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 2hqd_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 DAAIVVVENV ERVMAEEGLP PKEATRKSMG QIQGALVGIA MVLSAVFVPM DATA SEQUENCE AFFGGSTGAI YRQFSITIVS AMALSVLVAL ILTPALCATM LKXXXXXXXX DATA SEQUENCE XXXXXXFGWF NRMFEKSTHH YTDSVGGILR STGRYLVLYL IIVVGMAYLF DATA SEQUENCE VRLPSSFLPD EDQGVFMTMV QLPAGATQER TQKVLNEVTH YYLTKEKNNV DATA SEQUENCE ESVFAVNGFG FAGRGQNTGI AFVSLKDWAD RPGEENKVEA ITMRATRAFS DATA SEQUENCE QIKDAMVFAF NLPAIVELGT ATGFDFELID QAGLGHEKLT QARNQLLAEA DATA SEQUENCE AKHPDMLTSV RPNGLEDTPQ FKIDIDQEKA QALGVSINDI NTTLGAAWGG DATA SEQUENCE SYVNDFIDRG RVKKVYVMSE AKYRMLPDDI GDWYVRAADG QMVPFSAFSS DATA SEQUENCE SRWEYGSPRL ERYNGLPSME ILGQAAPGKS TGEAMELMEQ LASKLPTGVG DATA SEQUENCE YDWTGMSYQE RLSGNQAPSL YAISLIVVFL CLAALYESWS IPFSVMLVVP DATA SEQUENCE LGVIGALLAA TFRGLTNDVY FQVGLLTTIG LSAKNAILIV EFAKDLMDKE DATA SEQUENCE GKGLIEATLD AVRMRLRPIL MTSLAFILGV MPLVISTGAG SGAQNAVGTG DATA SEQUENCE VMGGMVTATV LAIFFVPVFF VVVRRRFSRK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 D HA 0.000 nan 4.640 nan 0.000 0.175 7 D C 0.000 176.299 176.300 -0.001 0.000 2.045 7 D CA 0.000 53.990 54.000 -0.016 0.000 0.868 7 D CB 0.000 40.794 40.800 -0.010 0.000 0.688 8 R N 1.125 121.629 120.500 0.006 0.000 2.540 8 R HA 0.621 4.960 4.340 -0.001 0.000 0.287 8 R C -1.711 174.633 176.300 0.073 0.000 0.980 8 R CA -1.217 54.902 56.100 0.032 0.000 0.966 8 R CB 0.415 30.737 30.300 0.037 0.000 1.106 8 R HN 0.096 nan 8.270 nan 0.000 0.480 9 P HA 0.025 nan 4.420 nan 0.000 0.228 9 P C 0.859 178.251 177.300 0.155 0.000 1.166 9 P CA 0.371 63.517 63.100 0.077 0.000 0.812 9 P CB 0.277 31.974 31.700 -0.006 0.000 0.857 10 I N -0.906 119.764 120.570 0.167 0.000 2.614 10 I HA -0.149 4.021 4.170 -0.001 0.000 0.258 10 I C 1.886 178.140 176.117 0.228 0.000 1.189 10 I CA 0.902 62.330 61.300 0.214 0.000 1.462 10 I CB -0.798 37.302 38.000 0.167 0.000 1.092 10 I HN -0.159 nan 8.210 nan 0.000 0.442 11 F N 1.468 121.473 119.950 0.092 0.000 2.186 11 F HA -0.129 4.397 4.527 -0.001 0.000 0.299 11 F C 2.403 178.255 175.800 0.087 0.000 1.090 11 F CA 1.588 59.632 58.000 0.073 0.000 1.307 11 F CB -0.099 38.930 39.000 0.049 0.000 1.019 11 F HN 0.057 nan 8.300 nan 0.000 0.489 12 A N -1.182 121.831 122.820 0.323 0.000 1.929 12 A HA -0.200 4.119 4.320 -0.001 0.000 0.216 12 A C 1.689 179.411 177.584 0.230 0.000 1.176 12 A CA 0.954 53.139 52.037 0.247 0.000 0.628 12 A CB -1.528 17.602 19.000 0.216 0.000 0.816 12 A HN 0.594 nan 8.150 nan 0.000 0.444 13 W N -0.104 121.209 121.300 0.022 0.000 3.310 13 W HA 0.218 4.878 4.660 -0.001 0.000 0.259 13 W C 1.250 177.747 176.519 -0.037 0.000 1.324 13 W CA 0.519 57.862 57.345 -0.002 0.000 1.636 13 W CB 0.217 29.684 29.460 0.011 0.000 1.104 13 W HN 0.120 nan 8.180 nan 0.000 0.722 14 V N -0.380 119.538 119.914 0.007 0.000 3.219 14 V HA -0.081 4.039 4.120 -0.001 0.000 0.240 14 V C 1.896 177.888 176.094 -0.171 0.000 1.222 14 V CA 0.419 62.634 62.300 -0.142 0.000 1.181 14 V CB 0.066 31.771 31.823 -0.196 0.000 0.941 14 V HN -0.164 nan 8.190 nan 0.000 0.471 15 I N 1.224 121.709 120.570 -0.142 0.000 2.394 15 I HA -0.105 4.064 4.170 -0.001 0.000 0.251 15 I C 2.507 178.591 176.117 -0.055 0.000 1.136 15 I CA 1.824 63.068 61.300 -0.094 0.000 1.425 15 I CB -1.396 36.597 38.000 -0.012 0.000 1.079 15 I HN 0.318 nan 8.210 nan 0.000 0.425 16 A N 0.442 123.243 122.820 -0.033 0.000 2.167 16 A HA -0.015 4.304 4.320 -0.001 0.000 0.214 16 A C 2.160 179.668 177.584 -0.127 0.000 1.151 16 A CA 0.567 52.578 52.037 -0.042 0.000 0.735 16 A CB -0.310 18.714 19.000 0.041 0.000 0.802 16 A HN 0.207 nan 8.150 nan 0.000 0.467 17 I N 0.365 120.830 120.570 -0.173 0.000 2.406 17 I HA -0.031 4.139 4.170 -0.001 0.000 0.249 17 I C 1.288 177.324 176.117 -0.135 0.000 1.122 17 I CA 0.694 61.877 61.300 -0.195 0.000 1.431 17 I CB -0.883 36.983 38.000 -0.223 0.000 1.087 17 I HN 0.249 nan 8.210 nan 0.000 0.424 18 I N 0.371 120.873 120.570 -0.114 0.000 3.322 18 I HA 0.038 4.208 4.170 -0.001 0.000 0.296 18 I C 1.449 177.519 176.117 -0.079 0.000 1.101 18 I CA -0.402 60.846 61.300 -0.087 0.000 1.166 18 I CB 0.196 38.150 38.000 -0.076 0.000 1.475 18 I HN 0.025 nan 8.210 nan 0.000 0.665 19 I N -0.723 119.806 120.570 -0.069 0.000 5.935 19 I HA -0.336 3.834 4.170 -0.001 0.000 0.128 19 I C 0.780 176.832 176.117 -0.109 0.000 1.817 19 I CA 0.804 62.056 61.300 -0.080 0.000 2.060 19 I CB -1.217 36.745 38.000 -0.064 0.000 3.409 19 I HN 0.801 nan 8.210 nan 0.000 0.176 20 M N -1.127 118.414 119.600 -0.099 0.000 1.778 20 M HA 0.300 4.780 4.480 -0.001 0.000 0.200 20 M C 0.770 177.026 176.300 -0.072 0.000 1.294 20 M CA 0.897 56.137 55.300 -0.100 0.000 0.913 20 M CB 0.261 32.800 32.600 -0.102 0.000 1.645 20 M HN 0.046 nan 8.290 nan 0.000 0.598 21 L N 0.460 121.644 121.223 -0.064 0.000 2.554 21 L HA 0.442 4.781 4.340 -0.001 0.000 0.225 21 L C 1.972 178.826 176.870 -0.028 0.000 1.104 21 L CA 0.747 55.562 54.840 -0.042 0.000 0.866 21 L CB -0.370 41.659 42.059 -0.050 0.000 1.047 21 L HN 0.484 nan 8.230 nan 0.000 0.468 22 A N 0.107 122.904 122.820 -0.037 0.000 2.132 22 A HA 0.166 4.486 4.320 -0.001 0.000 0.213 22 A C 2.148 179.722 177.584 -0.016 0.000 1.154 22 A CA 1.127 53.151 52.037 -0.022 0.000 0.753 22 A CB -0.334 18.649 19.000 -0.027 0.000 0.826 22 A HN 0.361 nan 8.150 nan 0.000 0.469 23 G N -0.897 107.874 108.800 -0.048 0.000 2.608 23 G HA2 0.244 4.204 3.960 -0.001 0.000 0.210 23 G HA3 0.244 4.204 3.960 -0.001 0.000 0.210 23 G C 1.336 176.262 174.900 0.042 0.000 1.139 23 G CA 0.900 45.953 45.100 -0.077 0.000 0.812 23 G HN 0.564 nan 8.290 nan 0.000 0.529 24 G N 0.427 109.246 108.800 0.033 0.000 2.534 24 G HA2 -0.035 3.924 3.960 -0.001 0.000 0.217 24 G HA3 -0.035 3.924 3.960 -0.001 0.000 0.217 24 G C 1.453 176.399 174.900 0.075 0.000 1.128 24 G CA 0.211 45.361 45.100 0.083 0.000 0.784 24 G HN 0.311 nan 8.290 nan 0.000 0.542 25 L N 0.490 121.745 121.223 0.054 0.000 2.307 25 L HA 0.300 4.640 4.340 -0.001 0.000 0.211 25 L C 2.676 179.589 176.870 0.071 0.000 1.099 25 L CA 1.466 56.334 54.840 0.047 0.000 0.816 25 L CB -0.415 41.659 42.059 0.025 0.000 0.952 25 L HN 0.288 nan 8.230 nan 0.000 0.455 26 A N -0.864 122.021 122.820 0.109 0.000 2.081 26 A HA -0.053 4.266 4.320 -0.001 0.000 0.214 26 A C 1.959 179.650 177.584 0.178 0.000 1.158 26 A CA 0.326 52.448 52.037 0.142 0.000 0.724 26 A CB -0.224 18.874 19.000 0.164 0.000 0.826 26 A HN 0.303 nan 8.150 nan 0.000 0.463 27 I N -0.855 119.848 120.570 0.221 0.000 2.928 27 I HA 0.003 4.172 4.170 -0.001 0.000 0.266 27 I C 1.194 177.336 176.117 0.041 0.000 1.234 27 I CA 0.612 61.980 61.300 0.113 0.000 1.483 27 I CB -0.048 38.039 38.000 0.145 0.000 1.097 27 I HN 0.166 nan 8.210 nan 0.000 0.455 28 L N 0.642 121.899 121.223 0.056 0.000 2.737 28 L HA 0.007 4.347 4.340 -0.001 0.000 0.246 28 L C 1.495 178.379 176.870 0.023 0.000 1.153 28 L CA 0.799 55.657 54.840 0.030 0.000 0.920 28 L CB -0.946 41.131 42.059 0.030 0.000 1.090 28 L HN -0.015 nan 8.230 nan 0.000 0.430 29 K N 0.419 120.835 120.400 0.026 0.000 2.665 29 K HA 0.113 4.432 4.320 -0.001 0.000 0.214 29 K C 0.107 176.707 176.600 -0.001 0.000 1.032 29 K CA -0.247 56.051 56.287 0.019 0.000 1.198 29 K CB -0.490 32.029 32.500 0.032 0.000 0.941 29 K HN 0.138 nan 8.250 nan 0.000 0.491 30 L N 2.773 123.992 121.223 -0.008 0.000 2.462 30 L HA 0.133 4.472 4.340 -0.001 0.000 0.272 30 L C -2.174 174.688 176.870 -0.013 0.000 1.166 30 L CA -0.903 53.925 54.840 -0.020 0.000 0.880 30 L CB 0.175 42.221 42.059 -0.021 0.000 1.142 30 L HN 0.010 nan 8.230 nan 0.000 0.473 31 P HA 0.345 nan 4.420 nan 0.000 0.285 31 P C -1.386 175.898 177.300 -0.027 0.000 1.269 31 P CA -0.521 62.562 63.100 -0.028 0.000 0.844 31 P CB 1.544 33.228 31.700 -0.027 0.000 1.094 32 V N 1.262 121.150 119.914 -0.043 0.000 2.439 32 V HA 0.510 4.629 4.120 -0.001 0.000 0.282 32 V C 0.852 176.920 176.094 -0.042 0.000 1.039 32 V CA -0.856 61.419 62.300 -0.041 0.000 0.913 32 V CB 0.710 32.495 31.823 -0.063 0.000 0.983 32 V HN 0.843 nan 8.190 nan 0.000 0.460 33 A N 4.108 126.913 122.820 -0.026 0.000 2.448 33 A HA 0.274 4.594 4.320 -0.001 0.000 0.239 33 A C 1.201 178.743 177.584 -0.070 0.000 1.080 33 A CA 0.248 52.265 52.037 -0.033 0.000 0.779 33 A CB 0.260 19.259 19.000 -0.002 0.000 1.026 33 A HN 0.999 nan 8.150 nan 0.000 0.499 34 Q N 0.865 120.580 119.800 -0.141 0.000 1.922 34 Q HA -0.069 4.271 4.340 -0.001 0.000 0.201 34 Q C 0.155 176.020 176.000 -0.225 0.000 0.979 34 Q CA 0.984 56.623 55.803 -0.273 0.000 0.841 34 Q CB -0.490 27.938 28.738 -0.517 0.000 0.903 34 Q HN 0.749 nan 8.270 nan 0.000 0.431 35 Y N 1.829 122.158 120.300 0.049 0.000 2.230 35 Y HA 0.217 4.767 4.550 -0.001 0.000 0.354 35 Y C -1.749 174.148 175.900 -0.004 0.000 1.343 35 Y CA -1.931 56.178 58.100 0.015 0.000 1.693 35 Y CB -0.362 38.109 38.460 0.018 0.000 1.553 35 Y HN 0.187 nan 8.280 nan 0.000 0.599 36 P HA -0.218 nan 4.420 nan 0.000 0.189 36 P C -0.513 176.830 177.300 0.072 0.000 0.988 36 P CA 0.549 63.695 63.100 0.078 0.000 0.823 36 P CB -0.340 31.375 31.700 0.024 0.000 0.805 37 T N 4.178 118.763 114.554 0.050 0.000 3.859 37 T HA 0.166 4.516 4.350 -0.001 0.000 0.251 37 T C 1.701 176.404 174.700 0.005 0.000 1.079 37 T CA -0.469 61.654 62.100 0.039 0.000 1.151 37 T CB -0.815 68.082 68.868 0.047 0.000 1.173 37 T HN 0.298 nan 8.240 nan 0.000 0.885 38 I N 1.453 122.003 120.570 -0.033 0.000 2.928 38 I HA 0.315 4.484 4.170 -0.001 0.000 0.266 38 I C 0.988 177.098 176.117 -0.011 0.000 1.234 38 I CA 0.109 61.379 61.300 -0.049 0.000 1.483 38 I CB -1.758 36.178 38.000 -0.107 0.000 1.097 38 I HN 0.490 nan 8.210 nan 0.000 0.455 39 A N 4.618 127.435 122.820 -0.004 0.000 2.454 39 A HA 0.450 4.770 4.320 -0.001 0.000 0.260 39 A C -2.200 175.411 177.584 0.044 0.000 1.106 39 A CA -1.089 50.958 52.037 0.017 0.000 0.780 39 A CB -0.853 18.154 19.000 0.011 0.000 1.044 39 A HN 0.227 nan 8.150 nan 0.000 0.498 40 P HA 0.122 nan 4.420 nan 0.000 0.260 40 P C -2.574 174.767 177.300 0.068 0.000 1.207 40 P CA -0.772 62.368 63.100 0.067 0.000 0.780 40 P CB -0.127 31.612 31.700 0.064 0.000 0.789 41 P HA 0.129 nan 4.420 nan 0.000 0.268 41 P C -0.649 176.752 177.300 0.169 0.000 1.204 41 P CA 0.121 63.281 63.100 0.099 0.000 0.768 41 P CB 0.726 32.465 31.700 0.065 0.000 0.842 42 A N 3.455 126.349 122.820 0.123 0.000 2.331 42 A HA 0.578 4.898 4.320 -0.001 0.000 0.320 42 A C -0.720 176.944 177.584 0.133 0.000 1.138 42 A CA -0.664 51.451 52.037 0.130 0.000 0.790 42 A CB 1.224 20.265 19.000 0.068 0.000 1.206 42 A HN 0.322 nan 8.150 nan 0.000 0.470 43 V N 2.540 122.569 119.914 0.190 0.000 2.409 43 V HA 0.512 4.632 4.120 -0.001 0.000 0.291 43 V C 0.043 176.197 176.094 0.099 0.000 1.020 43 V CA -0.342 62.045 62.300 0.144 0.000 0.848 43 V CB 1.582 33.525 31.823 0.199 0.000 0.990 43 V HN 0.936 nan 8.190 nan 0.000 0.430 44 T N 6.083 120.673 114.554 0.061 0.000 2.859 44 T HA 0.717 5.066 4.350 -0.001 0.000 0.281 44 T C -0.268 174.452 174.700 0.033 0.000 1.005 44 T CA -0.209 61.916 62.100 0.042 0.000 1.025 44 T CB 1.316 70.205 68.868 0.034 0.000 0.977 44 T HN 0.435 nan 8.240 nan 0.000 0.458 45 I N 2.140 122.725 120.570 0.026 0.000 2.390 45 I HA 0.347 4.517 4.170 -0.001 0.000 0.283 45 I C -0.004 176.121 176.117 0.013 0.000 1.016 45 I CA -0.497 60.814 61.300 0.018 0.000 1.151 45 I CB 1.372 39.381 38.000 0.015 0.000 1.293 45 I HN 0.449 nan 8.210 nan 0.000 0.458 46 S N 5.117 120.823 115.700 0.011 0.000 2.498 46 S HA 0.779 5.249 4.470 -0.001 0.000 0.324 46 S C -0.072 174.532 174.600 0.007 0.000 1.071 46 S CA -0.603 57.603 58.200 0.009 0.000 1.113 46 S CB 1.415 64.620 63.200 0.007 0.000 0.976 46 S HN 0.714 nan 8.310 nan 0.000 0.462 47 A N 2.332 125.158 122.820 0.010 0.000 2.356 47 A HA 0.878 5.198 4.320 -0.001 0.000 0.323 47 A C -0.221 177.380 177.584 0.028 0.000 1.119 47 A CA -0.799 51.243 52.037 0.008 0.000 0.790 47 A CB 1.568 20.568 19.000 -0.000 0.000 1.273 47 A HN 0.592 nan 8.150 nan 0.000 0.452 48 S N 0.675 116.395 115.700 0.033 0.000 2.779 48 S HA 0.441 4.911 4.470 -0.001 0.000 0.293 48 S C -1.537 173.137 174.600 0.123 0.000 1.150 48 S CA -0.288 57.957 58.200 0.074 0.000 1.057 48 S CB 0.313 63.550 63.200 0.063 0.000 1.021 48 S HN 0.610 nan 8.310 nan 0.000 0.485 49 Y N 7.074 127.387 120.300 0.023 0.000 2.477 49 Y HA 0.363 4.913 4.550 -0.001 0.000 0.349 49 Y C -2.038 173.892 175.900 0.050 0.000 0.977 49 Y CA -2.717 55.401 58.100 0.031 0.000 1.214 49 Y CB 0.960 39.433 38.460 0.023 0.000 1.124 49 Y HN 0.476 nan 8.280 nan 0.000 0.521 50 P HA 0.027 nan 4.420 nan 0.000 0.266 50 P C 0.564 177.963 177.300 0.164 0.000 1.215 50 P CA 1.134 64.384 63.100 0.251 0.000 0.763 50 P CB 0.861 32.748 31.700 0.312 0.000 0.806 51 G N 2.353 111.206 108.800 0.087 0.000 2.153 51 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.252 51 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.252 51 G C 0.355 175.226 174.900 -0.050 0.000 0.994 51 G CA 0.109 45.234 45.100 0.040 0.000 0.698 51 G HN 0.888 nan 8.290 nan 0.000 0.521 52 A N -0.015 122.730 122.820 -0.125 0.000 2.293 52 A HA 0.670 4.989 4.320 -0.001 0.000 0.302 52 A C 0.511 178.011 177.584 -0.141 0.000 1.119 52 A CA 0.338 52.206 52.037 -0.280 0.000 0.823 52 A CB 0.508 19.130 19.000 -0.631 0.000 1.097 52 A HN 0.901 nan 8.150 nan 0.000 0.491 53 D N 0.589 120.905 120.400 -0.140 0.000 2.414 53 D HA 0.449 5.088 4.640 -0.001 0.000 0.251 53 D C 1.054 177.322 176.300 -0.053 0.000 1.252 53 D CA 0.103 54.057 54.000 -0.076 0.000 0.999 53 D CB 0.704 41.461 40.800 -0.072 0.000 1.093 53 D HN 0.411 nan 8.370 nan 0.000 0.515 54 A N -0.385 122.416 122.820 -0.032 0.000 1.897 54 A HA -0.115 4.204 4.320 -0.001 0.000 0.215 54 A C 2.045 179.616 177.584 -0.022 0.000 1.181 54 A CA 1.389 53.414 52.037 -0.019 0.000 0.620 54 A CB -0.806 18.184 19.000 -0.017 0.000 0.821 54 A HN 0.616 nan 8.150 nan 0.000 0.443 55 K N -1.186 119.191 120.400 -0.038 0.000 2.217 55 K HA -0.073 4.246 4.320 -0.001 0.000 0.202 55 K C 2.082 178.671 176.600 -0.019 0.000 1.051 55 K CA 1.392 57.658 56.287 -0.035 0.000 0.952 55 K CB -0.167 32.302 32.500 -0.051 0.000 0.736 55 K HN 0.452 nan 8.250 nan 0.000 0.453 56 T N -0.096 114.440 114.554 -0.031 0.000 2.732 56 T HA -0.095 4.255 4.350 -0.001 0.000 0.261 56 T C 1.775 176.496 174.700 0.035 0.000 1.040 56 T CA 1.581 63.668 62.100 -0.021 0.000 1.145 56 T CB -0.139 68.672 68.868 -0.096 0.000 0.866 56 T HN 0.168 nan 8.240 nan 0.000 0.427 57 V N 0.909 120.846 119.914 0.038 0.000 2.594 57 V HA -0.110 4.009 4.120 -0.001 0.000 0.253 57 V C 2.445 178.583 176.094 0.075 0.000 1.069 57 V CA 2.189 64.554 62.300 0.108 0.000 1.082 57 V CB -1.359 30.526 31.823 0.102 0.000 0.680 57 V HN 0.487 nan 8.190 nan 0.000 0.469 58 Q N 1.285 121.110 119.800 0.043 0.000 2.096 58 Q HA -0.213 4.127 4.340 -0.001 0.000 0.204 58 Q C 1.758 177.780 176.000 0.037 0.000 0.982 58 Q CA 2.687 58.511 55.803 0.035 0.000 0.850 58 Q CB -0.377 28.373 28.738 0.021 0.000 0.901 58 Q HN 0.742 nan 8.270 nan 0.000 0.422 59 D N -1.400 119.024 120.400 0.040 0.000 2.369 59 D HA -0.025 4.614 4.640 -0.001 0.000 0.231 59 D C 1.509 177.838 176.300 0.047 0.000 0.967 59 D CA 1.549 55.571 54.000 0.037 0.000 0.905 59 D CB -0.537 40.280 40.800 0.029 0.000 1.044 59 D HN 0.300 nan 8.370 nan 0.000 0.487 60 T N -0.037 114.562 114.554 0.075 0.000 3.055 60 T HA 0.028 4.378 4.350 -0.001 0.000 0.265 60 T C 1.617 176.359 174.700 0.070 0.000 1.111 60 T CA 0.724 62.877 62.100 0.089 0.000 1.118 60 T CB 0.159 69.123 68.868 0.160 0.000 0.909 60 T HN -0.103 nan 8.240 nan 0.000 0.501 61 V N -0.352 119.609 119.914 0.078 0.000 3.054 61 V HA 0.103 4.222 4.120 -0.001 0.000 0.227 61 V C 2.671 178.784 176.094 0.031 0.000 1.252 61 V CA 0.962 63.290 62.300 0.047 0.000 1.279 61 V CB -0.562 31.305 31.823 0.074 0.000 1.118 61 V HN 0.286 nan 8.190 nan 0.000 0.504 62 T N 0.181 114.759 114.554 0.040 0.000 2.643 62 T HA -0.245 4.105 4.350 -0.001 0.000 0.264 62 T C 1.893 176.603 174.700 0.018 0.000 1.045 62 T CA 1.932 64.049 62.100 0.028 0.000 1.155 62 T CB -0.284 68.603 68.868 0.032 0.000 0.863 62 T HN 0.387 nan 8.240 nan 0.000 0.420 63 Q N 0.272 120.084 119.800 0.020 0.000 2.170 63 Q HA -0.063 4.276 4.340 -0.001 0.000 0.203 63 Q C 2.552 178.557 176.000 0.008 0.000 0.976 63 Q CA 0.911 56.722 55.803 0.014 0.000 0.858 63 Q CB -0.351 28.398 28.738 0.017 0.000 0.907 63 Q HN 0.363 nan 8.270 nan 0.000 0.433 64 V N 0.994 120.913 119.914 0.009 0.000 2.343 64 V HA -0.255 3.864 4.120 -0.001 0.000 0.247 64 V C 2.117 178.210 176.094 -0.002 0.000 1.051 64 V CA 1.259 63.560 62.300 0.002 0.000 1.036 64 V CB -0.445 31.378 31.823 -0.000 0.000 0.654 64 V HN 0.358 nan 8.190 nan 0.000 0.451 65 I N 0.258 120.827 120.570 -0.002 0.000 2.286 65 I HA -0.150 4.020 4.170 -0.001 0.000 0.245 65 I C 2.474 178.586 176.117 -0.008 0.000 1.104 65 I CA 1.419 62.716 61.300 -0.005 0.000 1.397 65 I CB -1.361 36.637 38.000 -0.003 0.000 1.072 65 I HN 0.437 nan 8.210 nan 0.000 0.417 66 E N 0.477 120.672 120.200 -0.009 0.000 2.106 66 E HA -0.258 4.092 4.350 -0.001 0.000 0.192 66 E C 2.086 178.676 176.600 -0.016 0.000 0.984 66 E CA 0.820 57.209 56.400 -0.017 0.000 0.806 66 E CB -0.153 29.537 29.700 -0.017 0.000 0.750 66 E HN 0.365 nan 8.360 nan 0.000 0.458 67 Q N 0.686 120.480 119.800 -0.009 0.000 2.364 67 Q HA -0.079 4.260 4.340 -0.001 0.000 0.207 67 Q C 1.104 177.099 176.000 -0.008 0.000 0.970 67 Q CA 1.040 56.838 55.803 -0.008 0.000 0.888 67 Q CB 0.055 28.791 28.738 -0.003 0.000 0.951 67 Q HN 0.128 nan 8.270 nan 0.000 0.469 68 N N -1.625 117.070 118.700 -0.008 0.000 2.205 68 N HA 0.102 4.841 4.740 -0.001 0.000 0.201 68 N C -0.647 174.859 175.510 -0.007 0.000 1.128 68 N CA -0.153 52.893 53.050 -0.007 0.000 0.867 68 N CB 0.406 38.889 38.487 -0.006 0.000 0.996 68 N HN 0.088 nan 8.380 nan 0.000 0.503 69 M N 1.804 121.397 119.600 -0.012 0.000 2.775 69 M HA 0.210 4.689 4.480 -0.001 0.000 0.313 69 M C -1.179 175.113 176.300 -0.015 0.000 1.429 69 M CA 0.240 55.532 55.300 -0.014 0.000 1.494 69 M CB -0.788 31.795 32.600 -0.027 0.000 1.274 69 M HN 0.036 nan 8.290 nan 0.000 0.491 70 N N 0.539 119.236 118.700 -0.005 0.000 2.397 70 N HA 0.621 5.361 4.740 -0.001 0.000 0.291 70 N C 0.447 175.960 175.510 0.005 0.000 1.065 70 N CA -0.081 52.967 53.050 -0.004 0.000 0.884 70 N CB 1.941 40.425 38.487 -0.004 0.000 1.551 70 N HN 0.694 nan 8.380 nan 0.000 0.487 71 G N 1.017 109.821 108.800 0.007 0.000 2.131 71 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.223 71 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.223 71 G C -0.213 174.706 174.900 0.031 0.000 0.990 71 G CA -0.446 44.663 45.100 0.015 0.000 0.671 71 G HN 0.524 nan 8.290 nan 0.000 0.521 72 I N 1.676 122.271 120.570 0.042 0.000 2.517 72 I HA 0.189 4.359 4.170 -0.001 0.000 0.285 72 I C 0.424 176.610 176.117 0.115 0.000 1.106 72 I CA -0.573 60.783 61.300 0.093 0.000 1.402 72 I CB 0.428 38.495 38.000 0.111 0.000 1.399 72 I HN -0.011 nan 8.210 nan 0.000 0.535 73 D N 6.611 127.089 120.400 0.131 0.000 2.423 73 D HA 0.017 4.656 4.640 -0.001 0.000 0.238 73 D C 0.843 177.263 176.300 0.200 0.000 1.142 73 D CA 0.457 54.526 54.000 0.115 0.000 0.884 73 D CB 0.606 41.445 40.800 0.065 0.000 1.199 73 D HN 0.651 nan 8.370 nan 0.000 0.438 74 N N 0.141 118.921 118.700 0.134 0.000 1.911 74 N HA -0.304 4.436 4.740 -0.001 0.000 0.160 74 N C 0.429 175.992 175.510 0.089 0.000 0.585 74 N CA 1.581 54.718 53.050 0.145 0.000 1.293 74 N CB -0.811 37.804 38.487 0.213 0.000 1.355 74 N HN 0.700 nan 8.380 nan 0.000 0.425 75 L N -0.231 121.043 121.223 0.085 0.000 0.591 75 L HA -0.257 4.082 4.340 -0.001 0.000 0.356 75 L C 0.754 177.469 176.870 -0.259 0.000 1.004 75 L CA 0.829 55.453 54.840 -0.360 0.000 1.223 75 L CB -0.090 41.769 42.059 -0.334 0.000 0.054 75 L HN 0.656 nan 8.230 nan 0.000 0.096 76 M N 2.994 122.345 119.600 -0.416 0.000 3.058 76 M HA 0.260 4.739 4.480 -0.001 0.000 0.242 76 M C -0.384 175.811 176.300 -0.174 0.000 1.512 76 M CA 0.928 56.057 55.300 -0.285 0.000 1.274 76 M CB 0.331 32.670 32.600 -0.434 0.000 1.179 76 M HN 0.684 nan 8.290 nan 0.000 0.573 77 Y N -0.119 120.064 120.300 -0.195 0.000 2.764 77 Y HA 0.705 5.254 4.550 -0.001 0.000 0.331 77 Y C -1.346 174.366 175.900 -0.314 0.000 1.280 77 Y CA -2.476 55.471 58.100 -0.256 0.000 1.065 77 Y CB 0.729 39.065 38.460 -0.206 0.000 1.319 77 Y HN 0.174 nan 8.280 nan 0.000 0.453 78 M N 1.043 120.553 119.600 -0.150 0.000 2.322 78 M HA 0.816 5.296 4.480 -0.001 0.000 0.286 78 M C -1.359 174.824 176.300 -0.196 0.000 1.111 78 M CA -0.640 54.571 55.300 -0.148 0.000 0.941 78 M CB 2.332 34.835 32.600 -0.162 0.000 1.671 78 M HN 0.795 nan 8.290 nan 0.000 0.470 79 S N 1.338 117.007 115.700 -0.051 0.000 2.648 79 S HA 0.961 5.430 4.470 -0.001 0.000 0.305 79 S C -0.589 174.017 174.600 0.010 0.000 1.094 79 S CA -0.684 57.512 58.200 -0.006 0.000 0.983 79 S CB 1.835 65.085 63.200 0.084 0.000 1.101 79 S HN 0.812 nan 8.310 nan 0.000 0.514 80 S N 0.942 116.659 115.700 0.029 0.000 2.638 80 S HA 0.634 5.103 4.470 -0.001 0.000 0.302 80 S C -0.660 173.964 174.600 0.040 0.000 1.096 80 S CA -0.949 57.268 58.200 0.028 0.000 0.953 80 S CB 1.062 64.277 63.200 0.025 0.000 1.107 80 S HN 0.758 nan 8.310 nan 0.000 0.503 81 N N 1.298 120.019 118.700 0.035 0.000 2.595 81 N HA 0.081 4.821 4.740 -0.001 0.000 0.291 81 N C -0.816 174.713 175.510 0.032 0.000 1.706 81 N CA -0.115 52.957 53.050 0.036 0.000 0.867 81 N CB 0.920 39.428 38.487 0.034 0.000 1.414 81 N HN 0.656 nan 8.380 nan 0.000 0.492 82 S N 0.056 115.777 115.700 0.035 0.000 2.611 82 S HA 0.098 4.568 4.470 -0.001 0.000 0.317 82 S C 0.108 174.725 174.600 0.029 0.000 1.208 82 S CA -0.108 58.112 58.200 0.033 0.000 1.217 82 S CB 0.658 63.879 63.200 0.034 0.000 1.085 82 S HN 0.052 nan 8.310 nan 0.000 0.529 83 D N 2.147 122.562 120.400 0.026 0.000 2.387 83 D HA 0.249 4.889 4.640 -0.001 0.000 0.255 83 D C 1.052 177.361 176.300 0.015 0.000 1.081 83 D CA -0.554 53.458 54.000 0.020 0.000 0.994 83 D CB 1.794 42.602 40.800 0.014 0.000 1.127 83 D HN 0.533 nan 8.370 nan 0.000 0.513 84 S N -0.584 115.124 115.700 0.014 0.000 2.428 84 S HA -0.120 4.350 4.470 -0.001 0.000 0.230 84 S C 1.688 176.295 174.600 0.011 0.000 1.014 84 S CA 1.619 59.825 58.200 0.010 0.000 0.957 84 S CB -0.144 63.067 63.200 0.018 0.000 0.784 84 S HN 0.602 nan 8.310 nan 0.000 0.499 85 T N -1.261 113.302 114.554 0.016 0.000 3.155 85 T HA 0.233 4.583 4.350 -0.001 0.000 0.264 85 T C 1.377 176.094 174.700 0.027 0.000 1.160 85 T CA 0.875 62.986 62.100 0.020 0.000 1.075 85 T CB -0.709 68.166 68.868 0.013 0.000 0.921 85 T HN 0.910 nan 8.240 nan 0.000 0.533 86 G N 1.449 110.265 108.800 0.026 0.000 2.248 86 G HA2 -0.119 3.840 3.960 -0.001 0.000 0.252 86 G HA3 -0.119 3.840 3.960 -0.001 0.000 0.252 86 G C 0.007 174.956 174.900 0.081 0.000 1.085 86 G CA 0.009 45.139 45.100 0.050 0.000 0.845 86 G HN 1.254 nan 8.290 nan 0.000 0.494 87 T N -3.444 111.142 114.554 0.054 0.000 2.909 87 T HA 0.812 5.161 4.350 -0.001 0.000 0.299 87 T C -0.686 174.037 174.700 0.038 0.000 1.073 87 T CA -0.429 61.699 62.100 0.045 0.000 0.999 87 T CB 3.089 71.968 68.868 0.019 0.000 1.098 87 T HN 1.610 nan 8.240 nan 0.000 0.477 88 V N 2.320 122.255 119.914 0.035 0.000 2.932 88 V HA 0.709 4.828 4.120 -0.001 0.000 0.307 88 V C -2.073 174.034 176.094 0.021 0.000 1.147 88 V CA -0.723 61.595 62.300 0.029 0.000 0.951 88 V CB 2.178 34.023 31.823 0.036 0.000 1.031 88 V HN 1.207 nan 8.190 nan 0.000 0.426 89 Q N 5.700 125.512 119.800 0.020 0.000 2.274 89 Q HA 0.709 5.049 4.340 -0.001 0.000 0.268 89 Q C -1.614 174.398 176.000 0.020 0.000 1.015 89 Q CA -0.727 55.087 55.803 0.018 0.000 0.775 89 Q CB 2.388 31.136 28.738 0.017 0.000 1.256 89 Q HN 0.598 nan 8.270 nan 0.000 0.442 90 I N 2.203 122.782 120.570 0.016 0.000 2.312 90 I HA 0.261 4.431 4.170 -0.001 0.000 0.290 90 I C -0.314 175.810 176.117 0.012 0.000 1.008 90 I CA -0.151 61.155 61.300 0.009 0.000 1.226 90 I CB 1.888 39.886 38.000 -0.003 0.000 1.371 90 I HN 0.602 nan 8.210 nan 0.000 0.468 91 T N 7.440 122.003 114.554 0.015 0.000 2.781 91 T HA 0.485 4.834 4.350 -0.001 0.000 0.305 91 T C 0.003 174.690 174.700 -0.022 0.000 1.001 91 T CA -0.415 61.698 62.100 0.021 0.000 0.950 91 T CB 0.069 68.966 68.868 0.048 0.000 0.955 91 T HN 0.245 nan 8.240 nan 0.000 0.471 92 L N 4.092 125.289 121.223 -0.044 0.000 2.261 92 L HA 0.313 4.652 4.340 -0.001 0.000 0.289 92 L C 0.621 177.318 176.870 -0.288 0.000 1.059 92 L CA -0.360 54.358 54.840 -0.204 0.000 0.816 92 L CB 0.494 42.447 42.059 -0.177 0.000 1.191 92 L HN 0.588 nan 8.230 nan 0.000 0.431 93 T N 3.045 117.310 114.554 -0.483 0.000 2.837 93 T HA 0.566 4.915 4.350 -0.001 0.000 0.285 93 T C -0.318 174.000 174.700 -0.637 0.000 0.984 93 T CA -0.237 61.596 62.100 -0.444 0.000 1.049 93 T CB 0.826 69.341 68.868 -0.589 0.000 0.947 93 T HN 0.057 nan 8.240 nan 0.000 0.472 94 F N 0.352 120.193 119.950 -0.182 0.000 2.631 94 F HA 0.537 5.063 4.527 -0.001 0.000 0.350 94 F C 0.724 176.473 175.800 -0.085 0.000 1.080 94 F CA -1.520 56.407 58.000 -0.123 0.000 1.026 94 F CB 0.849 39.807 39.000 -0.071 0.000 1.347 94 F HN 0.329 nan 8.300 nan 0.000 0.501 95 E N -0.030 120.271 120.200 0.169 0.000 2.384 95 E HA 0.100 4.450 4.350 -0.001 0.000 0.266 95 E C -0.288 176.377 176.600 0.107 0.000 1.012 95 E CA 0.013 56.475 56.400 0.105 0.000 0.901 95 E CB 0.716 30.471 29.700 0.093 0.000 0.967 95 E HN 0.388 nan 8.360 nan 0.000 0.435 96 S N 2.726 118.485 115.700 0.098 0.000 2.671 96 S HA 0.309 4.779 4.470 -0.001 0.000 0.331 96 S C 0.831 175.491 174.600 0.101 0.000 1.182 96 S CA 0.812 59.071 58.200 0.097 0.000 1.276 96 S CB -1.035 62.228 63.200 0.105 0.000 1.360 96 S HN 0.713 nan 8.310 nan 0.000 0.563 97 G N 2.832 111.680 108.800 0.080 0.000 2.370 97 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.174 97 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.174 97 G C 0.130 175.056 174.900 0.044 0.000 1.002 97 G CA -0.097 45.047 45.100 0.073 0.000 0.730 97 G HN 1.019 nan 8.290 nan 0.000 0.497 98 T N -0.502 114.072 114.554 0.034 0.000 2.918 98 T HA 0.440 4.789 4.350 -0.001 0.000 0.302 98 T C 0.003 174.669 174.700 -0.056 0.000 1.045 98 T CA 0.263 62.358 62.100 -0.010 0.000 1.114 98 T CB 1.948 70.807 68.868 -0.014 0.000 0.965 98 T HN 0.137 nan 8.240 nan 0.000 0.540 99 D N 1.247 121.600 120.400 -0.077 0.000 2.389 99 D HA 0.300 4.939 4.640 -0.001 0.000 0.263 99 D C 1.149 177.359 176.300 -0.151 0.000 1.255 99 D CA 0.099 54.047 54.000 -0.087 0.000 0.914 99 D CB 0.261 41.017 40.800 -0.072 0.000 1.116 99 D HN 0.693 nan 8.370 nan 0.000 0.502 100 A N 3.984 126.733 122.820 -0.119 0.000 2.172 100 A HA -0.122 4.197 4.320 -0.001 0.000 0.216 100 A C 1.717 179.223 177.584 -0.130 0.000 1.154 100 A CA 0.825 52.778 52.037 -0.141 0.000 0.701 100 A CB -0.001 18.956 19.000 -0.071 0.000 0.789 100 A HN 0.624 nan 8.150 nan 0.000 0.465 101 D N -0.894 119.444 120.400 -0.103 0.000 2.240 101 D HA 0.004 4.643 4.640 -0.001 0.000 0.206 101 D C 1.539 177.779 176.300 -0.099 0.000 0.963 101 D CA 0.687 54.638 54.000 -0.082 0.000 0.863 101 D CB 0.130 40.898 40.800 -0.053 0.000 0.973 101 D HN 0.439 nan 8.370 nan 0.000 0.501 102 I N 0.881 121.376 120.570 -0.126 0.000 2.703 102 I HA -0.002 4.167 4.170 -0.001 0.000 0.259 102 I C 2.055 178.053 176.117 -0.198 0.000 1.151 102 I CA 0.470 61.694 61.300 -0.127 0.000 1.470 102 I CB 0.093 38.033 38.000 -0.098 0.000 1.112 102 I HN -0.176 nan 8.210 nan 0.000 0.437 103 A N -0.449 122.158 122.820 -0.356 0.000 2.168 103 A HA -0.185 4.134 4.320 -0.001 0.000 0.215 103 A C 2.146 179.507 177.584 -0.372 0.000 1.152 103 A CA 1.429 53.063 52.037 -0.670 0.000 0.716 103 A CB -0.523 17.616 19.000 -1.435 0.000 0.794 103 A HN 0.534 nan 8.150 nan 0.000 0.465 104 Q N 0.216 119.891 119.800 -0.209 0.000 2.083 104 Q HA -0.099 4.241 4.340 -0.001 0.000 0.198 104 Q C 1.786 177.756 176.000 -0.050 0.000 0.969 104 Q CA 2.351 58.098 55.803 -0.093 0.000 0.838 104 Q CB -0.352 28.343 28.738 -0.072 0.000 0.900 104 Q HN 0.588 nan 8.270 nan 0.000 0.436 105 V N -1.962 117.917 119.914 -0.057 0.000 3.052 105 V HA -0.002 4.117 4.120 -0.001 0.000 0.254 105 V C 1.943 178.029 176.094 -0.014 0.000 1.100 105 V CA 0.787 63.068 62.300 -0.030 0.000 1.112 105 V CB -0.425 31.379 31.823 -0.032 0.000 0.738 105 V HN 0.200 nan 8.190 nan 0.000 0.469 106 Q N 1.020 120.811 119.800 -0.015 0.000 2.084 106 Q HA -0.090 4.249 4.340 -0.001 0.000 0.202 106 Q C 2.537 178.564 176.000 0.044 0.000 0.978 106 Q CA 2.005 57.820 55.803 0.019 0.000 0.844 106 Q CB -0.595 28.168 28.738 0.041 0.000 0.898 106 Q HN 0.646 nan 8.270 nan 0.000 0.426 107 V N 1.409 121.362 119.914 0.065 0.000 2.295 107 V HA -0.240 3.880 4.120 -0.001 0.000 0.246 107 V C 2.491 178.606 176.094 0.035 0.000 1.049 107 V CA 1.633 63.977 62.300 0.073 0.000 1.024 107 V CB -0.557 31.329 31.823 0.105 0.000 0.648 107 V HN 0.334 nan 8.190 nan 0.000 0.447 108 Q N 0.192 120.005 119.800 0.020 0.000 2.124 108 Q HA -0.138 4.202 4.340 -0.001 0.000 0.202 108 Q C 1.634 177.636 176.000 0.005 0.000 0.977 108 Q CA 1.134 56.942 55.803 0.008 0.000 0.850 108 Q CB -0.321 28.417 28.738 0.001 0.000 0.901 108 Q HN 0.623 nan 8.270 nan 0.000 0.429 109 N N 0.504 119.207 118.700 0.006 0.000 2.362 109 N HA -0.015 4.724 4.740 -0.001 0.000 0.211 109 N C 0.583 176.096 175.510 0.006 0.000 1.170 109 N CA 0.306 53.358 53.050 0.003 0.000 0.828 109 N CB 0.460 38.948 38.487 0.001 0.000 1.034 109 N HN 0.112 nan 8.380 nan 0.000 0.475 110 K N -0.336 120.069 120.400 0.009 0.000 2.474 110 K HA 0.156 4.475 4.320 -0.001 0.000 0.204 110 K C 1.587 178.188 176.600 0.002 0.000 1.220 110 K CA -0.147 56.144 56.287 0.007 0.000 0.966 110 K CB 0.062 32.570 32.500 0.012 0.000 1.049 110 K HN 0.029 nan 8.250 nan 0.000 0.554 111 L N 1.952 123.176 121.223 0.002 0.000 2.156 111 L HA -0.043 4.297 4.340 -0.001 0.000 0.208 111 L C 1.741 178.606 176.870 -0.008 0.000 1.095 111 L CA 1.652 56.491 54.840 -0.003 0.000 0.770 111 L CB -0.071 41.987 42.059 -0.002 0.000 0.914 111 L HN 0.004 nan 8.230 nan 0.000 0.439 112 Q N -0.686 119.110 119.800 -0.007 0.000 2.515 112 Q HA -0.012 4.328 4.340 -0.001 0.000 0.212 112 Q C 1.687 177.681 176.000 -0.010 0.000 0.970 112 Q CA 0.785 56.582 55.803 -0.010 0.000 0.941 112 Q CB 0.011 28.744 28.738 -0.009 0.000 0.998 112 Q HN 0.420 nan 8.270 nan 0.000 0.518 113 L N -1.557 119.661 121.223 -0.008 0.000 2.515 113 L HA 0.195 4.534 4.340 -0.001 0.000 0.223 113 L C 1.537 178.401 176.870 -0.010 0.000 1.079 113 L CA 0.784 55.619 54.840 -0.008 0.000 0.857 113 L CB -0.087 41.969 42.059 -0.005 0.000 1.050 113 L HN -0.011 nan 8.230 nan 0.000 0.476 114 A N -1.824 120.989 122.820 -0.011 0.000 2.431 114 A HA 0.139 4.459 4.320 -0.001 0.000 0.239 114 A C 1.931 179.503 177.584 -0.020 0.000 1.230 114 A CA 0.036 52.065 52.037 -0.014 0.000 0.928 114 A CB -0.187 18.806 19.000 -0.011 0.000 1.006 114 A HN 0.214 nan 8.150 nan 0.000 0.520 115 M N 1.402 120.989 119.600 -0.022 0.000 2.080 115 M HA -0.030 4.449 4.480 -0.001 0.000 0.260 115 M C -1.175 175.104 176.300 -0.036 0.000 1.068 115 M CA 2.167 57.449 55.300 -0.030 0.000 1.109 115 M CB -0.495 32.089 32.600 -0.027 0.000 1.342 115 M HN 0.210 nan 8.290 nan 0.000 0.405 116 P HA 0.083 nan 4.420 nan 0.000 0.257 116 P C 0.785 178.067 177.300 -0.031 0.000 1.281 116 P CA 0.749 63.830 63.100 -0.032 0.000 0.826 116 P CB -0.001 31.684 31.700 -0.024 0.000 1.237 117 L N -1.246 119.959 121.223 -0.029 0.000 2.477 117 L HA 0.132 4.472 4.340 -0.001 0.000 0.220 117 L C 1.247 178.096 176.870 -0.034 0.000 1.106 117 L CA 0.483 55.308 54.840 -0.025 0.000 0.851 117 L CB -0.509 41.540 42.059 -0.016 0.000 0.994 117 L HN -0.112 nan 8.230 nan 0.000 0.462 118 L N 1.079 122.272 121.223 -0.051 0.000 2.367 118 L HA 0.238 4.578 4.340 -0.001 0.000 0.275 118 L C -1.901 174.900 176.870 -0.114 0.000 1.129 118 L CA -2.008 52.783 54.840 -0.083 0.000 0.839 118 L CB 0.021 42.024 42.059 -0.093 0.000 1.133 118 L HN -0.146 nan 8.230 nan 0.000 0.453 119 P HA -0.079 nan 4.420 nan 0.000 0.266 119 P C -0.101 177.086 177.300 -0.188 0.000 1.186 119 P CA -0.105 62.895 63.100 -0.167 0.000 0.767 119 P CB 0.425 31.974 31.700 -0.252 0.000 0.820 120 Q N 0.748 120.477 119.800 -0.120 0.000 2.500 120 Q HA -0.166 4.173 4.340 -0.001 0.000 0.213 120 Q C 1.060 176.984 176.000 -0.126 0.000 0.974 120 Q CA 1.653 57.393 55.803 -0.104 0.000 0.918 120 Q CB -0.510 28.194 28.738 -0.058 0.000 0.980 120 Q HN 0.395 nan 8.270 nan 0.000 0.505 121 E N 0.257 120.359 120.200 -0.163 0.000 2.076 121 E HA -0.052 4.298 4.350 -0.001 0.000 0.190 121 E C 1.783 178.240 176.600 -0.237 0.000 0.979 121 E CA 1.037 57.352 56.400 -0.141 0.000 0.807 121 E CB -0.121 29.565 29.700 -0.022 0.000 0.761 121 E HN 0.253 nan 8.360 nan 0.000 0.454 122 V N 0.133 119.788 119.914 -0.431 0.000 2.878 122 V HA -0.119 4.000 4.120 -0.001 0.000 0.250 122 V C 2.081 178.048 176.094 -0.211 0.000 1.075 122 V CA 1.405 63.498 62.300 -0.346 0.000 1.096 122 V CB 0.109 31.635 31.823 -0.493 0.000 0.724 122 V HN 0.243 nan 8.190 nan 0.000 0.467 123 Q N 0.186 119.866 119.800 -0.200 0.000 2.084 123 Q HA -0.283 4.056 4.340 -0.001 0.000 0.202 123 Q C 2.207 178.124 176.000 -0.140 0.000 0.978 123 Q CA 2.407 58.125 55.803 -0.142 0.000 0.844 123 Q CB -0.100 28.567 28.738 -0.120 0.000 0.898 123 Q HN 0.918 nan 8.270 nan 0.000 0.426 124 Q N -0.954 118.738 119.800 -0.179 0.000 2.389 124 Q HA -0.141 4.198 4.340 -0.001 0.000 0.204 124 