415 4.340 0.001 0.000 0.225 976 L C 2.264 179.035 176.870 -0.165 0.000 1.128 976 L CA 0.818 55.621 54.840 -0.062 0.000 0.868 976 L CB -0.559 41.495 42.059 -0.010 0.000 1.006 976 L HN 0.170 nan 8.230 nan 0.000 0.454 977 M N -1.552 117.899 119.600 -0.249 0.000 2.236 977 M HA -0.144 4.337 4.480 0.001 0.000 0.266 977 M C 1.957 178.061 176.300 -0.326 0.000 1.070 977 M CA 1.424 56.387 55.300 -0.562 0.000 1.137 977 M CB 0.049 32.388 32.600 -0.436 0.000 1.378 977 M HN 0.180 nan 8.290 nan 0.000 0.426 978 T N -0.367 114.085 114.554 -0.171 0.000 2.698 978 T HA -0.117 4.234 4.350 0.001 0.000 0.260 978 T C 1.790 176.470 174.700 -0.033 0.000 1.044 978 T CA 1.854 63.904 62.100 -0.083 0.000 1.149 978 T CB -0.305 68.527 68.868 -0.061 0.000 0.864 978 T HN 0.455 nan 8.240 nan 0.000 0.419 979 S N 0.702 116.366 115.700 -0.060 0.000 2.400 979 S HA -0.097 4.373 4.470 0.001 0.000 0.232 979 S C 1.969 176.575 174.600 0.009 0.000 1.025 979 S CA 0.889 59.070 58.200 -0.032 0.000 0.993 979 S CB -0.430 62.731 63.200 -0.064 0.000 0.808 979 S HN 0.288 nan 8.310 nan 0.000 0.478 980 L N 1.771 122.961 121.223 -0.055 0.000 2.023 980 L HA 0.247 4.588 4.340 0.001 0.000 0.205 980 L C 2.566 179.409 176.870 -0.044 0.000 1.073 980 L CA 2.068 56.871 54.840 -0.061 0.000 0.745 980 L CB -1.388 40.589 42.059 -0.137 0.000 0.900 980 L HN 0.275 nan 8.230 nan 0.000 0.435 981 A N -0.975 121.797 122.820 -0.080 0.000 1.948 981 A HA -0.307 4.014 4.320 0.001 0.000 0.220 981 A C 2.311 179.898 177.584 0.005 0.000 1.177 981 A CA 2.224 54.228 52.037 -0.054 0.000 0.636 981 A CB -1.219 17.735 19.000 -0.077 0.000 0.815 981 A HN 0.594 nan 8.150 nan 0.000 0.449 982 F N 0.161 120.061 119.950 -0.083 0.000 2.149 982 F HA 0.010 4.538 4.527 0.001 0.000 0.294 982 F C 1.876 177.645 175.800 -0.052 0.000 1.095 982 F CA 1.620 59.582 58.000 -0.063 0.000 1.276 982 F CB -0.045 38.919 39.000 -0.060 0.000 1.023 982 F HN 0.136 nan 8.300 nan 0.000 0.480 983 I N 0.113 120.835 120.570 0.253 0.000 2.928 983 I HA -0.205 3.965 4.170 0.001 0.000 0.266 983 I C 1.825 177.951 176.117 0.016 0.000 1.234 983 I CA 0.630 62.031 61.300 0.168 0.000 1.483 983 I CB -0.325 37.765 38.000 0.149 0.000 1.097 983 I HN 0.229 nan 8.210 nan 0.000 0.455 984 L N 0.247 121.457 121.223 -0.020 0.000 2.162 984 L HA 0.056 4.397 4.340 0.001 0.000 0.205 984 L C 2.603 179.422 176.870 -0.085 0.000 1.086 984 L CA 1.102 55.914 54.840 -0.046 0.000 0.778 984 L CB -0.768 41.268 42.059 -0.039 0.000 0.928 984 