Q C 1.705 177.529 176.000 -0.294 0.000 0.944 124 Q CA 0.857 56.524 55.803 -0.227 0.000 0.908 124 Q CB -0.010 28.563 28.738 -0.276 0.000 1.002 124 Q HN 0.232 nan 8.270 nan 0.000 0.493 125 Q N 0.601 120.252 119.800 -0.249 0.000 2.230 125 Q HA 0.044 4.384 4.340 -0.001 0.000 0.202 125 Q C 0.915 176.862 176.000 -0.087 0.000 0.963 125 Q CA 1.779 57.472 55.803 -0.184 0.000 0.866 125 Q CB 0.244 28.935 28.738 -0.079 0.000 0.931 125 Q HN 0.590 nan 8.270 nan 0.000 0.452 126 G N -1.355 107.396 108.800 -0.081 0.000 2.123 126 G HA2 0.057 4.017 3.960 -0.001 0.000 0.100 126 G HA3 0.057 4.017 3.960 -0.001 0.000 0.100 126 G C -0.420 174.456 174.900 -0.040 0.000 1.023 126 G CA 0.211 45.284 45.100 -0.045 0.000 1.101 126 G HN 1.077 nan 8.290 nan 0.000 0.331 127 V N -0.964 118.933 119.914 -0.028 0.000 3.565 127 V HA 0.237 4.356 4.120 -0.001 0.000 0.508 127 V C -0.722 175.365 176.094 -0.012 0.000 0.682 127 V CA 0.475 62.764 62.300 -0.020 0.000 2.059 127 V CB -1.555 30.252 31.823 -0.027 0.000 2.484 127 V HN 2.034 nan 8.190 nan 0.000 0.510 128 S N 4.021 119.719 115.700 -0.003 0.000 2.548 128 S HA 0.805 5.274 4.470 -0.001 0.000 0.276 128 S C -0.420 174.184 174.600 0.006 0.000 1.129 128 S CA -0.246 57.955 58.200 0.001 0.000 0.931 128 S CB 2.130 65.333 63.200 0.004 0.000 1.068 128 S HN 1.603 nan 8.310 nan 0.000 0.480 129 V N 4.410 124.328 119.914 0.007 0.000 2.350 129 V HA 0.616 4.736 4.120 -0.001 0.000 0.285 129 V C -0.189 175.912 176.094 0.012 0.000 1.014 129 V CA -0.458 61.850 62.300 0.013 0.000 0.831 129 V CB 1.074 32.905 31.823 0.013 0.000 1.000 129 V HN 0.933 nan 8.190 nan 0.000 0.433 130 E N 4.475 124.685 120.200 0.017 0.000 2.456 130 E HA 0.543 4.892 4.350 -0.001 0.000 0.276 130 E C -1.368 175.244 176.600 0.021 0.000 0.981 130 E CA -1.165 55.243 56.400 0.015 0.000 0.814 130 E CB 2.203 31.912 29.700 0.015 0.000 1.382 130 E HN 0.387 nan 8.360 nan 0.000 0.459 131 K N 0.499 120.908 120.400 0.015 0.000 2.154 131 K HA 0.478 4.798 4.320 -0.001 0.000 0.264 131 K C -0.305 176.308 176.600 0.022 0.000 1.008 131 K CA -0.466 55.832 56.287 0.018 0.000 0.937 131 K CB 1.188 33.693 32.500 0.008 0.000 1.002 131 K HN 0.431 nan 8.250 nan 0.000 0.469 132 S N 0.092 115.808 115.700 0.027 0.000 2.664 132 S HA 0.379 4.848 4.470 -0.001 0.000 0.304 132 S C 0.089 174.695 174.600 0.010 0.000 1.099 132 S CA -0.778 57.434 58.200 0.020 0.000 1.003 132 S CB 1.855 65.074 63.200 0.031 0.000 1.092 132 S HN 0.606 nan 8.310 nan 0.000 0.525 133 S N 0.105 115.798 115.700 -0.012 0.000 2.597 133 S HA 0.075 4.544 4.470 -0.001 0.000 0.275 133 S C 0.685 175.251 174.600 -0.056 0.000 1.040 133 S CA 0.309 58.494 58.200 -0.025 0.000 1.187 133 S CB -0.015 63.169 63.200 -0.025 0.000 0.988 133 S HN 1.375 nan 8.310 nan 0.000 0.490 134 S N 0.950 116.599 115.700 -0.086 0.000 3.319 134 S HA -0.179 4.290 4.470 -0.001 0.000 0.319 134 S C -0.122 174.385 174.600 -0.154 0.000 1.236 134 S CA 0.958 59.112 58.200 -0.076 0.000 0.964 134 S CB -2.137 61.069 63.200 0.009 0.000 1.040 134 S HN 0.439 nan 8.310 nan 0.000 0.620 135 S N 0.613 116.164 115.700 -0.247 0.000 2.677 135 S HA 0.669 5.138 4.470 -0.001 0.000 0.283 135 S C -0.443 174.022 174.600 -0.226 0.000 1.159 135 S CA -0.832 57.256 58.200 -0.186 0.000 1.001 135 S CB 0.734 63.933 63.200 -0.001 0.000 1.032 135 S HN 0.368 nan 8.310 nan 0.000 0.487 136 F N 2.023 121.961 119.950 -0.019 0.000 2.418 136 F HA 0.326 4.852 4.527 -0.001 0.000 0.341 136 F C 1.229 177.070 175.800 0.068 0.000 1.120 136 F CA -0.666 57.281 58.000 -0.089 0.000 1.232 136 F CB 0.487 39.254 39.000 -0.389 0.000 1.175 136 F HN 0.463 nan 8.300 nan 0.000 0.569 137 L N 1.854 123.243 121.223 0.277 0.000 2.202 137 L HA 0.288 4.627 4.340 -0.001 0.000 0.205 137 L C 0.041 177.082 176.870 0.286 0.000 1.083 137 L CA 1.387 56.381 54.840 0.256 0.000 0.790 137 L CB -0.035 42.125 42.059 0.169 0.000 0.942 137 L HN 0.574 nan 8.230 nan 0.000 0.452 138 M N -1.435 118.307 119.600 0.237 0.000 2.470 138 M HA 0.389 4.869 4.480 -0.001 0.000 0.285 138 M C -1.652 174.679 176.300 0.051 0.000 1.213 138 M CA -0.489 54.929 55.300 0.196 0.000 0.901 138 M CB 2.844 35.542 32.600 0.164 0.000 1.718 138 M HN -0.448 nan 8.290 nan 0.000 0.469 139 V N 3.265 123.166 119.914 -0.022 0.000 2.380 139 V HA 0.358 4.477 4.120 -0.001 0.000 0.286 139 V C -0.529 175.419 176.094 -0.242 0.000 1.015 139 V CA -0.830 61.331 62.300 -0.232 0.000 0.834 139 V CB 1.601 33.098 31.823 -0.544 0.000 1.009 139 V HN 0.646 nan 8.190 nan 0.000 0.428 140 V N 1.973 121.767 119.914 -0.201 0.000 2.304 140 V HA 0.739 4.858 4.120 -0.001 0.000 0.262 140 V C 0.849 176.750 176.094 -0.322 0.000 1.061 140 V CA -0.444 61.682 62.300 -0.290 0.000 0.872 140 V CB 0.742 32.447 31.823 -0.197 0.000 1.077 140 V HN 0.772 nan 8.190 nan 0.000 0.480 141 G N 3.592 112.113 108.800 -0.465 0.000 2.364 141 G HA2 0.462 4.422 3.960 -0.001 0.000 0.267 141 G HA3 0.462 4.422 3.960 -0.001 0.000 0.267 141 G C -0.363 174.340 174.900 -0.328 0.000 1.233 141 G CA -0.357 44.521 45.100 -0.369 0.000 0.885 141 G HN 0.798 nan 8.290 nan 0.000 0.490 142 V N 4.939 124.743 119.914 -0.183 0.000 2.304 142 V HA 0.292 4.412 4.120 -0.001 0.000 0.269 142 V C 0.492 176.493 176.094 -0.156 0.000 1.036 142 V CA -0.478 61.705 62.300 -0.195 0.000 0.840 142 V CB -0.094 31.627 31.823 -0.169 0.000 1.036 142 V HN 0.729 nan 8.190 nan 0.000 0.466 143 I N 2.109 122.567 120.570 -0.186 0.000 3.076 143 I HA 0.684 4.854 4.170 -0.001 0.000 0.313 143 I C -0.107 175.954 176.117 -0.094 0.000 1.053 143 I CA -0.425 60.808 61.300 -0.112 0.000 1.048 143 I CB 1.354 39.298 38.000 -0.093 0.000 1.264 143 I HN 0.330 nan 8.210 nan 0.000 0.498 144 N N 0.620 119.290 118.700 -0.050 0.000 2.370 144 N HA 0.470 5.209 4.740 -0.001 0.000 0.303 144 N C -0.314 175.183 175.510 -0.022 0.000 1.103 144 N CA -0.294 52.727 53.050 -0.049 0.000 0.848 144 N CB 2.061 40.521 38.487 -0.044 0.000 1.235 144 N HN 0.860 nan 8.380 nan 0.000 0.496 145 T N -1.030 113.509 114.554 -0.025 0.000 2.987 145 T HA 0.110 4.459 4.350 -0.001 0.000 0.248 145 T C 0.033 174.729 174.700 -0.006 0.000 0.997 145 T CA 0.053 62.148 62.100 -0.008 0.000 1.013 145 T CB 0.343 69.206 68.868 -0.008 0.000 1.077 145 T HN 0.705 nan 8.240 nan 0.000 0.483 146 D N 0.079 120.471 120.400 -0.014 0.000 2.732 146 D HA 0.370 5.009 4.640 -0.001 0.000 0.292 146 D C 0.508 176.799 176.300 -0.015 0.000 1.135 146 D CA -0.595 53.398 54.000 -0.010 0.000 1.071 146 D CB 0.575 41.371 40.800 -0.008 0.000 1.457 146 D HN 0.134 nan 8.370 nan 0.000 0.547 147 G N 0.834 109.628 108.800 -0.010 0.000 2.180 147 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.259 147 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.259 147 G C 0.288 175.179 174.900 -0.014 0.000 0.806 147 G CA 0.996 46.091 45.100 -0.009 0.000 1.131 147 G HN 0.615 nan 8.290 nan 0.000 0.411 148 T N 1.858 116.406 114.554 -0.010 0.000 2.822 148 T HA 0.122 4.472 4.350 -0.001 0.000 0.288 148 T C 1.916 176.613 174.700 -0.006 0.000 0.991 148 T CA 0.289 62.382 62.100 -0.012 0.000 1.176 148 T CB 0.798 69.663 68.868 -0.005 0.000 0.951 148 T HN 0.381 nan 8.240 nan 0.000 0.526 149 M N 1.723 121.314 119.600 -0.016 0.000 2.160 149 M HA 0.016 4.495 4.480 -0.001 0.000 0.264 149 M C 0.416 176.729 176.300 0.023 0.000 1.073 149 M CA 1.027 56.325 55.300 -0.003 0.000 1.142 149 M CB -0.028 32.553 32.600 -0.032 0.000 1.358 149 M HN 0.795 nan 8.290 nan 0.000 0.422 150 T N -1.559 113.002 114.554 0.013 0.000 1.787 150 T HA -0.108 4.241 4.350 -0.001 0.000 0.688 150 T C 0.044 174.758 174.700 0.023 0.000 1.143 150 T CA -0.023 62.093 62.100 0.027 0.000 3.366 150 T CB 0.108 69.009 68.868 0.054 0.000 2.220 150 T HN 0.394 nan 8.240 nan 0.000 0.442 151 Q N 1.418 121.230 119.800 0.021 0.000 2.065 151 Q HA -0.253 4.086 4.340 -0.001 0.000 0.213 151 Q C 1.979 177.985 176.000 0.011 0.000 1.012 151 Q CA 3.030 58.840 55.803 0.012 0.000 0.876 151 Q CB -0.100 28.649 28.738 0.018 0.000 0.954 151 Q HN 0.735 nan 8.270 nan 0.000 0.413 152 E N -0.123 120.108 120.200 0.052 0.000 2.153 152 E HA -0.179 4.171 4.350 -0.001 0.000 0.194 152 E C 1.666 178.260 176.600 -0.009 0.000 0.988 152 E CA 1.254 57.696 56.400 0.068 0.000 0.811 152 E CB -0.332 29.503 29.700 0.226 0.000 0.746 152 E HN 0.518 nan 8.360 nan 0.000 0.466 153 D N 0.791 121.221 120.400 0.050 0.000 2.120 153 D HA -0.043 4.596 4.640 -0.001 0.000 0.202 153 D C 2.055 178.312 176.300 -0.072 0.000 0.972 153 D CA 0.453 54.470 54.000 0.027 0.000 0.837 153 D CB 0.072 40.932 40.800 0.101 0.000 0.989 153 D HN 0.096 nan 8.370 nan 0.000 0.469 154 I N 0.533 121.076 120.570 -0.046 0.000 2.233 154 I HA -0.187 3.983 4.170 -0.001 0.000 0.243 154 I C 2.513 178.609 176.117 -0.035 0.000 1.093 154 I CA 0.673 61.951 61.300 -0.037 0.000 1.380 154 I CB -0.210 37.763 38.000 -0.045 0.000 1.067 154 I HN -0.135 nan 8.210 nan 0.000 0.413 155 S N 0.129 115.792 115.700 -0.062 0.000 2.402 155 S HA -0.273 4.196 4.470 -0.001 0.000 0.233 155 S C 1.675 176.200 174.600 -0.125 0.000 1.030 155 S CA 1.834 59.996 58.200 -0.063 0.000 1.003 155 S CB -0.502 62.664 63.200 -0.056 0.000 0.813 155 S HN 0.586 nan 8.310 nan 0.000 0.477 156 D N 0.120 120.363 120.400 -0.262 0.000 2.091 156 D HA -0.154 4.486 4.640 -0.001 0.000 0.199 156 D C 1.798 178.008 176.300 -0.150 0.000 0.980 156 D CA 1.032 54.817 54.000 -0.357 0.000 0.831 156 D CB -0.343 39.885 40.800 -0.954 0.000 0.987 156 D HN 0.418 nan 8.370 nan 0.000 0.460 157 Y N 0.146 120.331 120.300 -0.192 0.000 2.274 157 Y HA -0.082 4.468 4.550 -0.001 0.000 0.290 157 Y C 2.183 178.045 175.900 -0.064 0.000 1.145 157 Y CA 1.112 59.156 58.100 -0.094 0.000 1.203 157 Y CB -0.297 38.114 38.460 -0.080 0.000 0.984 157 Y HN -0.023 nan 8.280 nan 0.000 0.533 158 V N -0.188 119.739 119.914 0.021 0.000 2.720 158 V HA -0.237 3.882 4.120 -0.001 0.000 0.256 158 V C 2.018 178.079 176.094 -0.055 0.000 1.082 158 V CA 1.902 64.192 62.300 -0.018 0.000 1.101 158 V CB -0.636 31.190 31.823 0.004 0.000 0.693 158 V HN 0.549 nan 8.190 nan 0.000 0.479 159 A N -1.163 121.610 122.820 -0.078 0.000 1.993 159 A HA 0.444 4.764 4.320 -0.001 0.000 0.207 159 A C 2.194 179.714 177.584 -0.105 0.000 1.224 159 A CA 0.954 52.947 52.037 -0.072 0.000 0.749 159 A CB -0.396 18.573 19.000 -0.053 0.000 0.884 159 A HN 0.617 nan 8.150 nan 0.000 0.467 160 A N -0.297 122.430 122.820 -0.155 0.000 2.119 160 A HA -0.015 4.304 4.320 -0.001 0.000 0.216 160 A C 1.635 179.075 177.584 -0.240 0.000 1.152 160 A CA 1.731 53.668 52.037 -0.167 0.000 0.708 160 A CB -0.452 18.468 19.000 -0.133 0.000 0.805 160 A HN 0.600 nan 8.150 nan 0.000 0.460 161 N N -2.140 116.352 118.700 -0.347 0.000 2.419 161 N HA 0.111 4.851 4.740 -0.001 0.000 0.216 161 N C 1.085 176.517 175.510 -0.130 0.000 1.118 161 N CA 0.851 53.699 53.050 -0.336 0.000 0.850 161 N CB 0.383 38.423 38.487 -0.744 0.000 1.292 161 N HN 0.352 nan 8.380 nan 0.000 0.467 162 M N -2.531 117.021 119.600 -0.080 0.000 2.151 162 M HA 0.411 4.891 4.480 -0.001 0.000 0.382 162 M C 1.062 177.368 176.300 0.010 0.000 0.861 162 M CA -0.187 55.123 55.300 0.016 0.000 1.088 162 M CB 0.446 33.130 32.600 0.140 0.000 2.060 162 M HN -0.229 nan 8.290 nan 0.000 0.695 163 K N 2.121 122.511 120.400 -0.016 0.000 2.103 163 K HA -0.120 4.199 4.320 -0.001 0.000 0.204 163 K C 0.796 177.394 176.600 -0.004 0.000 1.052 163 K CA 2.281 58.565 56.287 -0.004 0.000 0.945 163 K CB -0.039 32.454 32.500 -0.012 0.000 0.722 163 K HN 0.694 nan 8.250 nan 0.000 0.443 164 D N -0.063 120.326 120.400 -0.018 0.000 2.178 164 D HA -0.127 4.512 4.640 -0.001 0.000 0.201 164 D C 1.665 177.960 176.300 -0.008 0.000 0.980 164 D CA 1.218 55.208 54.000 -0.016 0.000 0.842 164 D CB -0.143 40.639 40.800 -0.031 0.000 0.948 164 D HN 0.157 nan 8.370 nan 0.000 0.472 165 A N 0.380 123.197 122.820 -0.005 0.000 2.014 165 A HA 0.007 4.327 4.320 -0.001 0.000 0.218 165 A C 1.899 179.493 177.584 0.016 0.000 1.163 165 A CA 0.657 52.697 52.037 0.004 0.000 0.652 165 A CB -0.400 18.605 19.000 0.010 0.000 0.808 165 A HN 0.194 nan 8.150 nan 0.000 0.449 166 I N -1.111 119.473 120.570 0.022 0.000 2.951 166 I HA -0.100 4.069 4.170 -0.001 0.000 0.203 166 I C 2.424 178.557 176.117 0.027 0.000 1.047 166 I CA 1.280 62.599 61.300 0.032 0.000 1.399 166 I CB -1.650 36.373 38.000 0.039 0.000 1.246 166 I HN 0.330 nan 8.210 nan 0.000 0.411 167 S N 0.133 115.850 115.700 0.029 0.000 2.511 167 S HA -0.334 4.136 4.470 -0.001 0.000 0.279 167 S C 2.112 176.725 174.600 0.021 0.000 1.169 167 S CA 2.210 60.426 58.200 0.028 0.000 1.101 167 S CB -0.500 62.715 63.200 0.024 0.000 0.979 167 S HN 0.348 nan 8.310 nan 0.000 0.460 168 R N -0.077 120.432 120.500 0.015 0.000 2.276 168 R HA 0.034 4.373 4.340 -0.001 0.000 0.203 168 R C 1.542 177.850 176.300 0.013 0.000 1.017 168 R CA 0.924 57.031 56.100 0.011 0.000 1.010 168 R CB -0.226 30.077 30.300 0.005 0.000 0.900 168 R HN 0.463 nan 8.270 nan 0.000 0.469 169 T N -1.062 113.503 114.554 0.019 0.000 3.332 169 T HA 0.047 4.396 4.350 -0.001 0.000 0.367 169 T C 0.122 174.836 174.700 0.023 0.000 1.244 169 T CA -0.266 61.846 62.100 0.021 0.000 0.977 169 T CB 0.661 69.545 68.868 0.027 0.000 1.784 169 T HN 0.042 nan 8.240 nan 0.000 0.553 170 S N 0.997 116.712 115.700 0.026 0.000 2.962 170 S HA 0.401 4.871 4.470 -0.001 0.000 0.320 170 S C 0.765 175.383 174.600 0.030 0.000 1.186 170 S CA 0.359 58.574 58.200 0.026 0.000 1.180 170 S CB -0.819 62.397 63.200 0.026 0.000 1.491 170 S HN 1.173 nan 8.310 nan 0.000 0.556 171 G N 2.241 111.057 108.800 0.026 0.000 2.370 171 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.295 171 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.295 171 G C -0.222 174.700 174.900 0.036 0.000 1.045 171 G CA -0.364 44.752 45.100 0.028 0.000 1.199 171 G HN 0.630 nan 8.290 nan 0.000 0.513 172 V N 0.892 120.827 119.914 0.035 0.000 2.398 172 V HA 0.660 4.780 4.120 -0.001 0.000 0.286 172 V C 1.715 177.830 176.094 0.036 0.000 1.026 172 V CA 0.352 62.678 62.300 0.044 0.000 0.868 172 V CB 1.184 33.036 31.823 0.048 0.000 0.982 172 V HN 0.659 nan 8.190 nan 0.000 0.443 173 G N 4.364 113.187 108.800 0.038 0.000 2.524 173 G HA2 -0.046 3.914 3.960 -0.001 0.000 0.215 173 G HA3 -0.046 3.914 3.960 -0.001 0.000 0.215 173 G C 0.091 175.009 174.900 0.031 0.000 1.239 173 G CA 1.113 46.230 45.100 0.029 0.000 0.798 173 G HN 0.900 nan 8.290 nan 0.000 0.557 174 D N -1.960 118.464 120.400 0.041 0.000 2.891 174 D HA 0.399 5.038 4.640 -0.001 0.000 0.224 174 D C -1.001 175.341 176.300 0.071 0.000 1.321 174 D CA -0.773 53.254 54.000 0.045 0.000 0.929 174 D CB 1.891 42.712 40.800 0.035 0.000 1.551 174 D HN 0.093 nan 8.370 nan 0.000 0.574 175 V N 2.394 122.345 119.914 0.061 0.000 2.455 175 V HA 0.177 4.297 4.120 -0.001 0.000 0.273 175 V C 0.118 176.242 176.094 0.049 0.000 1.045 175 V CA -0.045 62.297 62.300 0.069 0.000 0.976 175 V CB 1.197 33.048 31.823 0.046 0.000 0.993 175 V HN 0.631 nan 8.190 nan 0.000 0.475 176 Q N 5.592 125.431 119.800 0.065 0.000 2.569 176 Q HA 0.252 4.592 4.340 -0.001 0.000 0.226 176 Q C -0.613 175.259 176.000 -0.213 0.000 1.136 176 Q CA -0.695 55.096 55.803 -0.020 0.000 0.947 176 Q CB 1.241 30.037 28.738 0.097 0.000 1.218 176 Q HN 0.727 nan 8.270 nan 0.000 0.547 177 L N 0.250 121.395 121.223 -0.131 0.000 2.426 177 L HA 0.343 4.682 4.340 -0.001 0.000 0.271 177 L C -0.550 176.228 176.870 -0.152 0.000 1.169 177 L CA 0.322 55.100 54.840 -0.102 0.000 0.836 177 L CB -0.603 41.448 42.059 -0.013 0.000 1.112 177 L HN 0.300 nan 8.230 nan 0.000 0.465 178 F N 3.787 123.785 119.950 0.081 0.000 2.567 178 F HA 0.589 5.115 4.527 -0.001 0.000 0.352 178 F C 1.280 177.108 175.800 0.046 0.000 1.229 178 F CA 0.987 59.047 58.000 0.100 0.000 1.228 178 F CB 0.206 39.298 39.000 0.153 0.000 1.568 178 F HN 1.005 nan 8.300 nan 0.000 0.634 179 G N 0.192 109.067 108.800 0.125 0.000 2.470 179 G HA2 0.300 4.260 3.960 -0.001 0.000 0.145 179 G HA3 0.300 4.260 3.960 -0.001 0.000 0.145 179 G C -1.250 173.645 174.900 -0.008 0.000 1.223 179 G CA -0.535 44.596 45.100 0.050 0.000 1.058 179 G HN 0.365 nan 8.290 nan 0.000 0.469 180 S N -0.380 115.292 115.700 -0.046 0.000 2.548 180 S HA 0.526 4.995 4.470 -0.001 0.000 0.278 180 S C -0.597 173.955 174.600 -0.081 0.000 1.150 180 S CA 0.250 58.414 58.200 -0.060 0.000 0.907 180 S CB 1.332 64.472 63.200 -0.100 0.000 1.108 180 S HN 1.097 nan 8.310 nan 0.000 0.459 181 Q N 3.099 122.871 119.800 -0.048 0.000 2.354 181 Q HA 0.463 4.803 4.340 -0.001 0.000 0.244 181 Q C -0.916 175.107 176.000 0.039 0.000 0.969 181 Q CA -0.345 55.419 55.803 -0.066 0.000 0.885 181 Q CB 0.294 29.014 28.738 -0.030 0.000 1.241 181 Q HN 0.586 nan 8.270 nan 0.000 0.461 182 Y N 0.598 120.930 120.300 0.053 0.000 2.683 182 Y HA 0.256 4.806 4.550 -0.001 0.000 0.340 182 Y C 0.372 176.353 175.900 0.136 0.000 1.245 182 Y CA 0.361 58.512 58.100 0.086 0.000 1.485 182 Y CB 0.421 38.950 38.460 0.114 0.000 1.328 182 Y HN 0.794 nan 8.280 nan 0.000 0.603 183 A N 2.935 125.953 122.820 0.330 0.000 2.469 183 A HA 0.631 4.950 4.320 -0.001 0.000 0.299 183 A C -0.822 176.770 177.584 0.014 0.000 1.098 183 A CA -1.076 51.114 52.037 0.253 0.000 0.737 183 A CB 1.192 20.360 19.000 0.281 0.000 1.312 183 A HN 0.662 nan 8.150 nan 0.000 0.414 184 M N 2.695 122.120 119.600 -0.293 0.000 2.869 184 M HA 0.203 4.683 4.480 -0.001 0.000 0.299 184 M C -0.082 175.879 176.300 -0.565 0.000 1.508 184 M CA -0.025 54.800 55.300 -0.791 0.000 1.551 184 M CB -0.585 30.960 32.600 -1.759 0.000 1.384 184 M HN 0.460 nan 8.290 nan 0.000 0.491 185 R N 5.108 125.354 120.500 -0.422 0.000 2.316 185 R HA 0.362 4.702 4.340 -0.001 0.000 0.314 185 R C -0.737 175.113 176.300 -0.751 0.000 1.069 185 R CA 0.008 55.766 56.100 -0.569 0.000 0.959 185 R CB -0.438 29.619 30.300 -0.405 0.000 0.987 185 R HN 0.673 nan 8.270 nan 0.000 0.446 186 I N 3.409 123.506 120.570 -0.789 0.000 2.382 186 I HA 0.263 4.433 4.170 -0.001 0.000 0.285 186 I C -0.527 175.278 176.117 -0.519 0.000 1.007 186 I CA -0.552 60.437 61.300 -0.519 0.000 1.142 186 I CB 0.995 38.843 38.000 -0.253 0.000 1.289 186 I HN 0.392 nan 8.210 nan 0.000 0.453 187 W N 7.340 128.655 121.300 0.025 0.000 2.298 187 W HA 0.550 5.210 4.660 -0.001 0.000 0.327 187 W C -0.066 176.498 176.519 0.075 0.000 0.988 187 W CA -0.724 56.650 57.345 0.048 0.000 1.448 187 W CB 0.486 29.962 29.460 0.026 0.000 1.243 187 W HN 0.237 nan 8.180 nan 0.000 0.388 188 M N 2.844 122.611 119.600 0.280 0.000 2.228 188 M HA 0.131 4.611 4.480 -0.001 0.000 0.326 188 M C 0.390 176.785 176.300 0.158 0.000 1.122 188 M CA 0.185 55.612 55.300 0.212 0.000 1.161 188 M CB 0.504 33.251 32.600 0.245 0.000 1.437 188 M HN 0.280 nan 8.290 nan 0.000 0.465 189 N N 2.337 121.029 118.700 -0.013 0.000 2.443 189 N HA 0.323 5.062 4.740 -0.001 0.000 0.269 189 N C -2.207 173.027 175.510 -0.460 0.000 0.985 189 N CA -2.048 50.789 53.050 -0.354 0.000 0.921 189 N CB 1.817 40.168 38.487 -0.226 0.000 1.195 189 N HN 0.267 nan 8.380 nan 0.000 0.492 190 P HA -0.091 nan 4.420 nan 0.000 0.218 190 P C 0.573 177.624 177.300 -0.415 0.000 1.149 190 P CA 1.098 63.719 63.100 -0.798 0.000 0.817 190 P CB 0.624 31.342 31.700 -1.637 0.000 0.785 191 N N 0.338 118.752 118.700 -0.476 0.000 2.142 191 N HA -0.145 4.594 4.740 -0.001 0.000 0.186 191 N C 1.816 177.208 175.510 -0.197 0.000 1.023 191 N CA 1.125 54.008 53.050 -0.278 0.000 0.852 191 N CB -0.680 37.663 38.487 -0.241 0.000 0.998 191 N HN 0.206 nan 8.380 nan 0.000 0.424 192 E N 0.485 120.593 120.200 -0.154 0.000 2.285 192 E HA 0.117 4.467 4.350 -0.001 0.000 0.194 192 E C 1.918 178.591 176.600 0.122 0.000 0.997 192 E CA 0.161 56.562 56.400 0.003 0.000 0.845 192 E CB 0.019 29.751 29.700 0.054 0.000 0.782 192 E HN 0.253 nan 8.360 nan 0.000 0.491 193 L N 0.086 121.327 121.223 0.030 0.000 2.068 193 L HA -0.070 4.270 4.340 -0.001 0.000 0.204 193 L C 2.229 179.147 176.870 0.080 0.000 1.076 193 L CA 1.452 56.354 54.840 0.104 0.000 0.753 193 L CB -0.352 41.773 42.059 0.111 0.000 0.910 193 L HN 0.207 nan 8.230 nan 0.000 0.439 194 N N 0.172 118.858 118.700 -0.023 0.000 2.223 194 N HA -0.266 4.474 4.740 -0.001 0.000 0.185 194 N C 1.834 177.225 175.510 -0.199 0.000 1.016 194 N CA 1.272 54.244 53.050 -0.130 0.000 0.863 194 N CB -0.022 38.251 38.487 -0.356 0.000 0.983 194 N HN 0.104 nan 8.380 nan 0.000 0.429 195 K N -0.934 119.325 120.400 -0.235 0.000 2.097 195 K HA -0.087 4.233 4.320 -0.001 0.000 0.206 195 K C 0.269 176.588 176.600 -0.469 0.000 1.049 195 K CA 1.181 57.226 56.287 -0.404 0.000 0.933 195 K CB -0.108 32.062 32.500 -0.549 0.000 0.717 195 K HN 0.245 nan 8.250 nan 0.000 0.442 196 F N 1.093 121.008 119.950 -0.058 0.000 2.645 196 F HA 0.182 4.708 4.527 -0.001 0.000 0.300 196 F C -0.276 175.510 175.800 -0.023 0.000 1.115 196 F CA -0.418 57.561 58.000 -0.035 0.000 1.355 196 F CB 0.274 39.260 39.000 -0.023 0.000 1.026 196 F HN -0.027 nan 8.300 nan 0.000 0.536 197 Q N 0.960 120.805 119.800 0.075 0.000 2.453 197 Q HA -0.159 4.181 4.340 -0.001 0.000 0.330 197 Q C -1.235 174.826 176.000 0.101 0.000 1.417 197 Q CA 0.627 56.468 55.803 0.062 0.000 0.902 197 Q CB -1.610 27.154 28.738 0.043 0.000 1.154 197 Q HN 0.480 nan 8.270 nan 0.000 0.395 198 L N -1.040 120.257 121.223 0.125 0.000 2.370 198 L HA 0.820 5.160 4.340 -0.001 0.000 0.266 198 L C 0.237 177.199 176.870 0.154 0.000 1.002 198 L CA -0.865 54.051 54.840 0.127 0.000 0.818 198 L CB 2.393 44.527 42.059 0.126 0.000 1.325 198 L HN 0.123 nan 8.230 nan 0.000 0.418 199 T N 0.294 114.935 114.554 0.145 0.000 2.908 199 T HA 0.425 4.774 4.350 -0.001 0.000 0.290 199 T C -2.114 172.681 174.700 0.158 0.000 1.034 199 T CA -2.015 60.194 62.100 0.181 0.000 1.010 199 T CB 1.889 70.850 68.868 0.154 0.000 1.068 199 T HN 0.249 nan 8.240 nan 0.000 0.481 200 P HA -0.184 nan 4.420 nan 0.000 0.222 200 P C 1.611 178.966 177.300 0.092 0.000 1.154 200 P CA 1.055 64.236 63.100 0.136 0.000 0.874 200 P CB -0.100 31.669 31.700 0.115 0.000 0.787 201 V N 0.230 120.196 119.914 0.087 0.000 2.343 201 V HA -0.249 3.871 4.120 -0.001 0.000 0.247 201 V C 2.019 178.144 176.094 0.052 0.000 1.051 201 V CA 2.251 64.589 62.300 0.063 0.000 1.036 201 V CB -1.271 30.586 31.823 0.057 0.000 0.654 201 V HN 0.131 nan 8.190 nan 0.000 0.451 202 D N 0.259 120.693 120.400 0.057 0.000 2.144 202 D HA -0.122 4.517 4.640 -0.001 0.000 0.199 202 D C 2.191 178.511 176.300 0.032 0.000 0.984 202 D CA 1.340 55.365 54.000 0.042 0.000 0.834 202 D CB -0.298 40.531 40.800 0.049 0.000 0.955 202 D HN 0.380 nan 8.370 nan 0.000 0.465 203 V N 1.319 121.260 119.914 0.045 0.000 2.270 203 V HA -0.213 3.906 4.120 -0.001 0.000 0.245 203 V C 2.594 178.703 176.094 0.025 0.000 1.043 203 V CA 1.117 63.437 62.300 0.034 0.000 1.014 203 V CB -0.447 31.407 31.823 0.051 0.000 0.645 203 V HN 0.128 nan 8.190 nan 0.000 0.447 204 I N 1.171 121.760 120.570 0.033 0.000 2.099 204 I HA -0.296 3.873 4.170 -0.001 0.000 0.239 204 I C 2.820 178.947 176.117 0.018 0.000 1.066 204 I CA 2.300 63.616 61.300 0.027 0.000 1.324 204 I CB -0.882 37.140 38.000 0.037 0.000 1.037 204 I HN 0.523 nan 8.210 nan 0.000 0.401 205 T N -0.620 113.945 114.554 0.019 0.000 2.803 205 T HA -0.142 4.207 4.350 -0.001 0.000 0.269 205 T C 1.881 176.579 174.700 -0.003 0.000 1.052 205 T CA 1.093 63.199 62.100 0.010 0.000 1.136 205 T CB -0.569 68.307 68.868 0.012 0.000 0.864 205 T HN 0.389 nan 8.240 nan 0.000 0.467 206 A N 0.862 123.677 122.820 -0.008 0.000 2.066 206 A HA 0.272 4.591 4.320 -0.001 0.000 0.218 206 A C 2.264 179.822 177.584 -0.044 0.000 1.157 206 A CA 0.615 52.636 52.037 -0.026 0.000 0.670 206 A CB -0.680 18.303 19.000 -0.028 0.000 0.804 206 A HN 0.588 nan 8.150 nan 0.000 0.453 207 I N 0.584 121.136 120.570 -0.030 0.000 2.133 207 I HA -0.238 3.932 4.170 -0.001 0.000 0.238 207 I C 2.438 178.525 176.117 -0.051 0.000 1.074 207 I CA 1.666 62.941 61.300 -0.041 0.000 1.342 207 I CB -0.195 37.816 38.000 0.017 0.000 1.053 207 I HN 0.345 nan 8.210 nan 0.000 0.404 208 K N 1.731 122.119 120.400 -0.020 0.000 2.442 208 K HA 0.009 4.329 4.320 -0.001 0.000 0.198 208 K C 1.683 178.268 176.600 -0.026 0.000 1.042 208 K CA 1.357 57.636 56.287 -0.014 0.000 0.958 208 K CB -0.272 32.232 32.500 0.006 0.000 0.766 208 K HN 0.309 nan 8.250 nan 0.000 0.474 209 A N 0.835 123.634 122.820 -0.035 0.000 2.178 209 A HA 0.024 4.343 4.320 -0.001 0.000 0.211 209 A C 1.785 179.334 177.584 -0.058 0.000 1.157 209 A CA 0.465 52.480 52.037 -0.038 0.000 0.780 209 A CB 0.056 19.037 19.000 -0.032 0.000 0.828 209 A HN 0.411 nan 8.150 nan 0.000 0.476 210 Q N -1.791 117.956 119.800 -0.088 0.000 2.471 210 Q HA 0.088 4.427 4.340 -0.001 0.000 0.259 210 Q C 0.157 176.061 176.000 -0.160 0.000 0.850 210 Q CA -0.076 55.654 55.803 -0.122 0.000 0.981 210 Q CB 0.378 29.027 28.738 -0.147 0.000 1.180 210 Q HN 0.473 nan 8.270 nan 0.000 0.571 211 N N 1.392 119.978 118.700 -0.190 0.000 3.245 211 N HA 0.246 4.986 4.740 -0.001 0.000 0.296 211 N C -1.591 173.884 175.510 -0.057 0.000 1.254 211 N CA -0.028 52.914 53.050 -0.179 0.000 1.190 211 N CB 0.327 38.673 38.487 -0.234 0.000 1.460 211 N HN 0.169 nan 8.380 nan 0.000 0.538 212 A N 1.284 124.075 122.820 -0.049 0.000 2.365 212 A HA 0.547 4.866 4.320 -0.001 0.000 0.318 212 A C -0.582 176.997 177.584 -0.009 0.000 1.091 212 A CA -0.672 51.354 52.037 -0.019 0.000 0.763 212 A CB 1.271 20.257 19.000 -0.023 0.000 1.248 212 A HN 0.413 nan 8.150 nan 0.000 0.442 213 Q N 1.649 121.451 119.800 0.004 0.000 2.571 213 Q HA 0.486 4.825 4.340 -0.001 0.000 0.243 213 Q C -0.539 175.462 176.000 0.002 0.000 1.055 213 Q CA -0.370 55.437 55.803 0.005 0.000 0.815 213 Q CB 0.622 29.368 28.738 0.014 0.000 1.151 213 Q HN 0.830 nan 8.270 nan 0.000 0.519 214 V N -0.372 119.540 119.914 -0.003 0.000 3.262 214 V HA 0.936 5.056 4.120 -0.001 0.000 0.313 214 V C 0.104 176.196 176.094 -0.003 0.000 1.070 214 V CA -0.713 61.585 62.300 -0.004 0.000 1.049 214 V CB 1.495 33.314 31.823 -0.007 0.000 1.157 214 V HN 0.576 nan 8.190 nan 0.000 0.454 215 A N 1.060 123.878 122.820 -0.003 0.000 2.802 215 A HA 0.850 5.169 4.320 -0.001 0.000 0.344 215 A C 0.166 177.748 177.584 -0.004 0.000 1.215 215 A CA -0.019 52.016 52.037 -0.003 0.000 0.821 215 A CB -0.250 18.748 19.000 -0.003 0.000 1.099 215 A HN 1.739 nan 8.150 nan 0.000 0.479 216 A N 1.182 124.000 122.820 -0.005 0.000 2.304 216 A HA 0.746 5.065 4.320 -0.001 0.000 0.301 216 A C 1.062 178.643 177.584 -0.004 0.000 1.132 216 A CA 0.184 52.218 52.037 -0.005 0.000 0.819 216 A CB 0.366 19.363 19.000 -0.006 0.000 1.094 216 A HN 1.207 nan 8.150 nan 0.000 0.492 217 G N 0.234 109.031 108.800 -0.004 0.000 2.711 217 G HA2 0.443 4.403 3.960 -0.001 0.000 0.186 217 G HA3 0.443 4.403 3.960 -0.001 0.000 0.186 217 G C -0.009 174.889 174.900 -0.004 0.000 1.635 217 G CA 0.467 45.565 45.100 -0.004 0.000 1.065 217 G HN 1.058 nan 8.290 nan 0.000 0.545 218 Q N -1.186 118.612 119.800 -0.004 0.000 2.340 218 Q HA 0.504 4.844 4.340 -0.001 0.000 0.276 218 Q C -1.320 174.678 176.000 -0.003 0.000 1.048 218 Q CA -0.906 54.895 55.803 -0.004 0.000 0.832 218 Q CB 1.824 30.560 28.738 -0.003 0.000 1.373 218 Q HN 0.343 nan 8.270 nan 0.000 0.409 219 L N 1.862 123.083 121.223 -0.003 0.000 2.462 219 L HA 0.336 4.675 4.340 -0.001 0.000 0.272 219 L C 0.926 177.794 176.870 -0.003 0.000 1.166 219 L CA 0.984 55.822 54.840 -0.003 0.000 0.880 219 L CB 0.032 42.089 42.059 -0.003 0.000 1.142 219 L HN 1.069 nan 8.230 nan 0.000 0.473 220 G N 3.008 111.807 108.800 -0.003 0.000 2.415 220 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.283 220 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.283 220 G C 0.587 175.486 174.900 -0.003 0.000 1.014 220 G CA -0.048 45.051 45.100 -0.003 0.000 1.323 220 G HN 1.015 nan 8.290 nan 0.000 0.502 221 G N 0.805 109.603 108.800 -0.003 0.000 2.608 221 G HA2 0.486 4.445 3.960 -0.001 0.000 0.212 221 G HA3 0.486 4.445 3.960 -0.001 0.000 0.212 221 G C 1.592 176.490 174.900 -0.003 0.000 1.572 221 G CA 1.553 46.651 45.100 -0.003 0.000 1.064 221 G HN 1.294 nan 8.290 nan 0.000 0.556 222 T N 0.043 114.596 114.554 -0.003 0.000 2.706 222 T HA 0.086 4.436 4.350 -0.001 0.000 0.255 222 T C -1.458 173.241 174.700 -0.003 0.000 1.048 222 T CA 0.481 62.579 62.100 -0.003 0.000 1.153 222 T CB -1.203 67.663 68.868 -0.003 0.000 0.865 222 T HN 0.323 nan 8.240 nan 0.000 0.414 223 P HA 0.485 nan 4.420 nan 0.000 0.284 223 P C -2.455 174.843 177.300 -0.003 0.000 1.343 223 P CA -1.255 61.844 63.100 -0.003 0.000 0.826 223 P CB 0.559 32.257 31.700 -0.003 0.000 0.956 224 P HA 0.286 nan 4.420 nan 0.000 0.286 224 P C -0.996 176.303 177.300 -0.002 0.000 1.292 224 P CA -0.780 62.318 63.100 -0.002 0.000 0.842 224 P CB 1.047 32.746 31.700 -0.002 0.000 1.207 225 V N 1.394 121.307 119.914 -0.002 0.000 2.339 225 V HA 0.083 4.202 4.120 -0.001 0.000 0.261 225 V C 0.311 176.404 176.094 -0.002 0.000 1.058 225 V CA -0.740 61.558 62.300 -0.002 0.000 0.897 225 V CB -0.606 31.215 31.823 -0.002 0.000 1.052 225 V HN 0.556 nan 8.190 nan 0.000 0.480 226 K N 3.717 124.116 120.400 -0.002 0.000 2.321 226 K HA 0.304 4.623 4.320 -0.001 0.000 0.266 226 K C 0.996 177.595 176.600 -0.002 0.000 1.215 226 K CA 0.914 57.200 56.287 -0.002 0.000 1.225 226 K CB -0.675 31.824 32.500 -0.002 0.000 0.827 226 K HN 0.942 nan 8.250 nan 0.000 0.478 227 G N 1.261 110.060 108.800 -0.002 0.000 2.559 227 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.202 227 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.202 227 G C -0.425 174.474 174.900 -0.002 0.000 0.992 227 G CA -0.410 44.689 45.100 -0.002 0.000 0.764 227 G HN 0.624 nan 8.290 nan 0.000 0.525 228 Q N 0.744 120.542 119.800 -0.002 0.000 2.332 228 Q HA 0.586 4.926 4.340 -0.001 0.000 0.263 228 Q C 1.332 177.331 176.000 -0.002 0.000 0.979 228 Q CA 0.245 56.047 55.803 -0.002 0.000 0.885 228 Q CB 0.864 29.601 28.738 -0.002 0.000 1.218 228 Q HN 0.244 nan 8.270 nan 0.000 0.405 229 Q N 2.852 122.651 119.800 -0.002 0.000 2.402 229 Q HA 0.259 4.598 4.340 -0.001 0.000 0.231 229 Q C -0.168 175.831 176.000 -0.002 0.000 0.888 229 Q CA 0.404 56.206 55.803 -0.002 0.000 0.938 229 Q CB 0.336 29.073 28.738 -0.002 0.000 1.086 229 Q HN 0.676 nan 8.270 nan 0.000 0.543 230 L N -1.874 119.348 121.223 -0.002 0.000 2.371 230 L HA 0.677 5.017 4.340 -0.001 0.000 0.262 230 L C -0.689 176.180 176.870 -0.002 0.000 1.006 230 L CA -0.854 53.985 54.840 -0.002 0.000 0.818 230 L CB 2.252 44.310 42.059 -0.002 0.000 1.354 230 L HN -0.195 nan 8.230 nan 0.000 0.415 231 N N 1.613 120.311 118.700 -0.002 0.000 2.371 231 N HA 0.768 5.508 4.740 -0.001 0.000 0.291 231 N C -1.900 173.608 175.510 -0.003 0.000 1.053 231 N CA -0.263 52.785 53.050 -0.003 0.000 0.870 231 N CB 2.434 40.919 38.487 -0.003 0.000 1.503 231 N HN 1.065 nan 8.380 nan 0.000 0.485 232 A N 1.976 124.795 122.820 -0.003 0.000 2.459 232 A HA 0.448 4.768 4.320 -0.001 0.000 0.296 232 A C -0.432 177.151 177.584 -0.003 0.000 1.039 232 A CA -0.677 51.358 52.037 -0.003 0.000 0.698 232 A CB 1.067 20.065 19.000 -0.003 0.000 1.261 232 A HN 0.631 nan 8.150 nan 0.000 0.405 233 S N 2.071 117.770 115.700 -0.003 0.000 2.531 233 S HA 0.548 5.017 4.470 -0.001 0.000 0.279 233 S C -0.038 174.560 174.600 -0.004 0.000 1.305 233 S CA -0.152 58.046 58.200 -0.003 0.000 1.058 233 S CB 0.066 63.264 63.200 -0.004 0.000 0.899 233 S HN 0.511 nan 8.310 nan 0.000 0.493 234 I N 3.529 124.096 120.570 -0.004 0.000 2.342 234 I HA 0.251 4.420 4.170 -0.001 0.000 0.291 234 I C -0.219 175.895 176.117 -0.005 0.000 1.010 234 I CA -0.666 60.632 61.300 -0.004 0.000 1.308 234 I CB 0.744 38.741 38.000 -0.005 0.000 1.400 234 I HN 0.541 nan 8.210 nan 0.000 0.488 235 I N 6.100 126.667 120.570 -0.005 0.000 2.339 235 I HA 0.395 4.565 4.170 -0.001 0.000 0.290 235 I C 0.746 176.859 176.117 -0.006 0.000 0.994 235 I CA -0.139 61.158 61.300 -0.005 0.000 1.191 235 I CB 0.815 38.812 38.000 -0.004 0.000 1.343 235 I HN 0.649 nan 8.210 nan 0.000 0.458 236 A N 6.979 129.795 122.820 -0.007 0.000 3.272 236 A HA 0.249 4.568 4.320 -0.001 0.000 0.201 236 A C 0.710 178.287 177.584 -0.012 0.000 2.039 236 A CA 0.214 52.245 52.037 -0.010 0.000 0.955 236 A CB -0.089 18.906 19.000 -0.010 0.000 1.292 236 A HN 0.719 nan 8.150 nan 0.000 0.453 237 Q N -0.935 118.856 119.800 -0.014 0.000 2.221 237 Q HA 0.521 4.861 4.340 -0.001 0.000 0.242 237 Q C -0.711 175.281 176.000 -0.013 0.000 0.940 237 Q CA -0.263 55.529 55.803 -0.018 0.000 0.896 237 Q CB 1.440 30.164 28.738 -0.025 0.000 1.226 237 Q HN 0.540 nan 8.270 nan 0.000 0.463 238 T N -0.071 114.474 114.554 -0.015 0.000 2.916 238 T HA 0.433 4.782 4.350 -0.001 0.000 0.292 238 T C -1.033 173.665 174.700 -0.004 0.000 1.064 238 T CA -0.752 61.345 62.100 -0.005 0.000 1.011 238 T CB 1.248 70.117 68.868 0.001 0.000 1.152 238 T HN 0.477 nan 8.240 nan 0.000 0.510 239 R N 2.430 122.942 120.500 0.019 0.000 2.347 239 R HA 0.411 4.751 4.340 -0.001 0.000 0.304 239 R C -0.160 176.186 176.300 0.076 0.000 1.072 239 R CA -0.294 55.835 56.100 0.049 0.000 0.980 239 R CB 0.088 30.437 30.300 0.082 0.000 0.986 239 R HN 0.547 nan 8.270 nan 0.000 0.448 240 L N 2.706 123.955 121.223 0.044 0.000 2.499 240 L HA -0.034 4.305 4.340 -0.001 0.000 0.273 240 L C 1.643 178.711 176.870 0.330 0.000 1.195 240 L CA 0.398 55.273 54.840 0.058 0.000 0.882 240 L CB 0.834 42.738 42.059 -0.259 0.000 1.133 240 L HN 0.741 nan 8.230 nan 0.000 0.483 241 T N -0.138 114.577 114.554 0.268 0.000 3.037 241 T HA 0.073 4.422 4.350 -0.001 0.000 0.252 241 T C 0.693 