L HN 0.255 nan 8.230 nan 0.000 0.446 985 G N -0.672 108.047 108.800 -0.136 0.000 2.484 985 G HA2 -0.111 3.850 3.960 0.001 0.000 0.218 985 G HA3 -0.111 3.850 3.960 0.001 0.000 0.218 985 G C 1.472 176.245 174.900 -0.212 0.000 1.130 985 G CA 0.491 45.485 45.100 -0.177 0.000 0.784 985 G HN 0.187 nan 8.290 nan 0.000 0.543 986 V N 0.660 120.435 119.914 -0.232 0.000 2.951 986 V HA -0.027 4.093 4.120 0.001 0.000 0.255 986 V C 2.550 178.574 176.094 -0.116 0.000 1.088 986 V CA 1.387 63.571 62.300 -0.194 0.000 1.109 986 V CB -0.132 31.600 31.823 -0.153 0.000 0.724 986 V HN 0.445 nan 8.190 nan 0.000 0.471 987 M N 0.652 120.200 119.600 -0.087 0.000 2.082 987 M HA -0.146 4.334 4.480 0.001 0.000 0.258 987 M C -0.336 175.922 176.300 -0.069 0.000 1.069 987 M CA 2.434 57.699 55.300 -0.060 0.000 1.102 987 M CB -1.022 31.552 32.600 -0.044 0.000 1.336 987 M HN 0.235 nan 8.290 nan 0.000 0.404 988 P HA -0.180 nan 4.420 nan 0.000 0.217 988 P C 1.291 178.530 177.300 -0.102 0.000 1.148 988 P CA 1.430 64.477 63.100 -0.087 0.000 0.834 988 P CB -0.264 31.377 31.700 -0.099 0.000 0.783 989 L N -1.903 119.245 121.223 -0.125 0.000 2.102 989 L HA -0.069 4.272 4.340 0.001 0.000 0.202 989 L C 2.435 179.235 176.870 -0.116 0.000 1.076 989 L CA 0.938 55.685 54.840 -0.155 0.000 0.761 989 L CB -1.327 40.600 42.059 -0.219 0.000 0.921 989 L HN -0.173 nan 8.230 nan 0.000 0.444 990 V N 0.790 120.653 119.914 -0.085 0.000 2.252 990 V HA -0.232 3.888 4.120 0.001 0.000 0.249 990 V C 1.576 177.649 176.094 -0.036 0.000 1.056 990 V CA 1.818 64.088 62.300 -0.049 0.000 1.022 990 V CB -0.477 31.333 31.823 -0.022 0.000 0.641 990 V HN 0.329 nan 8.190 nan 0.000 0.445 991 I N -3.688 116.861 120.570 -0.034 0.000 4.442 991 I HA 0.518 4.689 4.170 0.001 0.000 0.209 991 I C 1.606 177.702 176.117 -0.035 0.000 1.016 991 I CA -0.064 61.222 61.300 -0.024 0.000 1.579 991 I CB 0.566 38.561 38.000 -0.009 0.000 1.300 991 I HN 0.127 nan 8.210 nan 0.000 0.409 992 S N 0.037 115.721 115.700 -0.026 0.000 4.159 992 S HA -0.244 4.226 4.470 0.001 0.000 0.538 992 S C 0.665 175.245 174.600 -0.034 0.000 1.851 992 S CA 2.118 60.300 58.200 -0.031 0.000 4.234 992 S CB -2.174 61.001 63.200 -0.042 0.000 0.389 992 S HN 0.997 nan 8.310 nan 0.000 0.454 993 T N 0.687 115.210 114.554 -0.052 0.000 2.888 993 T HA 0.492 4.842 4.350 0.001 0.000 0.301 993 T C 0.449 175.124 174.700 -0.043 0.000 1.001 993 T CA 0.351 62.416 62.100 -0.058 0.000 1.147 993 T CB 1.323 70.140 68.868 -0.086 0.000 0.931 993 T HN 1.409 nan 8.240 nan 0.000 0.541 994 G N 0.222 109.005 108.800 -0.028 0.000 5.338 994 G HA2 0.594 4.554 3.960 0.001 0.000 0.198 994 G HA3 0.594 4.554 3.960 0.001 0.000 0.198 994 G C 0.119 175.030 174.900 0.019 0.000 0.708 994 G CA 0.036 45.133 45.100 -0.005 0.000 0.626 994 G HN 1.115 nan 8.290 nan 0.000 0.419 995 A N -0.796 122.025 122.820 0.002 0.000 1.461 995 A HA 0.549 4.869 4.320 0.001 0.000 0.209 995 A C 2.063 179.596 177.584 -0.085 0.000 1.769 995 A CA 1.494 53.556 52.037 0.043 0.000 1.456 995 A CB -0.742 18.306 19.000 0.081 0.000 1.363 995 A HN 1.024 nan 8.150 nan 0.000 0.395 996 G N -0.367 108.265 108.800 -0.280 0.000 2.408 996 G HA2 0.235 4.196 3.960 0.001 0.000 0.217 996 G HA3 0.235 4.196 3.960 0.001 0.000 0.217 996 G C 0.669 175.393 174.900 -0.293 0.000 1.150 996 G CA 1.698 46.458 45.100 -0.566 0.000 0.776 996 G HN 1.205 nan 8.290 nan 0.000 0.542 997 S N -1.029 114.591 115.700 -0.132 0.000 2.609 997 S HA 0.485 4.955 4.470 0.001 0.000 0.250 997 S C 0.927 175.529 174.600 0.004 0.000 1.112 997 S CA 0.207 58.391 58.200 -0.027 0.000 1.102 997 S CB 0.795 63.972 63.200 -0.037 0.000 1.124 997 S HN 0.332 nan 8.310 nan 0.000 0.460 998 G N 2.378 111.216 108.800 0.063 0.000 2.650 998 G HA2 0.169 4.129 3.960 0.001 0.000 0.214 998 G HA3 0.169 4.129 3.960 0.001 0.000 0.214 998 G C 1.354 176.286 174.900 0.053 0.000 1.136 998 G CA 0.602 45.734 45.100 0.054 0.000 0.789 998 G HN 0.864 nan 8.290 nan 0.000 0.536 999 A N 0.481 123.351 122.820 0.084 0.000 2.015 999 A HA -0.024 4.296 4.320 0.001 0.000 0.219 999 A C 2.242 179.637 177.584 -0.314 0.000 1.163 999 A CA 1.491 53.531 52.037 0.005 0.000 0.646 999 A CB -0.243 18.856 19.000 0.166 0.000 0.806 999 A HN 0.437 nan 8.150 nan 0.000 0.448 1000 Q N -0.323 119.315 119.800 -0.270 0.000 2.124 1000 Q HA -0.187 4.153 4.340 0.001 0.000 0.202 1000 Q C 1.599 177.427 176.000 -0.285 0.000 0.977 1000 Q CA 1.639 57.173 55.803 -0.448 0.000 0.850 1000 Q CB -0.230 28.338 28.738 -0.282 0.000 0.901 1000 Q HN 0.738 nan 8.270 nan 0.000 0.429 1001 N N 0.531 119.143 118.700 -0.147 0.000 2.331 1001 N HA -0.074 4.667 4.740 0.001 0.000 0.180 1001 N C 1.405 176.887 175.510 -0.047 0.000 1.019 1001 N CA 1.096 54.099 53.050 -0.079 0.000 0.881 1001 N CB -0.144 38.323 38.487 -0.034 0.000 0.972 1001 N HN 0.218 nan 8.380 nan 0.000 0.435 1002 A N 0.041 122.842 122.820 -0.031 0.000 2.014 1002 A HA 0.008 4.329 4.320 0.001 0.000 0.218 1002 A C 2.101 179.757 