175.622 174.700 0.382 0.000 1.073 241 T CA 0.597 62.884 62.100 0.313 0.000 1.091 241 T CB 0.178 69.139 68.868 0.156 0.000 0.935 241 T HN 0.764 nan 8.240 nan 0.000 0.488 242 S N -0.983 114.901 115.700 0.307 0.000 2.667 242 S HA 0.431 4.901 4.470 -0.001 0.000 0.292 242 S C 1.047 175.752 174.600 0.176 0.000 1.126 242 S CA -0.073 58.257 58.200 0.215 0.000 0.881 242 S CB 0.998 64.277 63.200 0.132 0.000 1.132 242 S HN -0.016 nan 8.310 nan 0.000 0.492 243 T N -0.428 114.154 114.554 0.046 0.000 2.881 243 T HA -0.122 4.228 4.350 -0.001 0.000 0.270 243 T C 1.426 176.161 174.700 0.057 0.000 1.068 243 T CA 1.836 63.922 62.100 -0.023 0.000 1.131 243 T CB -0.596 68.230 68.868 -0.071 0.000 0.871 243 T HN 0.661 nan 8.240 nan 0.000 0.479 244 E N 0.606 120.846 120.200 0.066 0.000 2.076 244 E HA -0.102 4.248 4.350 -0.001 0.000 0.190 244 E C 1.995 178.631 176.600 0.060 0.000 0.979 244 E CA 1.112 57.544 56.400 0.054 0.000 0.807 244 E CB -0.171 29.553 29.700 0.040 0.000 0.761 244 E HN 0.666 nan 8.360 nan 0.000 0.454 245 E N -0.706 119.542 120.200 0.080 0.000 2.150 245 E HA -0.122 4.227 4.350 -0.001 0.000 0.193 245 E C 1.762 178.344 176.600 -0.030 0.000 0.985 245 E CA 0.753 57.168 56.400 0.025 0.000 0.814 245 E CB -0.122 29.594 29.700 0.026 0.000 0.752 245 E HN 0.222 nan 8.360 nan 0.000 0.466 246 F N -0.090 119.812 119.950 -0.081 0.000 2.325 246 F HA 0.005 4.531 4.527 -0.001 0.000 0.299 246 F C 2.267 178.014 175.800 -0.088 0.000 1.090 246 F CA 1.063 58.997 58.000 -0.110 0.000 1.392 246 F CB -0.292 38.600 39.000 -0.180 0.000 1.053 246 F HN 0.062 nan 8.300 nan 0.000 0.521 247 G N -0.507 108.349 108.800 0.092 0.000 2.422 247 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.218 247 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.218 247 G C 1.580 176.475 174.900 -0.008 0.000 1.140 247 G CA 0.321 45.442 45.100 0.034 0.000 0.775 247 G HN 0.245 nan 8.290 nan 0.000 0.545 248 K N -0.035 120.351 120.400 -0.024 0.000 2.458 248 K HA 0.242 4.562 4.320 -0.001 0.000 0.194 248 K C 0.124 176.681 176.600 -0.072 0.000 1.024 248 K CA -0.336 55.924 56.287 -0.045 0.000 1.108 248 K CB 0.207 32.683 32.500 -0.039 0.000 0.846 248 K HN 0.304 nan 8.250 nan 0.000 0.518 249 I N 2.711 123.228 120.570 -0.089 0.000 2.578 249 I HA -0.073 4.097 4.170 -0.001 0.000 0.286 249 I C 0.181 176.247 176.117 -0.086 0.000 1.126 249 I CA -0.389 60.845 61.300 -0.111 0.000 1.380 249 I CB 0.096 38.010 38.000 -0.145 0.000 1.408 249 I HN 0.004 nan 8.210 nan 0.000 0.532 250 L N 7.876 129.050 121.223 -0.082 0.000 2.426 250 L HA 0.123 4.462 4.340 -0.001 0.000 0.271 250 L C 0.555 177.381 176.870 -0.072 0.000 1.169 250 L CA 0.674 55.468 54.840 -0.076 0.000 0.836 250 L CB 0.632 42.652 42.059 -0.065 0.000 1.112 250 L HN 0.572 nan 8.230 nan 0.000 0.465 251 L N 3.237 124.411 121.223 -0.082 0.000 2.435 251 L HA 0.291 4.630 4.340 -0.001 0.000 0.195 251 L C 0.332 177.169 176.870 -0.056 0.000 1.072 251 L CA 0.108 54.907 54.840 -0.068 0.000 0.833 251 L CB -0.286 41.723 42.059 -0.082 0.000 1.081 251 L HN 0.694 nan 8.230 nan 0.000 0.485 252 K N -0.852 119.504 120.400 -0.072 0.000 2.533 252 K HA 0.427 4.746 4.320 -0.001 0.000 0.284 252 K C -0.066 176.504 176.600 -0.050 0.000 1.025 252 K CA -0.429 55.831 56.287 -0.046 0.000 0.900 252 K CB 1.958 34.446 32.500 -0.021 0.000 1.519 252 K HN -0.187 nan 8.250 nan 0.000 0.432 253 V N -2.848 117.051 119.914 -0.025 0.000 3.621 253 V HA 0.288 4.407 4.120 -0.001 0.000 0.263 253 V C -0.035 176.058 176.094 -0.002 0.000 1.272 253 V CA 0.425 62.713 62.300 -0.020 0.000 1.080 253 V CB -1.418 30.396 31.823 -0.015 0.000 0.816 253 V HN 0.999 nan 8.190 nan 0.000 0.451 254 N N 0.720 119.428 118.700 0.014 0.000 5.071 254 N HA -0.190 4.550 4.740 -0.001 0.000 0.359 254 N C -0.499 175.025 175.510 0.024 0.000 1.477 254 N CA 0.696 53.767 53.050 0.035 0.000 2.762 254 N CB -0.224 38.299 38.487 0.059 0.000 0.485 254 N HN 0.413 nan 8.380 nan 0.000 0.771 255 Q N 1.632 121.447 119.800 0.026 0.000 2.835 255 Q HA 0.178 4.517 4.340 -0.001 0.000 0.235 255 Q C -0.527 175.483 176.000 0.016 0.000 1.313 255 Q CA 0.648 56.461 55.803 0.017 0.000 1.053 255 Q CB 0.280 29.026 28.738 0.014 0.000 1.443 255 Q HN 0.688 nan 8.270 nan 0.000 0.576 256 D N -0.112 120.297 120.400 0.015 0.000 1.974 256 D HA 0.059 4.698 4.640 -0.001 0.000 0.164 256 D C 0.721 177.028 176.300 0.012 0.000 1.481 256 D CA 1.188 55.197 54.000 0.015 0.000 0.943 256 D CB -0.434 40.380 40.800 0.023 0.000 2.977 256 D HN 0.369 nan 8.370 nan 0.000 0.214 257 G N 0.213 109.022 108.800 0.015 0.000 3.578 257 G HA2 0.071 4.031 3.960 -0.001 0.000 0.220 257 G HA3 0.071 4.031 3.960 -0.001 0.000 0.220 257 G C -0.149 174.756 174.900 0.008 0.000 0.933 257 G CA 0.442 45.547 45.100 0.008 0.000 0.847 257 G HN 0.536 nan 8.290 nan 0.000 0.612 258 S N 0.995 116.708 115.700 0.021 0.000 2.488 258 S HA 0.565 5.035 4.470 -0.001 0.000 0.278 258 S C 0.646 175.243 174.600 -0.006 0.000 1.259 258 S CA -0.221 57.993 58.200 0.024 0.000 1.061 258 S CB 0.328 63.569 63.200 0.069 0.000 0.910 258 S HN 0.374 nan 8.310 nan 0.000 0.491 259 R N 3.162 123.641 120.500 -0.035 0.000 2.297 259 R HA 0.465 4.805 4.340 -0.001 0.000 0.308 259 R C -1.000 175.209 176.300 -0.152 0.000 1.029 259 R CA -0.543 55.513 56.100 -0.075 0.000 0.929 259 R CB 1.287 31.552 30.300 -0.059 0.000 1.046 259 R HN 0.435 nan 8.270 nan 0.000 0.461 260 V N 5.848 125.633 119.914 -0.215 0.000 2.347 260 V HA 0.384 4.503 4.120 -0.001 0.000 0.280 260 V C -0.698 175.252 176.094 -0.240 0.000 1.021 260 V CA -0.827 61.248 62.300 -0.375 0.000 0.847 260 V CB 0.867 32.349 31.823 -0.569 0.000 0.990 260 V HN 0.487 nan 8.190 nan 0.000 0.444 261 L N 3.637 124.735 121.223 -0.209 0.000 2.388 261 L HA 0.642 4.982 4.340 -0.001 0.000 0.264 261 L C 0.528 177.334 176.870 -0.108 0.000 0.998 261 L CA -0.807 53.955 54.840 -0.130 0.000 0.817 261 L CB 1.478 43.482 42.059 -0.092 0.000 1.338 261 L HN 0.497 nan 8.230 nan 0.000 0.414 262 L N -1.308 119.875 121.223 -0.067 0.000 2.721 262 L HA 0.157 4.497 4.340 -0.001 0.000 0.241 262 L C 2.134 178.998 176.870 -0.010 0.000 1.168 262 L CA 0.831 55.651 54.840 -0.032 0.000 0.866 262 L CB -0.614 41.442 42.059 -0.005 0.000 0.996 262 L HN 0.932 nan 8.230 nan 0.000 0.451 263 R N 0.242 120.731 120.500 -0.019 0.000 2.092 263 R HA -0.139 4.201 4.340 -0.001 0.000 0.231 263 R C 1.339 177.639 176.300 0.000 0.000 1.119 263 R CA 1.899 57.997 56.100 -0.002 0.000 0.970 263 R CB -0.128 30.167 30.300 -0.008 0.000 0.864 263 R HN 0.537 nan 8.270 nan 0.000 0.440 264 D N -0.197 120.185 120.400 -0.029 0.000 2.149 264 D HA -0.103 4.537 4.640 -0.001 0.000 0.206 264 D C 1.794 178.105 176.300 0.018 0.000 0.967 264 D CA 0.851 54.843 54.000 -0.015 0.000 0.848 264 D CB -0.164 40.590 40.800 -0.077 0.000 0.998 264 D HN 0.087 nan 8.370 nan 0.000 0.474 265 V N 0.262 120.167 119.914 -0.016 0.000 2.871 265 V HA 0.131 4.251 4.120 -0.001 0.000 0.256 265 V C 0.586 176.711 176.094 0.051 0.000 1.082 265 V CA 0.972 63.290 62.300 0.031 0.000 1.105 265 V CB -0.079 31.746 31.823 0.003 0.000 0.713 265 V HN 0.189 nan 8.190 nan 0.000 0.473 266 A N -0.527 122.324 122.820 0.051 0.000 2.566 266 A HA 0.641 4.960 4.320 -0.001 0.000 0.292 266 A C -0.668 176.973 177.584 0.095 0.000 1.112 266 A CA -0.751 51.336 52.037 0.083 0.000 0.707 266 A CB 1.359 20.399 19.000 0.068 0.000 1.302 266 A HN 0.134 nan 8.150 nan 0.000 0.409 267 K N 1.314 121.808 120.400 0.157 0.000 2.240 267 K HA 0.630 4.949 4.320 -0.001 0.000 0.271 267 K C -1.499 175.209 176.600 0.179 0.000 1.018 267 K CA -0.254 56.139 56.287 0.177 0.000 0.874 267 K CB 0.420 33.055 32.500 0.225 0.000 1.098 267 K HN 0.566 nan 8.250 nan 0.000 0.458 268 I N 4.914 125.539 120.570 0.091 0.000 2.362 268 I HA 0.214 4.384 4.170 -0.001 0.000 0.289 268 I C -0.335 175.796 176.117 0.023 0.000 0.994 268 I CA -0.421 60.880 61.300 0.003 0.000 1.158 268 I CB 1.500 39.480 38.000 -0.034 0.000 1.315 268 I HN 0.642 nan 8.210 nan 0.000 0.451 269 E N 6.073 126.284 120.200 0.019 0.000 2.367 269 E HA 0.487 4.837 4.350 -0.001 0.000 0.273 269 E C -1.359 175.197 176.600 -0.074 0.000 0.903 269 E CA -1.103 55.317 56.400 0.033 0.000 0.764 269 E CB 2.516 32.322 29.700 0.176 0.000 1.252 269 E HN 0.366 nan 8.360 nan 0.000 0.446 270 L N 2.603 123.733 121.223 -0.155 0.000 2.356 270 L HA 0.508 4.848 4.340 -0.001 0.000 0.282 270 L C -0.236 176.376 176.870 -0.429 0.000 1.132 270 L CA 0.421 55.053 54.840 -0.346 0.000 0.923 270 L CB 0.144 41.934 42.059 -0.447 0.000 1.278 270 L HN 0.725 nan 8.230 nan 0.000 0.436 271 G N 2.142 110.892 108.800 -0.084 0.000 2.816 271 G HA2 0.595 4.555 3.960 -0.001 0.000 0.288 271 G HA3 0.595 4.555 3.960 -0.001 0.000 0.288 271 G C -0.399 174.728 174.900 0.379 0.000 1.334 271 G CA -0.507 44.741 45.100 0.248 0.000 0.978 271 G HN 0.675 nan 8.290 nan 0.000 0.493 272 G N -1.054 107.889 108.800 0.237 0.000 2.544 272 G HA2 0.370 4.330 3.960 -0.001 0.000 0.242 272 G HA3 0.370 4.330 3.960 -0.001 0.000 0.242 272 G C 0.869 175.705 174.900 -0.106 0.000 1.247 272 G CA 0.506 45.599 45.100 -0.011 0.000 0.840 272 G HN 0.759 nan 8.290 nan 0.000 0.578 273 E N 0.345 120.526 120.200 -0.032 0.000 2.208 273 E HA -0.101 4.248 4.350 -0.001 0.000 0.193 273 E C 0.565 177.039 176.600 -0.210 0.000 0.988 273 E CA 0.680 57.051 56.400 -0.048 0.000 0.828 273 E CB -0.126 29.641 29.700 0.112 0.000 0.763 273 E HN 0.595 nan 8.360 nan 0.000 0.478 274 N N -0.601 117.975 118.700 -0.207 0.000 2.229 274 N HA 0.072 4.811 4.740 -0.001 0.000 0.298 274 N C -1.487 173.883 175.510 -0.233 0.000 1.114 274 N CA -0.768 52.203 53.050 -0.132 0.000 0.776 274 N CB 1.136 39.577 38.487 -0.077 0.000 1.501 274 N HN -0.030 nan 8.380 nan 0.000 0.474 275 Y N 0.308 120.632 120.300 0.039 0.000 2.669 275 Y HA 0.267 4.816 4.550 -0.001 0.000 0.302 275 Y C -0.138 175.779 175.900 0.029 0.000 1.000 275 Y CA -0.475 57.653 58.100 0.046 0.000 1.222 275 Y CB 0.489 38.980 38.460 0.053 0.000 1.209 275 Y HN 0.573 nan 8.280 nan 0.000 0.571 276 D N 0.511 120.974 120.400 0.105 0.000 2.269 276 D HA 0.059 4.698 4.640 -0.001 0.000 0.220 276 D C 0.353 176.697 176.300 0.073 0.000 0.962 276 D CA 0.647 54.694 54.000 0.078 0.000 0.884 276 D CB 0.551 41.378 40.800 0.045 0.000 1.023 276 D HN 0.360 nan 8.370 nan 0.000 0.484 277 I N 0.001 120.613 120.570 0.070 0.000 2.460 277 I HA 0.477 4.646 4.170 -0.001 0.000 0.298 277 I C -0.987 175.174 176.117 0.073 0.000 0.989 277 I CA -1.033 60.326 61.300 0.099 0.000 1.173 277 I CB 1.393 39.496 38.000 0.173 0.000 1.338 277 I HN -0.002 nan 8.210 nan 0.000 0.456 278 I N 3.559 124.158 120.570 0.048 0.000 2.769 278 I HA 0.962 5.131 4.170 -0.001 0.000 0.298 278 I C -0.821 175.243 176.117 -0.088 0.000 1.128 278 I CA -1.085 60.213 61.300 -0.003 0.000 1.031 278 I CB 2.079 40.074 38.000 -0.009 0.000 1.235 278 I HN 0.813 nan 8.210 nan 0.000 0.423 279 A N 3.426 126.153 122.820 -0.154 0.000 2.343 279 A HA 0.818 5.138 4.320 -0.001 0.000 0.316 279 A C -0.961 176.403 177.584 -0.366 0.000 1.104 279 A CA -0.439 51.356 52.037 -0.403 0.000 0.768 279 A CB 1.236 19.925 19.000 -0.518 0.000 1.213 279 A HN 0.743 nan 8.150 nan 0.000 0.456 280 E N 1.132 121.063 120.200 -0.448 0.000 2.186 280 E HA 0.390 4.739 4.350 -0.001 0.000 0.255 280 E C -1.495 174.943 176.600 -0.270 0.000 0.881 280 E CA -0.122 56.115 56.400 -0.271 0.000 0.752 280 E CB 1.315 30.901 29.700 -0.190 0.000 1.176 280 E HN 0.488 nan 8.360 nan 0.000 0.421 281 F N 4.243 124.040 119.950 -0.255 0.000 2.390 281 F HA 0.266 4.793 4.527 -0.001 0.000 0.361 281 F C 0.346 176.114 175.800 -0.053 0.000 1.124 281 F CA -0.485 57.464 58.000 -0.086 0.000 1.149 281 F CB 0.266 39.308 39.000 0.070 0.000 1.160 281 F HN 0.422 nan 8.300 nan 0.000 0.501 282 N N 4.193 122.579 118.700 -0.523 0.000 2.714 282 N HA -0.225 4.515 4.740 -0.001 0.000 0.250 282 N C 1.043 176.452 175.510 -0.169 0.000 1.117 282 N CA 1.323 54.145 53.050 -0.381 0.000 0.719 282 N CB -1.350 36.869 38.487 -0.447 0.000 1.081 282 N HN 1.211 nan 8.380 nan 0.000 0.557 283 G N -0.552 108.169 108.800 -0.131 0.000 2.336 283 G HA2 -0.376 3.583 3.960 -0.001 0.000 0.233 283 G HA3 -0.376 3.583 3.960 -0.001 0.000 0.233 283 G C -0.084 174.787 174.900 -0.048 0.000 1.053 283 G CA 0.559 45.615 45.100 -0.074 0.000 0.625 283 G HN 0.623 nan 8.290 nan 0.000 0.511 284 Q N 2.685 122.472 119.800 -0.022 0.000 2.313 284 Q HA 0.419 4.758 4.340 -0.001 0.000 0.266 284 Q C -2.046 173.962 176.000 0.013 0.000 0.989 284 Q CA -1.585 54.226 55.803 0.014 0.000 0.890 284 Q CB 0.935 29.709 28.738 0.060 0.000 1.200 284 Q HN 0.312 nan 8.270 nan 0.000 0.396 285 P HA 0.013 nan 4.420 nan 0.000 0.264 285 P C -1.438 175.855 177.300 -0.012 0.000 1.193 285 P CA 0.353 63.440 63.100 -0.022 0.000 0.763 285 P CB 0.897 32.589 31.700 -0.013 0.000 0.810 286 A N 2.407 125.204 122.820 -0.037 0.000 2.588 286 A HA 0.725 5.044 4.320 -0.001 0.000 0.290 286 A C -1.038 176.537 177.584 -0.016 0.000 1.136 286 A CA -0.545 51.481 52.037 -0.018 0.000 0.681 286 A CB 1.510 20.534 19.000 0.039 0.000 1.282 286 A HN 0.435 nan 8.150 nan 0.000 0.421 287 S N -0.774 114.950 115.700 0.040 0.000 2.720 287 S HA 0.616 5.085 4.470 -0.001 0.000 0.278 287 S C -0.169 174.536 174.600 0.176 0.000 1.172 287 S CA 0.249 58.517 58.200 0.113 0.000 1.019 287 S CB 0.740 63.978 63.200 0.064 0.000 1.049 287 S HN 1.933 nan 8.310 nan 0.000 0.483 288 G N 2.450 111.471 108.800 0.369 0.000 2.461 288 G HA2 0.660 4.620 3.960 -0.001 0.000 0.329 288 G HA3 0.660 4.620 3.960 -0.001 0.000 0.329 288 G C -1.054 174.055 174.900 0.348 0.000 1.170 288 G CA -0.746 44.501 45.100 0.246 0.000 0.935 288 G HN 0.710 nan 8.290 nan 0.000 0.492 289 L N 1.890 123.197 121.223 0.140 0.000 2.371 289 L HA 0.335 4.674 4.340 -0.001 0.000 0.262 289 L C 0.997 177.910 176.870 0.073 0.000 1.054 289 L CA -0.713 54.193 54.840 0.109 0.000 0.924 289 L CB 1.141 43.225 42.059 0.041 0.000 1.295 289 L HN 0.642 nan 8.230 nan 0.000 0.441 290 G N 4.204 113.071 108.800 0.111 0.000 2.588 290 G HA2 0.294 4.254 3.960 -0.001 0.000 0.297 290 G HA3 0.294 4.254 3.960 -0.001 0.000 0.297 290 G C 0.064 174.990 174.900 0.044 0.000 0.874 290 G CA -0.301 44.728 45.100 -0.117 0.000 1.607 290 G HN 0.462 nan 8.290 nan 0.000 0.486 291 I N 1.757 122.403 120.570 0.126 0.000 2.452 291 I HA 0.150 4.319 4.170 -0.001 0.000 0.287 291 I C 0.744 177.065 176.117 0.341 0.000 1.079 291 I CA 0.021 61.441 61.300 0.200 0.000 1.387 291 I CB 1.018 39.094 38.000 0.128 0.000 1.404 291 I HN 0.268 nan 8.210 nan 0.000 0.522 292 K N 7.113 127.683 120.400 0.283 0.000 2.159 292 K HA 0.381 4.701 4.320 -0.001 0.000 0.266 292 K C -0.552 176.091 176.600 0.072 0.000 0.975 292 K CA -0.759 55.606 56.287 0.130 0.000 0.865 292 K CB 1.118 33.621 32.500 0.005 0.000 1.087 292 K HN 0.470 nan 8.250 nan 0.000 0.446 293 L N 3.437 124.687 121.223 0.045 0.000 2.473 293 L HA 0.153 4.493 4.340 -0.001 0.000 0.268 293 L C 0.617 177.508 176.870 0.036 0.000 1.215 293 L CA 0.598 55.471 54.840 0.054 0.000 0.823 293 L CB 0.926 43.025 42.059 0.067 0.000 1.099 293 L HN 1.031 nan 8.230 nan 0.000 0.483 294 A N 3.613 126.457 122.820 0.040 0.000 3.037 294 A HA 0.347 4.666 4.320 -0.001 0.000 0.177 294 A C 0.064 177.665 177.584 0.029 0.000 2.075 294 A CA 0.159 52.214 52.037 0.030 0.000 0.991 294 A CB -0.209 18.807 19.000 0.027 0.000 1.893 294 A HN 0.748 nan 8.150 nan 0.000 0.828 295 T N -0.473 114.095 114.554 0.024 0.000 2.965 295 T HA 0.539 4.889 4.350 -0.001 0.000 0.306 295 T C 0.174 174.889 174.700 0.025 0.000 0.991 295 T CA 0.468 62.583 62.100 0.025 0.000 1.001 295 T CB 0.903 69.780 68.868 0.016 0.000 0.984 295 T HN 2.080 nan 8.240 nan 0.000 0.446 296 G N 2.256 111.078 108.800 0.038 0.000 2.272 296 G HA2 -0.032 3.927 3.960 -0.001 0.000 0.280 296 G HA3 -0.032 3.927 3.960 -0.001 0.000 0.280 296 G C 0.524 175.448 174.900 0.039 0.000 1.067 296 G CA 0.270 45.394 45.100 0.041 0.000 0.902 296 G HN 1.050 nan 8.290 nan 0.000 0.500 297 A N 0.351 123.198 122.820 0.045 0.000 3.720 297 A HA 0.646 4.966 4.320 -0.001 0.000 0.157 297 A C 1.548 179.158 177.584 0.042 0.000 1.736 297 A CA 1.019 53.080 52.037 0.040 0.000 1.289 297 A CB 0.141 19.167 19.000 0.043 0.000 1.598 297 A HN 0.879 nan 8.150 nan 0.000 0.692 298 N N -1.344 117.381 118.700 0.043 0.000 2.082 298 N HA 0.332 5.072 4.740 -0.001 0.000 0.228 298 N C 0.843 176.373 175.510 0.034 0.000 1.341 298 N CA 0.862 53.934 53.050 0.037 0.000 0.873 298 N CB 0.875 39.380 38.487 0.029 0.000 1.137 298 N HN 1.030 nan 8.380 nan 0.000 0.505 299 A N 2.164 125.010 122.820 0.044 0.000 5.023 299 A HA -0.358 3.962 4.320 -0.001 0.000 0.346 299 A C 1.417 179.019 177.584 0.029 0.000 1.724 299 A CA 2.023 54.084 52.037 0.040 0.000 0.700 299 A CB -1.677 17.336 19.000 0.022 0.000 1.464 299 A HN 0.245 nan 8.150 nan 0.000 0.404 300 L N 0.273 121.501 121.223 0.009 0.000 2.201 300 L HA 0.026 4.365 4.340 -0.001 0.000 0.212 300 L C 1.811 178.686 176.870 0.008 0.000 1.105 300 L CA 3.083 57.926 54.840 0.004 0.000 0.775 300 L CB -0.751 41.298 42.059 -0.017 0.000 0.913 300 L HN 0.683 nan 8.230 nan 0.000 0.440 301 D N -1.993 118.414 120.400 0.011 0.000 2.224 301 D HA -0.130 4.510 4.640 -0.001 0.000 0.205 301 D C 1.851 178.164 176.300 0.022 0.000 0.965 301 D CA 1.224 55.232 54.000 0.013 0.000 0.852 301 D CB 0.301 41.109 40.800 0.014 0.000 0.947 301 D HN 0.331 nan 8.370 nan 0.000 0.494 302 T N -0.883 113.689 114.554 0.030 0.000 2.770 302 T HA 0.018 4.367 4.350 -0.001 0.000 0.258 302 T C 1.899 176.625 174.700 0.044 0.000 1.039 302 T CA 1.195 63.318 62.100 0.039 0.000 1.143 302 T CB -0.337 68.559 68.868 0.048 0.000 0.866 302 T HN 0.178 nan 8.240 nan 0.000 0.428 303 A N 1.139 123.987 122.820 0.047 0.000 2.121 303 A HA 0.328 4.647 4.320 -0.001 0.000 0.218 303 A C 2.444 180.052 177.584 0.040 0.000 1.154 303 A CA 1.416 53.485 52.037 0.053 0.000 0.679 303 A CB -0.734 18.300 19.000 0.057 0.000 0.795 303 A HN 0.478 nan 8.150 nan 0.000 0.458 304 A N -0.647 122.189 122.820 0.027 0.000 2.066 304 A HA 0.313 4.633 4.320 -0.001 0.000 0.218 304 A C 2.154 179.753 177.584 0.025 0.000 1.157 304 A CA 1.630 53.678 52.037 0.018 0.000 0.670 304 A CB -0.407 18.598 19.000 0.008 0.000 0.804 304 A HN 0.965 nan 8.150 nan 0.000 0.453 305 A N -1.360 121.479 122.820 0.031 0.000 2.197 305 A HA 0.371 4.690 4.320 -0.001 0.000 0.210 305 A C 1.677 179.286 177.584 0.043 0.000 1.180 305 A CA 0.336 52.393 52.037 0.033 0.000 0.846 305 A CB -0.239 18.777 19.000 0.027 0.000 0.884 305 A HN 0.297 nan 8.150 nan 0.000 0.487 306 I N 0.221 120.823 120.570 0.053 0.000 2.286 306 I HA -0.172 3.997 4.170 -0.001 0.000 0.248 306 I C 2.425 178.589 176.117 0.078 0.000 1.115 306 I CA 1.499 62.839 61.300 0.066 0.000 1.392 306 I CB -0.153 37.893 38.000 0.077 0.000 1.065 306 I HN 0.369 nan 8.210 nan 0.000 0.418 307 R N 1.208 121.757 120.500 0.082 0.000 2.092 307 R HA -0.017 4.322 4.340 -0.001 0.000 0.231 307 R C 2.118 178.461 176.300 0.071 0.000 1.119 307 R CA 1.760 57.918 56.100 0.096 0.000 0.970 307 R CB -0.798 29.554 30.300 0.087 0.000 0.864 307 R HN 0.284 nan 8.270 nan 0.000 0.440 308 A N 0.163 123.014 122.820 0.051 0.000 1.972 308 A HA -0.136 4.184 4.320 -0.001 0.000 0.219 308 A C 2.071 179.679 177.584 0.039 0.000 1.169 308 A CA 1.702 53.761 52.037 0.038 0.000 0.635 308 A CB -0.525 18.492 19.000 0.028 0.000 0.810 308 A HN 0.488 nan 8.150 nan 0.000 0.446 309 E N -0.182 120.045 120.200 0.044 0.000 2.072 309 E HA -0.072 4.277 4.350 -0.001 0.000 0.190 309 E C 1.819 178.450 176.600 0.052 0.000 0.982 309 E CA 1.013 57.438 56.400 0.042 0.000 0.803 309 E CB -0.340 29.384 29.700 0.040 0.000 0.755 309 E HN 0.521 nan 8.360 nan 0.000 0.453 310 L N -0.350 120.915 121.223 0.069 0.000 2.201 310 L HA 0.024 4.364 4.340 -0.001 0.000 0.212 310 L C 2.105 179.023 176.870 0.079 0.000 1.105 310 L CA 1.315 56.210 54.840 0.092 0.000 0.775 310 L CB -0.271 41.853 42.059 0.107 0.000 0.913 310 L HN 0.229 nan 8.230 nan 0.000 0.440 311 A N -0.283 122.573 122.820 0.059 0.000 1.972 311 A HA -0.205 4.115 4.320 -0.001 0.000 0.219 311 A C 2.244 179.828 177.584 0.001 0.000 1.169 311 A CA 1.660 53.720 52.037 0.037 0.000 0.635 311 A CB -0.336 18.684 19.000 0.034 0.000 0.810 311 A HN 0.467 nan 8.150 nan 0.000 0.446 312 K N -1.587 118.818 120.400 0.008 0.000 2.418 312 K HA 0.157 4.477 4.320 -0.001 0.000 0.195 312 K C 1.287 177.885 176.600 -0.002 0.000 1.035 312 K CA 0.624 56.916 56.287 0.009 0.000 1.003 312 K CB -0.006 32.517 32.500 0.040 0.000 0.793 312 K HN 0.383 nan 8.250 nan 0.000 0.494 313 M N 0.242 119.803 119.600 -0.065 0.000 2.541 313 M HA -0.012 4.467 4.480 -0.001 0.000 0.252 313 M C 1.449 177.271 176.300 -0.796 0.000 1.125 313 M CA 0.829 55.979 55.300 -0.249 0.000 1.091 313 M CB 0.272 32.829 32.600 -0.070 0.000 1.420 313 M HN -0.029 nan 8.290 nan 0.000 0.486 314 E N 0.920 120.871 120.200 -0.414 0.000 2.086 314 E HA -0.214 4.135 4.350 -0.001 0.000 0.205 314 E C -0.830 175.509 176.600 -0.435 0.000 1.027 314 E CA 2.144 58.351 56.400 -0.321 0.000 0.830 314 E CB -0.824 28.814 29.700 -0.103 0.000 0.751 314 E HN 0.341 nan 8.360 nan 0.000 0.456 315 P HA -0.018 nan 4.420 nan 0.000 0.234 315 P C 0.340 177.335 177.300 -0.508 0.000 1.175 315 P CA 0.808 63.613 63.100 -0.492 0.000 0.801 315 P CB 0.057 31.370 31.700 -0.646 0.000 0.891 316 F N -0.944 118.850 119.950 -0.260 0.000 2.725 316 F HA 0.187 4.714 4.527 -0.001 0.000 0.303 316 F C 0.627 176.467 175.800 0.067 0.000 1.167 316 F CA -0.373 57.563 58.000 -0.107 0.000 1.403 316 F CB -0.586 38.356 39.000 -0.098 0.000 1.077 316 F HN -0.258 nan 8.300 nan 0.000 0.537 317 F N 1.756 121.817 119.950 0.186 0.000 2.385 317 F HA 0.364 4.891 4.527 -0.001 0.000 0.336 317 F C -1.119 174.693 175.800 0.021 0.000 1.100 317 F CA -3.617 54.459 58.000 0.126 0.000 1.116 317 F CB -0.033 39.017 39.000 0.082 0.000 1.166 317 F HN -0.160 nan 8.300 nan 0.000 0.511 318 P HA 0.199 nan 4.420 nan 0.000 0.310 318 P C -0.754 176.550 177.300 0.006 0.000 1.399 318 P CA -0.138 62.985 63.100 0.037 0.000 0.849 318 P CB 0.166 31.844 31.700 -0.036 0.000 2.098 319 S N -1.133 114.542 115.700 -0.042 0.000 2.480 319 S HA 0.508 4.977 4.470 -0.001 0.000 0.286 319 S C 0.348 174.907 174.600 -0.068 0.000 1.180 319 S CA 0.198 58.376 58.200 -0.037 0.000 1.075 319 S CB 0.321 63.505 63.200 -0.027 0.000 0.996 319 S HN 0.856 nan 8.310 nan 0.000 0.487 320 G N 2.744 111.514 108.800 -0.051 0.000 2.353 320 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.294 320 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.294 320 G C -0.381 174.451 174.900 -0.113 0.000 1.077 320 G CA -0.410 44.651 45.100 -0.064 0.000 1.098 320 G HN 0.668 nan 8.290 nan 0.000 0.511 321 L N 0.229 121.378 121.223 -0.124 0.000 2.495 321 L HA 0.364 4.703 4.340 -0.001 0.000 0.248 321 L C 0.346 177.119 176.870 -0.162 0.000 1.229 321 L CA -0.872 53.833 54.840 -0.225 0.000 0.942 321 L CB 1.169 42.964 42.059 -0.440 0.000 1.242 321 L HN 0.143 nan 8.230 nan 0.000 0.484 322 K N 2.388 122.708 120.400 -0.134 0.000 2.262 322 K HA 0.452 4.771 4.320 -0.001 0.000 0.282 322 K C -0.425 176.059 176.600 -0.193 0.000 1.066 322 K CA -0.098 56.121 56.287 -0.113 0.000 0.901 322 K CB 0.574 33.026 32.500 -0.080 0.000 1.089 322 K HN 0.318 nan 8.250 nan 0.000 0.476 323 I N 6.258 126.718 120.570 -0.184 0.000 2.337 323 I HA 0.134 4.303 4.170 -0.001 0.000 0.291 323 I C 0.174 176.016 176.117 -0.458 0.000 1.046 323 I CA -0.688 60.432 61.300 -0.299 0.000 1.324 323 I CB 0.559 38.434 38.000 -0.209 0.000 1.409 323 I HN 0.341 nan 8.210 nan 0.000 0.494 324 V N 3.885 123.440 119.914 -0.597 0.000 3.193 324 V HA 0.503 4.622 4.120 -0.001 0.000 0.320 324 V C -1.006 174.618 176.094 -0.783 0.000 1.112 324 V CA -0.740 61.190 62.300 -0.616 0.000 1.026 324 V CB 1.550 32.955 31.823 -0.697 0.000 1.128 324 V HN 0.511 nan 8.190 nan 0.000 0.452 325 Y N 0.812 121.034 120.300 -0.131 0.000 2.748 325 Y HA 0.476 5.026 4.550 -0.001 0.000 0.359 325 Y C -1.819 174.071 175.900 -0.017 0.000 1.030 325 Y CA -1.712 56.338 58.100 -0.084 0.000 1.169 325 Y CB 1.042 39.482 38.460 -0.033 0.000 1.127 325 Y HN 0.511 nan 8.280 nan 0.000 0.644 326 P HA -0.164 nan 4.420 nan 0.000 0.221 326 P C -0.278 177.080 177.300 0.097 0.000 1.150 326 P CA 1.368 64.570 63.100 0.170 0.000 0.800 326 P CB 0.681 32.458 31.700 0.128 0.000 0.787 327 Y N 0.068 120.286 120.300 -0.135 0.000 2.354 327 Y HA 0.577 5.126 4.550 -0.001 0.000 0.330 327 Y C -1.541 174.315 175.900 -0.074 0.000 1.011 327 Y CA -0.978 57.025 58.100 -0.162 0.000 1.099 327 Y CB 1.453 39.656 38.460 -0.430 0.000 1.179 327 Y HN -0.285 nan 8.280 nan 0.000 0.442 328 D N 2.935 123.235 120.400 -0.168 0.000 2.927 328 D HA 0.225 4.864 4.640 -0.001 0.000 0.219 328 D C -0.225 176.003 176.300 -0.120 0.000 1.248 328 D CA -0.176 53.808 54.000 -0.027 0.000 0.861 328 D CB 2.137 42.947 40.800 0.016 0.000 1.677 328 D HN 0.613 nan 8.370 nan 0.000 0.511 329 T N -0.831 113.725 114.554 0.003 0.000 3.084 329 T HA 0.111 4.460 4.350 -0.001 0.000 0.270 329 T C 1.282 176.059 174.700 0.129 0.000 1.008 329 T CA 0.034 62.157 62.100 0.039 0.000 0.900 329 T CB 0.368 69.266 68.868 0.051 0.000 1.084 329 T HN 0.243 nan 8.240 nan 0.000 0.538 330 T N 2.582 117.187 114.554 0.085 0.000 2.978 330 T HA 0.129 4.478 4.350 -0.001 0.000 0.262 330 T C -0.622 174.110 174.700 0.054 0.000 1.063 330 T CA 0.625 62.760 62.100 0.059 0.000 1.140 330 T CB -0.612 68.265 68.868 0.015 0.000 0.886 330 T HN 0.349 nan 8.240 nan 0.000 0.470 331 P HA 0.053 nan 4.420 nan 0.000 0.227 331 P C 1.366 178.737 177.300 0.119 0.000 1.161 331 P CA 0.481 63.620 63.100 0.064 0.000 0.788 331 P CB -0.262 31.482 31.700 0.073 0.000 0.822 332 F N 0.962 120.944 119.950 0.053 0.000 2.186 332 F HA -0.123 4.403 4.527 -0.001 0.000 0.299 332 F C 1.844 177.618 175.800 -0.044 0.000 1.090 332 F CA 1.157 59.187 58.000 0.049 0.000 1.307 332 F CB -0.734 38.343 39.000 0.129 0.000 1.019 332 F HN -0.325 nan 8.300 nan 0.000 0.489 333 V N 1.902 121.761 119.914 -0.093 0.000 2.379 333 V HA -0.266 3.853 4.120 -0.001 0.000 0.245 333 V C 2.256 178.210 176.094 -0.232 0.000 1.044 333 V CA 2.159 64.321 62.300 -0.230 0.000 1.036 333 V CB -0.755 31.043 31.823 -0.041 0.000 0.664 333 V HN 0.464 nan 8.190 nan 0.000 0.453 334 K N -0.024 120.290 120.400 -0.143 0.000 2.574 334 K HA 0.027 4.347 4.320 -0.001 0.000 0.193 334 K C 1.521 178.032 176.600 -0.147 0.000 1.035 334 K CA 1.345 57.554 56.287 -0.129 0.000 0.982 334 K CB -0.193 32.248 32.500 -0.098 0.000 0.795 334 K HN 0.434 nan 8.250 nan 0.000 0.491 335 I N 0.027 120.461 120.570 -0.226 0.000 3.339 335 I HA -0.081 4.089 4.170 -0.001 0.000 0.285 335 I C 2.199 178.141 176.117 -0.291 0.000 1.201 335 I CA 0.112 61.274 61.300 -0.231 0.000 1.434 335 I CB 0.255 38.054 38.000 -0.335 0.000 1.152 335 I HN 0.256 nan 8.210 nan 0.000 0.443 336 S N 1.138 116.580 115.700 -0.430 0.000 2.399 336 S HA -0.135 4.334 4.470 -0.001 0.000 0.231 336 S C 1.961 176.436 174.600 -0.207 0.000 1.022 336 S CA 1.442 59.428 58.200 -0.357 0.000 0.983 336 S CB -0.118 62.827 63.200 -0.426 0.000 0.803 336 S HN 0.249 nan 8.310 nan 0.000 0.480 337 I N 0.667 121.132 120.570 -0.174 0.000 2.353 337 I HA -0.025 4.144 4.170 -0.001 0.000 0.248 337 I C 2.219 178.289 176.117 -0.078 0.000 1.119 337 I CA 1.198 62.425 61.300 -0.123 0.000 1.417 337 I CB -0.461 37.471 38.000 -0.113 0.000 1.078 337 I HN 0.378 nan 8.210 nan 0.000 0.421 338 H N 0.707 119.668 119.070 -0.181 0.000 2.457 338 H HA -0.037 4.518 4.556 -0.001 0.000 0.294 338 H C 1.833 177.065 175.328 -0.161 0.000 1.064 338 H CA 1.391 57.344 56.048 -0.158 0.000 1.330 338 H CB 0.213 29.880 29.762 -0.158 0.000 1.395 338 H HN 0.196 nan 8.280 nan 0.000 0.541 339 E N -0.033 120.018 120.200 -0.248 0.000 2.385 339 E HA -0.028 4.322 4.350 -0.001 0.000 0.194 339 E C 1.966 178.413 176.600 -0.256 0.000 1.013 339 E CA 0.874 57.097 56.400 -0.295 0.000 0.866 339 E CB 0.268 29.812 29.700 -0.260 0.000 0.832 339 E HN 0.540 nan 8.360 nan 0.000 0.500 340 V N -2.323 117.463 119.914 -0.213 0.000 3.649 340 V HA 0.102 4.221 4.120 -0.001 0.000 0.275 340 V C 1.725 177.727 176.094 -0.152 0.000 1.281 340 V CA 0.194 62.382 62.300 -0.188 0.000 1.143 340 V CB 0.135 31.861 31.823 -0.162 0.000 0.892 340 V HN -0.084 nan 8.190 nan 0.000 0.441 341 V N -0.079 119.738 119.914 -0.163 0.000 2.795 341 V HA 0.094 4.214 4.120 -0.001 0.000 0.243 341 V C 2.450 178.444 176.094 -0.167 0.000 1.069 341 V CA 1.526 63.748 62.300 -0.130 0.000 1.089 341 V CB 0.219 31.994 31.823 -0.080 0.000 0.756 341 V HN 0.513 nan 8.190 nan 0.000 0.471 342 K N 0.949 121.195 120.400 -0.258 0.000 2.002 342 K HA -0.066 4.253 4.320 -0.001 0.000 0.209 342 K C 1.009 177.501 176.600 -0.180 0.000 1.048 342 K CA 1.268 57.407 56.287 -0.248 0.000 0.930 342 K CB -0.605 31.697 32.500 -0.330 0.000 0.714 342 K HN 0.480 nan 8.250 nan 0.000 0.438 343 T N 0.994 115.434 114.554 -0.189 0.000 2.898 343 T HA 0.255 4.605 4.350 -0.001 0.000 0.301 343 T C 1.042 175.659 174.700 -0.139 0.000 1.049 343 T CA 0.490 62.490 62.100 -0.167 0.000 1.095 343 T CB 0.983 69.730 68.868 -0.202 0.000 0.976 343 T HN 0.440 nan 8.240 nan 0.000 0.539 344 L N 1.557 122.709 121.223 -0.119 0.000 2.213 344 L HA -0.265 4.075 4.340 -0.001 0.000 0.474 344 L C 1.512 178.340 176.870 -0.071 0.000 0.889 344 L CA 1.374 56.162 54.840 -0.086 0.000 3.341 344 L CB -1.669 40.350 42.059 -0.068 0.000 0.678 344 L HN 0.473 nan 8.230 nan 0.000 0.808 345 V N 1.059 120.927 119.914 -0.077 0.000 2.427 345 V HA -0.169 3.950 4.120 -0.001 0.000 0.248 345 V C 2.484 178.538 176.094 -0.068 0.000 1.051 345 V CA 2.276 64.533 62.300 -0.070 0.000 1.048 345 V CB -0.598 31.180 31.823 -0.076 0.000 0.666 345 V HN 0.543 nan 8.190 nan 0.000 0.456 346 E N 0.428 120.581 120.200 -0.077 0.000 2.077 346 E HA -0.192 4.157 4.350 -0.001 0.000 0.193 346 E C 2.361 178.930 176.600 -0.051 0.000 0.989 346 E CA 1.572 57.932 56.400 -0.066 0.000 0.800 346 E CB -0.501 29.151 29.700 -0.080 0.000 0.746 346 E HN 0.582 nan 8.360 nan 0.000 0.452 347 A N 0.969 123.751 122.820 -0.063 0.000 1.873 347 A HA -0.144 4.175 4.320 -0.001 0.000 0.215 347 A C 2.298 179.872 177.584 -0.016 0.000 1.186 347 A CA 1.113 53.118 52.037 -0.053 0.000 0.616 347 A CB -0.600 18.351 19.000 -0.082 0.000 0.823 347 A HN 0.137 nan 8.150 nan 0.000 0.442 348 I N 0.206 120.764 120.570 -0.019 0.000 2.208 348 I HA -0.242 3.927 4.170 -0.001 0.000 0.245 348 I C 2.176 178.313 176.117 0.034 0.000 1.097 348 I CA 1.118 62.420 61.300 0.004 0.000 1.363 348 I CB -0.161 37.824 38.000 -0.025 0.000 1.051 348 I HN 0.267 nan 8.210 nan 0.000 0.413 349 I N -0.544 120.026 120.570 -0.000 0.000 2.286 349 I HA -0.229 3.941 4.170 -0.001 0.000 0.245 349 I C 2.467 178.642 176.117 0.097 0.000 1.104 349 I CA 1.411 62.723 61.300 0.021 0.000 1.397 349 I CB -1.082 36.900 38.000 -0.029 0.000 1.072 349 I HN 0.230 nan 8.210 nan 0.000 0.417 350 L N 0.167 121.422 121.223 0.053 0.000 2.093 350 L HA -0.152 4.187 4.340 -0.001 0.000 0.208 350 L C 2.449 179.366 176.870 0.079 0.000 1.085 350 L CA 1.090 55.963 54.840 0.055 0.000 0.755 350 L CB -0.055 42.014 42.059 0.018 0.000 0.904 350 L HN -0.076 nan 8.230 nan 0.000 0.435 351 V N -0.755 119.207 119.914 0.081 0.000 2.307 351 V HA -0.299 3.820 4.120 -0.001 0.000 0.245 351 V C 2.200 178.362 176.094 0.114 0.000 1.045 351 V CA 2.002 64.351 62.300 0.082 0.000 1.024 351 V CB -0.743 31.119 31.823 0.066 0.000 0.651 351 V HN 0.481 nan 8.190 nan 0.000 0.449 352 F N 0.036 119.983 119.950 -0.004 0.000 2.184 352 F HA -0.254 4.272 4.527 -0.001 0.000 0.301 352 F C 1.925 177.742 175.800 0.029 0.000 1.076 352 F CA 1.710 59.703 58.000 -0.013 0.000 1.295 352 F CB -0.023 38.947 39.000 -0.050 0.000 1.026 352 F HN 0.058 nan 8.300 nan 0.000 0.494 353 L N -1.249 120.074 121.223 0.166 0.000 2.145 353 L HA -0.072 4.267 4.340 -0.001 0.000 0.201 353 L C 1.823 178.765 176.870 0.120 0.000 1.075 353 L CA 0.396 55.307 54.840 0.119 0.000 0.773 353 L CB -0.469 41.661 42.059 0.118 0.000 0.936 353 L HN -0.217 nan 8.230 nan 0.000 0.451 354 V N 0.312 120.293 119.914 0.112 0.000 3.611 354 V HA -0.067 4.053 4.120 -0.001 0.000 0.281 354 V C 1.622 177.792 176.094 0.128 0.000 1.247 354 V CA 0.725 63.110 62.300 0.141 0.000 1.198 354 V CB -0.399 31.489 31.823 0.109 0.000 0.977 354 V HN 0.398 nan 8.190 nan 0.000 0.445 355 M N -1.996 117.655 119.600 0.086 0.000 2.538 355 M HA 0.201 4.681 4.480 -0.001 0.000 0.259 355 M C 1.757 178.100 176.300 0.072 0.000 1.217 355 M CA 0.705 56.034 55.300 0.048 0.000 1.131 355 M CB -0.427 32.146 32.600 -0.045 0.000 1.382 355 M HN 0.389 nan 8.290 nan 0.000 0.520 356 Y N 0.884 121.150 120.300 -0.057 0.000 2.373 356 Y HA 0.084 4.633 4.550 -0.001 0.000 0.293 356 Y C 0.848 176.789 175.900 0.067 0.000 1.129 356 Y CA 0.798 58.885 58.100 -0.021 0.000 1.226 356 Y CB 0.529 38.955 38.460 -0.058 0.000 1.000 356 Y HN -0.060 nan 8.280 nan 0.000 0.549 357 L N 0.373 121.736 121.223 0.234 0.000 2.292 357 L HA 0.093 4.433 4.340 -0.001 0.000 0.284 357 L C -0.144 176.958 176.870 0.386 0.000 1.065 357 L CA 0.491 55.460 54.840 0.215 0.000 0.806 357 L CB 0.374 42.553 42.059 0.200 0.000 1.175 357 L HN 0.526 nan 8.230 nan 0.000 0.431 358 F N 1.718 121.743 119.950 0.124 0.000 2.502 358 F HA -0.333 4.194 4.527 -0.001 0.000 0.743 358 F C 0.495 176.321 175.800 0.045 0.000 0.486 358 F CA 1.195 59.254 58.000 0.100 0.000 0.860 358 F CB -1.108 37.921 39.000 0.049 0.000 1.686 358 F HN 0.386 nan 8.300 nan 0.000 0.276 359 L N 0.962 122.302 121.223 0.194 0.000 2.892 