177.584 0.119 0.000 1.163 1002 A CA 0.900 52.990 52.037 0.088 0.000 0.652 1002 A CB -0.307 18.855 19.000 0.270 0.000 0.808 1002 A HN 0.103 nan 8.150 nan 0.000 0.449 1003 V N -0.689 119.189 119.914 -0.059 0.000 2.341 1003 V HA -0.003 4.117 4.120 0.001 0.000 0.240 1003 V C 2.825 178.927 176.094 0.014 0.000 1.035 1003 V CA 1.634 63.925 62.300 -0.014 0.000 1.033 1003 V CB -1.463 30.195 31.823 -0.276 0.000 0.678 1003 V HN 0.500 nan 8.190 nan 0.000 0.464 1004 G N -0.062 108.693 108.800 -0.074 0.000 2.418 1004 G HA2 -0.236 3.724 3.960 0.001 0.000 0.217 1004 G HA3 -0.236 3.724 3.960 0.001 0.000 0.217 1004 G C 1.676 176.595 174.900 0.031 0.000 1.158 1004 G CA 1.636 46.716 45.100 -0.034 0.000 0.771 1004 G HN 0.449 nan 8.290 nan 0.000 0.545 1005 T N 0.957 115.525 114.554 0.023 0.000 2.759 1005 T HA -0.079 4.271 4.350 0.001 0.000 0.269 1005 T C 2.447 177.193 174.700 0.077 0.000 1.042 1005 T CA 1.518 63.639 62.100 0.034 0.000 1.140 1005 T CB -0.463 68.407 68.868 0.002 0.000 0.864 1005 T HN 0.370 nan 8.240 nan 0.000 0.455 1006 G N 0.712 109.603 108.800 0.152 0.000 2.408 1006 G HA2 -0.103 3.858 3.960 0.001 0.000 0.217 1006 G HA3 -0.103 3.858 3.960 0.001 0.000 0.217 1006 G C 1.650 176.738 174.900 0.313 0.000 1.150 1006 G CA 0.824 46.151 45.100 0.378 0.000 0.776 1006 G HN 0.460 nan 8.290 nan 0.000 0.542 1007 V N 0.719 120.760 119.914 0.212 0.000 2.273 1007 V HA -0.078 4.042 4.120 0.001 0.000 0.242 1007 V C 2.643 178.844 176.094 0.178 0.000 1.035 1007 V CA 1.733 64.148 62.300 0.192 0.000 1.013 1007 V CB -0.631 31.332 31.823 0.234 0.000 0.652 1007 V HN 0.332 nan 8.190 nan 0.000 0.452 1008 M N 0.710 120.407 119.600 0.163 0.000 2.113 1008 M HA -0.266 4.215 4.480 0.001 0.000 0.255 1008 M C 2.146 178.499 176.300 0.088 0.000 1.073 1008 M CA 2.699 58.075 55.300 0.126 0.000 1.091 1008 M CB -0.856 31.791 32.600 0.079 0.000 1.309 1008 M HN 0.507 nan 8.290 nan 0.000 0.407 1009 G N -1.237 107.615 108.800 0.086 0.000 2.476 1009 G HA2 -0.226 3.734 3.960 0.001 0.000 0.218 1009 G HA3 -0.226 3.734 3.960 0.001 0.000 0.218 1009 G C 1.340 176.278 174.900 0.062 0.000 1.164 1009 G CA 1.132 46.272 45.100 0.067 0.000 0.768 1009 G HN 0.636 nan 8.290 nan 0.000 0.560 1010 G N -0.081 108.769 108.800 0.084 0.000 2.408 1010 G HA2 -0.131 3.830 3.960 0.001 0.000 0.217 1010 G HA3 -0.131 3.830 3.960 0.001 0.000 0.217 1010 G C 1.808 176.706 174.900 -0.002 0.000 1.150 1010 G CA 0.975 46.103 45.100 0.047 0.000 0.776 1010 G HN 0.264 nan 