359 L HA 0.472 4.811 4.340 -0.001 0.000 0.251 359 L C 0.141 176.975 176.870 -0.061 0.000 1.339 359 L CA -0.465 54.395 54.840 0.033 0.000 0.900 359 L CB 0.384 42.458 42.059 0.024 0.000 1.246 359 L HN 0.287 nan 8.230 nan 0.000 0.524 360 Q N -0.005 119.739 119.800 -0.093 0.000 2.304 360 Q HA 0.308 4.648 4.340 -0.001 0.000 0.315 360 Q C -0.548 175.235 176.000 -0.361 0.000 1.075 360 Q CA 0.589 56.183 55.803 -0.348 0.000 0.988 360 Q CB 0.283 28.870 28.738 -0.252 0.000 1.146 360 Q HN 0.559 nan 8.270 nan 0.000 0.383 361 N N 1.516 119.884 118.700 -0.554 0.000 7.486 361 N HA -0.079 4.661 4.740 -0.001 0.000 0.083 361 N C -1.106 174.442 175.510 0.064 0.000 0.890 361 N CA -0.327 52.617 53.050 -0.177 0.000 1.265 361 N CB -0.375 38.074 38.487 -0.064 0.000 1.233 361 N HN 0.629 nan 8.380 nan 0.000 1.224 362 F N 2.355 122.393 119.950 0.146 0.000 2.126 362 F HA -0.027 4.500 4.527 -0.001 0.000 0.299 362 F C 2.130 177.975 175.800 0.075 0.000 1.096 362 F CA 1.664 59.764 58.000 0.168 0.000 1.255 362 F CB 0.306 39.432 39.000 0.209 0.000 0.997 362 F HN 0.437 nan 8.300 nan 0.000 0.479 363 R N -0.613 120.017 120.500 0.217 0.000 2.323 363 R HA 0.192 4.531 4.340 -0.001 0.000 0.198 363 R C 1.450 177.765 176.300 0.025 0.000 0.988 363 R CA 0.605 56.772 56.100 0.112 0.000 1.041 363 R CB -0.295 30.070 30.300 0.108 0.000 0.926 363 R HN 0.241 nan 8.270 nan 0.000 0.476 364 A N 0.273 123.087 122.820 -0.010 0.000 2.259 364 A HA 0.016 4.335 4.320 -0.001 0.000 0.213 364 A C 1.835 179.374 177.584 -0.074 0.000 1.209 364 A CA 0.395 52.407 52.037 -0.042 0.000 0.910 364 A CB 0.240 19.210 19.000 -0.049 0.000 0.946 364 A HN 0.289 nan 8.150 nan 0.000 0.497 365 T N -3.209 111.265 114.554 -0.133 0.000 3.014 365 T HA 0.216 4.566 4.350 -0.001 0.000 0.250 365 T C 1.132 175.738 174.700 -0.158 0.000 1.060 365 T CA 0.021 61.992 62.100 -0.215 0.000 1.040 365 T CB -0.136 68.450 68.868 -0.470 0.000 0.971 365 T HN 0.073 nan 8.240 nan 0.000 0.497 366 L N 0.896 122.048 121.223 -0.118 0.000 2.762 366 L HA 0.331 4.671 4.340 -0.001 0.000 0.250 366 L C 0.779 177.657 176.870 0.014 0.000 1.160 366 L CA 0.625 55.455 54.840 -0.017 0.000 0.951 366 L CB -0.880 41.181 42.059 0.002 0.000 1.148 366 L HN 0.385 nan 8.230 nan 0.000 0.424 367 I N -0.563 120.007 120.570 -0.000 0.000 3.746 367 I HA 0.061 4.230 4.170 -0.001 0.000 0.262 367 I C -0.861 175.270 176.117 0.024 0.000 1.153 367 I CA 0.285 61.589 61.300 0.006 0.000 1.395 367 I CB -0.634 37.355 38.000 -0.018 0.000 1.589 367 I HN -0.053 nan 8.210 nan 0.000 0.441 368 P HA -0.055 nan 4.420 nan 0.000 0.233 368 P C 1.153 178.480 177.300 0.046 0.000 1.167 368 P CA 1.487 64.601 63.100 0.024 0.000 0.770 368 P CB -0.241 31.465 31.700 0.009 0.000 0.837 369 T N -4.143 110.451 114.554 0.067 0.000 3.037 369 T HA 0.112 4.462 4.350 -0.001 0.000 0.252 369 T C 1.713 176.465 174.700 0.087 0.000 1.073 369 T CA 0.107 62.268 62.100 0.102 0.000 1.091 369 T CB -0.723 68.272 68.868 0.213 0.000 0.935 369 T HN -0.142 nan 8.240 nan 0.000 0.488 370 I N 2.099 122.723 120.570 0.090 0.000 2.617 370 I HA 0.290 4.459 4.170 -0.001 0.000 0.256 370 I C 2.699 178.876 176.117 0.100 0.000 1.167 370 I CA 0.512 61.877 61.300 0.108 0.000 1.469 370 I CB -0.407 37.684 38.000 0.152 0.000 1.098 370 I HN 0.355 nan 8.210 nan 0.000 0.436 371 A N -0.163 122.705 122.820 0.080 0.000 2.119 371 A HA -0.048 4.271 4.320 -0.001 0.000 0.216 371 A C 2.288 179.896 177.584 0.040 0.000 1.152 371 A CA 1.379 53.456 52.037 0.066 0.000 0.708 371 A CB -0.804 18.229 19.000 0.055 0.000 0.805 371 A HN 0.325 nan 8.150 nan 0.000 0.460 372 V N -2.635 117.300 119.914 0.036 0.000 2.649 372 V HA 0.009 4.129 4.120 -0.001 0.000 0.248 372 V C -0.172 175.922 176.094 -0.000 0.000 1.054 372 V CA 1.072 63.383 62.300 0.018 0.000 1.073 372 V CB -1.640 30.196 31.823 0.022 0.000 0.699 372 V HN 0.367 nan 8.190 nan 0.000 0.463 373 P HA -0.025 nan 4.420 nan 0.000 0.216 373 P C 1.974 179.243 177.300 -0.052 0.000 1.153 373 P CA 1.516 64.607 63.100 -0.015 0.000 0.844 373 P CB -0.099 31.598 31.700 -0.004 0.000 0.787 374 V N 1.143 121.033 119.914 -0.040 0.000 2.332 374 V HA -0.206 3.913 4.120 -0.001 0.000 0.248 374 V C 2.857 178.894 176.094 -0.094 0.000 1.055 374 V CA 2.312 64.575 62.300 -0.063 0.000 1.038 374 V CB -1.672 30.138 31.823 -0.022 0.000 0.651 374 V HN 0.025 nan 8.190 nan 0.000 0.450 375 V N -1.905 117.967 119.914 -0.070 0.000 2.667 375 V HA -0.084 4.036 4.120 -0.001 0.000 0.252 375 V C 2.200 178.213 176.094 -0.134 0.000 1.065 375 V CA 1.564 63.814 62.300 -0.083 0.000 1.083 375 V CB -0.634 31.164 31.823 -0.041 0.000 0.692 375 V HN 0.439 nan 8.190 nan 0.000 0.468 376 L N 0.647 121.787 121.223 -0.138 0.000 2.034 376 L HA 0.044 4.384 4.340 -0.001 0.000 0.203 376 L C 2.204 178.772 176.870 -0.503 0.000 1.074 376 L CA 1.930 56.674 54.840 -0.160 0.000 0.748 376 L CB -0.283 41.759 42.059 -0.029 0.000 0.905 376 L HN 0.404 nan 8.230 nan 0.000 0.439 377 L N -1.529 119.324 121.223 -0.617 0.000 2.376 377 L HA 0.229 4.569 4.340 -0.001 0.000 0.219 377 L C 2.260 178.650 176.870 -0.799 0.000 1.133 377 L CA 1.353 55.465 54.840 -1.213 0.000 0.816 377 L CB -2.153 39.592 42.059 -0.524 0.000 0.933 377 L HN 0.138 nan 8.230 nan 0.000 0.449 378 G N -0.513 108.021 108.800 -0.442 0.000 2.484 378 G HA2 -0.113 3.846 3.960 -0.001 0.000 0.218 378 G HA3 -0.113 3.846 3.960 -0.001 0.000 0.218 378 G C 1.353 176.098 174.900 -0.258 0.000 1.130 378 G CA 1.039 45.976 45.100 -0.271 0.000 0.784 378 G HN 0.431 nan 8.290 nan 0.000 0.543 379 T N 1.486 115.838 114.554 -0.337 0.000 2.735 379 T HA -0.017 4.332 4.350 -0.001 0.000 0.256 379 T C 1.132 175.760 174.700 -0.121 0.000 1.042 379 T CA 0.594 62.562 62.100 -0.219 0.000 1.147 379 T CB -0.367 68.397 68.868 -0.174 0.000 0.865 379 T HN 0.393 nan 8.240 nan 0.000 0.421 380 F N 1.163 121.104 119.950 -0.015 0.000 2.677 380 F HA 0.698 5.225 4.527 -0.001 0.000 0.358 380 F C 0.792 176.611 175.800 0.031 0.000 1.266 380 F CA -0.819 57.197 58.000 0.028 0.000 1.262 380 F CB -0.752 38.273 39.000 0.041 0.000 1.684 380 F HN 0.153 nan 8.300 nan 0.000 0.671 381 A N 1.197 124.063 122.820 0.076 0.000 1.781 381 A HA 0.088 4.407 4.320 -0.001 0.000 0.180 381 A C 0.882 178.515 177.584 0.080 0.000 1.996 381 A CA 0.531 52.596 52.037 0.047 0.000 1.576 381 A CB -0.512 18.458 19.000 -0.050 0.000 1.609 381 A HN 0.395 nan 8.150 nan 0.000 0.304 382 V N 1.278 121.231 119.914 0.065 0.000 3.541 382 V HA 0.089 4.208 4.120 -0.001 0.000 0.267 382 V C 1.674 177.890 176.094 0.204 0.000 1.213 382 V CA 0.926 63.291 62.300 0.108 0.000 1.149 382 V CB -0.181 31.654 31.823 0.020 0.000 0.822 382 V HN 0.464 nan 8.190 nan 0.000 0.462 383 L N 0.789 122.139 121.223 0.212 0.000 2.353 383 L HA 0.124 4.463 4.340 -0.001 0.000 0.220 383 L C 1.279 178.397 176.870 0.414 0.000 1.133 383 L CA 1.559 56.590 54.840 0.319 0.000 0.798 383 L CB -1.156 41.081 42.059 0.296 0.000 0.922 383 L HN 0.479 nan 8.230 nan 0.000 0.445 384 A N -0.487 122.520 122.820 0.312 0.000 2.258 384 A HA 0.703 5.023 4.320 -0.001 0.000 0.316 384 A C -0.022 177.678 177.584 0.194 0.000 1.279 384 A CA 0.392 52.560 52.037 0.218 0.000 0.876 384 A CB 0.901 19.979 19.000 0.130 0.000 1.170 384 A HN 0.307 nan 8.150 nan 0.000 0.520 385 A N 1.421 124.262 122.820 0.034 0.000 2.343 385 A HA 0.555 4.875 4.320 -0.001 0.000 0.296 385 A C 0.239 177.537 177.584 -0.477 0.000 1.020 385 A CA -0.018 51.942 52.037 -0.128 0.000 0.579 385 A CB -0.941 18.154 19.000 0.159 0.000 1.441 385 A HN 1.430 nan 8.150 nan 0.000 0.552 386 F N -0.568 119.119 119.950 -0.438 0.000 2.512 386 F HA -0.377 4.149 4.527 -0.001 0.000 0.233 386 F C 1.995 177.533 175.800 -0.436 0.000 1.309 386 F CA 3.429 61.171 58.000 -0.431 0.000 1.832 386 F CB -0.764 37.977 39.000 -0.433 0.000 0.596 386 F HN 1.574 nan 8.300 nan 0.000 0.383 387 G N -1.891 106.644 108.800 -0.441 0.000 5.284 387 G HA2 0.392 4.351 3.960 -0.001 0.000 0.236 387 G HA3 0.392 4.351 3.960 -0.001 0.000 0.236 387 G C -0.440 174.389 174.900 -0.118 0.000 0.870 387 G CA -0.009 44.971 45.100 -0.200 0.000 0.724 387 G HN 0.320 nan 8.290 nan 0.000 0.336 388 F N 0.273 120.326 119.950 0.171 0.000 2.511 388 F HA 0.833 5.359 4.527 -0.001 0.000 0.340 388 F C 1.217 177.096 175.800 0.132 0.000 1.094 388 F CA -1.000 57.094 58.000 0.156 0.000 1.119 388 F CB -0.287 38.822 39.000 0.182 0.000 1.775 388 F HN -0.105 nan 8.300 nan 0.000 0.536 389 S N -0.882 115.072 115.700 0.422 0.000 3.164 389 S HA 0.598 5.067 4.470 -0.001 0.000 0.198 389 S C -0.497 174.232 174.600 0.216 0.000 1.108 389 S CA -0.260 58.086 58.200 0.243 0.000 1.501 389 S CB 0.170 63.471 63.200 0.168 0.000 0.788 389 S HN 0.509 nan 8.310 nan 0.000 0.552 390 I N 2.076 122.760 120.570 0.190 0.000 5.595 390 I HA -0.096 4.074 4.170 -0.001 0.000 0.293 390 I C -1.309 174.866 176.117 0.097 0.000 1.815 390 I CA -0.285 61.108 61.300 0.155 0.000 2.037 390 I CB -0.877 37.205 38.000 0.137 0.000 3.364 390 I HN 0.541 nan 8.210 nan 0.000 0.169 391 N N 1.671 120.421 118.700 0.083 0.000 3.574 391 N HA 0.610 5.349 4.740 -0.001 0.000 0.340 391 N C -0.535 174.990 175.510 0.025 0.000 1.650 391 N CA -0.611 52.462 53.050 0.039 0.000 0.762 391 N CB 0.921 39.425 38.487 0.028 0.000 2.206 391 N HN 0.164 nan 8.380 nan 0.000 0.621 392 T N 0.174 114.731 114.554 0.005 0.000 2.864 392 T HA 0.449 4.799 4.350 -0.001 0.000 0.276 392 T C 0.686 175.406 174.700 0.033 0.000 1.006 392 T CA -0.419 61.688 62.100 0.012 0.000 0.970 392 T CB 0.694 69.544 68.868 -0.031 0.000 1.420 392 T HN 0.449 nan 8.240 nan 0.000 0.601 393 L N -0.046 121.224 121.223 0.078 0.000 4.625 393 L HA -0.235 4.104 4.340 -0.001 0.000 0.428 393 L C 1.571 178.491 176.870 0.083 0.000 1.129 393 L CA 1.899 56.795 54.840 0.092 0.000 0.978 393 L CB -2.360 39.725 42.059 0.044 0.000 2.043 393 L HN 1.054 nan 8.230 nan 0.000 0.847 394 T N -7.715 106.910 114.554 0.119 0.000 3.010 394 T HA 0.250 4.599 4.350 -0.001 0.000 0.252 394 T C 1.304 176.217 174.700 0.354 0.000 0.963 394 T CA 0.418 62.662 62.100 0.241 0.000 0.952 394 T CB -0.087 68.878 68.868 0.162 0.000 1.182 394 T HN 0.003 nan 8.240 nan 0.000 0.495 395 M N 0.771 120.481 119.600 0.182 0.000 2.254 395 M HA 0.347 4.827 4.480 -0.001 0.000 0.265 395 M C 1.581 177.940 176.300 0.098 0.000 1.066 395 M CA 0.991 56.344 55.300 0.088 0.000 1.123 395 M CB -0.695 31.889 32.600 -0.026 0.000 1.388 395 M HN 0.327 nan 8.290 nan 0.000 0.425 396 F N 0.137 120.090 119.950 0.005 0.000 2.074 396 F HA 0.058 4.585 4.527 -0.001 0.000 0.293 396 F C 2.200 178.021 175.800 0.036 0.000 1.116 396 F CA 1.807 59.795 58.000 -0.021 0.000 1.212 396 F CB -0.945 38.033 39.000 -0.036 0.000 0.998 396 F HN 0.135 nan 8.300 nan 0.000 0.471 397 G N -0.201 108.894 108.800 0.493 0.000 2.586 397 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.215 397 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.215 397 G C 1.404 176.463 174.900 0.264 0.000 1.128 397 G CA 0.832 46.189 45.100 0.429 0.000 0.774 397 G HN 0.383 nan 8.290 nan 0.000 0.543 398 M N 0.947 120.655 119.600 0.179 0.000 2.288 398 M HA 0.058 4.537 4.480 -0.001 0.000 0.266 398 M C 2.508 178.795 176.300 -0.021 0.000 1.072 398 M CA 0.901 56.248 55.300 0.079 0.000 1.132 398 M CB 0.054 32.717 32.600 0.105 0.000 1.386 398 M HN 0.148 nan 8.290 nan 0.000 0.432 399 V N -2.349 117.502 119.914 -0.105 0.000 2.809 399 V HA -0.092 4.027 4.120 -0.001 0.000 0.256 399 V C 1.757 177.751 176.094 -0.167 0.000 1.080 399 V CA 1.026 63.214 62.300 -0.186 0.000 1.102 399 V CB -0.966 30.660 31.823 -0.329 0.000 0.705 399 V HN 0.349 nan 8.190 nan 0.000 0.475 400 L N 0.804 121.968 121.223 -0.099 0.000 2.249 400 L HA 0.313 4.652 4.340 -0.001 0.000 0.207 400 L C 2.852 179.702 176.870 -0.033 0.000 1.090 400 L CA 1.778 56.585 54.840 -0.054 0.000 0.802 400 L CB -1.807 40.273 42.059 0.035 0.000 0.947 400 L HN 0.451 nan 8.230 nan 0.000 0.453 401 A N 0.003 122.805 122.820 -0.029 0.000 2.014 401 A HA -0.087 4.233 4.320 -0.001 0.000 0.218 401 A C 2.276 179.843 177.584 -0.029 0.000 1.163 401 A CA 0.711 52.730 52.037 -0.029 0.000 0.652 401 A CB -0.499 18.463 19.000 -0.065 0.000 0.808 401 A HN 0.304 nan 8.150 nan 0.000 0.449 402 I N -0.003 120.530 120.570 -0.062 0.000 2.399 402 I HA -0.285 3.884 4.170 -0.001 0.000 0.254 402 I C 2.481 178.543 176.117 -0.093 0.000 1.146 402 I CA 0.908 62.161 61.300 -0.078 0.000 1.412 402 I CB -0.372 37.561 38.000 -0.112 0.000 1.076 402 I HN 0.429 nan 8.210 nan 0.000 0.432 403 G N 0.855 109.575 108.800 -0.134 0.000 2.575 403 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.215 403 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.215 403 G C 1.528 176.588 174.900 0.267 0.000 1.262 403 G CA 0.197 45.204 45.100 -0.155 0.000 0.807 403 G HN 0.208 nan 8.290 nan 0.000 0.567 404 L N 1.197 122.590 121.223 0.283 0.000 2.042 404 L HA -0.093 4.246 4.340 -0.001 0.000 0.210 404 L C 2.943 179.893 176.870 0.133 0.000 1.076 404 L CA 2.149 57.125 54.840 0.226 0.000 0.749 404 L CB -0.900 41.271 42.059 0.185 0.000 0.893 404 L HN 0.396 nan 8.230 nan 0.000 0.432 405 L N -2.710 118.563 121.223 0.084 0.000 2.131 405 L HA -0.097 4.242 4.340 -0.001 0.000 0.210 405 L C 2.329 179.229 176.870 0.050 0.000 1.092 405 L CA 1.295 56.163 54.840 0.046 0.000 0.759 405 L CB -1.666 40.400 42.059 0.012 0.000 0.903 405 L HN -0.089 nan 8.230 nan 0.000 0.435 406 V N 0.477 120.431 119.914 0.066 0.000 2.379 406 V HA -0.192 3.928 4.120 -0.001 0.000 0.245 406 V C 2.262 178.404 176.094 0.079 0.000 1.044 406 V CA 1.924 64.264 62.300 0.065 0.000 1.036 406 V CB -0.608 31.251 31.823 0.061 0.000 0.664 406 V HN 0.419 nan 8.190 nan 0.000 0.453 407 D N 0.945 121.416 120.400 0.118 0.000 2.075 407 D HA -0.090 4.550 4.640 -0.001 0.000 0.196 407 D C 2.182 178.508 176.300 0.042 0.000 0.985 407 D CA 1.689 55.741 54.000 0.087 0.000 0.834 407 D CB -0.631 40.225 40.800 0.093 0.000 0.987 407 D HN 0.369 nan 8.370 nan 0.000 0.452 408 A N 0.572 123.418 122.820 0.042 0.000 2.139 408 A HA -0.077 4.243 4.320 -0.001 0.000 0.221 408 A C 2.106 179.705 177.584 0.025 0.000 1.159 408 A CA 1.960 54.013 52.037 0.027 0.000 0.662 408 A CB -0.659 18.357 19.000 0.027 0.000 0.796 408 A HN 0.241 nan 8.150 nan 0.000 0.463 409 A N -0.077 122.761 122.820 0.029 0.000 2.123 409 A HA 0.191 4.510 4.320 -0.001 0.000 0.214 409 A C 1.927 179.522 177.584 0.018 0.000 1.152 409 A CA 0.967 53.020 52.037 0.025 0.000 0.728 409 A CB -0.620 18.398 19.000 0.029 0.000 0.814 409 A HN 0.920 nan 8.150 nan 0.000 0.464 410 I N -3.131 117.447 120.570 0.014 0.000 2.333 410 I HA -0.033 4.137 4.170 -0.001 0.000 0.246 410 I C 1.841 177.962 176.117 0.006 0.000 1.106 410 I CA 1.074 62.375 61.300 0.001 0.000 1.411 410 I CB -0.650 37.340 38.000 -0.016 0.000 1.082 410 I HN -0.051 nan 8.210 nan 0.000 0.420 411 V N 2.204 122.129 119.914 0.019 0.000 2.343 411 V HA -0.194 3.925 4.120 -0.001 0.000 0.247 411 V C 2.524 178.642 176.094 0.040 0.000 1.051 411 V CA 1.884 64.208 62.300 0.041 0.000 1.036 411 V CB -0.877 30.985 31.823 0.065 0.000 0.654 411 V HN 0.581 nan 8.190 nan 0.000 0.451 412 V N -2.338 117.593 119.914 0.029 0.000 3.593 412 V HA 0.117 4.237 4.120 -0.001 0.000 0.275 412 V C 1.371 177.474 176.094 0.013 0.000 1.237 412 V CA 0.924 63.238 62.300 0.023 0.000 1.194 412 V CB -0.344 31.491 31.823 0.020 0.000 0.949 412 V HN 0.306 nan 8.190 nan 0.000 0.467 413 V N -1.249 118.671 119.914 0.010 0.000 3.294 413 V HA 0.174 4.293 4.120 -0.001 0.000 0.255 413 V C 2.170 178.263 176.094 -0.002 0.000 1.528 413 V CA 0.823 63.123 62.300 -0.000 0.000 1.086 413 V CB 1.072 32.892 31.823 -0.005 0.000 0.906 413 V HN 0.511 nan 8.190 nan 0.000 0.433 414 E N 1.136 121.337 120.200 0.002 0.000 2.102 414 E HA -0.082 4.268 4.350 -0.001 0.000 0.190 414 E C 1.600 178.202 176.600 0.004 0.000 0.971 414 E CA 0.774 57.173 56.400 -0.001 0.000 0.821 414 E CB -0.061 29.634 29.700 -0.008 0.000 0.777 414 E HN 0.577 nan 8.360 nan 0.000 0.460 415 N N 0.547 119.260 118.700 0.021 0.000 2.573 415 N HA -0.076 4.664 4.740 -0.001 0.000 0.187 415 N C 1.613 177.134 175.510 0.020 0.000 1.107 415 N CA 0.382 53.450 53.050 0.030 0.000 0.918 415 N CB 0.383 38.916 38.487 0.076 0.000 0.966 415 N HN 0.028 nan 8.380 nan 0.000 0.448 416 V N 0.240 120.161 119.914 0.011 0.000 2.788 416 V HA -0.093 4.027 4.120 -0.001 0.000 0.251 416 V C 2.065 178.156 176.094 -0.005 0.000 1.068 416 V CA 1.139 63.440 62.300 0.003 0.000 1.090 416 V CB -0.147 31.675 31.823 -0.002 0.000 0.710 416 V HN 0.191 nan 8.190 nan 0.000 0.467 417 E N 0.384 120.579 120.200 -0.007 0.000 2.107 417 E HA -0.149 4.201 4.350 -0.001 0.000 0.191 417 E C 2.418 179.011 176.600 -0.011 0.000 0.982 417 E CA 0.872 57.263 56.400 -0.014 0.000 0.809 417 E CB -0.036 29.654 29.700 -0.016 0.000 0.756 417 E HN 0.292 nan 8.360 nan 0.000 0.459 418 R N 0.107 120.603 120.500 -0.007 0.000 2.097 418 R HA -0.142 4.197 4.340 -0.001 0.000 0.236 418 R C 2.461 178.758 176.300 -0.004 0.000 1.135 418 R CA 1.761 57.858 56.100 -0.005 0.000 0.934 418 R CB -1.661 28.634 30.300 -0.009 0.000 0.846 418 R HN 0.378 nan 8.270 nan 0.000 0.431 419 V N -1.579 118.334 119.914 -0.001 0.000 3.026 419 V HA -0.084 4.035 4.120 -0.001 0.000 0.265 419 V C 1.962 178.052 176.094 -0.006 0.000 1.121 419 V CA 1.546 63.845 62.300 -0.001 0.000 1.142 419 V CB -0.436 31.388 31.823 0.002 0.000 0.730 419 V HN 0.174 nan 8.190 nan 0.000 0.503 420 M N -0.731 118.863 119.600 -0.010 0.000 2.260 420 M HA 0.439 4.918 4.480 -0.001 0.000 0.295 420 M C 1.922 178.210 176.300 -0.020 0.000 1.042 420 M CA 1.177 56.469 55.300 -0.014 0.000 1.116 420 M CB 0.687 33.277 32.600 -0.016 0.000 1.796 420 M HN 0.428 nan 8.290 nan 0.000 0.617 421 A N 0.094 122.901 122.820 -0.021 0.000 2.030 421 A HA 0.036 4.356 4.320 -0.001 0.000 0.215 421 A C 1.767 179.339 177.584 -0.020 0.000 1.164 421 A CA 0.909 52.929 52.037 -0.029 0.000 0.697 421 A CB 0.010 18.989 19.000 -0.034 0.000 0.827 421 A HN 0.509 nan 8.150 nan 0.000 0.457 422 E N -0.121 120.074 120.200 -0.009 0.000 2.067 422 E HA -0.050 4.300 4.350 -0.001 0.000 0.194 422 E C 1.358 177.955 176.600 -0.005 0.000 0.950 422 E CA 0.476 56.875 56.400 -0.002 0.000 0.872 422 E CB -0.159 29.545 29.700 0.008 0.000 0.877 422 E HN 0.544 nan 8.360 nan 0.000 0.470 423 E N 0.640 120.838 120.200 -0.004 0.000 2.515 423 E HA -0.052 4.298 4.350 -0.001 0.000 0.201 423 E C 1.347 177.943 176.600 -0.007 0.000 1.071 423 E CA 0.838 57.235 56.400 -0.004 0.000 0.880 423 E CB 0.215 29.914 29.700 -0.001 0.000 0.828 423 E HN 0.499 nan 8.360 nan 0.000 0.540 424 G N 1.676 110.470 108.800 -0.011 0.000 3.078 424 G HA2 -0.391 3.568 3.960 -0.001 0.000 0.227 424 G HA3 -0.391 3.568 3.960 -0.001 0.000 0.227 424 G C 0.470 175.363 174.900 -0.012 0.000 1.306 424 G CA 0.656 45.748 45.100 -0.013 0.000 0.841 424 G HN 0.363 nan 8.290 nan 0.000 0.530 425 L N 1.119 122.336 121.223 -0.009 0.000 2.529 425 L HA 0.571 4.910 4.340 -0.001 0.000 0.287 425 L C -1.606 175.259 176.870 -0.009 0.000 1.241 425 L CA -1.162 53.673 54.840 -0.008 0.000 0.857 425 L CB -1.155 40.901 42.059 -0.006 0.000 1.113 425 L HN 0.150 nan 8.230 nan 0.000 0.504 426 P HA 0.020 nan 4.420 nan 0.000 0.269 426 P C -2.186 175.109 177.300 -0.009 0.000 1.205 426 P CA -0.504 62.591 63.100 -0.009 0.000 0.780 426 P CB -0.356 31.339 31.700 -0.008 0.000 0.858 427 P HA -0.020 nan 4.420 nan 0.000 0.339 427 P C 0.526 177.820 177.300 -0.009 0.000 1.376 427 P CA 0.201 63.295 63.100 -0.010 0.000 0.797 427 P CB 0.260 31.952 31.700 -0.013 0.000 1.872 428 K N -1.100 119.293 120.400 -0.011 0.000 11.088 428 K HA -0.239 4.080 4.320 -0.001 0.000 0.518 428 K C 1.439 178.035 176.600 -0.008 0.000 0.411 428 K CA 2.489 58.770 56.287 -0.010 0.000 1.873 428 K CB -2.149 30.346 32.500 -0.009 0.000 0.794 428 K HN 0.542 nan 8.250 nan 0.000 1.246 429 E N 1.309 121.506 120.200 -0.006 0.000 2.494 429 E HA 0.254 4.603 4.350 -0.001 0.000 0.193 429 E C 1.465 178.063 176.600 -0.003 0.000 1.074 429 E CA 0.671 57.068 56.400 -0.005 0.000 0.867 429 E CB 0.070 29.767 29.700 -0.005 0.000 0.924 429 E HN 0.491 nan 8.360 nan 0.000 0.502 430 A N 0.858 123.676 122.820 -0.004 0.000 1.835 430 A HA -0.160 4.160 4.320 -0.001 0.000 0.215 430 A C 2.157 179.742 177.584 0.002 0.000 1.199 430 A CA 1.847 53.883 52.037 -0.002 0.000 0.615 430 A CB -0.851 18.146 19.000 -0.005 0.000 0.838 430 A HN 0.280 nan 8.150 nan 0.000 0.444 431 T N -0.892 113.663 114.554 0.002 0.000 3.169 431 T HA 0.097 4.446 4.350 -0.001 0.000 0.250 431 T C 1.588 176.293 174.700 0.007 0.000 1.111 431 T CA 0.637 62.741 62.100 0.007 0.000 1.010 431 T CB -0.014 68.858 68.868 0.007 0.000 0.984 431 T HN 0.410 nan 8.240 nan 0.000 0.537 432 R N 2.496 122.997 120.500 0.003 0.000 2.103 432 R HA -0.017 4.323 4.340 -0.001 0.000 0.242 432 R C 1.377 177.679 176.300 0.002 0.000 1.142 432 R CA 1.395 57.495 56.100 0.001 0.000 0.960 432 R CB -0.120 30.179 30.300 -0.002 0.000 0.858 432 R HN 0.197 nan 8.270 nan 0.000 0.439 433 K N -0.400 120.004 120.400 0.006 0.000 2.847 433 K HA 0.209 4.528 4.320 -0.001 0.000 0.213 433 K C -0.639 175.974 176.600 0.022 0.000 1.174 433 K CA 0.031 56.324 56.287 0.009 0.000 1.095 433 K CB 0.442 32.947 32.500 0.007 0.000 1.581 433 K HN 0.101 nan 8.250 nan 0.000 0.514 434 S N 0.601 116.317 115.700 0.027 0.000 2.560 434 S HA 0.059 4.529 4.470 -0.001 0.000 0.281 434 S C 0.871 175.500 174.600 0.049 0.000 1.075 434 S CA -0.423 57.807 58.200 0.050 0.000 1.295 434 S CB 0.121 63.351 63.200 0.049 0.000 1.156 434 S HN 0.441 nan 8.310 nan 0.000 0.627 435 M N 1.827 121.441 119.600 0.023 0.000 2.595 435 M HA 0.145 4.625 4.480 -0.001 0.000 0.248 435 M C 1.580 177.874 176.300 -0.011 0.000 1.119 435 M CA 0.629 55.934 55.300 0.009 0.000 1.079 435 M CB 0.044 32.646 32.600 0.004 0.000 1.472 435 M HN 0.396 nan 8.290 nan 0.000 0.501 436 G N -0.829 107.967 108.800 -0.008 0.000 2.744 436 G HA2 -0.071 3.889 3.960 -0.001 0.000 0.211 436 G HA3 -0.071 3.889 3.960 -0.001 0.000 0.211 436 G C 1.247 176.124 174.900 -0.039 0.000 1.146 436 G CA -0.041 45.043 45.100 -0.027 0.000 0.787 436 G HN 0.420 nan 8.290 nan 0.000 0.534 437 Q N -0.284 119.512 119.800 -0.007 0.000 2.432 437 Q HA 0.151 4.490 4.340 -0.001 0.000 0.205 437 Q C 1.666 177.567 176.000 -0.166 0.000 0.945 437 Q CA 0.506 56.299 55.803 -0.017 0.000 0.924 437 Q CB 0.144 28.987 28.738 0.175 0.000 1.016 437 Q HN 0.804 nan 8.270 nan 0.000 0.503 438 I N -2.884 117.618 120.570 -0.113 0.000 3.817 438 I HA 0.097 4.266 4.170 -0.001 0.000 0.325 438 I C 1.513 177.571 176.117 -0.098 0.000 1.550 438 I CA -0.284 60.928 61.300 -0.148 0.000 1.100 438 I CB 0.170 38.120 38.000 -0.083 0.000 1.216 438 I HN -0.074 nan 8.210 nan 0.000 0.481 439 Q N 1.907 121.648 119.800 -0.097 0.000 2.050 439 Q HA -0.039 4.300 4.340 -0.001 0.000 0.202 439 Q C 1.961 177.913 176.000 -0.080 0.000 0.980 439 Q CA 2.075 57.831 55.803 -0.077 0.000 0.840 439 Q CB -0.782 27.910 28.738 -0.078 0.000 0.898 439 Q HN 0.482 nan 8.270 nan 0.000 0.424 440 G N 0.529 109.253 108.800 -0.128 0.000 2.511 440 G HA2 0.080 4.039 3.960 -0.001 0.000 0.217 440 G HA3 0.080 4.039 3.960 -0.001 0.000 0.217 440 G C 1.197 176.116 174.900 0.032 0.000 1.133 440 G CA 0.251 45.296 45.100 -0.092 0.000 0.792 440 G HN 0.507 nan 8.290 nan 0.000 0.539 441 A N -0.305 122.499 122.820 -0.027 0.000 2.346 441 A HA 0.648 4.968 4.320 -0.001 0.000 0.242 441 A C 1.461 179.030 177.584 -0.026 0.000 1.323 441 A CA 0.156 52.182 52.037 -0.019 0.000 0.940 441 A CB -0.202 18.736 19.000 -0.102 0.000 0.943 441 A HN 0.352 nan 8.150 nan 0.000 0.501 442 L N -3.052 118.161 121.223 -0.016 0.000 2.769 442 L HA 0.135 4.474 4.340 -0.001 0.000 0.175 442 L C 2.067 178.932 176.870 -0.008 0.000 1.099 442 L CA 0.365 55.197 54.840 -0.014 0.000 0.876 442 L CB -0.153 41.897 42.059 -0.015 0.000 1.498 442 L HN 0.126 nan 8.230 nan 0.000 0.499 443 V N 0.005 119.915 119.914 -0.006 0.000 2.667 443 V HA 0.030 4.150 4.120 -0.001 0.000 0.252 443 V C 1.249 177.345 176.094 0.005 0.000 1.065 443 V CA 1.812 64.110 62.300 -0.003 0.000 1.083 443 V CB 0.172 31.992 31.823 -0.006 0.000 0.692 443 V HN 0.460 nan 8.190 nan 0.000 0.468 444 G N -0.696 108.123 108.800 0.032 0.000 4.547 444 G HA2 0.320 4.279 3.960 -0.001 0.000 0.301 444 G HA3 0.320 4.279 3.960 -0.001 0.000 0.301 444 G C 0.642 175.544 174.900 0.004 0.000 1.240 444 G CA 0.354 45.478 45.100 0.040 0.000 0.970 444 G HN 0.594 nan 8.290 nan 0.000 0.574 445 I N -2.819 117.736 120.570 -0.024 0.000 3.039 445 I HA 0.369 4.538 4.170 -0.001 0.000 0.270 445 I C 2.507 178.567 176.117 -0.095 0.000 1.150 445 I CA 0.627 61.888 61.300 -0.065 0.000 1.448 445 I CB 0.054 38.025 38.000 -0.050 0.000 1.197 445 I HN -0.005 nan 8.210 nan 0.000 0.450 446 A N 1.233 124.013 122.820 -0.065 0.000 1.898 446 A HA -0.115 4.204 4.320 -0.001 0.000 0.216 446 A C 2.300 179.825 177.584 -0.099 0.000 1.181 446 A CA 2.080 54.076 52.037 -0.069 0.000 0.620 446 A CB -0.647 18.337 19.000 -0.027 0.000 0.819 446 A HN 0.478 nan 8.150 nan 0.000 0.442 447 M N 0.101 119.652 119.600 -0.081 0.000 2.476 447 M HA -0.055 4.425 4.480 -0.001 0.000 0.262 447 M C 1.601 177.826 176.300 -0.125 0.000 1.079 447 M CA 1.446 56.696 55.300 -0.085 0.000 1.104 447 M CB -0.076 32.489 32.600 -0.059 0.000 1.409 447 M HN 0.381 nan 8.290 nan 0.000 0.467 448 V N -4.485 115.335 119.914 -0.157 0.000 3.565 448 V HA 0.078 4.197 4.120 -0.001 0.000 0.260 448 V C 1.901 177.822 176.094 -0.287 0.000 1.231 448 V CA 0.194 62.380 62.300 -0.190 0.000 1.100 448 V CB -0.652 31.063 31.823 -0.179 0.000 0.807 448 V HN 0.272 nan 8.190 nan 0.000 0.454 449 L N 1.032 122.041 121.223 -0.357 0.000 2.027 449 L HA -0.032 4.307 4.340 -0.001 0.000 0.206 449 L C 2.646 178.857 176.870 -1.098 0.000 1.074 449 L CA 2.217 56.639 54.840 -0.697 0.000 0.745 449 L CB -1.046 40.724 42.059 -0.482 0.000 0.898 449 L HN 0.442 nan 8.230 nan 0.000 0.433 450 S N 0.129 115.527 115.700 -0.504 0.000 2.500 450 S HA -0.092 4.377 4.470 -0.001 0.000 0.239 450 S C 2.076 176.584 174.600 -0.154 0.000 0.989 450 S CA 0.782 58.851 58.200 -0.218 0.000 0.951 450 S CB -0.134 63.028 63.200 -0.063 0.000 0.759 450 S HN 0.485 nan 8.310 nan 0.000 0.523 451 A N 1.522 124.210 122.820 -0.220 0.000 1.851 451 A HA -0.095 4.225 4.320 -0.001 0.000 0.216 451 A C 2.220 179.779 177.584 -0.041 0.000 1.195 451 A CA 1.943 53.916 52.037 -0.107 0.000 0.622 451 A CB -0.909 18.029 19.000 -0.104 0.000 0.831 451 A HN 0.412 nan 8.150 nan 0.000 0.444 452 V N -1.202 118.689 119.914 -0.039 0.000 3.217 452 V HA -0.065 4.055 4.120 -0.001 0.000 0.264 452 V C 1.903 178.185 176.094 0.313 0.000 1.135 452 V CA 0.893 63.272 62.300 0.131 0.000 1.142 452 V CB -1.258 30.702 31.823 0.228 0.000 0.754 452 V HN 0.512 nan 8.190 nan 0.000 0.484 453 F N 0.955 120.886 119.950 -0.031 0.000 2.281 453 F HA -0.001 4.526 4.527 -0.001 0.000 0.257 453 F C 2.452 178.200 175.800 -0.086 0.000 1.220 453 F CA 0.735 58.716 58.000 -0.033 0.000 1.038 453 F CB -0.657 38.331 39.000 -0.020 0.000 1.015 453 F HN 0.011 nan 8.300 nan 0.000 0.560 454 V N -1.222 118.776 119.914 0.140 0.000 2.317 454 V HA -0.229 3.890 4.120 -0.001 0.000 0.251 454 V C -1.105 174.822 176.094 -0.278 0.000 1.065 454 V CA 1.502 63.779 62.300 -0.039 0.000 1.049 454 V CB -2.679 29.126 31.823 -0.029 0.000 0.651 454 V HN 0.259 nan 8.190 nan 0.000 0.450 455 P HA -0.060 nan 4.420 nan 0.000 0.234 455 P C 1.547 178.374 177.300 -0.789 0.000 1.162 455 P CA 1.043 63.658 63.100 -0.809 0.000 0.759 455 P CB -0.232 31.326 31.700 -0.237 0.000 0.813 456 M N -0.385 118.993 119.600 -0.370 0.000 2.476 456 M HA 0.046 4.525 4.480 -0.001 0.000 0.262 456 M C 1.707 177.975 176.300 -0.054 0.000 1.079 456 M CA 0.710 55.902 55.300 -0.181 0.000 1.104 456 M CB -1.107 31.479 32.600 -0.023 0.000 1.409 456 M HN -0.127 nan 8.290 nan 0.000 0.467 457 A N -0.599 122.063 122.820 -0.262 0.000 2.172 457 A HA -0.035 4.285 4.320 -0.001 0.000 0.216 457 A C 0.336 177.693 177.584 -0.377 0.000 1.154 457 A CA 0.608 52.578 52.037 -0.113 0.000 0.701 457 A CB -1.058 17.865 19.000 -0.129 0.000 0.789 457 A HN 0.446 nan 8.150 nan 0.000 0.465 458 F N 1.110 120.941 119.950 -0.197 0.000 2.660 458 F HA 0.380 4.906 4.527 -0.001 0.000 0.342 458 F C 0.337 175.998 175.800 -0.232 0.000 1.195 458 F CA -2.373 55.457 58.000 -0.284 0.000 1.300 458 F CB -1.579 37.325 39.000 -0.159 0.000 1.616 458 F HN 0.268 nan 8.300 nan 0.000 0.592 459 F N -1.028 118.964 119.950 0.069 0.000 2.317 459 F HA 0.926 5.453 4.527 -0.001 0.000 0.266 459 F C 1.155 176.964 175.800 0.014 0.000 0.913 459 F CA -0.880 57.120 58.000 -0.001 0.000 1.117 459 F CB -0.447 38.570 39.000 0.028 0.000 1.980 459 F HN 0.084 nan 8.300 nan 0.000 0.600 460 G N -1.028 108.044 108.800 0.454 0.000 3.134 460 G HA2 0.458 4.418 3.960 -0.001 0.000 0.158 460 G HA3 0.458 4.418 3.960 -0.001 0.000 0.158 460 G C 0.430 175.508 174.900 0.297 0.000 1.334 460 G CA -0.331 44.919 45.100 0.250 0.000 1.001 460 G HN 0.903 nan 8.290 nan 0.000 0.600 461 G N -1.057 107.862 108.800 0.198 0.000 2.687 461 G HA2 0.204 4.164 3.960 -0.001 0.000 0.222 461 G HA3 0.204 4.164 3.960 -0.001 0.000 0.222 461 G C 1.769 176.758 174.900 0.148 0.000 1.445 461 G CA 1.520 46.725 45.100 0.175 0.000 0.836 461 G HN 0.712 nan 8.290 nan 0.000 0.598 462 S N 0.523 116.310 115.700 0.146 0.000 2.439 462 S HA -0.044 4.426 4.470 -0.001 0.000 0.224 462 S C 1.999 176.643 174.600 0.073 0.000 1.029 462 S CA 1.670 59.938 58.200 0.113 0.000 0.946 462 S CB -0.562 62.727 63.200 0.148 0.000 0.797 462 S HN 0.492 nan 8.310 nan 0.000 0.504 463 T N -0.030 114.577 114.554 0.089 0.000 3.500 463 T HA 0.412 4.761 4.350 -0.001 0.000 0.244 463 T C 1.262 175.941 174.700 -0.035 0.000 0.962 463 T CA 0.166 62.258 62.100 -0.014 0.000 0.932 463 T CB -0.124 68.720 68.868 -0.039 0.000 1.096 463 T HN 0.282 nan 8.240 nan 0.000 0.617 464 G N 1.925 110.676 108.800 -0.081 0.000 2.707 464 G HA2 0.237 4.197 3.960 -0.001 0.000 0.204 464 G HA3 0.237 4.197 3.960 -0.001 0.000 0.204 464 G C 1.414 175.714 174.900 -0.999 0.000 1.435 464 G CA 0.033 45.030 45.100 -0.171 0.000 0.890 464 G HN 0.727 nan 8.290 nan 0.000 0.552 465 A N -0.198 122.051 122.820 -0.952 0.000 2.268 465 A HA 0.376 4.696 4.320 -0.001 0.000 0.221 465 A C 1.894 179.123 177.584 -0.592 0.000 1.287 465 A CA -0.018 51.394 52.037 -1.040 0.000 0.902 465 A CB -0.573 18.169 19.000 -0.429 0.000 0.877 465 A HN 0.422 nan 8.150 nan 0.000 0.487 466 I N -2.277 117.978 120.570 -0.526 0.000 2.876 466 I HA -0.146 4.023 4.170 -0.001 0.000 0.264 466 I C 1.424 177.206 176.117 -0.559 0.000 1.204 466 I CA 1.028 62.034 61.300 -0.490 0.000 1.485 466 I CB -0.198 37.500 38.000 -0.503 0.000 1.103 466 I HN 0.463 nan 8.210 nan 0.000 0.446 467 Y N 0.166 120.248 120.300 -0.364 0.000 2.511 467 Y HA 0.108 4.657 4.550 -0.001 0.000 0.279 467 Y C 2.418 178.216 175.900 -0.170 0.000 1.157 467 Y CA 0.249 58.211 58.100 -0.229 0.000 1.300 467 Y CB -0.007 38.364 38.460 -0.149 0.000 1.052 467 Y HN -0.012 nan 8.280 nan 0.000 0.529 468 R N -0.376 120.022 120.500 -0.170 0.000 2.334 468 R HA 0.014 4.353 4.340 -0.001 0.000 0.212 468 R C 1.279 177.410 176.300 -0.281 0.000 0.897 468 R CA 0.153 56.201 56.100 -0.086 0.000 1.056 468 R CB 0.288 30.576 30.300 -0.020 0.000 1.046 468 R HN 0.093 nan 8.270 nan 0.000 0.513 469 Q N -0.630 118.929 119.800 -0.403 0.000 2.500 469 Q HA 0.041 4.380 4.340 -0.001 0.000 0.213 469 Q C -0.534 175.130 176.000 -0.559 0.000 0.974 469 Q CA 1.100 56.544 55.803 -0.598 0.000 0.918 469 Q CB 0.190 28.691 28.738 -0.394 0.000 0.980 469 Q HN 0.182 nan 8.270 nan 0.000 0.505 470 F N -4.390 115.513 119.950 -0.079 0.000 2.550 470 F HA 0.092 4.619 4.527 -0.001 0.000 0.269 470 F C 1.378 177.113 175.800 -0.108 0.000 1.288 470 F CA 0.277 58.229 58.000 -0.080 0.000 1.062 470 F CB -0.612 38.345 39.000 -0.073 0.000 2.161 470 F HN -0.211 nan 8.300 nan 0.000 0.183 471 S N -0.223 115.495 115.700 0.030 0.000 2.025 471 S HA -0.269 4.201 4.470 -0.001 0.000 0.231 471 S C 0.999 175.555 174.600 -0.072 0.000 1.075 471 S CA 1.614 59.711 58.200 -0.173 0.000 1.586 471 S CB -1.268 61.934 63.200 0.002 0.000 2.055 471 S HN 0.404 nan 8.310 nan 0.000 0.569 472 I N 1.247 121.856 120.570 0.065 0.000 2.193 472 I HA -0.054 4.116 4.170 -0.001 0.000 0.240 472 I C 2.515 178.456 176.117 -0.293 0.000 1.084 472 I CA 2.131 63.414 61.300 -0.029 0.000 1.365 472 I CB -0.805 37.249 38.000 0.090 0.000 1.064 472 I HN 0.359 nan 8.210 nan 0.000 0.410 473 T N 0.592 114.673 114.554 -0.789 0.000 2.867 473 T HA -0.027 4.322 4.350 -0.001 0.000 0.268 473 T C 1.802 176.227 174.700 -0.459 0.000 1.057 473 T CA 1.176 62.691 62.100 -0.975 0.000 1.136 473 T CB -0.292 67.422 68.868 -1.924 0.000 0.874 473 T HN 0.224 nan 8.240 nan 0.000 0.466 474 I N 0.345 120.692 120.570 -0.372 0.000 2.830 474 I HA -0.037 4.133 4.170 -0.001 0.000 0.263 474 I C 2.125 178.197 176.117 -0.075 0.000 1.230 474 I CA 0.447 61.559 61.300 -0.313 0.000 1.480 474 I CB -0.254 37.346 38.000 -0.668 0.000 1.095 474 I HN 0.080 nan 8.210 nan 0.000 0.455 475 V N -0.169 119.731 119.914 -0.022 0.000 2.500 475 V HA -0.126 3.993 4.120 -0.001 0.000 0.243 475 V C 2.429 178.518 176.094 -0.008 0.000 1.039 475 V CA 1.556 63.929 62.300 0.122 0.000 1.053 475 V CB 0.108 32.001 31.823 0.116 0.000 0.695 475 V HN 0.353 nan 8.190 nan 0.000 0.463 476 S N 1.188 116.816 115.700 -0.120 0.000 2.354 476 S HA -0.212 4.257 4.470 -0.001 0.000 0.219 476 S C 2.170 176.711 174.600 -0.099 0.000 1.035 476 S CA 1.624 59.742 58.200 -0.136 0.000 1.037 476 S CB -0.689 