8.290 nan 0.000 0.542 1011 M N 0.420 120.011 119.600 -0.015 0.000 2.200 1011 M HA 0.033 4.513 4.480 0.001 0.000 0.265 1011 M C 2.770 179.052 176.300 -0.029 0.000 1.066 1011 M CA 0.607 55.860 55.300 -0.079 0.000 1.127 1011 M CB -0.706 31.829 32.600 -0.108 0.000 1.379 1011 M HN 0.116 nan 8.290 nan 0.000 0.420 1012 V N 0.164 120.083 119.914 0.008 0.000 2.255 1012 V HA -0.278 3.842 4.120 0.001 0.000 0.247 1012 V C 2.096 178.204 176.094 0.023 0.000 1.051 1012 V CA 2.262 64.573 62.300 0.018 0.000 1.018 1012 V CB -1.140 30.692 31.823 0.015 0.000 0.641 1012 V HN 0.456 nan 8.190 nan 0.000 0.445 1013 T N -0.558 114.005 114.554 0.016 0.000 3.100 1013 T HA 0.222 4.573 4.350 0.001 0.000 0.253 1013 T C 1.772 176.489 174.700 0.028 0.000 1.118 1013 T CA 0.817 62.930 62.100 0.022 0.000 1.058 1013 T CB 0.109 68.982 68.868 0.008 0.000 0.953 1013 T HN 0.519 nan 8.240 nan 0.000 0.515 1014 A N 2.406 125.231 122.820 0.008 0.000 1.835 1014 A HA -0.028 4.293 4.320 0.001 0.000 0.213 1014 A C 2.608 180.205 177.584 0.022 0.000 1.210 1014 A CA 1.791 53.826 52.037 -0.003 0.000 0.605 1014 A CB -1.229 17.737 19.000 -0.056 0.000 0.860 1014 A HN 0.540 nan 8.150 nan 0.000 0.447 1015 T N -1.726 112.834 114.554 0.010 0.000 2.668 1015 T HA -0.035 4.315 4.350 0.001 0.000 0.258 1015 T C 0.897 175.672 174.700 0.125 0.000 1.051 1015 T CA 1.100 63.224 62.100 0.039 0.000 1.155 1015 T CB -1.225 67.642 68.868 -0.001 0.000 0.864 1015 T HN 0.105 nan 8.240 nan 0.000 0.413 1016 V N 3.288 123.282 119.914 0.132 0.000 2.220 1016 V HA 0.360 4.481 4.120 0.001 0.000 0.236 1016 V C 0.720 176.974 176.094 0.266 0.000 1.314 1016 V CA 0.629 63.066 62.300 0.228 0.000 1.349 1016 V CB -0.971 30.958 31.823 0.176 0.000 1.428 1016 V HN 0.607 nan 8.190 nan 0.000 0.495 1017 L N 2.951 124.395 121.223 0.368 0.000 1.243 1017 L HA 0.027 4.367 4.340 0.001 0.000 0.116 1017 L C 1.727 178.796 176.870 0.331 0.000 1.492 1017 L CA 1.595 56.632 54.840 0.328 0.000 1.219 1017 L CB -1.072 41.084 42.059 0.163 0.000 2.253 1017 L HN 0.296 nan 8.230 nan 0.000 0.449 1018 A N 0.353 123.313 122.820 0.233 0.000 1.821 1018 A HA -0.067 4.253 4.320 0.001 0.000 0.215 1018 A C 1.928 179.644 177.584 0.220 0.000 1.214 1018 A CA 2.242 54.389 52.037 0.184 0.000 0.608 1018 A CB -0.924 18.128 19.000 0.086 0.000 0.862 1018 A HN 0.597 nan 8.150 nan 0.000 0.448 1019 I N -1.613 119.072 120.570 0.191 0.000 2.185 1019 I HA -0.194 3.977 4.170 0.001 0.000 0.246 1019 I C 1.420 177.849 176.117 0.520 0.000 1.088 1019 I CA 1.291 62.724 61.300 0.222 0.000 1.347 1019 I CB -0.246 37.827 38.000 0.121 0.000 1.041 1019 I HN 0.428 nan 8.210 nan 0.000 0.415 1020 F N -1.585 118.587 119.950 0.371 0.000 2.561 1020 F HA 0.197 4.725 4.527 0.001 0.000 0.312 1020 F C 1.444 177.415 175.800 0.284 0.000 1.105 1020 F CA -1.077 57.112 58.000 0.315 0.000 1.092 1020 F CB 0.098 39.249 39.000 0.252 0.000 1.893 1020 F HN -0.025 nan 8.300 nan 0.000 0.555 1021 F N 0.668 120.694 119.950 0.126 0.000 3.489 1021 F HA -0.356 4.172 4.527 0.001 0.000 0.313 1021 F C 0.849 176.791 175.800 0.236 0.000 1.516 1021 F CA 0.916 58.969 58.000 0.088 0.000 1.355 1021 F CB -1.820 37.185 39.000 0.009 0.000 0.719 1021 F HN -0.036 nan 8.300 nan 0.000 0.672 1022 V N 3.020 123.162 119.914 0.379 0.000 3.014 1022 V HA -0.205 3.916 4.120 0.001 0.000 0.277 1022 V C -1.201 175.020 176.094 0.211 0.000 1.455 1022 V CA -0.213 62.177 62.300 0.149 0.000 1.467 1022 V CB -0.210 31.733 31.823 0.200 0.000 0.913 1022 V HN 0.406 nan 8.190 nan 0.000 0.529 1023 P HA -0.240 nan 4.420 nan 0.000 0.291 1023 P C 0.833 178.310 177.300 0.296 0.000 1.864 1023 P CA 1.778 65.021 63.100 0.238 0.000 1.676 1023 P CB -0.091 31.602 31.700 -0.011 0.000 0.342 1024 V N -4.092 115.917 119.914 0.158 0.000 4.448 1024 V HA -0.270 3.850 4.120 0.001 0.000 0.248 1024 V C 0.919 177.031 176.094 0.029 0.000 0.492 1024 V CA 1.960 64.290 62.300 0.049 0.000 0.835 1024 V CB -2.854 28.974 31.823 0.010 0.000 0.834 1024 V HN 0.621 nan 8.190 nan 0.000 1.243 1025 F N -4.352 115.683 119.950 0.141 0.000 1.696 1025 F HA -0.019 4.508 4.527 0.001 0.000 0.389 1025 F C 1.373 177.191 175.800 0.029 0.000 1.058 1025 F CA 0.249 58.297 58.000 0.079 0.000 1.117 1025 F CB -0.374 38.665 39.000 0.065 0.000 1.648 1025 F HN 0.101 nan 8.300 nan 0.000 0.298 1026 F N 1.798 121.862 119.950 0.189 0.000 2.269 1026 F HA -0.159 4.368 4.527 0.001 0.000 0.301 1026 F C 2.238 178.068 175.800 0.050 0.000 1.082 1026 F CA 1.622 59.662 58.000 0.067 0.000 1.360 1026 F CB -0.803 38.209 39.000 0.020 0.000 1.041 1026 F HN -0.077 nan 8.300 nan 0.000 0.512 1027 V N -1.796 118.254 119.914 0.226 0.000 2.220 1027 V HA -0.289 3.831 4.120 0.001 0.000 0.242 1027 V C 2.181 178.340 176.094 0.109 0.000 1.041 1027 V CA 1.946 64.316 62.300 0.118 0.000 0.990 1027 V CB -1.668 30.199 31.823 0.073 0.000 0.634 1027 V HN 0.123 nan 8.190 nan 0.000 0.452 1028 V N 0.439 120.420 119.914 0.112 0.000 2.357 1028 V HA -0.298 3.823 4.120 0.001 