62.374 63.200 -0.229 0.000 0.956 476 S HN 0.630 nan 8.310 nan 0.000 0.428 477 A N 1.323 124.069 122.820 -0.122 0.000 2.131 477 A HA -0.040 4.280 4.320 -0.001 0.000 0.220 477 A C 2.001 179.578 177.584 -0.012 0.000 1.158 477 A CA 1.481 53.474 52.037 -0.074 0.000 0.665 477 A CB -0.621 18.329 19.000 -0.082 0.000 0.795 477 A HN 0.571 nan 8.150 nan 0.000 0.460 478 M N -0.997 118.615 119.600 0.020 0.000 2.299 478 M HA 0.095 4.574 4.480 -0.001 0.000 0.264 478 M C 2.171 178.491 176.300 0.034 0.000 1.095 478 M CA 1.500 56.840 55.300 0.067 0.000 1.165 478 M CB -0.239 32.459 32.600 0.162 0.000 1.349 478 M HN 0.327 nan 8.290 nan 0.000 0.446 479 A N 1.064 123.895 122.820 0.019 0.000 1.968 479 A HA -0.022 4.297 4.320 -0.001 0.000 0.217 479 A C 1.987 179.571 177.584 -0.000 0.000 1.169 479 A CA 0.809 52.851 52.037 0.008 0.000 0.638 479 A CB -0.656 18.345 19.000 0.003 0.000 0.812 479 A HN 0.554 nan 8.150 nan 0.000 0.446 480 L N -0.603 120.612 121.223 -0.014 0.000 2.109 480 L HA -0.074 4.265 4.340 -0.001 0.000 0.207 480 L C 2.685 179.551 176.870 -0.006 0.000 1.086 480 L CA 1.921 56.749 54.840 -0.019 0.000 0.760 480 L CB -1.029 41.001 42.059 -0.048 0.000 0.910 480 L HN 0.499 nan 8.230 nan 0.000 0.437 481 S N -0.956 114.745 115.700 0.001 0.000 2.453 481 S HA -0.082 4.387 4.470 -0.001 0.000 0.231 481 S C 1.708 176.318 174.600 0.017 0.000 1.005 481 S CA 0.603 58.811 58.200 0.014 0.000 0.949 481 S CB 0.175 63.391 63.200 0.026 0.000 0.774 481 S HN 0.210 nan 8.310 nan 0.000 0.510 482 V N 0.937 120.859 119.914 0.014 0.000 3.590 482 V HA 0.291 4.411 4.120 -0.001 0.000 0.265 482 V C 1.497 177.599 176.094 0.014 0.000 1.239 482 V CA 0.400 62.707 62.300 0.012 0.000 1.117 482 V CB 0.483 32.310 31.823 0.007 0.000 0.818 482 V HN 0.460 nan 8.190 nan 0.000 0.451 483 L N -1.347 119.885 121.223 0.015 0.000 2.519 483 L HA 0.199 4.538 4.340 -0.001 0.000 0.194 483 L C 2.260 179.148 176.870 0.029 0.000 1.072 483 L CA 1.429 56.282 54.840 0.021 0.000 0.845 483 L CB 0.195 42.266 42.059 0.020 0.000 1.138 483 L HN 0.152 nan 8.230 nan 0.000 0.487 484 V N 0.929 120.856 119.914 0.022 0.000 2.453 484 V HA -0.081 4.039 4.120 -0.001 0.000 0.247 484 V C 2.370 178.487 176.094 0.038 0.000 1.048 484 V CA 1.415 63.732 62.300 0.028 0.000 1.049 484 V CB -0.807 31.022 31.823 0.010 0.000 0.672 484 V HN 0.476 nan 8.190 nan 0.000 0.457 485 A N -1.330 121.508 122.820 0.030 0.000 2.291 485 A HA 0.257 4.577 4.320 -0.001 0.000 0.220 485 A C 1.692 179.294 177.584 0.029 0.000 1.262 485 A CA 0.545 52.601 52.037 0.032 0.000 0.867 485 A CB -0.123 18.893 19.000 0.027 0.000 0.888 485 A HN 0.453 nan 8.150 nan 0.000 0.487 486 L N -1.295 119.947 121.223 0.032 0.000 2.519 486 L HA 0.253 4.593 4.340 -0.001 0.000 0.194 486 L C 1.824 178.718 176.870 0.039 0.000 1.072 486 L CA 0.753 55.610 54.840 0.029 0.000 0.845 486 L CB -0.068 42.005 42.059 0.023 0.000 1.138 486 L HN 0.214 nan 8.230 nan 0.000 0.487 487 I N 0.043 120.645 120.570 0.054 0.000 2.163 487 I HA -0.139 4.030 4.170 -0.001 0.000 0.240 487 I C 1.652 177.822 176.117 0.089 0.000 1.081 487 I CA 1.003 62.350 61.300 0.079 0.000 1.353 487 I CB -0.998 37.065 38.000 0.104 0.000 1.054 487 I HN 0.197 nan 8.210 nan 0.000 0.407 488 L N -0.153 121.122 121.223 0.087 0.000 2.777 488 L HA 0.197 4.537 4.340 -0.001 0.000 0.195 488 L C 1.692 178.596 176.870 0.056 0.000 1.190 488 L CA 1.453 56.349 54.840 0.092 0.000 0.933 488 L CB 0.150 42.282 42.059 0.122 0.000 1.758 488 L HN 0.664 nan 8.230 nan 0.000 0.515 489 T N -3.882 110.699 114.554 0.046 0.000 13.467 489 T HA -0.271 4.078 4.350 -0.001 0.000 0.419 489 T C -0.965 173.737 174.700 0.004 0.000 1.441 489 T CA 1.013 63.126 62.100 0.022 0.000 2.354 489 T CB -3.303 65.579 68.868 0.024 0.000 2.797 489 T HN 0.496 nan 8.240 nan 0.000 0.557 490 P HA -0.114 nan 4.420 nan 0.000 0.219 490 P C 1.701 178.997 177.300 -0.007 0.000 1.151 490 P CA 2.810 65.911 63.100 0.002 0.000 0.850 490 P CB -0.744 30.962 31.700 0.010 0.000 0.784 491 A N -0.358 122.463 122.820 0.002 0.000 1.858 491 A HA -0.107 4.213 4.320 -0.001 0.000 0.216 491 A C 1.750 179.285 177.584 -0.082 0.000 1.190 491 A CA 1.179 53.209 52.037 -0.012 0.000 0.617 491 A CB -1.235 17.786 19.000 0.036 0.000 0.827 491 A HN 0.105 nan 8.150 nan 0.000 0.443 492 L N 0.162 121.323 121.223 -0.104 0.000 2.968 492 L HA 0.116 4.456 4.340 -0.001 0.000 0.235 492 L C 0.393 177.203 176.870 -0.099 0.000 1.323 492 L CA 0.365 55.104 54.840 -0.169 0.000 1.159 492 L CB -0.586 41.353 42.059 -0.201 0.000 1.523 492 L HN 0.561 nan 8.230 nan 0.000 0.468 493 C N -1.499 117.758 119.300 -0.071 0.000 3.095 493 C HA 0.221 4.681 4.460 -0.001 0.000 0.472 493 C C 2.464 177.426 174.990 -0.047 0.000 1.348 493 C CA 0.495 59.484 59.018 -0.048 0.000 2.206 493 C CB 0.361 28.084 27.740 -0.028 0.000 3.088 493 C HN 0.643 nan 8.230 nan 0.000 0.599 494 A N 1.373 124.163 122.820 -0.050 0.000 1.975 494 A HA -0.012 4.307 4.320 -0.001 0.000 0.215 494 A C 2.137 179.690 177.584 -0.052 0.000 1.170 494 A CA 2.130 54.142 52.037 -0.042 0.000 0.656 494 A CB -0.901 18.081 19.000 -0.032 0.000 0.821 494 A HN 0.626 nan 8.150 nan 0.000 0.449 495 T N -1.866 112.638 114.554 -0.082 0.000 2.564 495 T HA 0.027 4.376 4.350 -0.001 0.000 0.259 495 T C 0.782 175.438 174.700 -0.073 0.000 1.087 495 T CA 1.154 63.195 62.100 -0.097 0.000 1.184 495 T CB -0.274 68.488 68.868 -0.177 0.000 0.864 495 T HN 0.233 nan 8.240 nan 0.000 0.403 496 M N 1.205 120.757 119.600 -0.080 0.000 2.053 496 M HA 0.612 5.092 4.480 -0.001 0.000 0.297 496 M C -1.307 174.974 176.300 -0.032 0.000 0.921 496 M CA -0.583 54.690 55.300 -0.045 0.000 0.918 496 M CB 2.205 34.782 32.600 -0.037 0.000 1.499 496 M HN 0.291 nan 8.290 nan 0.000 0.422 497 L N 2.049 123.260 121.223 -0.021 0.000 3.060 497 L HA 0.686 5.025 4.340 -0.001 0.000 0.235 497 L C -0.462 176.404 176.870 -0.006 0.000 1.868 497 L CA -0.009 54.821 54.840 -0.015 0.000 1.901 497 L CB 0.763 42.809 42.059 -0.023 0.000 2.022 497 L HN 0.695 nan 8.230 nan 0.000 0.554 514 G N 0.362 108.785 108.800 -0.629 0.000 1.968 514 G HA2 0.213 4.172 3.960 -0.001 0.000 0.183 514 G HA3 0.213 4.172 3.960 -0.001 0.000 0.183 514 G C -0.920 173.384 174.900 -0.994 0.000 1.665 514 G CA -0.310 44.330 45.100 -0.767 0.000 1.015 514 G HN 0.485 nan 8.290 nan 0.000 0.624 515 W N 2.027 122.824 121.300 -0.840 0.000 2.873 515 W HA 0.151 4.810 4.660 -0.001 0.000 0.282 515 W C 1.680 177.962 176.519 -0.395 0.000 1.118 515 W CA -0.121 56.917 57.345 -0.511 0.000 1.480 515 W CB -0.242 28.939 29.460 -0.467 0.000 0.954 515 W HN 0.622 nan 8.180 nan 0.000 0.591 516 F N 1.126 121.192 119.950 0.193 0.000 2.583 516 F HA -0.019 4.508 4.527 -0.001 0.000 0.297 516 F C 1.644 177.527 175.800 0.139 0.000 1.131 516 F CA 0.649 58.727 58.000 0.130 0.000 1.467 516 F CB -1.640 37.436 39.000 0.126 0.000 1.097 516 F HN -0.081 nan 8.300 nan 0.000 0.586 517 N N 0.936 119.718 118.700 0.137 0.000 2.223 517 N HA -0.166 4.573 4.740 -0.001 0.000 0.185 517 N C 1.974 177.564 175.510 0.133 0.000 1.016 517 N CA 0.739 53.854 53.050 0.108 0.000 0.863 517 N CB -0.136 38.352 38.487 0.002 0.000 0.983 517 N HN 0.287 nan 8.380 nan 0.000 0.429 518 R N 1.070 121.631 120.500 0.102 0.000 2.081 518 R HA -0.039 4.301 4.340 -0.001 0.000 0.235 518 R C 2.136 178.494 176.300 0.096 0.000 1.131 518 R CA 1.389 57.538 56.100 0.082 0.000 0.960 518 R CB 0.032 30.365 30.300 0.055 0.000 0.856 518 R HN 0.283 nan 8.270 nan 0.000 0.436 519 M N -2.431 117.239 119.600 0.116 0.000 2.337 519 M HA 0.148 4.627 4.480 -0.001 0.000 0.256 519 M C 1.074 177.446 176.300 0.121 0.000 1.075 519 M CA 0.896 56.248 55.300 0.087 0.000 1.024 519 M CB -0.331 32.278 32.600 0.015 0.000 1.429 519 M HN -0.031 nan 8.290 nan 0.000 0.497 520 F N 2.559 122.555 119.950 0.076 0.000 2.407 520 F HA -0.007 4.519 4.527 -0.001 0.000 0.299 520 F C 2.471 178.327 175.800 0.092 0.000 1.097 520 F CA 1.511 59.559 58.000 0.081 0.000 1.422 520 F CB 0.193 39.243 39.000 0.084 0.000 1.067 520 F HN 0.337 nan 8.300 nan 0.000 0.539 521 E N -0.157 120.211 120.200 0.281 0.000 2.122 521 E HA -0.126 4.224 4.350 -0.001 0.000 0.190 521 E C 1.859 178.623 176.600 0.272 0.000 0.977 521 E CA 0.485 57.035 56.400 0.250 0.000 0.820 521 E CB 0.166 29.999 29.700 0.222 0.000 0.770 521 E HN 0.133 nan 8.360 nan 0.000 0.462 522 K N 0.560 121.086 120.400 0.211 0.000 2.283 522 K HA -0.058 4.262 4.320 -0.001 0.000 0.202 522 K C 2.170 178.865 176.600 0.158 0.000 1.048 522 K CA 1.142 57.542 56.287 0.189 0.000 0.948 522 K CB -0.039 32.500 32.500 0.066 0.000 0.742 522 K HN 0.154 nan 8.250 nan 0.000 0.458 523 S N -0.656 115.088 115.700 0.073 0.000 2.446 523 S HA 0.001 4.471 4.470 -0.001 0.000 0.225 523 S C 1.858 176.529 174.600 0.119 0.000 1.016 523 S CA 0.772 58.974 58.200 0.003 0.000 0.943 523 S CB 0.028 63.102 63.200 -0.210 0.000 0.786 523 S HN 0.125 nan 8.310 nan 0.000 0.508 524 T N 0.725 115.353 114.554 0.123 0.000 3.031 524 T HA 0.162 4.512 4.350 -0.001 0.000 0.236 524 T C 1.637 176.412 174.700 0.124 0.000 1.005 524 T CA 0.954 63.129 62.100 0.125 0.000 1.230 524 T CB -0.736 68.212 68.868 0.134 0.000 0.913 524 T HN 0.528 nan 8.240 nan 0.000 0.419 525 H N 0.557 119.640 119.070 0.022 0.000 2.428 525 H HA 0.043 4.598 4.556 -0.001 0.000 0.296 525 H C 1.740 176.928 175.328 -0.234 0.000 1.062 525 H CA 1.581 57.556 56.048 -0.121 0.000 1.350 525 H CB -0.044 29.607 29.762 -0.185 0.000 1.403 525 H HN 0.468 nan 8.280 nan 0.000 0.533 526 H N -2.648 116.425 119.070 0.005 0.000 2.592 526 H HA 0.113 4.669 4.556 -0.001 0.000 0.265 526 H C 0.764 176.065 175.328 -0.045 0.000 0.955 526 H CA 0.752 56.759 56.048 -0.067 0.000 1.175 526 H CB 0.503 30.265 29.762 -0.001 0.000 1.433 526 H HN 0.336 nan 8.280 nan 0.000 0.537 527 Y N 0.108 120.396 120.300 -0.021 0.000 2.893 527 Y HA 0.007 4.556 4.550 -0.001 0.000 0.195 527 Y C 2.326 178.183 175.900 -0.071 0.000 0.964 527 Y CA 0.786 58.855 58.100 -0.051 0.000 1.596 527 Y CB -0.083 38.385 38.460 0.014 0.000 1.247 527 Y HN -0.087 nan 8.280 nan 0.000 0.464 528 T N 1.154 115.744 114.554 0.059 0.000 2.620 528 T HA -0.245 4.104 4.350 -0.001 0.000 0.267 528 T C 1.112 175.717 174.700 -0.159 0.000 1.044 528 T CA 2.251 64.303 62.100 -0.081 0.000 1.161 528 T CB -0.535 68.353 68.868 0.034 0.000 0.862 528 T HN 0.390 nan 8.240 nan 0.000 0.438 529 D N 0.118 120.449 120.400 -0.115 0.000 2.149 529 D HA 0.017 4.656 4.640 -0.001 0.000 0.201 529 D C 2.330 178.527 176.300 -0.171 0.000 0.972 529 D CA 0.850 54.774 54.000 -0.127 0.000 0.835 529 D CB -0.520 40.214 40.800 -0.110 0.000 0.966 529 D HN 0.300 nan 8.370 nan 0.000 0.476 530 S N -0.436 115.132 115.700 -0.220 0.000 2.406 530 S HA -0.072 4.398 4.470 -0.001 0.000 0.228 530 S C 2.010 176.491 174.600 -0.197 0.000 1.020 530 S CA 0.456 58.529 58.200 -0.211 0.000 0.965 530 S CB -0.153 62.904 63.200 -0.237 0.000 0.798 530 S HN 0.012 nan 8.310 nan 0.000 0.488 531 V N 1.515 121.251 119.914 -0.296 0.000 2.295 531 V HA -0.083 4.037 4.120 -0.001 0.000 0.246 531 V C 2.675 178.687 176.094 -0.138 0.000 1.049 531 V CA 1.875 64.007 62.300 -0.280 0.000 1.024 531 V CB -1.423 30.066 31.823 -0.556 0.000 0.648 531 V HN 0.623 nan 8.190 nan 0.000 0.447 532 G N -0.351 108.358 108.800 -0.153 0.000 2.586 532 G HA2 -0.048 3.911 3.960 -0.001 0.000 0.215 532 G HA3 -0.048 3.911 3.960 -0.001 0.000 0.215 532 G C 1.214 176.092 174.900 -0.036 0.000 1.128 532 G CA 0.750 45.798 45.100 -0.087 0.000 0.774 532 G HN 0.633 nan 8.290 nan 0.000 0.543 533 G N 0.196 108.978 108.800 -0.030 0.000 3.434 533 G HA2 0.342 4.302 3.960 -0.001 0.000 0.258 533 G HA3 0.342 4.302 3.960 -0.001 0.000 0.258 533 G C 1.185 176.139 174.900 0.091 0.000 1.128 533 G CA 0.461 45.568 45.100 0.011 0.000 0.792 533 G HN 0.577 nan 8.290 nan 0.000 0.539 534 I N -2.413 118.245 120.570 0.146 0.000 4.124 534 I HA 0.265 4.435 4.170 -0.001 0.000 0.311 534 I C 1.771 178.101 176.117 0.356 0.000 1.259 534 I CA -0.047 61.453 61.300 0.335 0.000 1.315 534 I CB 0.082 38.300 38.000 0.364 0.000 1.223 534 I HN -0.050 nan 8.210 nan 0.000 0.441 535 L N 0.180 121.513 121.223 0.182 0.000 2.492 535 L HA 0.209 4.549 4.340 -0.001 0.000 0.223 535 L C 2.392 179.261 176.870 -0.001 0.000 1.132 535 L CA 1.033 55.859 54.840 -0.023 0.000 0.850 535 L CB -1.741 40.254 42.059 -0.105 0.000 0.966 535 L HN 0.386 nan 8.230 nan 0.000 0.454 536 R N 1.817 122.343 120.500 0.043 0.000 2.159 536 R HA -0.107 4.232 4.340 -0.001 0.000 0.237 536 R C 0.969 177.293 176.300 0.042 0.000 1.131 536 R CA 1.600 57.718 56.100 0.031 0.000 0.982 536 R CB 0.190 30.510 30.300 0.033 0.000 0.868 536 R HN 0.632 nan 8.270 nan 0.000 0.453 537 S N -2.152 113.600 115.700 0.088 0.000 2.941 537 S HA 0.144 4.613 4.470 -0.001 0.000 0.248 537 S C 0.653 175.329 174.600 0.127 0.000 0.962 537 S CA -0.388 57.860 58.200 0.080 0.000 1.092 537 S CB 0.752 63.991 63.200 0.066 0.000 1.113 537 S HN 0.117 nan 8.310 nan 0.000 0.512 538 T N 2.761 117.388 114.554 0.122 0.000 2.502 538 T HA -0.267 4.082 4.350 -0.001 0.000 0.238 538 T C 1.989 176.824 174.700 0.226 0.000 1.324 538 T CA 2.637 64.831 62.100 0.158 0.000 1.111 538 T CB -1.617 67.191 68.868 -0.099 0.000 0.835 538 T HN 1.195 nan 8.240 nan 0.000 0.449 539 G N 1.979 110.831 108.800 0.087 0.000 2.850 539 G HA2 -0.495 3.465 3.960 -0.001 0.000 0.353 539 G HA3 -0.495 3.465 3.960 -0.001 0.000 0.353 539 G C 1.124 176.043 174.900 0.033 0.000 0.983 539 G CA 1.574 46.697 45.100 0.039 0.000 0.832 539 G HN 0.650 nan 8.290 nan 0.000 0.889 540 R N 0.567 121.015 120.500 -0.086 0.000 2.293 540 R HA -0.015 4.324 4.340 -0.001 0.000 0.219 540 R C 2.336 178.592 176.300 -0.074 0.000 1.091 540 R CA 1.756 57.785 56.100 -0.118 0.000 1.004 540 R CB -0.462 29.726 30.300 -0.188 0.000 0.865 540 R HN 0.731 nan 8.270 nan 0.000 0.469 541 Y N 0.016 120.414 120.300 0.163 0.000 2.574 541 Y HA -0.150 4.400 4.550 -0.001 0.000 0.294 541 Y C 2.024 178.053 175.900 0.214 0.000 1.142 541 Y CA 0.026 58.245 58.100 0.200 0.000 1.314 541 Y CB 0.015 38.682 38.460 0.346 0.000 0.991 541 Y HN 0.075 nan 8.280 nan 0.000 0.555 542 L N -0.936 120.461 121.223 0.290 0.000 2.201 542 L HA -0.128 4.212 4.340 -0.001 0.000 0.212 542 L C 1.745 178.716 176.870 0.169 0.000 1.105 542 L CA 1.336 56.308 54.840 0.221 0.000 0.775 542 L CB -0.173 41.970 42.059 0.140 0.000 0.913 542 L HN 0.040 nan 8.230 nan 0.000 0.440 543 V N -1.629 118.359 119.914 0.124 0.000 3.085 543 V HA -0.032 4.087 4.120 -0.001 0.000 0.245 543 V C 2.069 178.206 176.094 0.072 0.000 1.114 543 V CA 0.837 63.179 62.300 0.070 0.000 1.108 543 V CB 0.257 32.098 31.823 0.030 0.000 0.798 543 V HN 0.372 nan 8.190 nan 0.000 0.471 544 L N -0.487 120.801 121.223 0.109 0.000 2.187 544 L HA -0.216 4.124 4.340 -0.001 0.000 0.213 544 L C 2.254 179.202 176.870 0.130 0.000 1.100 544 L CA 2.037 56.941 54.840 0.106 0.000 0.765 544 L CB -0.203 41.952 42.059 0.160 0.000 0.904 544 L HN 0.552 nan 8.230 nan 0.000 0.437 545 Y N -1.223 119.106 120.300 0.049 0.000 2.503 545 Y HA 0.031 4.581 4.550 -0.001 0.000 0.278 545 Y C 1.825 177.730 175.900 0.009 0.000 1.111 545 Y CA 0.712 58.819 58.100 0.012 0.000 1.270 545 Y CB 0.172 38.642 38.460 0.016 0.000 1.063 545 Y HN 0.102 nan 8.280 nan 0.000 0.548 546 L N -0.264 120.894 121.223 -0.108 0.000 2.492 546 L HA 0.063 4.403 4.340 -0.001 0.000 0.223 546 L C 1.424 178.213 176.870 -0.136 0.000 1.132 546 L CA 0.453 55.186 54.840 -0.178 0.000 0.850 546 L CB -0.008 42.022 42.059 -0.048 0.000 0.966 546 L HN 0.288 nan 8.230 nan 0.000 0.454 547 I N -1.420 119.095 120.570 -0.091 0.000 3.860 547 I HA -0.001 4.168 4.170 -0.001 0.000 0.319 547 I C 1.497 177.565 176.117 -0.082 0.000 1.279 547 I CA 0.694 61.953 61.300 -0.068 0.000 1.220 547 I CB 0.434 38.414 38.000 -0.034 0.000 1.027 547 I HN 0.085 nan 8.210 nan 0.000 0.428 548 I N -1.361 119.133 120.570 -0.127 0.000 2.927 548 I HA -0.018 4.151 4.170 -0.001 0.000 0.268 548 I C 2.164 178.168 176.117 -0.189 0.000 1.153 548 I CA 0.871 62.096 61.300 -0.125 0.000 1.459 548 I CB -0.042 37.918 38.000 -0.066 0.000 1.149 548 I HN -0.077 nan 8.210 nan 0.000 0.443 549 V N 0.105 119.821 119.914 -0.330 0.000 2.307 549 V HA -0.170 3.950 4.120 -0.001 0.000 0.245 549 V C 1.807 177.796 176.094 -0.175 0.000 1.045 549 V CA 1.469 63.585 62.300 -0.307 0.000 1.024 549 V CB -0.334 31.215 31.823 -0.457 0.000 0.651 549 V HN 0.203 nan 8.190 nan 0.000 0.449 550 V N 0.447 120.275 119.914 -0.143 0.000 3.499 550 V HA 0.289 4.409 4.120 -0.001 0.000 0.308 550 V C 1.853 177.922 176.094 -0.042 0.000 1.319 550 V CA 1.082 63.338 62.300 -0.074 0.000 1.194 550 V CB -0.310 31.478 31.823 -0.059 0.000 1.072 550 V HN 0.515 nan 8.190 nan 0.000 0.426 551 G N 1.036 109.800 108.800 -0.060 0.000 2.724 551 G HA2 0.009 3.969 3.960 -0.001 0.000 0.205 551 G HA3 0.009 3.969 3.960 -0.001 0.000 0.205 551 G C 1.312 176.199 174.900 -0.022 0.000 1.112 551 G CA 0.665 45.754 45.100 -0.018 0.000 0.793 551 G HN 0.601 nan 8.290 nan 0.000 0.526 552 M N 0.381 119.923 119.600 -0.097 0.000 2.541 552 M HA 0.585 5.065 4.480 -0.001 0.000 0.252 552 M C 2.225 178.343 176.300 -0.303 0.000 1.125 552 M CA 1.207 56.395 55.300 -0.187 0.000 1.091 552 M CB 0.344 32.825 32.600 -0.199 0.000 1.420 552 M HN 0.015 nan 8.290 nan 0.000 0.486 553 A N 0.312 123.037 122.820 -0.158 0.000 1.902 553 A HA -0.124 4.196 4.320 -0.001 0.000 0.217 553 A C 1.215 178.804 177.584 0.007 0.000 1.181 553 A CA 0.983 52.972 52.037 -0.080 0.000 0.623 553 A CB -0.947 18.060 19.000 0.012 0.000 0.818 553 A HN 0.680 nan 8.150 nan 0.000 0.443 554 Y N 0.502 120.761 120.300 -0.069 0.000 2.736 554 Y HA 0.428 4.977 4.550 -0.001 0.000 0.339 554 Y C 0.652 176.521 175.900 -0.051 0.000 1.301 554 Y CA -0.485 57.600 58.100 -0.024 0.000 1.676 554 Y CB 0.230 38.686 38.460 -0.006 0.000 1.725 554 Y HN 0.146 nan 8.280 nan 0.000 0.466 555 L N 3.114 124.184 121.223 -0.255 0.000 2.437 555 L HA 0.213 4.553 4.340 -0.001 0.000 0.188 555 L C 0.390 177.163 176.870 -0.161 0.000 1.123 555 L CA 0.578 55.275 54.840 -0.238 0.000 0.981 555 L CB -0.591 41.342 42.059 -0.209 0.000 1.935 555 L HN 0.382 nan 8.230 nan 0.000 0.494 556 F N -1.909 118.010 119.950 -0.051 0.000 2.294 556 F HA 0.492 5.018 4.527 -0.001 0.000 0.319 556 F C 1.757 177.516 175.800 -0.068 0.000 1.107 556 F CA -0.502 57.475 58.000 -0.039 0.000 1.094 556 F CB 0.329 39.359 39.000 0.051 0.000 1.508 556 F HN -0.180 nan 8.300 nan 0.000 0.506 557 V N -1.805 118.334 119.914 0.375 0.000 0.497 557 V HA -0.363 3.756 4.120 -0.001 0.000 0.072 557 V C 1.887 178.013 176.094 0.053 0.000 2.746 557 V CA 1.897 64.294 62.300 0.162 0.000 3.772 557 V CB -1.522 30.423 31.823 0.203 0.000 1.136 557 V HN 0.943 nan 8.190 nan 0.000 1.139 558 R N -0.970 119.514 120.500 -0.027 0.000 2.127 558 R HA 0.211 4.551 4.340 -0.001 0.000 0.217 558 R C 0.658 176.940 176.300 -0.030 0.000 1.074 558 R CA 0.546 56.583 56.100 -0.105 0.000 0.991 558 R CB -0.141 29.970 30.300 -0.316 0.000 0.895 558 R HN 0.484 nan 8.270 nan 0.000 0.450 559 L N 2.527 123.765 121.223 0.026 0.000 2.380 559 L HA 0.193 4.532 4.340 -0.001 0.000 0.273 559 L C -1.991 174.897 176.870 0.030 0.000 1.138 559 L CA -1.395 53.465 54.840 0.033 0.000 0.832 559 L CB 0.547 42.652 42.059 0.076 0.000 1.124 559 L HN -0.053 nan 8.230 nan 0.000 0.454 560 P HA 0.140 nan 4.420 nan 0.000 0.276 560 P C -0.907 176.412 177.300 0.031 0.000 1.230 560 P CA -0.358 62.757 63.100 0.025 0.000 0.776 560 P CB 0.999 32.712 31.700 0.021 0.000 0.888 561 S N 1.920 117.646 115.700 0.044 0.000 2.475 561 S HA 0.290 4.759 4.470 -0.001 0.000 0.281 561 S C 0.156 174.804 174.600 0.080 0.000 1.198 561 S CA -0.464 57.769 58.200 0.054 0.000 1.063 561 S CB -0.049 63.175 63.200 0.041 0.000 0.972 561 S HN 0.397 nan 8.310 nan 0.000 0.486 562 S N 4.548 120.294 115.700 0.078 0.000 2.505 562 S HA 0.283 4.752 4.470 -0.001 0.000 0.276 562 S C 0.700 175.369 174.600 0.115 0.000 1.274 562 S CA -0.505 57.758 58.200 0.105 0.000 1.053 562 S CB -0.089 63.166 63.200 0.092 0.000 0.919 562 S HN 0.732 nan 8.310 nan 0.000 0.490 563 F N 4.480 124.436 119.950 0.010 0.000 2.037 563 F HA 0.360 4.887 4.527 -0.001 0.000 0.291 563 F C 0.515 176.291 175.800 -0.039 0.000 1.137 563 F CA 0.887 58.881 58.000 -0.010 0.000 1.178 563 F CB 0.222 39.213 39.000 -0.016 0.000 0.995 563 F HN 0.516 nan 8.300 nan 0.000 0.472 564 L N 0.043 121.426 121.223 0.266 0.000 2.588 564 L HA 0.414 4.754 4.340 -0.001 0.000 0.263 564 L C -2.784 174.168 176.870 0.137 0.000 0.935 564 L CA -1.689 53.235 54.840 0.140 0.000 0.891 564 L CB 1.358 43.481 42.059 0.107 0.000 1.318 564 L HN -0.179 nan 8.230 nan 0.000 0.409 565 P HA 0.172 nan 4.420 nan 0.000 0.265 565 P C -1.296 176.066 177.300 0.103 0.000 1.222 565 P CA -0.136 63.035 63.100 0.117 0.000 0.767 565 P CB 0.167 31.943 31.700 0.126 0.000 0.801 566 D N 2.865 123.314 120.400 0.082 0.000 2.363 566 D HA 0.018 4.657 4.640 -0.001 0.000 0.263 566 D C 0.044 176.397 176.300 0.089 0.000 1.258 566 D CA 0.031 54.075 54.000 0.074 0.000 0.907 566 D CB 0.900 41.732 40.800 0.053 0.000 1.107 566 D HN 0.275 nan 8.370 nan 0.000 0.495 567 E N 1.224 121.487 120.200 0.105 0.000 2.280 567 E HA 0.194 4.544 4.350 -0.001 0.000 0.264 567 E C -0.892 175.785 176.600 0.128 0.000 1.064 567 E CA -0.815 55.669 56.400 0.139 0.000 0.900 567 E CB 1.043 30.853 29.700 0.183 0.000 1.123 567 E HN 0.556 nan 8.360 nan 0.000 0.418 568 D N 1.182 121.683 120.400 0.169 0.000 2.308 568 D HA 0.019 4.659 4.640 -0.001 0.000 0.251 568 D C -0.040 176.399 176.300 0.231 0.000 1.127 568 D CA -0.112 53.969 54.000 0.135 0.000 0.876 568 D CB 1.068 41.919 40.800 0.086 0.000 1.176 568 D HN 0.215 nan 8.370 nan 0.000 0.446 569 Q N 2.687 122.541 119.800 0.090 0.000 2.198 569 Q HA 0.192 4.531 4.340 -0.001 0.000 0.209 569 Q C 1.254 177.290 176.000 0.059 0.000 0.848 569 Q CA 0.279 56.103 55.803 0.034 0.000 0.974 569 Q CB 1.165 29.824 28.738 -0.131 0.000 1.115 569 Q HN 0.950 nan 8.270 nan 0.000 0.494 570 G N 0.649 109.286 108.800 -0.271 0.000 2.212 570 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.266 570 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.266 570 G C 0.166 174.919 174.900 -0.245 0.000 0.978 570 G CA 0.463 45.232 45.100 -0.552 0.000 0.632 570 G HN 0.273 nan 8.290 nan 0.000 0.537 571 V N 0.593 120.438 119.914 -0.115 0.000 2.789 571 V HA 0.665 4.785 4.120 -0.001 0.000 0.300 571 V C -0.451 175.689 176.094 0.077 0.000 1.184 571 V CA -0.363 61.881 62.300 -0.094 0.000 0.930 571 V CB 1.767 33.395 31.823 -0.325 0.000 1.041 571 V HN 1.049 nan 8.190 nan 0.000 0.430 572 F N 4.096 124.029 119.950 -0.028 0.000 2.706 572 F HA 0.969 5.495 4.527 -0.001 0.000 0.328 572 F C -0.654 175.225 175.800 0.132 0.000 1.123 572 F CA -1.275 56.767 58.000 0.069 0.000 0.978 572 F CB 2.167 41.205 39.000 0.064 0.000 1.404 572 F HN 0.518 nan 8.300 nan 0.000 0.497 573 M N 0.774 120.398 119.600 0.040 0.000 2.550 573 M HA 0.648 5.127 4.480 -0.001 0.000 0.292 573 M C -1.269 174.869 176.300 -0.269 0.000 1.221 573 M CA -0.542 54.693 55.300 -0.108 0.000 0.873 573 M CB 2.144 34.940 32.600 0.327 0.000 1.727 573 M HN 0.784 nan 8.290 nan 0.000 0.459 574 T N 1.494 115.879 114.554 -0.282 0.000 2.937 574 T HA 0.899 5.248 4.350 -0.001 0.000 0.283 574 T C -0.883 173.693 174.700 -0.206 0.000 1.012 574 T CA -0.705 61.255 62.100 -0.234 0.000 0.997 574 T CB 1.303 70.120 68.868 -0.085 0.000 1.136 574 T HN 0.843 nan 8.240 nan 0.000 0.551 575 M N 1.061 120.626 119.600 -0.059 0.000 2.531 575 M HA 0.808 5.288 4.480 -0.001 0.000 0.286 575 M C -2.100 174.259 176.300 0.098 0.000 1.232 575 M CA -0.723 54.659 55.300 0.137 0.000 0.877 575 M CB 1.825 34.692 32.600 0.445 0.000 1.726 575 M HN 0.223 nan 8.290 nan 0.000 0.463 576 V N 1.639 121.611 119.914 0.096 0.000 2.638 576 V HA 0.809 4.929 4.120 -0.001 0.000 0.306 576 V C -1.176 174.976 176.094 0.097 0.000 1.052 576 V CA -0.323 62.001 62.300 0.040 0.000 0.885 576 V CB 1.692 33.494 31.823 -0.035 0.000 0.999 576 V HN 0.949 nan 8.190 nan 0.000 0.424 577 Q N 3.357 123.212 119.800 0.090 0.000 2.305 577 Q HA 0.686 5.025 4.340 -0.001 0.000 0.271 577 Q C -1.962 174.071 176.000 0.055 0.000 1.046 577 Q CA -0.353 55.510 55.803 0.100 0.000 0.798 577 Q CB 1.986 30.823 28.738 0.165 0.000 1.286 577 Q HN 0.623 nan 8.270 nan 0.000 0.435 578 L N 4.507 125.757 121.223 0.045 0.000 2.303 578 L HA 0.686 5.025 4.340 -0.001 0.000 0.266 578 L C -1.987 174.900 176.870 0.029 0.000 1.011 578 L CA -2.052 52.804 54.840 0.026 0.000 0.818 578 L CB 1.421 43.491 42.059 0.018 0.000 1.326 578 L HN 0.654 nan 8.230 nan 0.000 0.435 579 P HA 0.052 nan 4.420 nan 0.000 0.317 579 P C -0.641 176.669 177.300 0.018 0.000 1.316 579 P CA -0.321 62.788 63.100 0.015 0.000 0.744 579 P CB 0.321 32.025 31.700 0.006 0.000 1.521 580 A N 0.042 122.869 122.820 0.011 0.000 2.981 580 A HA 0.440 4.759 4.320 -0.001 0.000 0.280 580 A C 0.842 178.449 177.584 0.038 0.000 1.797 580 A CA 0.245 52.294 52.037 0.020 0.000 1.456 580 A CB -1.955 17.048 19.000 0.005 0.000 1.057 580 A HN 0.699 nan 8.150 nan 0.000 0.602 581 G N 1.191 110.017 108.800 0.044 0.000 2.344 581 G HA2 0.257 4.217 3.960 -0.001 0.000 0.204 581 G HA3 0.257 4.217 3.960 -0.001 0.000 0.204 581 G C 0.743 175.672 174.900 0.047 0.000 0.347 581 G CA 0.618 45.749 45.100 0.052 0.000 1.000 581 G HN 2.604 nan 8.290 nan 0.000 0.408 582 A N 0.693 123.531 122.820 0.031 0.000 2.089 582 A HA 0.344 4.664 4.320 -0.001 0.000 0.260 582 A C 1.165 178.766 177.584 0.027 0.000 1.378 582 A CA 1.772 53.823 52.037 0.024 0.000 0.714 582 A CB -1.880 17.133 19.000 0.022 0.000 1.180 582 A HN 2.828 nan 8.150 nan 0.000 0.304 583 T N -1.247 113.320 114.554 0.021 0.000 2.884 583 T HA 0.588 4.937 4.350 -0.001 0.000 0.277 583 T C 1.137 175.844 174.700 0.013 0.000 0.976 583 T CA 0.401 62.513 62.100 0.021 0.000 0.956 583 T CB 1.163 70.041 68.868 0.016 0.000 1.113 583 T HN 0.714 nan 8.240 nan 0.000 0.554 584 Q N -0.296 119.512 119.800 0.014 0.000 2.197 584 Q HA -0.241 4.098 4.340 -0.001 0.000 0.207 584 Q C 2.024 178.023 176.000 -0.003 0.000 0.984 584 Q CA 2.119 57.928 55.803 0.010 0.000 0.869 584 Q CB -0.148 28.601 28.738 0.018 0.000 0.906 584 Q HN 0.851 nan 8.270 nan 0.000 0.426 585 E N -0.049 120.146 120.200 -0.008 0.000 2.072 585 E HA -0.132 4.218 4.350 -0.001 0.000 0.190 585 E C 1.869 178.460 176.600 -0.016 0.000 0.982 585 E CA 0.982 57.373 56.400 -0.016 0.000 0.803 585 E CB 0.105 29.793 29.700 -0.020 0.000 0.755 585 E HN 0.183 nan 8.360 nan 0.000 0.453 586 R N -0.274 120.220 120.500 -0.010 0.000 2.148 586 R HA -0.063 4.277 4.340 -0.001 0.000 0.227 586 R C 2.388 178.679 176.300 -0.015 0.000 1.103 586 R CA 1.681 57.775 56.100 -0.011 0.000 0.983 586 R CB -0.483 29.814 30.300 -0.004 0.000 0.874 586 R HN 0.446 nan 8.270 nan 0.000 0.451 587 T N -2.041 112.506 114.554 -0.012 0.000 2.976 587 T HA -0.024 4.325 4.350 -0.001 0.000 0.257 587 T C 1.886 176.569 174.700 -0.029 0.000 1.051 587 T CA 0.159 62.249 62.100 -0.017 0.000 1.141 587 T CB 0.032 68.897 68.868 -0.005 0.000 0.881 587 T HN -0.085 nan 8.240 nan 0.000 0.461 588 Q N 1.642 121.426 119.800 -0.028 0.000 2.181 588 Q HA -0.117 4.222 4.340 -0.001 0.000 0.205 588 Q C 2.263 178.240 176.000 -0.039 0.000 0.980 588 Q CA 1.723 57.504 55.803 -0.036 0.000 0.862 588 Q CB -0.319 28.399 28.738 -0.032 0.000 0.905 588 Q HN 0.751 nan 8.270 nan 0.000 0.429 589 K N -0.327 120.052 120.400 -0.035 0.000 2.057 589 K HA -0.117 4.202 4.320 -0.001 0.000 0.207 589 K C 1.904 178.480 176.600 -0.040 0.000 1.049 589 K CA 1.553 57.818 56.287 -0.037 0.000 0.931 589 K CB 0.051 32.531 32.500 -0.034 0.000 0.714 589 K HN 0.037 nan 8.250 nan 0.000 0.440 590 V N 1.179 121.067 119.914 -0.043 0.000 2.379 590 V HA -0.185 3.934 4.120 -0.001 0.000 0.245 590 V C 2.201 178.253 176.094 -0.069 0.000 1.044 590 V CA 1.263 63.531 62.300 -0.055 0.000 1.036 590 V CB -0.393 31.394 31.823 -0.059 0.000 0.664 590 V HN 0.231 nan 8.190 nan 0.000 0.453 591 L N 0.574 121.756 121.223 -0.067 0.000 2.362 591 L HA -0.040 4.300 4.340 -0.001 0.000 0.219 591 L C 2.146 178.989 176.870 -0.045 0.000 1.134 591 L CA 1.247 56.041 54.840 -0.078 0.000 0.807 591 L CB -0.732 41.273 42.059 -0.089 0.000 0.927 591 L HN 0.312 nan 8.230 nan 0.000 0.447 592 N N -0.350 118.332 118.700 -0.029 0.000 2.250 592 N HA -0.103 4.636 4.740 -0.001 0.000 0.181 592 N C 1.591 177.129 175.510 0.047 0.000 1.017 592 N CA 0.823 53.872 53.050 -0.000 0.000 0.866 592 N CB 0.075 38.548 38.487 -0.023 0.000 0.985 592 N HN 0.425 nan 8.380 nan 0.000 0.429 593 E N -0.017 120.198 120.200 0.025 0.000 2.347 593 E HA -0.032 4.318 4.350 -0.001 0.000 0.196 593 E C 1.484 178.214 176.600 0.217 0.000 1.008 593 E CA 0.416 56.861 56.400 0.075 0.000 0.852 593 E CB 0.362 30.080 29.700 0.030 0.000 0.783 593 E HN 0.111 nan 8.360 nan 0.000 0.505 594 V N 0.478 120.476 119.914 0.141 0.000 2.492 594 V HA -0.106 4.013 4.120 -0.001 0.000 0.241 594 V C 1.787 178.103 176.094 0.371 0.000 1.041 594 V CA 1.494 63.922 62.300 0.212 0.000 1.057 594 V CB -0.078 31.677 31.823 -0.113 0.000 0.711 594 V HN 0.180 nan 8.190 nan 0.000 0.468 595 T N -0.582 114.086 114.554 0.190 0.000 3.496 595 T HA -0.041 4.308 4.350 -0.001 0.000 0.253 595 T C 1.140 175.952 174.700 0.187 0.000 1.134 595 T CA 1.052 63.235 62.100 0.140 0.000 0.993 595 T CB -0.482 68.384 68.868 -0.004 0.000 1.018 595 T HN 0.694 nan 8.240 nan 0.000 0.571 596 H N -0.997 118.171 119.070 0.163 0.000 2.381 596 H HA 0.195 4.750 4.556 -0.001 0.000 0.252 596 H C 1.692 177.107 175.328 0.145 0.000 0.920 596 H CA -0.142 55.976 56.048 0.117 0.000 1.100 596 H CB -0.159 29.660 29.762 0.094 0.000 1.435 596 H HN 0.171 nan 8.280 nan 0.000 0.454 597 Y N 0.590 121.001 120.300 0.185 0.000 2.114 597 Y HA -0.355 4.194 4.550 -0.001 0.000 0.282 597 Y C 1.496 177.335 175.900 -0.102 0.000 1.165 597 Y CA 2.341 60.452 58.100 0.017 0.000 1.148 597 Y CB -0.638 37.839 38.460 0.028 0.000 0.972 597 Y HN 0.321 nan 8.280 nan 0.000 0.504 598 Y N -0.545 119.785 120.300 0.050 0.000 2.242 598 Y HA -0.181 4.369 4.550 -0.001 0.000 0.291 598 Y C 2.284 178.089 175.900 -0.158 0.000 1.137 598 Y CA 1.557 59.617 58.100 -0.067 0.000 1.181 598 Y CB -0.369 38.129 38.460 0.062 0.000 0.989 598 Y HN 0.108 nan 8.280 nan 0.000 0.527 599 L N -1.381 119.842 121.223 -0.000 0.000 2.418 599 L HA -0.069 4.271 4.340 -0.001 0.000 0.218 599 L C 1.838 178.596 176.870 -0.185 0.000 1.125 599 L CA 0.954 55.738 54.840 -0.093 0.000 0.835 599 L CB -0.264 41.740 42.059 -0.092 0.000 0.953 599 L HN 0.203 nan 8.230 nan 0.000 0.454 600 T N -0.871 113.508 114.554 -0.292 0.000 2.980 600 T HA -0.004 4.346 4.350 -0.001 0.000 0.239 600 T C 1.379 175.925 174.700 -0.256 0.000 1.011 600 T CA 0.456 62.360 62.100 -0.328 0.000 1.171 600 T CB 0.138 68.670 68.868 -0.560 0.000 0.873 600 T HN 0.177 nan 8.240 nan 0.000 0.431 601 K N 1.521 121.720 120.400 -0.335 0.000 2.593 601 K HA 0.340 4.660 4.320 -0.001 0.000 0.208 601 K C -0.102 176.272 176.600 -0.377 0.000 1.051 601 K CA 0.074 56.166 56.287 -0.325 0.000 1.111 601 K CB 0.650 32.966 32.500 -0.306 0.000 0.849 601 K HN 0.297 nan 8.250 nan 0.000 0.479 602 E N 1.359 121.371 120.200 -0.313 0.000 4.172 602 E HA 0.140 4.489 4.350 -0.001 0.000 0.197 602 E C -0.111 176.425 176.600 -0.106 0.000 1.088 602 E CA 0.014 56.284 56.400 -0.216 0.000 1.461 602 E CB 0.508 30.048 29.700 -0.267 0.000 1.180 602 E HN 0.151 nan 8.360 nan 0.000 0.419 603 K N -0.309 120.030 120.400 -0.101 0.000 2.097 603 K HA -0.116 4.204 4.320 -0.001 0.000 0.205 603 K C 1.273 177.847 176.600 -0.043 0.000 1.050 603 K CA 1.644 57.891 56.287 -0.068 0.000 0.938 603 K CB -0.198 32.261 32.500 -0.069 0.000 0.718 603 K HN 0.224 nan 8.250 nan 0.000 0.442 604 N N 0.084 118.758 118.700 -0.043 0.000 2.434 604 N HA -0.022 4.718 4.740 -0.001 0.000 0.196 604 N C 0.409 175.908 175.510 -0.018 0.000 1.183 604 N CA 0.481 53.514 53.050 -0.028 0.000 0.849 604 N CB 0.206 38.676 38.487 -0.028 0.000 0.992 604 N HN 0.246 nan 8.380 nan 0.000 0.460 605 N N -1.235 117.458 118.700 -0.011 0.000 2.441 605 N HA 0.110 4.849 4.740 -0.001 0.000 0.257 605 N C -1.068 174.457 175.510 0.024 0.000 1.058 605 N CA -0.236 52.819 53.050 0.007 0.000 0.853 605 N CB 0.947 39.451 38.487 0.028 0.000 1.694 605 N HN -0.102 nan 8.380 nan 0.000 0.542 606 V N 2.579 122.521 119.914 0.046 0.000 2.439 606 V HA 0.060 4.180 4.120 -0.001 0.000 0.271 606 V C 1.154 177.240 176.094 -0.012 0.000 1.040 606 V CA 0.454 62.781 62.300 0.045 0.000 1.002 606 V CB 1.155 33.040 31.823 0.105 0.000 1.000 606 V HN 0.276 nan 8.190 nan 0.000 0.477 607 E N 4.212 124.396 120.200 -0.026 0.000 2.051 607 E HA -0.027 4.322 4.350 -0.001 0.000 0.189 607 E C 0.742 177.307 176.600 -0.059 0.000 0.979 607 E CA 1.141 57.527 56.400 -0.023 0.000 0.803 607 E CB 0.306 30.006 29.700 -0.001 0.000 0.761 607 E HN 0.882 nan 8.360 nan 0.000 0.451 608 S N -1.571 114.070 115.700 -0.098 0.000 2.552 608 S HA 0.555 5.025 4.470 -0.001 0.000 0.272 608 S C -1.138 173.320 174.600 -0.236 0.000 1.150 608 S CA -0.915 57.145 58.200 -0.234 0.000 0.849 608 S CB 1.614 64.644 63.200 -0.284 0.000 1.113 608 S HN -0.019 nan 8.310 nan 0.000 0.458 609 V N 1.951 121.670 119.914 -0.325 0.000 2.459 609 V HA 0.617 4.736 4.120 -0.001 0.000 0.295 609 V C -1.085 174.912 176.094 -0.161 0.000 1.029 609 V CA -0.568 61.574 62.300 -0.264 0.000 0.874 609 V CB 1.185 32.850 31.823 -0.263 0.000 0.985 609 V HN 0.887 nan 8.190 nan 0.000 0.438 610 F N 4.223 124.039 119.950 -0.223 0.000 2.334 610 F HA 0.715 5.241 4.527 -0.001 0.000 