0.000 0.257 1028 V C 2.617 178.780 176.094 0.115 0.000 1.082 1028 V CA 2.261 64.609 62.300 0.081 0.000 1.078 1028 V CB -1.318 30.577 31.823 0.120 0.000 0.663 1028 V HN 0.460 nan 8.190 nan 0.000 0.455 1029 V N 1.301 121.316 119.914 0.169 0.000 2.214 1029 V HA -0.286 3.835 4.120 0.001 0.000 0.247 1029 V C 2.240 178.453 176.094 0.199 0.000 1.051 1029 V CA 2.787 65.207 62.300 0.201 0.000 1.003 1029 V CB -0.731 31.122 31.823 0.049 0.000 0.635 1029 V HN 0.784 nan 8.190 nan 0.000 0.447 1030 R N -0.358 120.219 120.500 0.128 0.000 2.480 1030 R HA 0.244 4.585 4.340 0.001 0.000 0.277 1030 R C 1.463 177.792 176.300 0.049 0.000 1.008 1030 R CA 0.079 56.236 56.100 0.096 0.000 1.090 1030 R CB 0.061 30.413 30.300 0.086 0.000 1.234 1030 R HN 0.363 nan 8.270 nan 0.000 0.549 1031 R N -0.522 119.998 120.500 0.033 0.000 2.306 1031 R HA 0.223 4.563 4.340 0.001 0.000 0.183 1031 R C 1.616 177.883 176.300 -0.056 0.000 0.937 1031 R CA -0.411 55.683 56.100 -0.010 0.000 1.118 1031 R CB -0.338 29.982 30.300 0.033 0.000 1.224 1031 R HN 0.018 nan 8.270 nan 0.000 0.597 1032 R N 0.710 121.125 120.500 -0.143 0.000 2.092 1032 R HA 0.030 4.371 4.340 0.001 0.000 0.231 1032 R C 1.542 177.561 176.300 -0.468 0.000 1.119 1032 R CA 1.639 57.509 56.100 -0.384 0.000 0.970 1032 R CB -0.167 29.722 30.300 -0.685 0.000 0.864 1032 R HN 0.105 nan 8.270 nan 0.000 0.440 1033 F N -0.450 119.517 119.950 0.028 0.000 2.534 1033 F HA 0.078 4.605 4.527 0.001 0.000 0.274 1033 F C 2.308 178.113 175.800 0.009 0.000 0.917 1033 F CA 0.823 58.833 58.000 0.016 0.000 1.145 1033 F CB -1.191 37.813 39.000 0.007 0.000 1.145 1033 F HN -0.008 nan 8.300 nan 0.000 0.746 1034 S N 1.986 117.811 115.700 0.209 0.000 2.443 1034 S HA -0.423 4.047 4.470 0.001 0.000 0.501 1034 S C 1.779 176.429 174.600 0.083 0.000 1.004 1034 S CA 2.401 60.666 58.200 0.108 0.000 3.025 1034 S CB -1.228 62.007 63.200 0.058 0.000 2.164 1034 S HN 0.545 nan 8.310 nan 0.000 0.526 1035 R N 2.406 122.943 120.500 0.061 0.000 2.435 1035 R HA 0.487 4.827 4.340 0.001 0.000 0.221 1035 R C 0.360 176.690 176.300 0.051 0.000 0.885 1035 R CA 0.405 56.532 56.100 0.046 0.000 1.018 1035 R CB -0.011 30.304 30.300 0.024 0.000 1.259 1035 R HN 0.655 nan 8.270 nan 0.000 0.597 1036 K N 0.000 120.432 120.400 0.053 0.000 2.780 1036 K HA 0.000 4.321 4.320 0.001 0.000 0.191 1036 K CA 0.000 56.318 56.287 0.051 0.000 0.838 1036 K CB 0.000 32.519 32.500 0.031 0.000 1.064 1036 K HN 0.000 nan 8.250 nan 0.000 0.543