0.343 610 F C 0.720 176.308 175.800 -0.353 0.000 1.136 610 F CA -0.784 57.114 58.000 -0.169 0.000 1.237 610 F CB 0.267 39.257 39.000 -0.017 0.000 1.525 610 F HN 0.608 nan 8.300 nan 0.000 0.528 611 A N 3.619 126.147 122.820 -0.486 0.000 2.492 611 A HA 0.537 4.857 4.320 -0.001 0.000 0.254 611 A C -0.709 176.530 177.584 -0.575 0.000 1.091 611 A CA -0.165 51.600 52.037 -0.452 0.000 0.768 611 A CB 0.091 18.916 19.000 -0.292 0.000 1.028 611 A HN 0.411 nan 8.150 nan 0.000 0.498 612 V N 4.406 124.031 119.914 -0.483 0.000 2.380 612 V HA 0.209 4.328 4.120 -0.001 0.000 0.286 612 V C -0.212 175.797 176.094 -0.143 0.000 1.015 612 V CA -0.893 61.195 62.300 -0.354 0.000 0.834 612 V CB 1.279 32.858 31.823 -0.407 0.000 1.009 612 V HN 0.907 nan 8.190 nan 0.000 0.428 613 N N 3.444 122.095 118.700 -0.082 0.000 2.419 613 N HA 0.533 5.273 4.740 -0.001 0.000 0.264 613 N C 0.643 176.184 175.510 0.053 0.000 1.031 613 N CA 1.156 54.196 53.050 -0.018 0.000 0.951 613 N CB 1.376 39.843 38.487 -0.033 0.000 1.101 613 N HN 1.072 nan 8.380 nan 0.000 0.488 614 G N 2.505 111.352 108.800 0.077 0.000 2.356 614 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.233 614 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.233 614 G C -0.404 174.580 174.900 0.140 0.000 1.105 614 G CA 0.123 45.276 45.100 0.088 0.000 0.861 614 G HN 0.570 nan 8.290 nan 0.000 0.493 615 F N 0.030 119.969 119.950 -0.019 0.000 1.963 615 F HA 0.591 5.117 4.527 -0.001 0.000 0.218 615 F C 1.695 177.458 175.800 -0.062 0.000 1.249 615 F CA 2.028 60.006 58.000 -0.037 0.000 1.294 615 F CB 0.060 39.045 39.000 -0.025 0.000 1.877 615 F HN 1.381 nan 8.300 nan 0.000 0.210 616 G N 1.091 110.083 108.800 0.319 0.000 2.749 616 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.242 616 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.242 616 G C -1.048 173.854 174.900 0.005 0.000 1.364 616 G CA -0.181 45.040 45.100 0.202 0.000 0.888 616 G HN 0.416 nan 8.290 nan 0.000 0.566 617 F N 0.061 120.151 119.950 0.233 0.000 2.538 617 F HA 0.633 5.159 4.527 -0.001 0.000 0.325 617 F C 1.149 176.995 175.800 0.076 0.000 1.066 617 F CA 1.018 59.114 58.000 0.160 0.000 0.946 617 F CB 1.901 41.007 39.000 0.177 0.000 1.199 617 F HN 1.910 nan 8.300 nan 0.000 0.473 618 A N 1.001 123.979 122.820 0.263 0.000 3.663 618 A HA 0.241 4.560 4.320 -0.001 0.000 0.254 618 A C 0.516 178.136 177.584 0.061 0.000 1.037 618 A CA 0.709 52.826 52.037 0.133 0.000 1.450 618 A CB -2.020 17.046 19.000 0.110 0.000 1.014 618 A HN 2.221 nan 8.150 nan 0.000 0.865 619 G N -2.091 106.716 108.800 0.012 0.000 2.352 619 G HA2 0.518 4.478 3.960 -0.001 0.000 0.305 619 G HA3 0.518 4.478 3.960 -0.001 0.000 0.305 619 G C -0.683 174.158 174.900 -0.098 0.000 1.537 619 G CA -0.071 44.999 45.100 -0.050 0.000 0.959 619 G HN 0.792 nan 8.290 nan 0.000 0.668 620 R N -0.661 119.756 120.500 -0.137 0.000 2.738 620 R HA 0.690 5.029 4.340 -0.001 0.000 0.275 620 R C 0.805 177.078 176.300 -0.045 0.000 1.121 620 R CA 0.994 57.014 56.100 -0.135 0.000 1.207 620 R CB 0.602 30.815 30.300 -0.144 0.000 1.141 620 R HN 1.923 nan 8.270 nan 0.000 0.571 621 G N -0.701 108.088 108.800 -0.018 0.000 2.333 621 G HA2 -0.094 3.866 3.960 -0.001 0.000 0.330 621 G HA3 -0.094 3.866 3.960 -0.001 0.000 0.330 621 G C -0.643 174.274 174.900 0.028 0.000 1.465 621 G CA -0.842 44.265 45.100 0.012 0.000 0.996 621 G HN 0.514 nan 8.290 nan 0.000 0.655 622 Q N -0.516 119.304 119.800 0.034 0.000 2.518 622 Q HA 0.027 4.367 4.340 -0.001 0.000 0.217 622 Q C 1.469 177.489 176.000 0.033 0.000 0.974 622 Q CA 0.590 56.415 55.803 0.035 0.000 0.971 622 Q CB 0.045 28.805 28.738 0.037 0.000 0.988 622 Q HN 0.406 nan 8.270 nan 0.000 0.536 623 N N -1.133 117.588 118.700 0.036 0.000 2.382 623 N HA -0.025 4.714 4.740 -0.001 0.000 0.200 623 N C 0.696 176.234 175.510 0.046 0.000 1.122 623 N CA 0.760 53.833 53.050 0.039 0.000 0.870 623 N CB 0.614 39.126 38.487 0.042 0.000 1.176 623 N HN 0.214 nan 8.380 nan 0.000 0.474 624 T N -2.282 112.304 114.554 0.053 0.000 4.143 624 T HA 0.645 4.994 4.350 -0.001 0.000 0.317 624 T C 0.654 175.395 174.700 0.068 0.000 1.184 624 T CA 0.057 62.202 62.100 0.075 0.000 0.934 624 T CB -0.237 68.681 68.868 0.083 0.000 2.144 624 T HN 0.267 nan 8.240 nan 0.000 0.495 625 G N 0.175 109.032 108.800 0.094 0.000 3.014 625 G HA2 0.380 4.340 3.960 -0.001 0.000 0.683 625 G HA3 0.380 4.340 3.960 -0.001 0.000 0.683 625 G C -1.106 173.808 174.900 0.023 0.000 1.271 625 G CA -0.518 44.614 45.100 0.054 0.000 0.843 625 G HN 1.302 nan 8.290 nan 0.000 0.612 626 I N -0.812 119.717 120.570 -0.068 0.000 3.264 626 I HA 1.055 5.225 4.170 -0.001 0.000 0.315 626 I C 0.063 175.944 176.117 -0.393 0.000 1.154 626 I CA -1.316 59.880 61.300 -0.174 0.000 0.962 626 I CB 2.022 39.953 38.000 -0.115 0.000 1.265 626 I HN 1.970 nan 8.210 nan 0.000 0.463 627 A N 1.583 124.133 122.820 -0.450 0.000 2.459 627 A HA 0.799 5.119 4.320 -0.001 0.000 0.296 627 A C -1.674 175.631 177.584 -0.465 0.000 1.039 627 A CA -0.336 51.390 52.037 -0.518 0.000 0.698 627 A CB 0.623 19.410 19.000 -0.355 0.000 1.261 627 A HN 0.483 nan 8.150 nan 0.000 0.405 628 F N 1.556 121.438 119.950 -0.113 0.000 2.404 628 F HA 0.517 5.043 4.527 -0.001 0.000 0.345 628 F C 0.352 176.012 175.800 -0.232 0.000 1.110 628 F CA -0.884 57.060 58.000 -0.094 0.000 1.130 628 F CB 1.578 40.612 39.000 0.057 0.000 1.129 628 F HN 0.228 nan 8.300 nan 0.000 0.500 629 V N 2.635 122.400 119.914 -0.249 0.000 2.370 629 V HA 0.360 4.479 4.120 -0.001 0.000 0.283 629 V C 0.058 176.012 176.094 -0.234 0.000 1.023 629 V CA -0.674 61.351 62.300 -0.458 0.000 0.857 629 V CB 1.419 32.603 31.823 -1.064 0.000 0.985 629 V HN 0.831 nan 8.190 nan 0.000 0.443 630 S N 5.131 120.756 115.700 -0.125 0.000 2.585 630 S HA 0.779 5.249 4.470 -0.001 0.000 0.277 630 S C -0.666 173.897 174.600 -0.062 0.000 1.241 630 S CA -0.430 57.729 58.200 -0.068 0.000 1.041 630 S CB 0.649 63.853 63.200 0.007 0.000 0.987 630 S HN 0.530 nan 8.310 nan 0.000 0.512 631 L N 3.610 124.789 121.223 -0.073 0.000 2.346 631 L HA 0.512 4.852 4.340 -0.001 0.000 0.274 631 L C -0.088 176.721 176.870 -0.102 0.000 1.007 631 L CA -0.765 54.025 54.840 -0.083 0.000 0.818 631 L CB 1.738 43.717 42.059 -0.134 0.000 1.284 631 L HN 0.578 nan 8.230 nan 0.000 0.424 632 K N 3.082 123.439 120.400 -0.071 0.000 2.166 632 K HA 0.036 4.356 4.320 -0.001 0.000 0.273 632 K C -0.143 176.420 176.600 -0.061 0.000 1.095 632 K CA 0.110 56.370 56.287 -0.044 0.000 0.985 632 K CB -0.151 32.337 32.500 -0.020 0.000 1.172 632 K HN 0.570 nan 8.250 nan 0.000 0.401 633 D N 1.002 121.375 120.400 -0.045 0.000 3.245 633 D HA -0.263 4.377 4.640 -0.001 0.000 0.196 633 D C 0.227 176.471 176.300 -0.094 0.000 1.370 633 D CA 1.821 55.842 54.000 0.034 0.000 1.087 633 D CB -0.310 40.553 40.800 0.105 0.000 0.612 633 D HN 0.563 nan 8.370 nan 0.000 0.704 634 W N -1.269 120.057 121.300 0.043 0.000 3.728 634 W HA 0.529 5.189 4.660 -0.001 0.000 0.210 634 W C 2.051 178.594 176.519 0.039 0.000 1.105 634 W CA 0.880 58.255 57.345 0.050 0.000 1.561 634 W CB -0.821 28.673 29.460 0.058 0.000 0.718 634 W HN 0.408 nan 8.180 nan 0.000 0.847 635 A N 0.209 123.183 122.820 0.257 0.000 2.119 635 A HA -0.075 4.245 4.320 -0.001 0.000 0.217 635 A C 1.135 178.777 177.584 0.096 0.000 1.153 635 A CA 1.753 53.880 52.037 0.150 0.000 0.692 635 A CB -0.461 18.609 19.000 0.117 0.000 0.799 635 A HN 0.098 nan 8.150 nan 0.000 0.458 636 D N 0.035 120.484 120.400 0.081 0.000 2.355 636 D HA -0.013 4.627 4.640 -0.001 0.000 0.218 636 D C 0.774 177.091 176.300 0.028 0.000 1.004 636 D CA 0.516 54.541 54.000 0.043 0.000 0.880 636 D CB 0.102 40.918 40.800 0.027 0.000 0.911 636 D HN 0.582 nan 8.370 nan 0.000 0.528 637 R N 0.028 120.551 120.500 0.039 0.000 2.513 637 R HA 0.324 4.663 4.340 -0.001 0.000 0.283 637 R C -2.577 173.755 176.300 0.054 0.000 1.535 637 R CA -1.383 54.733 56.100 0.028 0.000 1.315 637 R CB 1.022 31.320 30.300 -0.003 0.000 1.163 637 R HN -0.177 nan 8.270 nan 0.000 0.573 638 P HA -0.082 nan 4.420 nan 0.000 0.208 638 P C 0.940 178.270 177.300 0.051 0.000 1.200 638 P CA 1.272 64.406 63.100 0.055 0.000 0.924 638 P CB -0.033 31.691 31.700 0.040 0.000 0.774 639 G N -0.681 108.140 108.800 0.034 0.000 2.653 639 G HA2 -0.048 3.911 3.960 -0.001 0.000 0.265 639 G HA3 -0.048 3.911 3.960 -0.001 0.000 0.265 639 G C 0.799 175.715 174.900 0.028 0.000 1.237 639 G CA -0.160 44.957 45.100 0.029 0.000 0.946 639 G HN 0.212 nan 8.290 nan 0.000 0.522 640 E N -0.670 119.545 120.200 0.024 0.000 2.208 640 E HA -0.102 4.247 4.350 -0.001 0.000 0.193 640 E C 1.974 178.578 176.600 0.006 0.000 0.988 640 E CA 1.132 57.544 56.400 0.019 0.000 0.828 640 E CB 0.084 29.795 29.700 0.018 0.000 0.763 640 E HN 0.603 nan 8.360 nan 0.000 0.478 641 E N 0.178 120.379 120.200 0.002 0.000 2.418 641 E HA -0.069 4.280 4.350 -0.001 0.000 0.197 641 E C 1.284 177.878 176.600 -0.011 0.000 1.026 641 E CA 0.485 56.881 56.400 -0.007 0.000 0.862 641 E CB 0.074 29.769 29.700 -0.008 0.000 0.799 641 E HN 0.160 nan 8.360 nan 0.000 0.518 642 N N 0.281 118.979 118.700 -0.004 0.000 2.356 642 N HA 0.003 4.743 4.740 -0.001 0.000 0.178 642 N C 0.314 175.817 175.510 -0.012 0.000 1.075 642 N CA 0.446 53.493 53.050 -0.005 0.000 0.889 642 N CB 0.448 38.938 38.487 0.005 0.000 0.999 642 N HN 0.203 nan 8.380 nan 0.000 0.464 643 K N -0.578 119.813 120.400 -0.015 0.000 2.246 643 K HA 0.334 4.653 4.320 -0.001 0.000 0.239 643 K C 0.827 177.384 176.600 -0.072 0.000 1.089 643 K CA -0.432 55.832 56.287 -0.038 0.000 0.892 643 K CB 0.501 32.989 32.500 -0.020 0.000 1.334 643 K HN -0.330 nan 8.250 nan 0.000 0.507 644 V N 0.858 120.703 119.914 -0.116 0.000 3.488 644 V HA -0.104 4.016 4.120 -0.001 0.000 0.273 644 V C 2.082 178.083 176.094 -0.155 0.000 1.209 644 V CA 1.185 63.346 62.300 -0.232 0.000 1.179 644 V CB -1.139 30.510 31.823 -0.290 0.000 0.842 644 V HN 0.715 nan 8.190 nan 0.000 0.515 645 E N 1.457 121.616 120.200 -0.069 0.000 2.076 645 E HA -0.065 4.285 4.350 -0.001 0.000 0.190 645 E C 2.076 178.651 176.600 -0.041 0.000 0.979 645 E CA 1.525 57.904 56.400 -0.034 0.000 0.807 645 E CB 0.259 29.960 29.700 0.001 0.000 0.761 645 E HN 0.572 nan 8.360 nan 0.000 0.454 646 A N 0.122 122.915 122.820 -0.045 0.000 2.167 646 A HA 0.222 4.541 4.320 -0.001 0.000 0.208 646 A C 2.120 179.673 177.584 -0.051 0.000 1.198 646 A CA -0.247 51.768 52.037 -0.038 0.000 0.863 646 A CB -0.109 18.877 19.000 -0.023 0.000 0.904 646 A HN 0.156 nan 8.150 nan 0.000 0.484 647 I N 1.123 121.649 120.570 -0.074 0.000 2.163 647 I HA -0.277 3.892 4.170 -0.001 0.000 0.243 647 I C 2.817 178.894 176.117 -0.066 0.000 1.085 647 I CA 2.100 63.363 61.300 -0.062 0.000 1.347 647 I CB -0.362 37.595 38.000 -0.072 0.000 1.044 647 I HN 0.526 nan 8.210 nan 0.000 0.408 648 T N -1.550 112.909 114.554 -0.158 0.000 2.867 648 T HA -0.173 4.177 4.350 -0.001 0.000 0.268 648 T C 1.882 176.574 174.700 -0.013 0.000 1.057 648 T CA 0.667 62.719 62.100 -0.080 0.000 1.136 648 T CB -0.172 68.619 68.868 -0.129 0.000 0.874 648 T HN 0.146 nan 8.240 nan 0.000 0.466 649 M N 1.995 121.576 119.600 -0.033 0.000 2.098 649 M HA 0.029 4.509 4.480 -0.001 0.000 0.262 649 M C 2.568 178.839 176.300 -0.049 0.000 1.072 649 M CA 1.558 56.847 55.300 -0.019 0.000 1.133 649 M CB -0.591 31.999 32.600 -0.016 0.000 1.344 649 M HN 0.316 nan 8.290 nan 0.000 0.414 650 R N 0.521 120.984 120.500 -0.063 0.000 2.236 650 R HA 0.059 4.398 4.340 -0.001 0.000 0.208 650 R C 1.576 177.751 176.300 -0.208 0.000 1.036 650 R CA 1.261 57.307 56.100 -0.089 0.000 1.001 650 R CB -1.021 29.253 30.300 -0.044 0.000 0.896 650 R HN 0.330 nan 8.270 nan 0.000 0.464 651 A N 1.603 124.271 122.820 -0.253 0.000 1.854 651 A HA -0.122 4.198 4.320 -0.001 0.000 0.214 651 A C 2.307 179.502 177.584 -0.649 0.000 1.192 651 A CA 1.971 53.593 52.037 -0.690 0.000 0.611 651 A CB -1.125 17.693 19.000 -0.303 0.000 0.832 651 A HN 0.595 nan 8.150 nan 0.000 0.442 652 T N -1.449 113.024 114.554 -0.136 0.000 2.737 652 T HA -0.237 4.113 4.350 -0.001 0.000 0.269 652 T C 1.970 176.622 174.700 -0.080 0.000 1.040 652 T CA 1.579 63.691 62.100 0.020 0.000 1.142 652 T CB -0.353 68.573 68.868 0.097 0.000 0.861 652 T HN 0.498 nan 8.240 nan 0.000 0.456 653 R N 1.289 121.707 120.500 -0.135 0.000 2.075 653 R HA 0.129 4.469 4.340 -0.001 0.000 0.232 653 R C 2.734 178.918 176.300 -0.192 0.000 1.126 653 R CA 1.225 57.250 56.100 -0.125 0.000 0.963 653 R CB -0.617 29.625 30.300 -0.096 0.000 0.858 653 R HN 0.483 nan 8.270 nan 0.000 0.435 654 A N 0.108 122.706 122.820 -0.370 0.000 1.929 654 A HA -0.050 4.269 4.320 -0.001 0.000 0.216 654 A C 1.645 178.983 177.584 -0.410 0.000 1.176 654 A CA 0.822 52.586 52.037 -0.455 0.000 0.628 654 A CB -0.409 18.153 19.000 -0.729 0.000 0.816 654 A HN 0.256 nan 8.150 nan 0.000 0.444 655 F N 0.530 120.285 119.950 -0.324 0.000 2.016 655 F HA -0.035 4.491 4.527 -0.001 0.000 0.290 655 F C 2.668 178.356 175.800 -0.187 0.000 1.166 655 F CA 1.448 59.293 58.000 -0.259 0.000 1.156 655 F CB -1.168 37.685 39.000 -0.246 0.000 0.995 655 F HN 0.049 nan 8.300 nan 0.000 0.477 656 S N 0.065 115.788 115.700 0.037 0.000 2.584 656 S HA -0.157 4.313 4.470 -0.001 0.000 0.240 656 S C 1.930 176.499 174.600 -0.052 0.000 0.975 656 S CA 0.336 58.500 58.200 -0.059 0.000 0.949 656 S CB -0.407 62.713 63.200 -0.132 0.000 0.761 656 S HN 0.331 nan 8.310 nan 0.000 0.536 657 Q N 0.851 120.620 119.800 -0.051 0.000 2.084 657 Q HA -0.069 4.271 4.340 -0.001 0.000 0.202 657 Q C 0.760 176.738 176.000 -0.036 0.000 0.978 657 Q CA 1.075 56.849 55.803 -0.047 0.000 0.844 657 Q CB 0.044 28.745 28.738 -0.061 0.000 0.898 657 Q HN 0.711 nan 8.270 nan 0.000 0.426 658 I N -3.723 116.828 120.570 -0.032 0.000 3.264 658 I HA 0.473 4.642 4.170 -0.001 0.000 0.315 658 I C -0.999 175.105 176.117 -0.022 0.000 1.154 658 I CA -1.269 60.017 61.300 -0.024 0.000 0.962 658 I CB 2.112 40.100 38.000 -0.020 0.000 1.265 658 I HN -0.118 nan 8.210 nan 0.000 0.463 659 K N 2.585 122.972 120.400 -0.022 0.000 8.581 659 K HA -0.119 4.201 4.320 -0.001 0.000 0.689 659 K C -1.464 175.117 176.600 -0.031 0.000 2.515 659 K CA 0.620 56.892 56.287 -0.024 0.000 1.898 659 K CB -0.471 32.018 32.500 -0.018 0.000 2.265 659 K HN 1.050 nan 8.250 nan 0.000 0.359 660 D N 1.805 122.187 120.400 -0.029 0.000 3.085 660 D HA 0.516 5.155 4.640 -0.001 0.000 0.243 660 D C 0.094 176.376 176.300 -0.031 0.000 1.232 660 D CA 0.177 54.161 54.000 -0.027 0.000 0.913 660 D CB 0.579 41.367 40.800 -0.021 0.000 1.108 660 D HN 0.816 nan 8.370 nan 0.000 0.468 661 A N 0.396 123.189 122.820 -0.044 0.000 2.574 661 A HA 0.562 4.881 4.320 -0.001 0.000 0.297 661 A C -0.741 176.792 177.584 -0.086 0.000 1.062 661 A CA -0.961 51.046 52.037 -0.050 0.000 0.686 661 A CB 1.256 20.224 19.000 -0.053 0.000 1.285 661 A HN 0.246 nan 8.150 nan 0.000 0.403 662 M N 2.410 121.968 119.600 -0.071 0.000 2.156 662 M HA 0.422 4.902 4.480 -0.001 0.000 0.345 662 M C -0.553 175.629 176.300 -0.197 0.000 1.398 662 M CA -0.237 54.976 55.300 -0.144 0.000 1.148 662 M CB 0.569 33.180 32.600 0.018 0.000 1.663 662 M HN 0.606 nan 8.290 nan 0.000 0.464 663 V N 0.556 120.216 119.914 -0.424 0.000 2.789 663 V HA 0.599 4.718 4.120 -0.001 0.000 0.311 663 V C -0.861 174.941 176.094 -0.488 0.000 1.073 663 V CA -0.677 61.421 62.300 -0.336 0.000 0.921 663 V CB 1.702 33.314 31.823 -0.350 0.000 1.009 663 V HN 0.826 nan 8.190 nan 0.000 0.426 664 F N 1.671 121.659 119.950 0.063 0.000 2.102 664 F HA 0.827 5.354 4.527 -0.001 0.000 0.245 664 F C 1.188 177.109 175.800 0.202 0.000 1.049 664 F CA 0.472 58.573 58.000 0.169 0.000 1.227 664 F CB -0.289 38.858 39.000 0.245 0.000 1.527 664 F HN 1.046 nan 8.300 nan 0.000 0.624 665 A N 1.330 124.325 122.820 0.292 0.000 2.244 665 A HA 0.002 4.321 4.320 -0.001 0.000 0.605 665 A C -0.567 177.151 177.584 0.222 0.000 0.381 665 A CA 0.236 52.379 52.037 0.176 0.000 0.288 665 A CB -2.363 16.953 19.000 0.527 0.000 3.501 665 A HN 0.604 nan 8.150 nan 0.000 0.485 666 F N 0.662 120.830 119.950 0.364 0.000 2.732 666 F HA 0.936 5.463 4.527 -0.001 0.000 0.394 666 F C 0.386 176.329 175.800 0.239 0.000 1.194 666 F CA -1.433 56.706 58.000 0.231 0.000 1.127 666 F CB 0.690 39.771 39.000 0.135 0.000 1.470 666 F HN 0.448 nan 8.300 nan 0.000 0.505 667 N N -0.330 118.654 118.700 0.474 0.000 2.319 667 N HA 0.508 5.248 4.740 -0.001 0.000 0.305 667 N C -1.638 174.055 175.510 0.304 0.000 1.103 667 N CA -0.555 52.685 53.050 0.316 0.000 0.815 667 N CB 1.620 40.201 38.487 0.158 0.000 1.288 667 N HN 0.461 nan 8.380 nan 0.000 0.493 668 L N 3.218 124.595 121.223 0.257 0.000 2.433 668 L HA 0.274 4.614 4.340 -0.001 0.000 0.275 668 L C -1.486 175.442 176.870 0.097 0.000 1.128 668 L CA -0.998 53.950 54.840 0.180 0.000 0.875 668 L CB 0.422 42.582 42.059 0.169 0.000 1.171 668 L HN 0.547 nan 8.230 nan 0.000 0.463 669 P HA 0.080 nan 4.420 nan 0.000 0.258 669 P C 0.672 177.978 177.300 0.010 0.000 1.403 669 P CA 0.400 63.506 63.100 0.010 0.000 0.826 669 P CB 0.317 31.988 31.700 -0.049 0.000 1.414 670 A N -1.240 121.602 122.820 0.037 0.000 2.899 670 A HA -0.190 4.129 4.320 -0.001 0.000 0.257 670 A C 0.401 177.964 177.584 -0.035 0.000 1.335 670 A CA 1.582 53.662 52.037 0.071 0.000 0.924 670 A CB -2.741 16.321 19.000 0.103 0.000 1.105 670 A HN 0.417 nan 8.150 nan 0.000 0.765 671 I N -6.824 113.677 120.570 -0.115 0.000 3.395 671 I HA 0.670 4.840 4.170 -0.001 0.000 0.318 671 I C 1.127 177.158 176.117 -0.143 0.000 1.262 671 I CA -0.353 60.761 61.300 -0.311 0.000 0.910 671 I CB 0.581 38.383 38.000 -0.330 0.000 1.329 671 I HN 0.624 nan 8.210 nan 0.000 0.485 672 V N 0.591 120.412 119.914 -0.154 0.000 2.223 672 V HA -0.080 4.039 4.120 -0.001 0.000 0.244 672 V C 0.968 177.011 176.094 -0.085 0.000 1.045 672 V CA 2.863 65.118 62.300 -0.075 0.000 1.000 672 V CB -0.357 31.434 31.823 -0.054 0.000 0.635 672 V HN 1.092 nan 8.190 nan 0.000 0.445 673 E N -0.509 119.635 120.200 -0.093 0.000 2.983 673 E HA 0.175 4.524 4.350 -0.001 0.000 0.109 673 E C -0.393 176.144 176.600 -0.105 0.000 1.845 673 E CA -0.345 55.992 56.400 -0.105 0.000 1.068 673 E CB -0.364 29.279 29.700 -0.096 0.000 1.668 673 E HN 0.296 nan 8.360 nan 0.000 0.748 674 L N 1.082 122.258 121.223 -0.078 0.000 3.574 674 L HA 0.137 4.476 4.340 -0.001 0.000 0.416 674 L C 0.526 177.305 176.870 -0.151 0.000 1.112 674 L CA 1.834 56.626 54.840 -0.080 0.000 0.745 674 L CB -2.265 39.801 42.059 0.013 0.000 1.110 674 L HN 1.068 nan 8.230 nan 0.000 0.747 675 G N 1.912 110.523 108.800 -0.316 0.000 2.859 675 G HA2 -0.045 3.914 3.960 -0.001 0.000 0.251 675 G HA3 -0.045 3.914 3.960 -0.001 0.000 0.251 675 G C 0.503 174.793 174.900 -1.016 0.000 0.978 675 G CA 0.396 45.018 45.100 -0.798 0.000 1.270 675 G HN 1.304 nan 8.290 nan 0.000 0.601 676 T N -1.886 112.256 114.554 -0.687 0.000 2.643 676 T HA 0.551 4.901 4.350 -0.001 0.000 0.256 676 T C 1.864 176.297 174.700 -0.445 0.000 1.061 676 T CA 2.811 64.641 62.100 -0.449 0.000 1.163 676 T CB 0.113 68.819 68.868 -0.269 0.000 0.865 676 T HN 2.111 nan 8.240 nan 0.000 0.407 677 A N 0.448 123.059 122.820 -0.347 0.000 3.088 677 A HA 0.262 4.582 4.320 -0.001 0.000 0.163 677 A C 1.791 179.394 177.584 0.032 0.000 1.387 677 A CA 0.768 52.787 52.037 -0.030 0.000 1.739 677 A CB -0.774 18.257 19.000 0.051 0.000 1.635 677 A HN 0.755 nan 8.150 nan 0.000 0.721 678 T N -1.191 113.351 114.554 -0.019 0.000 3.044 678 T HA 0.502 4.851 4.350 -0.001 0.000 0.260 678 T C 0.864 175.552 174.700 -0.020 0.000 1.019 678 T CA 1.009 63.111 62.100 0.003 0.000 0.921 678 T CB 0.181 69.058 68.868 0.015 0.000 1.053 678 T HN 1.255 nan 8.240 nan 0.000 0.533 679 G N 1.478 110.226 108.800 -0.087 0.000 2.476 679 G HA2 0.563 4.523 3.960 -0.001 0.000 0.286 679 G HA3 0.563 4.523 3.960 -0.001 0.000 0.286 679 G C -0.734 174.141 174.900 -0.042 0.000 1.177 679 G CA -0.966 44.061 45.100 -0.122 0.000 0.870 679 G HN 0.487 nan 8.290 nan 0.000 0.528 680 F N -0.858 119.060 119.950 -0.054 0.000 2.631 680 F HA 0.793 5.319 4.527 -0.001 0.000 0.328 680 F C -1.295 174.563 175.800 0.098 0.000 1.067 680 F CA -2.070 55.935 58.000 0.008 0.000 0.969 680 F CB 2.433 41.456 39.000 0.040 0.000 1.332 680 F HN 0.374 nan 8.300 nan 0.000 0.490 681 D N 1.405 122.168 120.400 0.604 0.000 2.386 681 D HA 0.259 4.898 4.640 -0.001 0.000 0.247 681 D C -1.973 174.621 176.300 0.490 0.000 1.336 681 D CA -0.128 54.104 54.000 0.387 0.000 0.976 681 D CB 0.822 41.700 40.800 0.129 0.000 1.257 681 D HN 0.546 nan 8.370 nan 0.000 0.570 682 F N 2.468 122.550 119.950 0.220 0.000 2.404 682 F HA 0.555 5.082 4.527 -0.000 0.000 0.339 682 F C -0.137 175.439 175.800 -0.374 0.000 1.105 682 F CA -0.584 57.190 58.000 -0.378 0.000 1.087 682 F CB 1.404 40.181 39.000 -0.373 0.000 1.143 682 F HN 0.165 nan 8.300 nan 0.000 0.491 683 E N 5.080 124.517 120.200 -1.272 0.000 2.176 683 E HA 0.408 4.758 4.350 -0.001 0.000 0.267 683 E C -1.938 174.035 176.600 -1.044 0.000 0.893 683 E CA -0.661 55.191 56.400 -0.914 0.000 0.761 683 E CB 1.479 30.616 29.700 -0.939 0.000 1.133 683 E HN 0.677 nan 8.360 nan 0.000 0.409 684 L N 6.253 127.184 121.223 -0.487 0.000 2.277 684 L HA 0.542 4.882 4.340 -0.001 0.000 0.284 684 L C -1.321 175.447 176.870 -0.170 0.000 1.028 684 L CA -0.166 54.535 54.840 -0.232 0.000 0.835 684 L CB 0.475 42.557 42.059 0.039 0.000 1.215 684 L HN 0.592 nan 8.230 nan 0.000 0.425 685 I N 3.454 123.923 120.570 -0.168 0.000 2.392 685 I HA 0.289 4.458 4.170 -0.001 0.000 0.295 685 I C -0.297 175.786 176.117 -0.058 0.000 0.985 685 I CA -0.750 60.485 61.300 -0.109 0.000 1.221 685 I CB 1.483 39.409 38.000 -0.123 0.000 1.366 685 I HN 0.474 nan 8.210 nan 0.000 0.467 686 D N 5.250 125.631 120.400 -0.032 0.000 2.339 686 D HA 0.078 4.717 4.640 -0.001 0.000 0.256 686 D C 0.452 176.742 176.300 -0.016 0.000 1.214 686 D CA 0.236 54.225 54.000 -0.019 0.000 0.877 686 D CB 1.048 41.844 40.800 -0.005 0.000 1.111 686 D HN 0.410 nan 8.370 nan 0.000 0.478 687 Q N 2.768 122.555 119.800 -0.022 0.000 2.499 687 Q HA 0.152 4.491 4.340 -0.001 0.000 0.213 687 Q C 1.484 177.475 176.000 -0.015 0.000 0.929 687 Q CA 0.573 56.362 55.803 -0.024 0.000 0.904 687 Q CB -0.167 28.546 28.738 -0.042 0.000 1.052 687 Q HN 0.579 nan 8.270 nan 0.000 0.589 688 A N 0.377 123.190 122.820 -0.012 0.000 2.206 688 A HA 0.311 4.631 4.320 -0.001 0.000 0.211 688 A C 1.110 178.693 177.584 -0.001 0.000 1.158 688 A CA 1.027 53.060 52.037 -0.007 0.000 0.761 688 A CB -0.335 18.662 19.000 -0.005 0.000 0.801 688 A HN 0.434 nan 8.150 nan 0.000 0.473 689 G N -0.676 108.124 108.800 0.001 0.000 2.414 689 G HA2 -0.128 3.831 3.960 -0.001 0.000 0.256 689 G HA3 -0.128 3.831 3.960 -0.001 0.000 0.256 689 G C -0.017 174.889 174.900 0.011 0.000 1.128 689 G CA 0.069 45.174 45.100 0.007 0.000 0.944 689 G HN 0.189 nan 8.290 nan 0.000 0.500 690 L N -0.212 121.017 121.223 0.010 0.000 2.776 690 L HA 0.751 5.090 4.340 -0.001 0.000 0.165 690 L C 1.745 178.630 176.870 0.026 0.000 1.145 690 L CA 0.938 55.786 54.840 0.014 0.000 1.230 690 L CB -0.872 41.192 42.059 0.008 0.000 2.044 690 L HN 0.435 nan 8.230 nan 0.000 0.484 691 G N -2.533 106.286 108.800 0.031 0.000 2.601 691 G HA2 0.237 4.196 3.960 -0.001 0.000 0.317 691 G HA3 0.237 4.196 3.960 -0.001 0.000 0.317 691 G C 0.720 175.664 174.900 0.073 0.000 1.246 691 G CA -0.167 44.968 45.100 0.059 0.000 1.012 691 G HN 0.676 nan 8.290 nan 0.000 0.494 692 H N 0.013 119.093 119.070 0.017 0.000 2.333 692 H HA -0.095 4.461 4.556 -0.001 0.000 0.302 692 H C 2.261 177.600 175.328 0.020 0.000 1.075 692 H CA 2.156 58.214 56.048 0.018 0.000 1.348 692 H CB 0.262 30.036 29.762 0.021 0.000 1.393 692 H HN 0.609 nan 8.280 nan 0.000 0.509 693 E N 0.973 121.259 120.200 0.144 0.000 2.204 693 E HA -0.071 4.278 4.350 -0.001 0.000 0.194 693 E C 1.292 177.900 176.600 0.013 0.000 0.989 693 E CA 0.794 57.242 56.400 0.080 0.000 0.824 693 E CB -0.200 29.570 29.700 0.115 0.000 0.756 693 E HN 0.256 nan 8.360 nan 0.000 0.477 694 K N 0.301 120.709 120.400 0.012 0.000 2.911 694 K HA 0.272 4.592 4.320 -0.001 0.000 0.239 694 K C 0.496 177.081 176.600 -0.026 0.000 1.090 694 K CA 0.004 56.291 56.287 -0.001 0.000 1.225 694 K CB 0.150 32.657 32.500 0.012 0.000 1.087 694 K HN 0.193 nan 8.250 nan 0.000 0.464 695 L N -2.243 118.939 121.223 -0.068 0.000 2.406 695 L HA -0.006 4.334 4.340 -0.001 0.000 0.228 695 L C 1.294 178.090 176.870 -0.123 0.000 1.081 695 L CA 0.267 55.051 54.840 -0.094 0.000 1.089 695 L CB 0.395 42.379 42.059 -0.126 0.000 2.191 695 L HN 0.007 nan 8.230 nan 0.000 0.520 696 T N -0.126 114.311 114.554 -0.195 0.000 2.881 696 T HA -0.206 4.143 4.350 -0.001 0.000 0.270 696 T C 1.448 176.107 174.700 -0.069 0.000 1.068 696 T CA 1.685 63.690 62.100 -0.158 0.000 1.131 696 T CB -0.073 68.688 68.868 -0.178 0.000 0.871 696 T HN 0.200 nan 8.240 nan 0.000 0.479 697 Q N 0.957 120.728 119.800 -0.048 0.000 2.187 697 Q HA 0.258 4.597 4.340 -0.001 0.000 0.199 697 Q C 2.310 178.298 176.000 -0.020 0.000 0.957 697 Q CA 1.188 56.978 55.803 -0.021 0.000 0.857 697 Q CB -0.520 28.214 28.738 -0.007 0.000 0.929 697 Q HN 0.531 nan 8.270 nan 0.000 0.453 698 A N 0.079 122.884 122.820 -0.023 0.000 2.014 698 A HA -0.091 4.228 4.320 -0.001 0.000 0.218 698 A C 2.033 179.608 177.584 -0.015 0.000 1.163 698 A CA 0.990 53.019 52.037 -0.013 0.000 0.652 698 A CB -0.369 18.628 19.000 -0.004 0.000 0.808 698 A HN 0.159 nan 8.150 nan 0.000 0.449 699 R N 0.403 120.889 120.500 -0.024 0.000 2.090 699 R HA -0.068 4.272 4.340 -0.001 0.000 0.228 699 R C 1.408 177.693 176.300 -0.024 0.000 1.110 699 R CA 1.358 57.447 56.100 -0.019 0.000 0.973 699 R CB -0.536 29.744 30.300 -0.033 0.000 0.869 699 R HN 0.534 nan 8.270 nan 0.000 0.440 700 N N 0.836 119.521 118.700 -0.024 0.000 2.142 700 N HA -0.168 4.571 4.740 -0.001 0.000 0.186 700 N C 1.735 177.234 175.510 -0.019 0.000 1.023 700 N CA 0.945 53.984 53.050 -0.018 0.000 0.852 700 N CB -0.157 38.322 38.487 -0.013 0.000 0.998 700 N HN 0.376 nan 8.380 nan 0.000 0.424 701 Q N 0.042 119.830 119.800 -0.020 0.000 2.119 701 Q HA -0.050 4.289 4.340 -0.001 0.000 0.201 701 Q C 0.227 176.204 176.000 -0.040 0.000 0.972 701 Q CA 0.722 56.511 55.803 -0.022 0.000 0.847 701 Q CB 0.111 28.838 28.738 -0.017 0.000 0.903 701 Q HN 0.102 nan 8.270 nan 0.000 0.433 702 L N 0.985 122.175 121.223 -0.055 0.000 2.657 702 L HA 0.271 4.611 4.340 -0.001 0.000 0.239 702 L C -0.262 176.553 176.870 -0.090 0.000 1.215 702 L CA 0.345 55.124 54.840 -0.102 0.000 1.161 702 L CB 0.643 42.608 42.059 -0.156 0.000 1.436 702 L HN 0.282 nan 8.230 nan 0.000 0.414 703 L N 0.497 121.685 121.223 -0.058 0.000 5.177 703 L HA 0.212 4.551 4.340 -0.001 0.000 0.538 703 L C 1.135 177.994 176.870 -0.017 0.000 0.719 703 L CA 0.953 55.772 54.840 -0.035 0.000 2.285 703 L CB -0.326 41.719 42.059 -0.024 0.000 2.204 703 L HN 0.307 nan 8.230 nan 0.000 0.575 704 A N -0.782 122.028 122.820 -0.017 0.000 2.167 704 A HA 0.168 4.488 4.320 -0.001 0.000 0.208 704 A C 1.729 179.314 177.584 0.001 0.000 1.198 704 A CA 0.776 52.811 52.037 -0.004 0.000 0.863 704 A CB 0.108 19.106 19.000 -0.003 0.000 0.904 704 A HN 0.391 nan 8.150 nan 0.000 0.484 705 E N -0.019 120.175 120.200 -0.010 0.000 2.166 705 E HA 0.096 4.446 4.350 -0.001 0.000 0.192 705 E C 1.929 178.535 176.600 0.010 0.000 0.967 705 E CA 0.659 57.060 56.400 0.003 0.000 0.840 705 E CB 0.016 29.705 29.700 -0.018 0.000 0.795 705 E HN 0.483 nan 8.360 nan 0.000 0.470 706 A N 0.797 123.596 122.820 -0.036 0.000 2.121 706 A HA 0.048 4.367 4.320 -0.001 0.000 0.218 706 A C 2.110 179.709 177.584 0.026 0.000 1.154 706 A CA 1.259 53.270 52.037 -0.042 0.000 0.679 706 A CB -0.240 18.709 19.000 -0.086 0.000 0.795 706 A HN 0.305 nan 8.150 nan 0.000 0.458 707 A N 0.318 123.154 122.820 0.026 0.000 2.132 707 A HA 0.075 4.395 4.320 -0.001 0.000 0.213 707 A C 1.274 178.886 177.584 0.047 0.000 1.154 707 A CA 0.711 52.769 52.037 0.034 0.000 0.753 707 A CB -0.221 18.790 19.000 0.018 0.000 0.826 707 A HN 0.543 nan 8.150 nan 0.000 0.469 708 K N -0.389 120.049 120.400 0.064 0.000 2.997 708 K HA 0.389 4.709 4.320 -0.001 0.000 0.249 708 K C -0.613 176.045 176.600 0.097 0.000 1.284 708 K CA -0.165 56.155 56.287 0.056 0.000 1.245 708 K CB -0.287 32.234 32.500 0.035 0.000 1.670 708 K HN 0.381 nan 8.250 nan 0.000 0.385 709 H N -0.470 118.594 119.070 -0.010 0.000 3.346 709 H HA 0.137 4.693 4.556 -0.001 0.000 0.253 709 H C -2.357 172.969 175.328 -0.002 0.000 1.204 709 H CA -0.724 55.319 56.048 -0.009 0.000 0.996 709 H CB 0.810 30.562 29.762 -0.016 0.000 2.713 709 H HN 0.316 nan 8.280 nan 0.000 0.690 710 P HA 0.041 nan 4.420 nan 0.000 0.256 710 P C 0.610 177.913 177.300 0.005 0.000 1.335 710 P CA 0.697 63.817 63.100 0.034 0.000 0.808 710 P CB 0.409 32.121 31.700 0.022 0.000 1.305 711 D N -1.076 119.306 120.400 -0.030 0.000 2.201 711 D HA -0.001 4.639 4.640 -0.001 0.000 0.209 711 D C 1.539 177.833 176.300 -0.009 0.000 0.961 711 D CA 0.896 54.868 54.000 -0.047 0.000 0.861 711 D CB 0.016 40.746 40.800 -0.117 0.000 0.997 711 D HN -0.076 nan 8.370 nan 0.000 0.486 712 M N -0.521 119.097 119.600 0.030 0.000 2.492 712 M HA 0.293 4.772 4.480 -0.001 0.000 0.255 712 M C -0.680 175.667 176.300 0.077 0.000 1.139 712 M CA 0.215 55.560 55.300 0.075 0.000 1.096 712 M CB 0.094 32.783 32.600 0.149 0.000 1.360 712 M HN -0.048 nan 8.290 nan 0.000 0.480 713 L N 0.155 121.426 121.223 0.080 0.000 0.626 713 L HA -0.175 4.164 4.340 -0.001 0.000 0.357 713 L C -0.523 176.393 176.870 0.076 0.000 1.004 713 L CA 0.899 55.779 54.840 0.066 0.000 1.223 713 L CB -1.912 40.173 42.059 0.042 0.000 0.120 713 L HN 0.511 nan 8.230 nan 0.000 0.114 714 T N -0.795 113.801 114.554 0.070 0.000 2.977 714 T HA 0.656 5.005 4.350 -0.001 0.000 0.345 714 T C -0.751 173.974 174.700 0.042 0.000 1.562 714 T CA -0.715 61.431 62.100 0.077 0.000 1.090 714 T CB 1.823 70.763 68.868 0.121 0.000 1.383 714 T HN 0.489 nan 8.240 nan 0.000 0.484 715 S N 1.500 117.204 115.700 0.007 0.000 2.601 715 S HA 0.624 5.094 4.470 -0.001 0.000 0.312 715 S C 0.113 174.673 174.600 -0.067 0.000 1.107 715 S CA -0.770 57.417 58.200 -0.023 0.000 1.129 715 S CB 0.580 63.761 63.200 -0.032 0.000 0.982 715 S HN 1.016 nan 8.310 nan 0.000 0.469 716 V N 1.762 121.657 119.914 -0.032 0.000 2.495 716 V HA 0.807 4.926 4.120 -0.001 0.000 0.298 716 V C -0.422 175.653 176.094 -0.031 0.000 1.031 716 V CA -0.785 61.489 62.300 -0.043 0.000 0.871 716 V CB 1.566 33.401 31.823 0.020 0.000 0.988 716 V HN 0.610 nan 8.190 nan 0.000 0.432 717 R N 3.861 124.332 120.500 -0.047 0.000 2.668 717 R HA 0.662 5.001 4.340 -0.001 0.000 0.272 717 R C -3.073 173.213 176.300 -0.023 0.000 1.019 717 R CA -1.620 54.466 56.100 -0.024 0.000 0.894 717 R CB 3.094 33.381 30.300 -0.021 0.000 1.228 717 R HN 0.573 nan 8.270 nan 0.000 0.460 718 P HA 0.307 nan 4.420 nan 0.000 0.284 718 P C -0.813 176.488 177.300 0.002 0.000 1.292 718 P CA -0.702 62.399 63.100 0.002 0.000 0.800 718 P CB 0.847 32.553 31.700 0.009 0.000 1.188 719 N N -0.784 117.921 118.700 0.008 0.000 2.362 719 N HA 0.319 5.058 4.740 -0.001 0.000 0.298 719 N C 0.555 176.085 175.510 0.033 0.000 1.048 719 N CA -0.000 53.059 53.050 0.016 0.000 0.858 719 N CB 1.019 39.513 38.487 0.010 0.000 1.218 719 N HN 0.706 nan 8.380 nan 0.000 0.488 720 G N 2.167 110.994 108.800 0.045 0.000 2.450 720 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.302 720 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.302 720 G C 1.140 176.066 174.900 0.044 0.000 0.957 720 G CA 1.077 46.207 45.100 0.050 0.000 1.005 720 G HN 0.663 nan 8.290 nan 0.000 0.514 721 L N -0.718 120.527 121.223 0.037 0.000 1.924 721 L HA -0.060 4.280 4.340 -0.001 0.000 0.222 721 L C 2.085 178.970 176.870 0.025 0.000 1.081 721 L CA 2.715 57.573 54.840 0.030 0.000 0.780 721 L CB -0.223 41.848 42.059 0.020 0.000 0.891 721 L HN 0.536 nan 8.230 nan 0.000 0.434 722 E N -0.150 120.057 120.200 0.011 0.000 3.464 722 E HA -0.417 3.932 4.350 -0.001 0.000 0.362 722 E C 0.616 177.193 176.600 -0.039 0.000 1.544 722 E CA 1.787 58.180 56.400 -0.012 0.000 1.816 722 E CB -1.268 28.435 29.700 0.005 0.000 1.767 722 E HN 0.810 nan 8.360 nan 0.000 0.458 723 D N -1.151 119.222 120.400 -0.045 0.000 2.720 723 D HA -0.086 4.554 4.640 -0.001 0.000 0.134 723 D C -0.839 175.362 176.300 -0.165 0.000 0.967 723 D CA 1.079 55.029 54.000 -0.083 0.000 0.852 723 D CB -1.204 39.533 40.800 -0.105 0.000 0.830 723 D HN 0.639 nan 8.370 nan 0.000 0.432 724 T N -0.394 114.131 114.554 -0.048 0.000 2.919 724 T HA 0.534 4.884 4.350 -0.001 0.000 0.302 724 T C -2.150 172.646 174.700 0.159 0.000 1.031 724 T CA -1.252 60.856 62.100 0.014 0.000 1.127 724 T CB 1.417 70.326 68.868 0.067 0.000 0.952 724 T HN 0.045 nan 8.240 nan 0.000 0.540 725 P HA 0.077 nan 4.420 nan 0.000 0.262 725 P C -0.549 177.104 177.300 0.588 0.000 1.199 725 P CA 0.117 63.562 63.100 0.574 0.000 0.763 725 P CB 0.344 32.293 31.700 0.414 0.000 0.790 726 Q N 1.897 121.969 119.800 0.454 0.000 2.257 726 Q HA 0.489 4.828 4.340 -0.001 0.000 0.262 726 Q C -0.802 175.238 176.000 0.067 0.000 0.997 726 Q CA -0.751 55.200 55.803 0.246 0.000 0.873 726 Q CB 1.519 30.324 28.738 0.111 0.000 1.312 726 Q HN 0.367 nan 8.270 nan 0.000 0.450 727 F N 1.561 121.300 119.950 -0.352 0.000 2.410 727 F HA 0.293 4.819 4.527 -0.001 0.000 0.349 727 F C -0.159 175.412 175.800 -0.382 0.000 1.117 727 F CA -0.239 57.378 58.000 -0.638 0.000 1.104 727 F CB 0.794 39.276 39.000 -0.863 0.000 1.122 727 F HN 0.162 nan 8.300 nan 0.000 0.483 728 K N 7.582 127.615 120.400 -0.613 0.000 2.367 728 K HA 0.367 4.687 4.320 -0.001 0.000 0.263 728 K C -0.942 175.455 176.600 -0.339 0.000 1.000 728 K CA -0.692 55.385 56.287 -0.349 0.000 0.891 728 K CB 0.725 33.069 32.500 -0.260 0.000 1.117 728 K HN 0.470 nan 8.250 nan 0.000 0.443 729 I N 2.486 122.948 120.570 -0.180 0.000 2.496 729 I HA 0.092 4.262 4.170 -0.001 0.000 0.285 729 I C 0.141 176.219 176.117 -0.065 0.000 1.080 729 I CA -0.153 61.082 61.300 -0.109 0.000 1.404 729 I CB 0.741 38.681 38.000 -0.100 0.000 1.403 729 I HN 0.559 nan 8.210 nan 0.000 0.539 730 D N 6.637 127.020 120.400 -0.027 0.000 2.464 730 D HA 0.311 4.950 4.640 -0.001 0.000 0.243 730 D C -0.317 176.029 176.300 0.077 0.000 1.104 730 D CA -0.467 53.535 54.000 0.002 0.000 0.883 730 D CB 0.627 41.411 40.800 -0.027 0.000 1.050 730 D HN 0.144 nan 8.370 nan 0.000 0.524 731 I N 2.620 123.252 120.570 0.103 0.000 2.436 731 I HA 0.094 4.263 4.170 -0.001 0.000 0.289 731 I C 0.616 176.790 176.117 0.095 0.000 1.083 731 I CA -0.240 61.158 61.300 0.164 0.000 1.372 731 I CB 0.362 38.433 38.000 0.117 0.000 1.408 731 I HN 0.353 nan 8.210 nan 0.000 0.516 732 D N 6.832 127.311 120.400 0.132 0.000 2.344 732 D HA 0.038 4.678 4.640 -0.001 0.000 0.253 732 D C 1.207 177.523 176.300 0.026 0.000 1.255 732 D CA -0.053 53.993 54.000 0.077 0.000 0.894 732 D CB 0.966 41.826 40.800 0.099 0.000 1.067 732 D HN 0.354 nan 8.370 nan 0.000 0.492 733 Q N 2.817 122.614 119.800 -0.005 0.000 2.124 733 Q HA -0.183 4.156 4.340 -0.001 0.000 0.202 733 Q C 1.627 177.606 176.000 -0.035 0.000 0.977 733 Q CA 1.085 56.865 55.803 -0.039 0.000 0.850 733 Q CB 0.086 28.807 28.738 -0.030 0.000 0.901 733 Q HN 0.765 nan 8.270 nan 0.000 0.429 734 E N 0.567 120.761 120.200 -0.010 0.000 2.152 734 E HA -0.134 4.216 4.350 -0.001 0.000 0.192 734 E C 1.639 178.241 176.600 0.004 0.000 0.983 734 E CA 0.752 57.150 56.400 -0.004 0.000 0.818 734 E CB -0.080 29.623 29.700 0.005 0.000 0.758 734 E HN 0.175 nan 8.360 nan 0.000 0.467 735 K N 0.480 120.895 120.400 0.025 0.000 2.116 735 K HA 0.044 4.364 4.320 -0.001 0.000 0.203 735 K C 2.217 178.837 176.600 0.034 0.000 1.052 735 K CA 0.934 57.255 56.287 0.057 0.000 0.952 735 K CB -0.003 32.568 32.500 0.119 0.000 0.729 735 K HN 0.193 nan 8.250 nan 0.000 0.446 736 A N 1.041 123.828 122.820 -0.054 0.000 1.897 736 A HA -0.178 4.141 4.320 -0.001 0.000 0.215 736 A C 2.051 179.549 177.584 -0.143 0.000 1.181 736 A CA 1.145 53.050 52.037 -0.219 0.000 0.620 736 A CB -0.341 18.387 19.000 -0.454 0.000 0.821 736 A HN 0.270 nan 8.150 nan 0.000 0.443 737 Q N -0.722 119.022 119.800 -0.094 0.000 2.123 737 Q HA -0.015 4.325 4.340 -0.001 0.000 0.199 737 Q C 2.061 178.039 176.000 -0.037 0.000 0.966 737 Q CA 1.274 57.038 55.803 -0.065 0.000 0.845 737 Q CB -0.257 28.451 28.738 -0.050 0.000 0.907 737 Q HN 0.613 nan 8.270 nan 0.000 0.439 738 A N -0.008 122.800 122.820 -0.021 0.000 2.016 738 A HA -0.072 4.247 4.320 -0.001 0.000 0.217 738 A C 1.793 179.380 177.584 0.004 0.000 1.162 738 A CA 0.618 52.653 52.037 -0.004 0.000 0.662 738 A CB -0.268 18.735 19.000 0.006 0.000 0.812 738 A HN 0.425 nan 8.150 nan 0.000 0.450 739 L N -1.162 120.066 121.223 0.008 0.000 2.240 739 L HA 0.254 4.593 4.340 -0.001 0.000 0.211 739 L C 1.413 178.291 176.870 0.014 0.000 1.106 739 L CA 1.689 56.547 54.840 0.029 0.000 0.793 739 L CB -0.291 41.812 42.059 0.073 0.000 0.927 739 L HN 0.734 nan 8.230 nan 0.000 0.446 740 G N -0.453 108.337 108.800 -0.017 0.000 2.237 740 G HA2 -0.077 3.882 3.960 -0.001 0.000 0.153 740 G HA3 -0.077 3.882 3.960 -0.001 0.000 0.153 740 G C -0.192 174.685 174.900 -0.038 0.000 1.039 740 G CA -0.025 45.063 45.100 -0.021 0.000 0.719 740 G HN 0.639 nan 8.290 nan 0.000 0.491 741 V N -2.270 117.592 119.914 -0.087 0.000 2.680 741 V HA 0.907 5.027 4.120 -0.001 0.000 0.309 741 V C 0.607 176.616 176.094 -0.141 0.000 1.052 741 V CA -0.447 61.780 62.300 -0.121 0.000 0.908 741 V CB 1.724 33.428 31.823 -0.198 0.000 1.001 741 V HN 0.944 nan 8.190 nan 0.000 0.431 742 S N 1.964 117.601 115.700 -0.104 0.000 2.548 742 S HA 0.390 4.860 4.470 -0.001 0.000 0.277 742 S C 0.962 175.491 174.600 -0.119 0.000 1.315 742 S CA -0.456 57.690 58.200 -0.089 0.000 1.050 742 S CB 0.311 63.481 63.200 -0.050 0.000 0.918 742 S HN 0.632 nan 8.310 nan 0.000 0.497 743 I N 4.916 125.421 120.570 -0.109 0.000 2.361 743 I HA -0.130 4.040 4.170 -0.001 0.000 0.251 743 I C 2.241 178.320 176.117 -0.063 0.000 1.133 743 I CA 1.180 62.414 61.300 -0.109 0.000 1.413 743 I CB -0.455 37.496 38.000 -0.082 0.000 1.073 743 I HN 0.665 nan 8.210 nan 0.000 0.424 744 N N 0.589 119.265 118.700 -0.040 0.000 2.331 744 N HA -0.148 4.591 4.740 -0.001 0.000 0.180 744 N C 1.088 176.596 175.510 -0.004 0.000 1.019 744 N CA 1.037 54.080 53.050 -0.012 0.000 0.881 744 N CB -0.070 38.415 38.487 -0.004 0.000 0.972 744 N HN 0.397 nan 8.380 nan 0.000 0.435 745 D N 1.095 121.482 120.400 -0.021 0.000 2.183 745 D HA 0.009 4.649 4.640 -0.001 0.000 0.203 745 D C 1.994 178.292 176.300 -0.004 0.000 0.969 745 D CA 0.433 54.429 54.000 -0.007 0.000 0.842 745 D CB 0.063 40.852 40.800 -0.018 0.000 0.957 745 D HN 0.288 nan 8.370 nan 0.000 0.484 746 I N 1.057 121.597 120.570 -0.050 0.000 2.193 746 I HA -0.208 3.962 4.170 -0.001 0.000 0.240 746 I C 1.967 178.135 176.117 0.086 0.000 1.084 746 I CA 0.720 61.995 61.300 -0.043 0.000 1.365 746 I CB -0.200 37.702 38.000 -0.165 0.000 1.064 746 I HN -0.096 nan 8.210 nan 0.000 0.410 747 N N 0.411 119.145 118.700 0.056 0.000 2.223 747 N HA -0.123 4.616 4.740 -0.001 0.000 0.185 747 N C 1.801 177.360 175.510 0.082 0.000 1.016 747 N CA 1.735 54.829 53.050 0.073 0.000 0.863 747 N CB -0.460 38.053 38.487 0.043 0.000 0.983 747 N HN 0.384 nan 8.380 nan 0.000 0.429 748 T N -0.054 114.546 114.554 0.076 0.000 2.851 748 T HA -0.032 4.318 4.350 -0.001 0.000 0.262 748 T C 1.845 176.599 174.700 0.090 0.000 1.043 748 T CA 1.199 63.346 62.100 0.079 0.000 1.140 748 T CB -0.418 68.490 68.868 0.067 0.000 0.872 748 T HN 0.253 nan 8.240 nan 0.000 0.446 749 T N 1.956 116.581 114.554 0.117 0.000 2.962 749 T HA 0.073 4.423 4.350 -0.001 0.000 0.270 749 T C 1.668 176.459 174.700 0.152 0.000 1.088 749 T CA 0.522 62.708 62.100 0.144 0.000 1.127 749 T CB -0.174 68.824 68.868 0.217 0.000 0.883 749 T HN 0.080 nan 8.240 nan 0.000 0.493 750 L N 0.600 121.945 121.223 0.204 0.000 2.357 750 L HA 0.443 4.783 4.340 -0.001 0.000 0.211 750 L C 2.378 179.316 176.870 0.112 0.000 1.075 750 L CA 0.979 55.901 54.840 0.136 0.000 0.830 750 L CB -0.702 41.407 42.059 0.084 0.000 0.996 750 L HN 0.226 nan 8.230 nan 0.000 0.467 751 G N -1.009 107.845 108.800 0.090 0.000 2.395 751 G HA2 -0.109 3.851 3.960 -0.001 0.000 0.214 751 G HA3 -0.109 3.851 3.960 -0.001 0.000 0.214 751 G C 1.507 176.468 174.900 0.101 0.000 1.177 751 G CA 0.570 45.721 45.100 0.085 0.000 0.794 751 G HN 0.466 nan 8.290 nan 0.000 0.532 752 A N 0.692 123.558 122.820 0.078 0.000 2.014 752 A HA 0.491 4.810 4.320 -0.001 0.000 0.218 752 A C 2.482 180.068 177.584 0.003 0.000 1.163 752 A CA 1.806 53.881 52.037 0.064 0.000 0.652 752 A CB -0.296 18.740 19.000 0.060 0.000 0.808 752 A HN 0.693 nan 8.150 nan 0.000 0.449 753 A N -2.941 119.815 122.820 -0.107 0.000 2.238 753 A HA 0.295 4.614 4.320 -0.001 0.000 0.210 753 A C 1.442 178.725 177.584 -0.503 0.000 1.179 753 A CA 0.480 52.267 52.037 -0.417 0.000 0.827 753 A CB -0.379 17.923 19.000 -1.163 0.000 0.856 753 A HN 0.684 nan 8.150 nan 0.000 0.488 754 W N -2.251 118.945 121.300 -0.173 0.000 4.011 754 W HA 0.283 4.942 4.660 -0.001 0.000 0.213 754 W C 2.090 178.592 176.519 -0.030 0.000 1.060 754 W CA 0.599 57.879 57.345 -0.108 0.000 1.775 754 W CB -0.027 29.328 29.460 -0.175 0.000 0.793 754 W HN 0.200 nan 8.180 nan 0.000 0.863 755 G N -0.113 108.806 108.800 0.198 0.000 3.020 755 G HA2 0.445 4.404 3.960 -0.001 0.000 0.217 755 G HA3 0.445 4.404 3.960 -0.001 0.000 0.217 755 G C 0.644 175.623 174.900 0.131 0.000 1.144 755 G CA 0.423 45.605 45.100 0.137 0.000 0.760 755 G HN 0.434 nan 8.290 nan 0.000 0.548 756 G N -0.943 107.937 108.800 0.133 0.000 2.758 756 G HA2 0.213 4.172 3.960 -0.001 0.000 0.686 756 G HA3 0.213 4.172 3.960 -0.001 0.000 0.686 756 G C -0.439 174.587 174.900 0.210 0.000 1.389 756 G CA -0.000 45.192 45.100 0.154 0.000 0.845 756 G HN 1.136 nan 8.290 nan 0.000 0.572 757 S N -0.926 114.929 115.700 0.258 0.000 2.548 757 S HA 0.580 5.050 4.470 -0.001 0.000 0.276 757 S C -0.948 173.790 174.600 0.230 0.000 1.129 757 S CA -0.466 57.885 58.200 0.251 0.000 0.931 757 S CB 1.332 64.620 63.200 0.147 0.000 1.068 757 S HN 1.473 nan 8.310 nan 0.000 0.480 758 Y N 5.564 125.893 120.300 0.049 0.000 2.539 758 Y HA 0.357 4.907 4.550 -0.001 0.000 0.352 758 Y C 0.823 176.635 175.900 -0.147 0.000 1.004 758 Y CA 0.236 58.178 58.100 -0.265 0.000 1.278 758 Y CB 0.264 38.614 38.460 -0.184 0.000 1.136 758 Y HN 0.487 nan 8.280 nan 0.000 0.528 759 V N 5.311 125.107 119.914 -0.197 0.000 2.339 759 V HA 0.001 4.120 4.120 -0.001 0.000 0.234 759 V C 0.378 176.470 176.094 -0.003 0.000 1.053 759 V CA 1.456 63.725 62.300 -0.052 0.000 1.042 759 V CB -0.411 31.370 31.823 -0.070 0.000 0.678 759 V HN 0.878 nan 8.190 nan 0.000 0.475 760 N N -1.256 117.356 118.700 -0.146 0.000 3.439 760 N HA 0.329 5.068 4.740 -0.001 0.000 0.313 760 N C -2.160 173.287 175.510 -0.104 0.000 1.598 760 N CA -0.807 52.231 53.050 -0.019 0.000 0.830 760 N CB 1.509 40.023 38.487 0.046 0.000 1.849 760 N HN 0.102 nan 8.380 nan 0.000 0.598 761 D N -0.856 119.580 120.400 0.059 0.000 2.252 761 D HA 0.538 5.177 4.640 -0.001 0.000 0.245 761 D C -1.334 175.101 176.300 0.225 0.000 1.009 761 D CA -0.273 53.788 54.000 0.101 0.000 0.870 761 D CB 1.565 42.424 40.800 0.098 0.000 1.251 761 D HN 0.523 nan 8.370 nan 0.000 0.460 762 F N -0.500 119.467 119.950 0.029 0.000 2.613 762 F HA 0.695 5.222 4.527 -0.001 0.000 0.314 762 F C -1.516 174.321 175.800 0.063 0.000 1.075 762 F CA -1.352 56.703 58.000 0.091 0.000 0.945 762 F CB 0.775 39.902 39.000 0.213 0.000 1.310 762 F HN 0.076 nan 8.300 nan 0.000 0.467 763 I N 2.308 122.749 120.570 -0.216 0.000 2.342 763 I HA 0.254 4.424 4.170 -0.001 0.000 0.291 763 I C -0.910 174.939 176.117 -0.447 0.000 1.010 763 I CA 0.204 61.312 61.300 -0.321 0.000 1.308 763 I CB 1.032 38.983 38.000 -0.082 0.000 1.400 763 I HN 0.577 nan 8.210 nan 0.000 0.488 764 D N 6.123 126.220 120.400 -0.505 0.000 2.462 764 D HA 0.339 4.978 4.640 -0.001 0.000 0.245 764 D C -0.029 176.226 176.300 -0.076 0.000 1.122 764 D CA -0.613 53.240 54.000 -0.246 0.000 0.864 764 D CB 0.600 41.235 40.800 -0.274 0.000 1.098 764 D HN 0.487 nan 8.370 nan 0.000 0.541 765 R N 2.671 123.172 120.500 0.002 0.000 3.118 765 R HA -0.224 4.115 4.340 -0.001 0.000 0.238 765 R C 0.772 177.069 176.300 -0.005 0.000 0.884 765 R CA 1.052 57.165 56.100 0.021 0.000 0.601 765 R CB -2.482 27.854 30.300 0.060 0.000 1.009 765 R HN 0.791 nan 8.270 nan 0.000 0.478 766 G N -0.016 108.766 108.800 -0.031 0.000 2.659 766 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.202 766 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.202 766 G C 0.099 174.963 174.900 -0.061 0.000 1.186 766 G CA -0.009 45.068 45.100 -0.039 0.000 0.783 766 G HN 0.806 nan 8.290 nan 0.000 0.521 767 R N 0.292 120.743 120.500 -0.082 0.000 2.720 767 R HA 0.812 5.151 4.340 -0.001 0.000 0.272 767 R C -0.558 175.649 176.300 -0.156 0.000 0.991 767 R CA -0.484 55.559 56.100 -0.096 0.000 1.010 767 R CB 2.357 32.609 30.300 -0.080 0.000 1.141 767 R HN 0.527 nan 8.270 nan 0.000 0.494 768 V N 2.280 122.115 119.914 -0.131 0.000 2.498 768 V HA 0.360 4.480 4.120 -0.001 0.000 0.279 768 V C -0.755 175.244 176.094 -0.158 0.000 1.048 768 V CA -0.068 62.135 62.300 -0.162 0.000 0.967 768 V CB 0.879 32.656 31.823 -0.076 0.000 0.988 768 V HN 0.868 nan 8.190 nan 0.000 0.473 769 K N 4.420 124.660 120.400 -0.267 0.000 2.466 769 K HA 0.585 4.905 4.320 -0.001 0.000 0.260 769 K C -0.953 175.677 176.600 0.048 0.000 1.011 769 K CA -0.954 55.261 56.287 -0.119 0.000 0.871 769 K CB 2.086 34.506 32.500 -0.134 0.000 1.404 769 K HN 0.592 nan 8.250 nan 0.000 0.450 770 K N 0.384 120.853 120.400 0.116 0.000 2.138 770 K HA 0.415 4.735 4.320 -0.001 0.000 0.251 770 K C -0.747 175.812 176.600 -0.069 0.000 1.015 770 K CA -0.652 55.590 56.287 -0.075 0.000 0.917 770 K CB 0.851 33.269 32.500 -0.137 0.000 1.021 770 K HN 0.095 nan 8.250 nan 0.000 0.485 771 V N 2.588 122.225 119.914 -0.462 0.000 2.380 771 V HA 0.246 4.366 4.120 -0.001 0.000 0.286 771 V C -1.399 174.349 176.094 -0.578 0.000 1.015 771 V CA -0.863 61.180 62.300 -0.429 0.000 0.834 771 V CB 0.207 31.860 31.823 -0.284 0.000 1.009 771 V HN 0.569 nan 8.190 nan 0.000 0.428 772 Y N 2.728 122.845 120.300 -0.305 0.000 2.420 772 Y HA 0.727 5.277 4.550 -0.001 0.000 0.334 772 Y C 0.056 175.778 175.900 -0.296 0.000 1.094 772 Y CA -0.823 57.132 58.100 -0.242 0.000 1.126 772 Y CB 2.233 40.594 38.460 -0.164 0.000 1.217 772 Y HN 0.402 nan 8.280 nan 0.000 0.462 773 V N 5.342 125.240 119.914 -0.028 0.000 2.483 773 V HA 0.400 4.519 4.120 -0.001 0.000 0.297 773 V C -0.549 175.531 176.094 -0.023 0.000 1.027 773 V CA -0.339 61.898 62.300 -0.105 0.000 0.855 773 V CB 1.685 33.475 31.823 -0.055 0.000 0.995 773 V HN 1.042 nan 8.190 nan 0.000 0.424 774 M N 5.308 124.877 119.600 -0.052 0.000 2.114 774 M HA 0.382 4.861 4.480 -0.001 0.000 0.325 774 M C 0.106 176.535 176.300 0.214 0.000 0.946 774 M CA 0.982 56.346 55.300 0.106 0.000 1.137 774 M CB 0.689 33.412 32.600 0.205 0.000 2.041 774 M HN 1.325 nan 8.290 nan 0.000 0.692 775 S N 0.767 116.669 115.700 0.337 0.000 3.273 775 S HA -0.122 4.347 4.470 -0.001 0.000 0.842 775 S C -0.773 174.136 174.600 0.515 0.000 1.077 775 S CA -0.035 58.429 58.200 0.441 0.000 1.159 775 S CB -1.108 62.368 63.200 0.461 0.000 0.798 775 S HN 0.591 nan 8.310 nan 0.000 0.271 776 E N 2.109 122.571 120.200 0.436 0.000 2.437 776 E HA 0.344 4.694 4.350 -0.001 0.000 0.263 776 E C 1.751 178.349 176.600 -0.003 0.000 1.030 776 E CA 0.112 56.610 56.400 0.164 0.000 0.934 776 E CB 0.241 30.076 29.700 0.225 0.000 0.943 776 E HN 0.999 nan 8.360 nan 0.000 0.444 777 A N 4.122 126.791 122.820 -0.253 0.000 1.908 777 A HA -0.250 4.069 4.320 -0.001 0.000 0.218 777 A C 1.852 179.262 177.584 -0.290 0.000 1.181 777 A CA 1.594 53.472 52.037 -0.266 0.000 0.627 777 A CB -0.315 18.490 19.000 -0.325 0.000 0.818 777 A HN 0.620 nan 8.150 nan 0.000 0.445 778 K N -1.620 118.510 120.400 -0.450 0.000 2.242 778 K HA -0.208 4.111 4.320 -0.001 0.000 0.206 778 K C 0.283 176.478 176.600 -0.675 0.000 1.045 778 K CA 1.798 57.684 56.287 -0.669 0.000 0.930 778 K CB -0.326 31.555 32.500 -1.031 0.000 0.726 778 K HN 0.767 nan 8.250 nan 0.000 0.462 779 Y N 0.130 120.355 120.300 -0.124 0.000 2.720 779 Y HA 0.202 4.752 4.550 -0.001 0.000 0.277 779 Y C 0.465 176.267 175.900 -0.164 0.000 1.144 779 Y CA -0.525 57.495 58.100 -0.132 0.000 1.221 779 Y CB 0.327 38.654 38.460 -0.223 0.000 1.163 779 Y HN 0.018 nan 8.280 nan 0.000 0.537 780 R N -2.330 118.048 120.500 -0.204 0.000 2.508 780 R HA 0.244 4.583 4.340 -0.001 0.000 0.420 780 R C 0.218 176.449 176.300 -0.115 0.000 0.866 780 R CA -0.023 55.740 56.100 -0.561 0.000 1.103 780 R CB -0.470 29.321 30.300 -0.848 0.000 1.657 780 R HN 0.027 nan 8.270 nan 0.000 0.562 781 M N 0.753 120.329 119.600 -0.040 0.000 2.248 781 M HA 0.230 4.710 4.480 -0.001 0.000 0.265 781 M C 0.422 176.760 176.300 0.063 0.000 1.079 781 M CA 0.987 56.289 55.300 0.002 0.000 1.150 781 M CB -0.588 31.981 32.600 -0.051 0.000 1.366 781 M HN 0.305 nan 8.290 nan 0.000 0.433 782 L N -4.138 117.130 121.223 0.075 0.000 2.376 782 L HA 0.547 4.886 4.340 -0.001 0.000 0.258 782 L C -2.246 174.609 176.870 -0.025 0.000 1.013 782 L CA -1.770 53.088 54.840 0.030 0.000 0.822 782 L CB -0.324 41.752 42.059 0.028 0.000 1.388 782 L HN -0.278 nan 8.230 nan 0.000 0.413 783 P HA -0.190 nan 4.420 nan 0.000 0.218 783 P C 0.120 177.304 177.300 -0.194 0.000 1.147 783 P CA 1.628 64.399 63.100 -0.548 0.000 0.827 783 P CB 0.099 31.416 31.700 -0.639 0.000 0.778 784 D N -0.827 119.549 120.400 -0.039 0.000 2.323 784 D HA -0.077 4.563 4.640 -0.001 0.000 0.209 784 D C 1.191 177.539 176.300 0.080 0.000 0.973 784 D CA 0.663 54.677 54.000 0.023 0.000 0.874 784 D CB -0.478 40.341 40.800 0.033 0.000 0.930 784 D HN 0.165 nan 8.370 nan 0.000 0.521 785 D N -0.039 120.453 120.400 0.153 0.000 2.363 785 D HA 0.029 4.668 4.640 -0.001 0.000 0.226 785 D C 1.825 178.444 176.300 0.531 0.000 1.020 785 D CA 0.210 54.370 54.000 0.267 0.000 0.892 785 D CB 0.168 41.115 40.800 0.246 0.000 0.900 785 D HN 0.335 nan 8.370 nan 0.000 0.531 786 I N 0.631 121.435 120.570 0.389 0.000 2.333 786 I HA -0.063 4.106 4.170 -0.001 0.000 0.246 786 I C 2.570 178.796 176.117 0.182 0.000 1.106 786 I CA 0.970 62.423 61.300 0.256 0.000 1.411 786 I CB -0.369 37.461 38.000 -0.283 0.000 1.082 786 I HN -0.012 nan 8.210 nan 0.000 0.420 787 G N 1.640 110.498 108.800 0.098 0.000 2.422 787 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.218 787 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.218 787 G C 0.971 175.856 174.900 -0.025 0.000 1.146 787 G CA 1.151 46.275 45.100 0.040 0.000 0.769 787 G HN 0.556 nan 8.290 nan 0.000 0.547 788 D N -1.217 119.180 120.400 -0.005 0.000 2.325 788 D HA 0.033 4.673 4.640 -0.001 0.000 0.234 788 D C -0.212 175.992 176.300 -0.161 0.000 1.122 788 D CA -0.741 53.187 54.000 -0.120 0.000 0.850 788 D CB -0.479 40.310 40.800 -0.017 0.000 0.921 788 D HN 0.422 nan 8.370 nan 0.000 0.513 789 W N 0.873 122.206 121.300 0.055 0.000 2.332 789 W HA 0.382 5.041 4.660 -0.001 0.000 0.306 789 W C -0.470 176.127 176.519 0.129 0.000 1.149 789 W CA -0.836 56.651 57.345 0.237 0.000 1.271 789 W CB 0.471 30.214 29.460 0.473 0.000 1.243 789 W HN -0.159 nan 8.180 nan 0.000 0.459 790 Y N 2.668 123.185 120.300 0.361 0.000 2.330 790 Y HA 0.502 5.051 4.550 -0.001 0.000 0.336 790 Y C 0.216 176.239 175.900 0.204 0.000 1.036 790 Y CA -1.020 57.206 58.100 0.210 0.000 1.125 790 Y CB 1.010 39.531 38.460 0.102 0.000 1.194 790 Y HN -0.053 nan 8.280 nan 0.000 0.469 791 V N 4.298 124.362 119.914 0.250 0.000 2.459 791 V HA 0.403 4.522 4.120 -0.001 0.000 0.295 791 V C -0.074 176.108 176.094 0.145 0.000 1.029 791 V CA -1.304 61.094 62.300 0.163 0.000 0.874 791 V CB 1.545 33.397 31.823 0.049 0.000 0.985 791 V HN 0.688 nan 8.190 nan 0.000 0.438 792 R N 3.118 123.687 120.500 0.116 0.000 2.401 792 R HA 0.540 4.880 4.340 -0.001 0.000 0.299 792 R C 0.242 176.576 176.300 0.055 0.000 1.064 792 R CA 0.128 56.280 56.100 0.087 0.000 1.000 792 R CB 0.615 30.959 30.300 0.075 0.000 0.973 792 R HN 0.917 nan 8.270 nan 0.000 0.438 793 A N 3.443 126.295 122.820 0.053 0.000 2.246 793 A HA 0.479 4.798 4.320 -0.001 0.000 0.291 793 A C 1.013 178.609 177.584 0.020 0.000 1.103 793 A CA 0.146 52.202 52.037 0.032 0.000 0.844 793 A CB 0.526 19.550 19.000 0.041 0.000 1.136 793 A HN 0.954 nan 8.150 nan 0.000 0.500 794 A N -0.553 122.272 122.820 0.009 0.000 2.015 794 A HA -0.076 4.243 4.320 -0.001 0.000 0.219 794 A C 1.365 178.955 177.584 0.011 0.000 1.163 794 A CA 1.831 53.872 52.037 0.006 0.000 0.646 794 A CB -0.571 18.428 19.000 -0.002 0.000 0.806 794 A HN 0.772 nan 8.150 nan 0.000 0.448 795 D N -1.006 119.403 120.400 0.014 0.000 2.149 795 D HA 0.126 4.765 4.640 -0.001 0.000 0.201 795 D C 1.375 177.685 176.300 0.018 0.000 0.972 795 D CA 1.397 55.407 54.000 0.015 0.000 0.835 795 D CB -0.228 40.582 40.800 0.017 0.000 0.966 795 D HN 0.709 nan 8.370 nan 0.000 0.476 796 G N 0.444 109.258 108.800 0.023 0.000 2.155 796 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.130 796 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.130 796 G C -0.201 174.717 174.900 0.030 0.000 1.027 796 G CA -0.560 44.556 45.100 0.026 0.000 0.705 796 G HN 0.165 nan 8.290 nan 0.000 0.496 797 Q N -0.237 119.586 119.800 0.039 0.000 2.243 797 Q HA 0.746 5.086 4.340 -0.001 0.000 0.252 797 Q C 0.455 176.502 176.000 0.078 0.000 0.909 797 Q CA -0.388 55.444 55.803 0.049 0.000 0.922 797 Q CB 1.056 29.826 28.738 0.053 0.000 1.215 797 Q HN 0.166 nan 8.270 nan 0.000 0.427 798 M N 2.876 122.524 119.600 0.081 0.000 3.011 798 M HA 0.175 4.655 4.480 -0.001 0.000 0.292 798 M C -1.365 175.108 176.300 0.287 0.000 1.440 798 M CA -0.262 55.130 55.300 0.153 0.000 1.552 798 M CB -0.045 32.569 32.600 0.023 0.000 1.187 798 M HN 0.289 nan 8.290 nan 0.000 0.520 799 V N 7.146 127.202 119.914 0.235 0.000 2.432 799 V HA 0.360 4.479 4.120 -0.001 0.000 0.271 799 V C -1.772 174.413 176.094 0.152 0.000 1.046 799 V CA -1.218 61.207 62.300 0.208 0.000 0.945 799 V CB 0.656 32.597 31.823 0.198 0.000 0.992 799 V HN 0.543 nan 8.190 nan 0.000 0.471 800 P HA 0.275 nan 4.420 nan 0.000 0.279 800 P C 0.698 177.715 177.300 -0.472 0.000 1.282 800 P CA -0.380 62.513 63.100 -0.345 0.000 0.788 800 P CB 1.044 32.387 31.700 -0.595 0.000 1.139 801 F N 0.500 120.158 119.950 -0.487 0.000 2.014 801 F HA -0.257 4.270 4.527 -0.001 0.000 0.295 801 F C 2.961 178.202 175.800 -0.931 0.000 1.145 801 F CA 2.940 60.446 58.000 -0.823 0.000 1.178 801 F CB -1.533 37.294 39.000 -0.288 0.000 0.972 801 F HN 0.336 nan 8.300 nan 0.000 0.476 802 S N 0.689 116.249 115.700 -0.234 0.000 2.502 802 S HA -0.444 4.025 4.470 -0.001 0.000 0.288 802 S C 1.961 176.431 174.600 -0.216 0.000 1.186 802 S CA 1.704 59.798 58.200 -0.177 0.000 1.182 802 S CB -1.676 61.461 63.200 -0.104 0.000 1.135 802 S HN 0.416 nan 8.310 nan 0.000 0.442 803 A N 0.685 123.333 122.820 -0.287 0.000 2.209 803 A HA 0.393 4.712 4.320 -0.001 0.000 0.212 803 A C 1.611 179.178 177.584 -0.029 0.000 1.158 803 A CA 0.887 52.846 52.037 -0.131 0.000 0.742 803 A CB -0.790 18.175 19.000 -0.059 0.000 0.790 803 A HN 1.158 nan 8.150 nan 0.000 0.472 804 F N -4.192 115.772 119.950 0.023 0.000 2.915 804 F HA 0.468 4.995 4.527 -0.001 0.000 0.347 804 F C 0.226 176.051 175.800 0.043 0.000 1.104 804 F CA -0.449 57.561 58.000 0.016 0.000 1.126 804 F CB -0.052 38.939 39.000 -0.014 0.000 1.145 804 F HN -0.088 nan 8.300 nan 0.000 0.541 805 S N 0.461 116.181 115.700 0.034 0.000 2.722 805 S HA 0.611 5.081 4.470 -0.001 0.000 0.292 805 S C -0.314 174.315 174.600 0.048 0.000 1.135 805 S CA -0.628 57.644 58.200 0.119 0.000 1.003 805 S CB 1.671 64.937 63.200 0.110 0.000 1.067 805 S HN 0.207 nan 8.310 nan 0.000 0.546 806 S N 1.362 117.080 115.700 0.031 0.000 2.620 806 S HA 0.310 4.779 4.470 -0.001 0.000 0.244 806 S C -0.956 173.601 174.600 -0.072 0.000 1.192 806 S CA -0.595 57.597 58.200 -0.014 0.000 1.148 806 S CB 0.180 63.370 63.200 -0.015 0.000 1.106 806 S HN 0.527 nan 8.310 nan 0.000 0.474 807 S N 5.206 120.873 115.700 -0.055 0.000 2.437 807 S HA 0.325 4.794 4.470 -0.001 0.000 0.304 807 S C 0.142 174.544 174.600 -0.329 0.000 1.167 807 S CA -0.200 57.931 58.200 -0.114 0.000 1.106 807 S CB -0.068 63.230 63.200 0.163 0.000 1.099 807 S HN 0.620 nan 8.310 nan 0.000 0.524 808 R N 1.483 121.603 120.500 -0.632 0.000 2.750 808 R HA 0.349 4.689 4.340 -0.001 0.000 0.281 808 R C -0.237 175.560 176.300 -0.839 0.000 0.972 808 R CA -0.791 54.999 56.100 -0.516 0.000 0.912 808 R CB 1.292 31.425 30.300 -0.279 0.000 1.187 808 R HN 0.526 nan 8.270 nan 0.000 0.464 809 W N 1.372 122.369 121.300 -0.505 0.000 2.283 809 W HA 0.034 4.694 4.660 -0.000 0.000 0.292 809 W C 0.316 176.678 176.519 -0.262 0.000 0.960 809 W CA 1.435 58.549 57.345 -0.385 0.000 1.255 809 W CB 0.181 29.534 29.460 -0.179 0.000 1.252 809 W HN 0.588 nan 8.180 nan 0.000 0.479 810 E N -1.292 118.977 120.200 0.115 0.000 8.078 810 E HA -0.253 4.096 4.350 -0.001 0.000 0.466 810 E C -1.177 175.484 176.600 0.102 0.000 0.790 810 E CA -0.025 56.361 56.400 -0.024 0.000 1.391 810 E CB -1.223 28.451 29.700 -0.044 0.000 0.986 810 E HN 0.337 nan 8.360 nan 0.000 0.262 811 Y N 0.750 121.095 120.300 0.076 0.000 2.330 811 Y HA 0.539 5.089 4.550 -0.001 0.000 0.387 811 Y C 1.512 177.435 175.900 0.039 0.000 1.365 811 Y CA 0.189 58.331 58.100 0.070 0.000 1.828 811 Y CB 0.892 39.382 38.460 0.050 0.000 1.696 811 Y HN 0.737 nan 8.280 nan 0.000 0.616 812 G N 0.008 108.940 108.800 0.219 0.000 2.322 812 G HA2 0.155 4.115 3.960 -0.001 0.000 0.289 812 G HA3 0.155 4.115 3.960 -0.001 0.000 0.289 812 G C -1.859 173.040 174.900 -0.002 0.000 1.687 812 G CA -0.889 44.243 45.100 0.053 0.000 0.944 812 G HN 0.472 nan 8.290 nan 0.000 0.718 813 S N 1.040 116.679 115.700 -0.101 0.000 2.513 813 S HA 0.676 5.146 4.470 -0.001 0.000 0.276 813 S C -0.926 173.653 174.600 -0.035 0.000 1.254 813 S CA -1.255 56.905 58.200 -0.067 0.000 1.053 813 S CB 1.429 64.565 63.200 -0.106 0.000 0.958 813 S HN 0.363 nan 8.310 nan 0.000 0.491 814 P HA 0.105 nan 4.420 nan 0.000 0.230 814 P C -0.031 177.279 177.300 0.017 0.000 1.168 814 P CA 0.385 63.493 63.100 0.013 0.000 0.793 814 P CB 0.203 31.919 31.700 0.027 0.000 0.851 815 R N 1.046 121.562 120.500 0.028 0.000 2.467 815 R HA 0.365 4.705 4.340 -0.001 0.000 0.299 815 R C -1.376 174.961 176.300 0.062 0.000 1.120 815 R CA -0.527 55.597 56.100 0.040 0.000 0.940 815 R CB 0.301 30.628 30.300 0.044 0.000 1.161 815 R HN 0.082 nan 8.270 nan 0.000 0.506 816 L N 3.961 125.216 121.223 0.054 0.000 2.295 816 L HA 0.495 4.834 4.340 -0.001 0.000 0.285 816 L C 0.137 177.051 176.870 0.073 0.000 1.035 816 L CA -0.641 54.249 54.840 0.083 0.000 0.806 816 L CB 1.765 43.858 42.059 0.056 0.000 1.214 816 L HN 0.456 nan 8.230 nan 0.000 0.426 817 E N 3.340 123.589 120.200 0.082 0.000 2.221 817 E HA 0.674 5.024 4.350 -0.001 0.000 0.268 817 E C -1.093 175.547 176.600 0.067 0.000 0.933 817 E CA -1.008 55.431 56.400 0.066 0.000 0.809 817 E CB 2.269 32.004 29.700 0.057 0.000 1.190 817 E HN 0.450 nan 8.360 nan 0.000 0.406 818 R N 1.498 122.037 120.500 0.064 0.000 2.621 818 R HA 0.304 4.644 4.340 -0.001 0.000 0.284 818 R C -1.569 174.785 176.300 0.090 0.000 0.998 818 R CA -0.895 55.244 56.100 0.066 0.000 0.895 818 R CB 1.715 32.039 30.300 0.040 0.000 1.195 818 R HN 0.546 nan 8.270 nan 0.000 0.450 819 Y N 3.029 123.307 120.300 -0.038 0.000 2.369 819 Y HA 0.182 4.732 4.550 -0.001 0.000 0.337 819 Y C 0.011 175.890 175.900 -0.036 0.000 0.961 819 Y CA -0.344 57.726 58.100 -0.050 0.000 1.186 819 Y CB 0.704 39.103 38.460 -0.101 0.000 1.139 819 Y HN 0.772 nan 8.280 nan 0.000 0.494 820 N N 4.358 122.864 118.700 -0.323 0.000 2.740 820 N HA -0.220 4.519 4.740 -0.001 0.000 0.248 820 N C 0.647 176.111 175.510 -0.077 0.000 1.062 820 N CA 0.625 53.542 53.050 -0.220 0.000 0.704 820 N CB -1.027 37.329 38.487 -0.218 0.000 0.968 820 N HN 1.195 nan 8.380 nan 0.000 0.547 821 G N -0.486 108.283 108.800 -0.052 0.000 2.176 821 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.252 821 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.252 821 G C -0.178 174.723 174.900 0.003 0.000 1.024 821 G CA 0.524 45.612 45.100 -0.019 0.000 0.755 821 G HN 0.407 nan 8.290 nan 0.000 0.507 822 L N 0.337 121.572 121.223 0.020 0.000 2.438 822 L HA 0.440 4.779 4.340 -0.001 0.000 0.270 822 L C -2.213 174.683 176.870 0.043 0.000 0.972 822 L CA -2.528 52.331 54.840 0.031 0.000 0.831 822 L CB 2.752 44.830 42.059 0.033 0.000 1.273 822 L HN -0.177 nan 8.230 nan 0.000 0.405 823 P HA -0.021 nan 4.420 nan 0.000 0.258 823 P C -0.623 176.692 177.300 0.026 0.000 1.187 823 P CA 0.535 63.663 63.100 0.046 0.000 0.767 823 P CB 0.989 32.721 31.700 0.052 0.000 0.770 824 S N 3.430 119.147 115.700 0.029 0.000 2.556 824 S HA 0.773 5.243 4.470 -0.001 0.000 0.271 824 S C -1.180 173.411 174.600 -0.016 0.000 1.135 824 S CA -0.725 57.470 58.200 -0.009 0.000 0.858 824 S CB 0.928 64.132 63.200 0.007 0.000 1.114 824 S HN 0.270 nan 8.310 nan 0.000 0.468 825 M N 2.396 121.963 119.600 -0.056 0.000 2.501 825 M HA 0.474 4.953 4.480 -0.001 0.000 0.293 825 M C -1.110 175.161 176.300 -0.049 0.000 1.192 825 M CA -0.539 54.739 55.300 -0.037 0.000 0.886 825 M CB 2.472 35.050 32.600 -0.036 0.000 1.710 825 M HN 0.616 nan 8.290 nan 0.000 0.457 826 E N 1.709 121.895 120.200 -0.022 0.000 2.212 826 E HA 0.691 5.041 4.350 -0.001 0.000 0.270 826 E C -1.092 175.519 176.600 0.020 0.000 0.956 826 E CA -0.887 55.512 56.400 -0.001 0.000 0.825 826 E CB 2.020 31.712 29.700 -0.013 0.000 1.167 826 E HN 0.580 nan 8.360 nan 0.000 0.400 827 I N 1.444 122.036 120.570 0.036 0.000 7.989 827 I HA -0.278 3.892 4.170 -0.001 0.000 0.126 827 I C -1.427 174.730 176.117 0.066 0.000 1.847 827 I CA 0.385 61.734 61.300 0.082 0.000 2.041 827 I CB -0.820 37.306 38.000 0.210 0.000 3.747 827 I HN 0.359 nan 8.210 nan 0.000 0.170 828 L N 6.575 127.794 121.223 -0.006 0.000 2.541 828 L HA 0.908 5.248 4.340 -0.001 0.000 0.266 828 L C 0.272 176.979 176.870 -0.272 0.000 0.966 828 L CA 0.574 55.351 54.840 -0.106 0.000 0.871 828 L CB 1.455 43.444 42.059 -0.116 0.000 1.232 828 L HN 0.558 nan 8.230 nan 0.000 0.408 829 G N 2.323 110.723 108.800 -0.667 0.000 2.990 829 G HA2 0.600 4.560 3.960 -0.001 0.000 0.208 829 G HA3 0.600 4.560 3.960 -0.001 0.000 0.208 829 G C -0.818 173.471 174.900 -1.018 0.000 1.334 829 G CA -0.105 44.412 45.100 -0.972 0.000 1.024 829 G HN 0.488 nan 8.290 nan 0.000 0.574 830 Q N -2.779 116.561 119.800 -0.767 0.000 3.061 830 Q HA 0.674 5.014 4.340 -0.001 0.000 0.217 830 Q C 0.869 176.842 176.000 -0.045 0.000 1.149 830 Q CA 0.286 55.897 55.803 -0.320 0.000 0.397 830 Q CB 0.993 29.641 28.738 -0.149 0.000 5.498 830 Q HN 0.611 nan 8.270 nan 0.000 0.291 831 A N -0.559 122.286 122.820 0.043 0.000 1.655 831 A HA 0.697 5.017 4.320 -0.001 0.000 0.180 831 A C -0.984 176.645 177.584 0.075 0.000 1.582 831 A CA 1.043 53.139 52.037 0.100 0.000 1.292 831 A CB 0.433 19.466 19.000 0.056 0.000 1.144 831 A HN 1.027 nan 8.150 nan 0.000 0.609 832 A N -1.468 121.377 122.820 0.042 0.000 2.447 832 A HA 0.463 4.782 4.320 -0.001 0.000 0.348 832 A C -2.816 174.783 177.584 0.025 0.000 0.760 832 A CA -0.035 52.024 52.037 0.037 0.000 0.569 832 A CB -1.156 17.870 19.000 0.044 0.000 1.592 832 A HN 0.117 nan 8.150 nan 0.000 0.368 833 P HA 0.084 nan 4.420 nan 0.000 0.236 833 P C 1.224 178.535 177.300 0.018 0.000 1.172 833 P CA 1.968 65.078 63.100 0.017 0.000 0.759 833 P CB 0.185 31.895 31.700 0.015 0.000 0.843 834 G N -0.452 108.362 108.800 0.023 0.000 2.472 834 G HA2 0.089 4.048 3.960 -0.001 0.000 0.199 834 G HA3 0.089 4.048 3.960 -0.001 0.000 0.199 834 G C -0.094 174.822 174.900 0.026 0.000 1.547 834 G CA -0.282 44.833 45.100 0.024 0.000 0.701 834 G HN 0.228 nan 8.290 nan 0.000 0.623 835 K N 0.509 120.927 120.400 0.029 0.000 2.138 835 K HA 0.654 4.973 4.320 -0.001 0.000 0.251 835 K C -1.060 175.558 176.600 0.030 0.000 1.015 835 K CA -0.063 56.241 56.287 0.028 0.000 0.917 835 K CB 1.211 33.727 32.500 0.027 0.000 1.021 835 K HN 0.116 nan 8.250 nan 0.000 0.485 836 S N 0.462 116.177 115.700 0.025 0.000 2.619 836 S HA 0.226 4.695 4.470 -0.001 0.000 0.280 836 S C -0.057 174.552 174.600 0.015 0.000 1.150 836 S CA -0.522 57.694 58.200 0.028 0.000 0.978 836 S CB 1.685 64.904 63.200 0.032 0.000 1.041 836 S HN 0.885 nan 8.310 nan 0.000 0.485 837 T N 2.705 117.270 114.554 0.019 0.000 12.412 837 T HA -0.370 3.980 4.350 -0.001 0.000 0.419 837 T C 1.803 176.446 174.700 -0.096 0.000 1.441 837 T CA 2.291 64.370 62.100 -0.034 0.000 2.384 837 T CB -1.672 67.168 68.868 -0.048 0.000 2.851 837 T HN 1.021 nan 8.240 nan 0.000 0.813 838 G N 1.318 110.081 108.800 -0.062 0.000 2.562 838 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.223 838 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.223 838 G C 1.227 176.087 174.900 -0.068 0.000 1.102 838 G CA 2.118 47.183 45.100 -0.059 0.000 0.742 838 G HN 0.771 nan 8.290 nan 0.000 0.587 839 E N -0.682 119.485 120.200 -0.056 0.000 2.367 839 E HA 0.413 4.762 4.350 -0.001 0.000 0.204 839 E C 2.458 179.013 176.600 -0.075 0.000 0.840 839 E CA 0.406 56.774 56.400 -0.053 0.000 1.051 839 E CB -0.304 29.385 29.700 -0.018 0.000 1.051 839 E HN 0.225 nan 8.360 nan 0.000 0.509 840 A N 1.286 124.074 122.820 -0.052 0.000 2.019 840 A HA -0.104 4.215 4.320 -0.001 0.000 0.219 840 A C 2.085 179.564 177.584 -0.176 0.000 1.164 840 A CA 1.529 53.551 52.037 -0.025 0.000 0.644 840 A CB -0.424 18.630 19.000 0.089 0.000 0.805 840 A HN 0.305 nan 8.150 nan 0.000 0.449 841 M N -1.989 117.429 119.600 -0.303 0.000 2.534 841 M HA 0.073 4.552 4.480 -0.001 0.000 0.263 841 M C 1.768 177.822 176.300 -0.410 0.000 1.152 841 M CA 1.052 55.983 55.300 -0.615 0.000 1.145 841 M CB 0.069 32.186 32.600 -0.805 0.000 1.333 841 M HN 0.290 nan 8.290 nan 0.000 0.477 842 E N 1.359 121.403 120.200 -0.260 0.000 2.072 842 E HA -0.149 4.200 4.350 -0.001 0.000 0.190 842 E C 2.113 178.638 176.600 -0.125 0.000 0.982 842 E CA 1.406 57.713 56.400 -0.156 0.000 0.803 842 E CB -0.379 29.259 29.700 -0.104 0.000 0.755 842 E HN 0.767 nan 8.360 nan 0.000 0.453 843 L N -1.247 119.889 121.223 -0.145 0.000 2.291 843 L HA 0.028 4.367 4.340 -0.001 0.000 0.214 843 L C 2.345 179.080 176.870 -0.225 0.000 1.120 843 L CA 0.938 55.684 54.840 -0.157 0.000 0.799 843 L CB -0.309 41.659 42.059 -0.152 0.000 0.925 843 L HN 0.014 nan 8.230 nan 0.000 0.446 844 M N 0.518 119.958 119.600 -0.266 0.000 2.296 844 M HA -0.103 4.376 4.480 -0.001 0.000 0.265 844 M C 2.003 178.074 176.300 -0.383 0.000 1.064 844 M CA 1.604 56.679 55.300 -0.374 0.000 1.109 844 M CB -0.310 32.005 32.600 -0.474 0.000 1.396 844 M HN 0.335 nan 8.290 nan 0.000 0.430 845 E N -0.439 119.633 120.200 -0.213 0.000 2.047 845 E HA -0.215 4.135 4.350 -0.001 0.000 0.191 845 E C 1.859 178.333 176.600 -0.210 0.000 0.987 845 E CA 1.395 57.638 56.400 -0.261 0.000 0.799 845 E CB -0.273 29.436 29.700 0.017 0.000 0.752 845 E HN 0.621 nan 8.360 nan 0.000 0.449 846 Q N 0.851 120.593 119.800 -0.097 0.000 2.398 846 Q HA -0.053 4.286 4.340 -0.001 0.000 0.204 846 Q C 2.026 177.979 176.000 -0.079 0.000 0.932 846 Q CA 0.495 56.278 55.803 -0.034 0.000 0.916 846 Q CB -0.040 28.693 28.738 -0.009 0.000 1.024 846 Q HN 0.259 nan 8.270 nan 0.000 0.504 847 L N 0.813 121.936 121.223 -0.167 0.000 2.131 847 L HA -0.034 4.306 4.340 -0.001 0.000 0.210 847 L C 2.217 178.986 176.870 -0.169 0.000 1.092 847 L CA 1.752 56.477 54.840 -0.191 0.000 0.759 847 L CB -0.985 40.904 42.059 -0.284 0.000 0.903 847 L HN 0.358 nan 8.230 nan 0.000 0.435 848 A N -1.837 120.859 122.820 -0.205 0.000 2.132 848 A HA -0.032 4.288 4.320 -0.001 0.000 0.213 848 A C 2.343 179.981 177.584 0.090 0.000 1.154 848 A CA 0.903 52.889 52.037 -0.084 0.000 0.753 848 A CB -0.110 18.826 19.000 -0.108 0.000 0.826 848 A HN 0.374 nan 8.150 nan 0.000 0.469 849 S N -0.105 115.652 115.700 0.095 0.000 2.461 849 S HA 0.010 4.480 4.470 -0.001 0.000 0.228 849 S C 1.279 175.917 174.600 0.063 0.000 1.005 849 S CA 0.616 58.899 58.200 0.138 0.000 0.942 849 S CB -0.037 63.251 63.200 0.146 0.000 0.776 849 S HN 0.546 nan 8.310 nan 0.000 0.514 850 K N 1.285 121.699 120.400 0.023 0.000 2.708 850 K HA 0.294 4.614 4.320 -0.001 0.000 0.219 850 K C -0.395 176.209 176.600 0.007 0.000 1.068 850 K CA 0.035 56.328 56.287 0.010 0.000 1.212 850 K CB -0.049 32.448 32.500 -0.005 0.000 0.978 850 K HN 0.284 nan 8.250 nan 0.000 0.475 851 L N 0.398 121.633 121.223 0.021 0.000 2.271 851 L HA 0.482 4.821 4.340 -0.001 0.000 0.265 851 L C -2.044 174.839 176.870 0.022 0.000 1.013 851 L CA -2.502 52.349 54.840 0.018 0.000 0.820 851 L CB 0.747 42.821 42.059 0.024 0.000 1.352 851 L HN -0.048 nan 8.230 nan 0.000 0.443 852 P HA 0.042 nan 4.420 nan 0.000 0.270 852 P C -0.804 176.506 177.300 0.016 0.000 1.221 852 P CA -0.153 62.956 63.100 0.013 0.000 0.788 852 P CB 0.190 31.895 31.700 0.009 0.000 0.904 853 T N 0.229 114.789 114.554 0.011 0.000 2.919 853 T HA 0.408 4.758 4.350 -0.001 0.000 0.302 853 T C 1.156 175.858 174.700 0.004 0.000 1.031 853 T CA 0.579 62.684 62.100 0.008 0.000 1.127 853 T CB 0.268 69.139 68.868 0.005 0.000 0.952 853 T HN 0.840 nan 8.240 nan 0.000 0.540 854 G N 1.069 109.868 108.800 -0.002 0.000 2.132 854 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.228 854 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.228 854 G C -0.085 174.808 174.900 -0.011 0.000 1.000 854 G CA -0.238 44.857 45.100 -0.008 0.000 0.693 854 G HN 0.829 nan 8.290 nan 0.000 0.515 855 V N 0.574 120.487 119.914 -0.003 0.000 2.349 855 V HA 0.788 4.908 4.120 -0.001 0.000 0.284 855 V C 0.869 176.966 176.094 0.005 0.000 1.014 855 V CA 0.024 62.329 62.300 0.007 0.000 0.826 855 V CB 1.209 33.054 31.823 0.035 0.000 1.009 855 V HN 0.757 nan 8.190 nan 0.000 0.431 856 G N 3.552 112.318 108.800 -0.057 0.000 2.820 856 G HA2 0.828 4.787 3.960 -0.001 0.000 0.291 856 G HA3 0.828 4.787 3.960 -0.001 0.000 0.291 856 G C -1.397 173.400 174.900 -0.172 0.000 1.323 856 G CA -0.645 44.347 45.100 -0.180 0.000 1.055 856 G HN 0.770 nan 8.290 nan 0.000 0.520 857 Y N -2.093 118.041 120.300 -0.276 0.000 2.571 857 Y HA 0.766 5.315 4.550 -0.001 0.000 0.341 857 Y C -1.403 174.134 175.900 -0.605 0.000 1.076 857 Y CA -1.517 56.222 58.100 -0.601 0.000 1.029 857 Y CB 1.546 39.553 38.460 -0.755 0.000 1.308 857 Y HN 0.491 nan 8.280 nan 0.000 0.461 858 D N 0.223 120.183 120.400 -0.733 0.000 2.579 858 D HA 0.619 5.259 4.640 -0.001 0.000 0.257 858 D C -1.989 173.789 176.300 -0.870 0.000 1.176 858 D CA -0.305 53.327 54.000 -0.614 0.000 0.914 858 D CB 1.710 42.112 40.800 -0.664 0.000 1.431 858 D HN 0.574 nan 8.370 nan 0.000 0.454 859 W N 0.197 121.316 121.300 -0.302 0.000 2.883 859 W HA 0.465 5.124 4.660 -0.001 0.000 0.335 859 W C 0.275 176.648 176.519 -0.243 0.000 1.083 859 W CA -0.530 56.669 57.345 -0.243 0.000 1.233 859 W CB 1.271 30.661 29.460 -0.116 0.000 1.412 859 W HN 0.307 nan 8.180 nan 0.000 0.490 860 T N -0.988 113.531 114.554 -0.058 0.000 2.124 860 T HA 0.355 4.704 4.350 -0.001 0.000 0.184 860 T C 1.133 175.820 174.700 -0.022 0.000 0.688 860 T CA 0.158 62.112 62.100 -0.244 0.000 1.680 860 T CB -0.770 67.911 68.868 -0.311 0.000 3.188 860 T HN 0.546 nan 8.240 nan 0.000 0.398 861 G N 1.420 110.234 108.800 0.024 0.000 3.090 861 G HA2 0.405 4.364 3.960 -0.001 0.000 0.259 861 G HA3 0.405 4.364 3.960 -0.001 0.000 0.259 861 G C 0.593 175.508 174.900 0.025 0.000 0.797 861 G CA 0.352 45.506 45.100 0.090 0.000 2.032 861 G HN 0.663 nan 8.290 nan 0.000 0.614 862 M N -1.887 117.726 119.600 0.022 0.000 1.559 862 M HA 0.137 4.617 4.480 -0.001 0.000 0.296 862 M C 0.133 176.337 176.300 -0.160 0.000 0.839 862 M CA 0.199 55.464 55.300 -0.059 0.000 1.052 862 M CB -0.528 32.045 32.600 -0.046 0.000 2.107 862 M HN -0.023 nan 8.290 nan 0.000 0.808 863 S N 2.446 118.077 115.700 -0.115 0.000 3.305 863 S HA 0.315 4.784 4.470 -0.001 0.000 0.248 863 S C 0.350 175.054 174.600 0.173 0.000 1.288 863 S CA 0.624 58.651 58.200 -0.289 0.000 1.249 863 S CB -1.688 61.531 63.200 0.031 0.000 1.116 863 S HN 0.606 nan 8.310 nan 0.000 0.465 864 Y N -1.613 118.755 120.300 0.113 0.000 2.850 864 Y HA -0.374 4.176 4.550 -0.001 0.000 0.469 864 Y C 0.286 176.275 175.900 0.147 0.000 1.178 864 Y CA 0.430 58.611 58.100 0.134 0.000 2.613 864 Y CB -1.246 37.286 38.460 0.119 0.000 1.194 864 Y HN 0.291 nan 8.280 nan 0.000 0.622 865 Q N 2.672 122.681 119.800 0.348 0.000 2.314 865 Q HA 0.436 4.776 4.340 -0.001 0.000 0.259 865 Q C -0.964 175.011 176.000 -0.041 0.000 0.951 865 Q CA -0.171 55.832 55.803 0.334 0.000 0.909 865 Q CB 1.436 30.328 28.738 0.258 0.000 1.236 865 Q HN 0.313 nan 8.270 nan 0.000 0.444 866 E N 2.524 122.278 120.200 -0.742 0.000 3.702 866 E HA -0.277 4.072 4.350 -0.001 0.000 0.159 866 E C -1.175 175.313 176.600 -0.186 0.000 1.963 866 E CA 1.654 57.630 56.400 -0.706 0.000 0.824 866 E CB -0.332 29.124 29.700 -0.407 0.000 1.065 866 E HN 0.829 nan 8.360 nan 0.000 0.346 867 R N 1.812 122.293 120.500 -0.031 0.000 3.002 867 R HA 0.612 4.952 4.340 -0.001 0.000 0.092 867 R C 0.075 176.437 176.300 0.103 0.000 0.497 867 R CA -0.246 55.911 56.100 0.095 0.000 0.282 867 R CB -0.057 30.348 30.300 0.175 0.000 0.424 867 R HN 0.404 nan 8.270 nan 0.000 0.315 868 L N -0.438 120.836 121.223 0.085 0.000 7.540 868 L HA -0.328 4.012 4.340 -0.001 0.000 0.063 868 L C 1.275 178.102 176.870 -0.070 0.000 1.331 868 L CA 1.248 56.052 54.840 -0.060 0.000 1.527 868 L CB -1.637 40.483 42.059 0.102 0.000 2.835 868 L HN 0.826 nan 8.230 nan 0.000 1.154 869 S N -0.800 114.858 115.700 -0.071 0.000 2.355 869 S HA 0.217 4.686 4.470 -0.001 0.000 0.216 869 S C 0.890 175.464 174.600 -0.043 0.000 1.037 869 S CA 0.549 58.720 58.200 -0.047 0.000 0.955 869 S CB -0.553 62.626 63.200 -0.034 0.000 0.877 869 S HN 1.039 nan 8.310 nan 0.000 0.488 870 G N 0.863 109.656 108.800 -0.012 0.000 2.305 870 G HA2 0.220 4.180 3.960 -0.001 0.000 0.243 870 G HA3 0.220 4.180 3.960 -0.001 0.000 0.243 870 G C 0.131 175.030 174.900 -0.001 0.000 1.288 870 G CA 0.062 45.160 45.100 -0.003 0.000 0.901 870 G HN 0.727 nan 8.290 nan 0.000 0.516 871 N N -0.112 118.577 118.700 -0.018 0.000 2.878 871 N HA -0.257 4.482 4.740 -0.001 0.000 0.247 871 N C 1.180 176.655 175.510 -0.058 0.000 1.021 871 N CA 1.363 54.393 53.050 -0.033 0.000 0.873 871 N CB -0.348 38.117 38.487 -0.037 0.000 1.128 871 N HN 0.689 nan 8.380 nan 0.000 0.571 872 Q N -0.697 119.055 119.800 -0.081 0.000 2.063 872 Q HA 0.410 4.750 4.340 -0.001 0.000 0.234 872 Q C 1.241 177.105 176.000 -0.226 0.000 0.748 872 Q CA 0.578 56.293 55.803 -0.146 0.000 0.915 872 Q CB 0.440 29.089 28.738 -0.149 0.000 1.188 872 Q HN 0.261 nan 8.270 nan 0.000 0.456 873 A N 1.105 123.836 122.820 -0.149 0.000 1.997 873 A HA 0.252 4.572 4.320 -0.001 0.000 0.212 873 A C -0.850 176.727 177.584 -0.013 0.000 1.178 873 A CA 0.761 52.724 52.037 -0.123 0.000 0.698 873 A CB -0.651 18.333 19.000 -0.026 0.000 0.842 873 A HN 0.457 nan 8.150 nan 0.000 0.458 874 P HA 0.031 nan 4.420 nan 0.000 0.217 874 P C 1.316 178.637 177.300 0.035 0.000 1.153 874 P CA 1.287 64.429 63.100 0.070 0.000 0.843 874 P CB -0.079 31.645 31.700 0.040 0.000 0.794 875 S N -0.310 115.377 115.700 -0.022 0.000 2.515 875 S HA -0.007 4.462 4.470 -0.001 0.000 0.231 875 S C 1.730 176.289 174.600 -0.070 0.000 0.987 875 S CA 0.230 58.414 58.200 -0.026 0.000 0.936 875 S CB -1.063 62.120 63.200 -0.029 0.000 0.766 875 S HN 0.070 nan 8.310 nan 0.000 0.528 876 L N 0.163 121.276 121.223 -0.183 0.000 1.973 876 L HA -0.115 4.225 4.340 -0.001 0.000 0.208 876 L C 1.603 178.284 176.870 -0.315 0.000 1.073 876 L CA 1.680 56.296 54.840 -0.374 0.000 0.746 876 L CB -0.269 41.362 42.059 -0.715 0.000 0.891 876 L HN 0.327 nan 8.230 nan 0.000 0.433 877 Y N -0.711 119.577 120.300 -0.021 0.000 2.546 877 Y HA 0.077 4.627 4.550 -0.001 0.000 0.287 877 Y C 2.229 178.136 175.900 0.012 0.000 1.158 877 Y CA 0.253 58.353 58.100 -0.000 0.000 1.307 877 Y CB -0.556 37.906 38.460 0.003 0.000 1.036 877 Y HN 0.271 nan 8.280 nan 0.000 0.532 878 A N 0.660 123.548 122.820 0.115 0.000 1.855 878 A HA -0.107 4.212 4.320 -0.001 0.000 0.215 878 A C 1.754 179.388 177.584 0.084 0.000 1.191 878 A CA 1.538 53.627 52.037 0.087 0.000 0.613 878 A CB -0.767 18.266 19.000 0.056 0.000 0.829 878 A HN 0.392 nan 8.150 nan 0.000 0.442 879 I N 0.336 120.953 120.570 0.078 0.000 3.564 879 I HA -0.005 4.165 4.170 -0.001 0.000 0.294 879 I C 1.866 178.033 176.117 0.083 0.000 1.289 879 I CA 0.573 61.933 61.300 0.101 0.000 1.325 879 I CB 0.200 38.303 38.000 0.173 0.000 1.039 879 I HN 0.112 nan 8.210 nan 0.000 0.474 880 S N 0.785 116.529 115.700 0.073 0.000 2.427 880 S HA 0.031 4.500 4.470 -0.001 0.000 0.224 880 S C 1.911 176.568 174.600 0.095 0.000 1.047 880 S CA 0.650 58.894 58.200 0.074 0.000 0.953 880 S CB -0.213 63.050 63.200 0.105 0.000 0.824 880 S HN 0.522 nan 8.310 nan 0.000 0.502 881 L N 0.645 121.942 121.223 0.122 0.000 2.141 881 L HA 0.121 4.460 4.340 -0.001 0.000 0.209 881 L C 1.736 178.740 176.870 0.223 0.000 1.094 881 L CA 1.386 56.301 54.840 0.125 0.000 0.763 881 L CB -0.833 41.273 42.059 0.078 0.000 0.908 881 L HN 0.100 nan 8.230 nan 0.000 0.437 882 I N 0.193 120.876 120.570 0.188 0.000 2.394 882 I HA -0.137 4.033 4.170 -0.001 0.000 0.251 882 I C 2.281 178.429 176.117 0.051 0.000 1.136 882 I CA 1.070 62.496 61.300 0.211 0.000 1.425 882 I CB -0.972 37.099 38.000 0.118 0.000 1.079 882 I HN 0.246 nan 8.210 nan 0.000 0.425 883 V N -0.556 119.375 119.914 0.029 0.000 3.590 883 V HA 0.049 4.168 4.120 -0.001 0.000 0.265 883 V C 2.285 178.341 176.094 -0.063 0.000 1.239 883 V CA 0.344 62.613 62.300 -0.052 0.000 1.117 883 V CB 0.517 32.321 31.823 -0.031 0.000 0.818 883 V HN 0.177 nan 8.190 nan 0.000 0.451 884 V N 0.967 120.894 119.914 0.022 0.000 2.548 884 V HA -0.101 4.018 4.120 -0.001 0.000 0.249 884 V C 1.773 177.876 176.094 0.016 0.000 1.055 884 V CA 2.055 64.356 62.300 0.002 0.000 1.065 884 V CB -0.126 31.710 31.823 0.022 0.000 0.681 884 V HN 0.785 nan 8.190 nan 0.000 0.462 885 F N -0.958 118.898 119.950 -0.156 0.000 2.639 885 F HA 0.474 5.001 4.527 -0.001 0.000 0.300 885 F C 0.104 175.832 175.800 -0.121 0.000 1.109 885 F CA -0.442 57.448 58.000 -0.184 0.000 1.335 885 F CB 0.207 39.056 39.000 -0.251 0.000 1.014 885 F HN -0.052 nan 8.300 nan 0.000 0.537 886 L N 2.638 123.610 121.223 -0.418 0.000 2.276 886 L HA 0.340 4.680 4.340 -0.001 0.000 0.286 886 L C -0.017 176.720 176.870 -0.221 0.000 1.024 886 L CA 0.221 54.816 54.840 -0.409 0.000 0.826 886 L CB 0.445 42.294 42.059 -0.350 0.000 1.211 886 L HN 0.651 nan 8.230 nan 0.000 0.422 887 C N 3.394 122.593 119.300 -0.168 0.000 5.444 887 C HA -0.182 4.278 4.460 -0.001 0.000 0.217 887 C C 1.407 176.301 174.990 -0.160 0.000 1.175 887 C CA -0.190 58.779 59.018 -0.082 0.000 1.219 887 C CB -1.931 25.771 27.740 -0.064 0.000 1.997 887 C HN 0.716 nan 8.230 nan 0.000 0.644 888 L N 0.188 121.243 121.223 -0.280 0.000 2.627 888 L HA 0.418 4.757 4.340 -0.001 0.000 0.232 888 L C 1.735 178.495 176.870 -0.184 0.000 1.150 888 L CA 1.766 56.311 54.840 -0.492 0.000 0.917 888 L CB -0.223 41.654 42.059 -0.303 0.000 1.104 888 L HN 0.539 nan 8.230 nan 0.000 0.445 889 A N -1.385 121.436 122.820 0.002 0.000 1.977 889 A HA 0.512 4.832 4.320 -0.001 0.000 0.197 889 A C 1.313 178.985 177.584 0.146 0.000 1.554 889 A CA 0.383 52.475 52.037 0.092 0.000 1.037 889 A CB -0.171 18.839 19.000 0.016 0.000 1.083 889 A HN 0.129 nan 8.150 nan 0.000 0.471 890 A N 0.413 123.313 122.820 0.133 0.000 2.535 890 A HA 0.486 4.805 4.320 -0.001 0.000 0.290 890 A C 0.848 178.507 177.584 0.126 0.000 1.270 890 A CA 0.782 52.879 52.037 0.100 0.000 0.937 890 A CB -1.252 17.782 19.000 0.058 0.000 1.096 890 A HN 1.255 nan 8.150 nan 0.000 0.534 891 L N 0.007 121.225 121.223 -0.008 0.000 4.586 891 L HA -0.285 4.055 4.340 -0.001 0.000 0.401 891 L C 0.271 176.948 176.870 -0.322 0.000 0.854 891 L CA 1.033 55.758 54.840 -0.193 0.000 1.918 891 L CB -1.807 40.067 42.059 -0.308 0.000 1.631 891 L HN 0.824 nan 8.230 nan 0.000 0.579 892 Y N -0.520 119.747 120.300 -0.055 0.000 2.531 892 Y HA 0.285 4.834 4.550 -0.001 0.000 0.249 892 Y C 1.386 177.253 175.900 -0.055 0.000 1.168 892 Y CA -0.197 57.874 58.100 -0.049 0.000 1.226 892 Y CB 0.341 38.777 38.460 -0.040 0.000 1.177 892 Y HN 0.129 nan 8.280 nan 0.000 0.527 893 E N -0.618 119.608 120.200 0.044 0.000 3.259 893 E HA -0.300 4.049 4.350 -0.001 0.000 0.332 893 E C 0.677 177.219 176.600 -0.095 0.000 1.477 893 E CA 1.126 57.502 56.400 -0.040 0.000 1.742 893 E CB -1.440 28.225 29.700 -0.058 0.000 1.842 893 E HN 0.264 nan 8.360 nan 0.000 0.499 894 S N -0.448 115.132 115.700 -0.199 0.000 2.562 894 S HA 0.159 4.629 4.470 -0.001 0.000 0.256 894 S C 0.371 174.847 174.600 -0.207 0.000 1.248 894 S CA 0.427 58.348 58.200 -0.465 0.000 0.988 894 S CB -0.139 62.698 63.200 -0.606 0.000 1.035 894 S HN 0.378 nan 8.310 nan 0.000 0.548 895 W N 1.308 122.686 121.300 0.131 0.000 3.310 895 W HA 0.276 4.935 4.660 -0.001 0.000 0.395 895 W C 1.566 178.192 176.519 0.178 0.000 1.059 895 W CA 0.006 57.465 57.345 0.189 0.000 1.845 895 W CB -1.153 28.443 29.460 0.226 0.000 0.908 895 W HN 0.562 nan 8.180 nan 0.000 0.798 896 S N -0.506 115.307 115.700 0.188 0.000 2.441 896 S HA -0.043 4.427 4.470 -0.001 0.000 0.224 896 S C 1.490 176.161 174.600 0.117 0.000 1.043 896 S CA 0.514 58.779 58.200 0.109 0.000 0.948 896 S CB -0.289 62.905 63.200 -0.011 0.000 0.810 896 S HN 0.229 nan 8.310 nan 0.000 0.504 897 I N 2.396 123.038 120.570 0.120 0.000 2.585 897 I HA 0.173 4.342 4.170 -0.001 0.000 0.254 897 I C -1.465 174.685 176.117 0.054 0.000 1.129 897 I CA -0.464 60.884 61.300 0.079 0.000 1.455 897 I CB -0.945 37.107 38.000 0.086 0.000 1.111 897 I HN 0.133 nan 8.210 nan 0.000 0.433 898 P HA -0.173 nan 4.420 nan 0.000 0.224 898 P C 0.753 177.876 177.300 -0.294 0.000 1.138 898 P CA 1.656 64.775 63.100 0.032 0.000 0.780 898 P CB -0.180 31.689 31.700 0.282 0.000 0.755 899 F N -3.200 116.767 119.950 0.028 0.000 2.746 899 F HA 0.176 4.702 4.527 -0.001 0.000 0.320 899 F C 1.993 177.776 175.800 -0.028 0.000 1.097 899 F CA 0.059 58.052 58.000 -0.011 0.000 1.195 899 F CB -0.154 38.842 39.000 -0.007 0.000 1.056 899 F HN -0.263 nan 8.300 nan 0.000 0.562 900 S N 0.302 116.054 115.700 0.086 0.000 2.348 900 S HA -0.113 4.356 4.470 -0.001 0.000 0.221 900 S C 1.485 176.062 174.600 -0.039 0.000 1.033 900 S CA 1.601 59.810 58.200 0.015 0.000 1.010 900 S CB -0.397 62.800 63.200 -0.006 0.000 0.891 900 S HN 0.176 nan 8.310 nan 0.000 0.442 901 V N -1.117 118.754 119.914 -0.073 0.000 5.342 901 V HA 0.513 4.633 4.120 -0.001 0.000 0.274 901 V C 1.122 177.168 176.094 -0.080 0.000 1.432 901 V CA 0.050 62.297 62.300 -0.088 0.000 0.695 901 V CB -0.498 31.255 31.823 -0.115 0.000 1.334 901 V HN 0.382 nan 8.190 nan 0.000 0.400 902 M N -1.417 118.124 119.600 -0.098 0.000 2.806 902 M HA -0.264 4.215 4.480 -0.001 0.000 0.148 902 M C 0.457 176.729 176.300 -0.046 0.000 0.696 902 M CA 2.614 57.843 55.300 -0.118 0.000 0.564 902 M CB -1.686 30.748 32.600 -0.277 0.000 2.074 902 M HN 0.566 nan 8.290 nan 0.000 0.263 903 L N -1.911 119.321 121.223 0.015 0.000 3.086 903 L HA 0.250 4.590 4.340 -0.001 0.000 0.274 903 L C 1.375 178.285 176.870 0.066 0.000 1.184 903 L CA -0.062 54.844 54.840 0.111 0.000 1.002 903 L CB 0.442 42.627 42.059 0.210 0.000 1.383 903 L HN 0.183 nan 8.230 nan 0.000 0.582 904 V N 0.102 120.004 119.914 -0.020 0.000 2.788 904 V HA -0.159 3.961 4.120 -0.001 0.000 0.251 904 V C 2.492 178.572 176.094 -0.023 0.000 1.068 904 V CA 1.554 63.819 62.300 -0.058 0.000 1.090 904 V CB 0.440 32.202 31.823 -0.101 0.000 0.710 904 V HN 0.422 nan 8.190 nan 0.000 0.467 905 V N -0.525 119.379 119.914 -0.017 0.000 2.317 905 V HA -0.142 3.977 4.120 -0.001 0.000 0.251 905 V C -0.107 175.980 176.094 -0.013 0.000 1.065 905 V CA 2.151 64.436 62.300 -0.025 0.000 1.049 905 V CB -2.494 29.304 31.823 -0.042 0.000 0.651 905 V HN 0.565 nan 8.190 nan 0.000 0.450 906 P HA 0.162 nan 4.420 nan 0.000 0.253 906 P C 1.508 178.831 177.300 0.038 0.000 1.260 906 P CA 0.138 63.246 63.100 0.013 0.000 0.800 906 P CB 0.142 31.847 31.700 0.008 0.000 1.162 907 L N 0.077 121.327 121.223 0.045 0.000 2.023 907 L HA 0.035 4.374 4.340 -0.001 0.000 0.205 907 L C 2.602 179.472 176.870 0.001 0.000 1.073 907 L CA 2.211 57.064 54.840 0.022 0.000 0.745 907 L CB -2.200 39.847 42.059 -0.019 0.000 0.900 907 L HN 0.068 nan 8.230 nan 0.000 0.435 908 G N -0.620 108.173 108.800 -0.011 0.000 2.476 908 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.218 908 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.218 908 G C 1.711 176.620 174.900 0.014 0.000 1.164 908 G CA 1.301 46.399 45.100 -0.003 0.000 0.768 908 G HN 0.277 nan 8.290 nan 0.000 0.560 909 V N 1.048 120.961 119.914 -0.001 0.000 2.332 909 V HA -0.200 3.920 4.120 -0.001 0.000 0.248 909 V C 2.617 178.723 176.094 0.020 0.000 1.055 909 V CA 1.633 63.934 62.300 0.001 0.000 1.038 909 V CB -0.551 31.249 31.823 -0.038 0.000 0.651 909 V HN 0.399 nan 8.190 nan 0.000 0.450 910 I N 1.640 122.208 120.570 -0.003 0.000 2.151 910 I HA -0.218 3.952 4.170 -0.001 0.000 0.243 910 I C 2.241 178.374 176.117 0.026 0.000 1.080 910 I CA 2.215 63.510 61.300 -0.009 0.000 1.339 910 I CB -0.856 37.135 38.000 -0.015 0.000 1.039 910 I HN 0.241 nan 8.210 nan 0.000 0.409 911 G N -0.694 108.134 108.800 0.046 0.000 2.448 911 G HA2 -0.083 3.876 3.960 -0.001 0.000 0.218 911 G HA3 -0.083 3.876 3.960 -0.001 0.000 0.218 911 G C 1.703 176.676 174.900 0.122 0.000 1.135 911 G CA 0.584 45.723 45.100 0.065 0.000 0.784 911 G HN 0.626 nan 8.290 nan 0.000 0.543 912 A N 0.847 123.773 122.820 0.177 0.000 1.902 912 A HA 0.072 4.392 4.320 -0.001 0.000 0.217 912 A C 2.305 180.138 177.584 0.415 0.000 1.181 912 A CA 1.584 53.836 52.037 0.358 0.000 0.623 912 A CB -0.319 18.908 19.000 0.379 0.000 0.818 912 A HN 0.356 nan 8.150 nan 0.000 0.443 913 L N -1.395 120.001 121.223 0.287 0.000 2.179 913 L HA 0.034 4.374 4.340 -0.001 0.000 0.208 913 L C 2.190 179.116 176.870 0.092 0.000 1.096 913 L CA 0.601 55.546 54.840 0.174 0.000 0.779 913 L CB -0.890 41.217 42.059 0.080 0.000 0.922 913 L HN 0.165 nan 8.230 nan 0.000 0.443 914 L N 0.611 121.892 121.223 0.096 0.000 2.017 914 L HA -0.127 4.213 4.340 -0.001 0.000 0.208 914 L C 2.610 179.565 176.870 0.143 0.000 1.073 914 L CA 2.039 56.944 54.840 0.109 0.000 0.745 914 L CB -0.987 41.099 42.059 0.045 0.000 0.894 914 L HN 0.289 nan 8.230 nan 0.000 0.432 915 A N -1.404 121.484 122.820 0.114 0.000 2.206 915 A HA 0.252 4.572 4.320 -0.001 0.000 0.211 915 A C 1.885 179.513 177.584 0.073 0.000 1.158 915 A CA 0.949 53.052 52.037 0.111 0.000 0.761 915 A CB -0.589 18.475 19.000 0.107 0.000 0.801 915 A HN 0.312 nan 8.150 nan 0.000 0.473 916 A N -1.274 121.557 122.820 0.018 0.000 2.577 916 A HA 0.477 4.796 4.320 -0.001 0.000 0.280 916 A C 1.127 178.681 177.584 -0.050 0.000 1.331 916 A CA 0.815 52.793 52.037 -0.098 0.000 0.935 916 A CB -0.141 18.626 19.000 -0.387 0.000 1.082 916 A HN 0.258 nan 8.150 nan 0.000 0.525 917 T N -2.417 112.160 114.554 0.038 0.000 3.434 917 T HA 0.141 4.490 4.350 -0.001 0.000 0.279 917 T C 0.804 175.520 174.700 0.027 0.000 0.955 917 T CA 0.050 62.167 62.100 0.029 0.000 1.048 917 T CB -0.270 68.632 68.868 0.058 0.000 1.186 917 T HN 0.213 nan 8.240 nan 0.000 0.485 918 F N 1.988 121.937 119.950 -0.003 0.000 2.805 918 F HA 0.302 4.829 4.527 -0.001 0.000 0.301 918 F C 2.249 178.054 175.800 0.009 0.000 1.196 918 F CA 0.372 58.377 58.000 0.008 0.000 1.439 918 F CB 0.174 39.184 39.000 0.017 0.000 1.117 918 F HN -0.064 nan 8.300 nan 0.000 0.581 919 R N -0.814 119.754 120.500 0.114 0.000 2.310 919 R HA 0.230 4.570 4.340 -0.001 0.000 0.199 919 R C 1.512 177.822 176.300 0.017 0.000 0.891 919 R CA 1.127 57.267 56.100 0.067 0.000 1.060 919 R CB 0.455 30.794 30.300 0.065 0.000 1.188 919 R HN 0.243 nan 8.270 nan 0.000 0.607 920 G N 1.540 110.336 108.800 -0.006 0.000 2.179 920 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.220 920 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.220 920 G C 0.090 174.977 174.900 -0.022 0.000 0.990 920 G CA 0.283 45.369 45.100 -0.023 0.000 0.646 920 G HN 0.249 nan 8.290 nan 0.000 0.517 921 L N 0.697 121.903 121.223 -0.027 0.000 2.461 921 L HA 0.654 4.994 4.340 -0.001 0.000 0.259 921 L C 1.028 177.842 176.870 -0.093 0.000 1.248 921 L CA 1.177 55.988 54.840 -0.048 0.000 0.823 921 L CB 1.074 43.098 42.059 -0.059 0.000 1.111 921 L HN 0.322 nan 8.230 nan 0.000 0.516 922 T N 0.571 115.061 114.554 -0.107 0.000 2.903 922 T HA 0.185 4.534 4.350 -0.001 0.000 0.299 922 T C -0.496 174.111 174.700 -0.155 0.000 1.093 922 T CA -0.845 61.189 62.100 -0.110 0.000 1.002 922 T CB 0.967 69.823 68.868 -0.021 0.000 1.127 922 T HN 0.712 nan 8.240 nan 0.000 0.488 923 N N 3.769 122.399 118.700 -0.116 0.000 2.399 923 N HA -0.000 4.739 4.740 -0.001 0.000 0.284 923 N C -0.214 175.409 175.510 0.189 0.000 1.283 923 N CA 0.042 53.135 53.050 0.073 0.000 0.972 923 N CB 0.170 38.788 38.487 0.218 0.000 1.328 923 N HN 0.710 nan 8.380 nan 0.000 0.486 924 D N 1.260 121.821 120.400 0.267 0.000 2.595 924 D HA 0.087 4.727 4.640 -0.001 0.000 0.268 924 D C 0.615 176.979 176.300 0.107 0.000 1.181 924 D CA -0.547 53.553 54.000 0.166 0.000 1.085 924 D CB 0.802 41.715 40.800 0.188 0.000 1.186 924 D HN 0.104 nan 8.370 nan 0.000 0.621 925 V N 0.232 120.052 119.914 -0.157 0.000 3.252 925 V HA 0.094 4.213 4.120 -0.001 0.000 0.350 925 V C -0.127 175.596 176.094 -0.619 0.000 1.329 925 V CA 0.163 62.190 62.300 -0.456 0.000 1.258 925 V CB -1.769 29.589 31.823 -0.776 0.000 1.208 925 V HN 0.456 nan 8.190 nan 0.000 0.462 926 Y N -2.139 118.198 120.300 0.061 0.000 2.731 926 Y HA 0.164 4.714 4.550 -0.001 0.000 0.269 926 Y C 1.673 177.687 175.900 0.189 0.000 1.156 926 Y CA -0.154 58.018 58.100 0.119 0.000 1.191 926 Y CB -0.079 38.487 38.460 0.177 0.000 1.382 926 Y HN 0.242 nan 8.280 nan 0.000 0.477 927 F N 1.601 121.704 119.950 0.253 0.000 2.234 927 F HA -0.107 4.420 4.527 -0.001 0.000 0.299 927 F C 1.870 177.783 175.800 0.189 0.000 1.087 927 F CA 1.565 59.685 58.000 0.200 0.000 1.340 927 F CB -0.035 39.071 39.000 0.178 0.000 1.031 927 F HN -0.008 nan 8.300 nan 0.000 0.500 928 Q N 0.043 119.896 119.800 0.088 0.000 2.373 928 Q HA 0.082 4.422 4.340 -0.001 0.000 0.206 928 Q C 0.770 176.830 176.000 0.100 0.000 0.942 928 Q CA 0.220 56.046 55.803 0.037 0.000 0.953 928 Q CB 0.247 29.097 28.738 0.187 0.000 1.022 928 Q HN 0.435 nan 8.270 nan 0.000 0.502 929 V N -2.386 117.577 119.914 0.081 0.000 3.562 929 V HA 0.138 4.258 4.120 -0.001 0.000 0.270 929 V C 1.743 177.897 176.094 0.100 0.000 1.418 929 V CA 0.904 63.263 62.300 0.099 0.000 1.033 929 V CB 0.880 32.753 31.823 0.083 0.000 0.820 929 V HN 0.400 nan 8.190 nan 0.000 0.441 930 G N 0.378 109.224 108.800 0.077 0.000 2.421 930 G HA2 -0.112 3.848 3.960 -0.001 0.000 0.217 930 G HA3 -0.112 3.848 3.960 -0.001 0.000 0.217 930 G C 1.413 176.306 174.900 -0.013 0.000 1.143 930 G CA 0.515 45.654 45.100 0.066 0.000 0.784 930 G HN 0.462 nan 8.290 nan 0.000 0.541 931 L N 0.136 121.280 121.223 -0.132 0.000 2.465 931 L HA 0.159 4.498 4.340 -0.001 0.000 0.224 931 L C 2.321 179.263 176.870 0.120 0.000 1.145 931 L CA 0.220 55.014 54.840 -0.076 0.000 0.834 931 L CB -0.075 41.907 42.059 -0.129 0.000 0.944 931 L HN 0.225 nan 8.230 nan 0.000 0.451 932 L N -1.857 119.472 121.223 0.178 0.000 2.388 932 L HA 0.027 4.367 4.340 -0.001 0.000 0.209 932 L C 2.672 179.776 176.870 0.389 0.000 1.061 932 L CA 0.949 55.974 54.840 0.309 0.000 0.834 932 L CB -0.957 41.284 42.059 0.304 0.000 1.029 932 L HN 0.277 nan 8.230 nan 0.000 0.473 933 T N -2.485 112.227 114.554 0.263 0.000 2.770 933 T HA -0.167 4.182 4.350 -0.001 0.000 0.263 933 T C 1.961 176.793 174.700 0.219 0.000 1.039 933 T CA 1.763 64.034 62.100 0.283 0.000 1.142 933 T CB -0.978 68.020 68.868 0.218 0.000 0.868 933 T HN 0.392 nan 8.240 nan 0.000 0.435 934 T N 0.589 115.230 114.554 0.146 0.000 2.833 934 T HA -0.004 4.345 4.350 -0.001 0.000 0.269 934 T C 1.909 176.624 174.700 0.026 0.000 1.054 934 T CA 0.799 62.940 62.100 0.069 0.000 1.135 934 T CB -0.713 68.188 68.868 0.055 0.000 0.869 934 T HN 0.238 nan 8.240 nan 0.000 0.466 935 I N 2.496 123.097 120.570 0.051 0.000 2.252 935 I HA 0.120 4.290 4.170 -0.001 0.000 0.245 935 I C 2.843 178.945 176.117 -0.024 0.000 1.102 935 I CA 1.077 62.384 61.300 0.012 0.000 1.385 935 I CB -0.990 37.031 38.000 0.035 0.000 1.064 935 I HN 0.432 nan 8.210 nan 0.000 0.414 936 G N 0.258 109.061 108.800 0.005 0.000 2.403 936 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.216 936 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.216 936 G C 1.635 176.507 174.900 -0.048 0.000 1.154 936 G CA 0.287 45.339 45.100 -0.080 0.000 0.784 936 G HN 0.334 nan 8.290 nan 0.000 0.538 937 L N 1.360 122.575 121.223 -0.013 0.000 2.083 937 L HA -0.022 4.318 4.340 -0.001 0.000 0.209 937 L C 2.307 179.094 176.870 -0.138 0.000 1.083 937 L CA 2.133 56.909 54.840 -0.107 0.000 0.752 937 L CB -0.979 40.970 42.059 -0.184 0.000 0.899 937 L HN 0.191 nan 8.230 nan 0.000 0.433 938 S N 0.581 116.217 115.700 -0.107 0.000 2.469 938 S HA -0.028 4.442 4.470 -0.001 0.000 0.238 938 S C 1.793 176.326 174.600 -0.111 0.000 0.998 938 S CA 0.854 58.988 58.200 -0.111 0.000 0.957 938 S CB -0.335 62.810 63.200 -0.091 0.000 0.764 938 S HN 0.642 nan 8.310 nan 0.000 0.514 939 A N 1.191 123.946 122.820 -0.109 0.000 2.276 939 A HA 0.101 4.420 4.320 -0.001 0.000 0.212 939 A C 1.683 179.212 177.584 -0.091 0.000 1.230 939 A CA 0.718 52.690 52.037 -0.110 0.000 0.844 939 A CB -0.227 18.698 19.000 -0.125 0.000 0.860 939 A HN 0.520 nan 8.150 nan 0.000 0.486 940 K N -2.240 118.105 120.400 -0.092 0.000 2.450 940 K HA 0.246 4.566 4.320 -0.001 0.000 0.206 940 K C 0.717 177.280 176.600 -0.061 0.000 1.148 940 K CA 0.594 56.839 56.287 -0.069 0.000 1.014 940 K CB -0.029 32.427 32.500 -0.074 0.000 0.966 940 K HN 0.071 nan 8.250 nan 0.000 0.566 941 N N 0.908 119.552 118.700 -0.094 0.000 2.278 941 N HA 0.153 4.892 4.740 -0.001 0.000 0.181 941 N C 1.455 176.908 175.510 -0.096 0.000 1.023 941 N CA 1.623 54.614 53.050 -0.097 0.000 0.862 941 N CB -0.001 38.406 38.487 -0.134 0.000 1.003 941 N HN 0.327 nan 8.380 nan 0.000 0.431 942 A N 0.216 122.967 122.820 -0.114 0.000 1.919 942 A HA 0.216 4.536 4.320 -0.001 0.000 0.211 942 A C 1.876 179.404 177.584 -0.094 0.000 1.310 942 A CA 0.235 52.189 52.037 -0.139 0.000 0.651 942 A CB -0.683 18.224 19.000 -0.154 0.000 0.996 942 A HN 0.119 nan 8.150 nan 0.000 0.479 943 I N 0.076 120.590 120.570 -0.092 0.000 2.916 943 I HA -0.014 4.155 4.170 -0.001 0.000 0.267 943 I C 1.158 177.252 176.117 -0.039 0.000 1.263 943 I CA 0.601 61.853 61.300 -0.080 0.000 1.471 943 I CB 0.140 38.050 38.000 -0.150 0.000 1.089 943 I HN 0.287 nan 8.210 nan 0.000 0.468 944 L N 0.935 122.136 121.223 -0.037 0.000 2.912 944 L HA 0.209 4.548 4.340 -0.001 0.000 0.240 944 L C 0.899 177.868 176.870 0.166 0.000 1.262 944 L CA 0.379 55.195 54.840 -0.040 0.000 1.058 944 L CB -0.224 41.824 42.059 -0.018 0.000 1.383 944 L HN 0.320 nan 8.230 nan 0.000 0.512 945 I N -5.659 115.010 120.570 0.165 0.000 4.730 945 I HA 0.121 4.290 4.170 -0.001 0.000 0.332 945 I C 1.421 177.696 176.117 0.264 0.000 1.299 945 I CA 0.163 61.672 61.300 0.348 0.000 1.294 945 I CB -0.019 38.124 38.000 0.238 0.000 1.317 945 I HN -0.206 nan 8.210 nan 0.000 0.457 946 V N 1.048 121.036 119.914 0.123 0.000 2.346 946 V HA -0.080 4.039 4.120 -0.001 0.000 0.244 946 V C 2.120 178.288 176.094 0.124 0.000 1.037 946 V CA 1.989 64.359 62.300 0.118 0.000 1.029 946 V CB -0.626 31.239 31.823 0.070 0.000 0.663 946 V HN 0.497 nan 8.190 nan 0.000 0.454 947 E N -1.206 119.034 120.200 0.067 0.000 2.321 947 E HA 0.065 4.414 4.350 -0.001 0.000 0.189 947 E C 1.197 177.655 176.600 -0.238 0.000 1.125 947 E CA 0.084 56.442 56.400 -0.070 0.000 1.005 947 E CB -0.135 29.504 29.700 -0.102 0.000 1.140 947 E HN 0.688 nan 8.360 nan 0.000 0.457 948 F N -1.729 118.267 119.950 0.076 0.000 2.747 948 F HA 0.282 4.809 4.527 -0.001 0.000 0.305 948 F C 1.985 177.831 175.800 0.077 0.000 1.065 948 F CA 0.184 58.225 58.000 0.069 0.000 1.230 948 F CB 0.521 39.572 39.000 0.085 0.000 1.027 948 F HN 0.153 nan 8.300 nan 0.000 0.607 949 A N -0.224 122.761 122.820 0.276 0.000 1.943 949 A HA -0.038 4.282 4.320 -0.001 0.000 0.213 949 A C 2.100 179.765 177.584 0.135 0.000 1.181 949 A CA 0.827 52.983 52.037 0.199 0.000 0.653 949 A CB -0.249 18.878 19.000 0.212 0.000 0.833 949 A HN 0.040 nan 8.150 nan 0.000 0.451 950 K N -0.005 120.459 120.400 0.106 0.000 2.155 950 K HA -0.133 4.186 4.320 -0.001 0.000 0.203 950 K C 0.733 177.352 176.600 0.032 0.000 1.052 950 K CA 1.361 57.684 56.287 0.060 0.000 0.948 950 K CB -0.206 32.321 32.500 0.045 0.000 0.728 950 K HN 0.305 nan 8.250 nan 0.000 0.448 951 D N 0.654 121.076 120.400 0.037 0.000 2.224 951 D HA -0.086 4.554 4.640 -0.001 0.000 0.205 951 D C 1.689 178.031 176.300 0.071 0.000 0.965 951 D CA 0.347 54.366 54.000 0.032 0.000 0.852 951 D CB 0.252 41.072 40.800 0.034 0.000 0.947 951 D HN 0.124 nan 8.370 nan 0.000 0.494 952 L N -0.180 121.104 121.223 0.103 0.000 2.341 952 L HA 0.090 4.429 4.340 -0.001 0.000 0.214 952 L C 1.030 177.943 176.870 0.072 0.000 1.115 952 L CA 0.444 55.337 54.840 0.090 0.000 0.820 952 L CB -0.258 41.862 42.059 0.103 0.000 0.944 952 L HN 0.107 nan 8.230 nan 0.000 0.452 953 M N -1.028 118.618 119.600 0.076 0.000 2.363 953 M HA 0.143 4.622 4.480 -0.001 0.000 0.280 953 M C 0.886 177.216 176.300 0.052 0.000 1.182 953 M CA 0.453 55.799 55.300 0.076 0.000 0.974 953 M CB 0.642 33.305 32.600 0.104 0.000 1.452 953 M HN 0.062 nan 8.290 nan 0.000 0.507 954 D N -0.495 119.936 120.400 0.052 0.000 4.565 954 D HA -0.319 4.321 4.640 -0.001 0.000 0.225 954 D C 0.882 177.193 176.300 0.017 0.000 0.678 954 D CA 2.656 56.675 54.000 0.032 0.000 1.701 954 D CB -0.773 40.040 40.800 0.020 0.000 1.028 954 D HN 0.699 nan 8.370 nan 0.000 0.400 955 K N 1.155 121.560 120.400 0.007 0.000 2.288 955 K HA 0.044 4.364 4.320 -0.001 0.000 0.201 955 K C 0.916 177.522 176.600 0.010 0.000 1.048 955 K CA 0.774 57.062 56.287 0.001 0.000 0.956 955 K CB 0.191 32.684 32.500 -0.012 0.000 0.746 955 K HN 0.393 nan 8.250 nan 0.000 0.461 956 E N -0.581 119.631 120.200 0.020 0.000 2.355 956 E HA 0.292 4.642 4.350 -0.001 0.000 0.261 956 E C -0.715 175.902 176.600 0.028 0.000 0.943 956 E CA -0.841 55.574 56.400 0.025 0.000 0.806 956 E CB 1.477 31.198 29.700 0.035 0.000 1.286 956 E HN 0.120 nan 8.360 nan 0.000 0.424 957 G N 2.372 111.187 108.800 0.025 0.000 2.248 957 G HA2 -0.033 3.926 3.960 -0.001 0.000 0.260 957 G HA3 -0.033 3.926 3.960 -0.001 0.000 0.260 957 G C -0.061 174.858 174.900 0.033 0.000 1.214 957 G CA 0.172 45.286 45.100 0.024 0.000 0.979 957 G HN 0.336 nan 8.290 nan 0.000 0.454 958 K N 0.870 121.290 120.400 0.034 0.000 2.188 958 K HA 0.473 4.793 4.320 -0.001 0.000 0.246 958 K C 0.535 177.161 176.600 0.044 0.000 1.026 958 K CA 0.628 56.944 56.287 0.048 0.000 0.871 958 K CB 0.700 33.227 32.500 0.045 0.000 1.042 958 K HN 0.720 nan 8.250 nan 0.000 0.509 959 G N 0.607 109.445 108.800 0.063 0.000 1.843 959 G HA2 0.182 4.141 3.960 -0.001 0.000 0.278 959 G HA3 0.182 4.141 3.960 -0.001 0.000 0.278 959 G C -0.097 174.857 174.900 0.090 0.000 1.708 959 G CA -0.746 44.386 45.100 0.054 0.000 0.918 959 G HN 0.345 nan 8.290 nan 0.000 0.661 960 L N 1.782 123.058 121.223 0.088 0.000 1.994 960 L HA 0.121 4.460 4.340 -0.001 0.000 0.208 960 L C 2.475 179.414 176.870 0.114 0.000 1.071 960 L CA 1.906 56.837 54.840 0.152 0.000 0.745 960 L CB -0.287 41.829 42.059 0.096 0.000 0.892 960 L HN 0.691 nan 8.230 nan 0.000 0.431 961 I N -2.137 118.467 120.570 0.056 0.000 4.139 961 I HA 0.056 4.226 4.170 -0.001 0.000 0.335 961 I C 1.479 177.597 176.117 0.002 0.000 1.327 961 I CA 0.061 61.375 61.300 0.023 0.000 1.112 961 I CB 0.161 38.163 38.000 0.004 0.000 1.058 961 I HN 0.130 nan 8.210 nan 0.000 0.396 962 E N 1.280 121.489 120.200 0.014 0.000 2.415 962 E HA 0.215 4.564 4.350 -0.001 0.000 0.197 962 E C 1.790 178.396 176.600 0.010 0.000 1.007 962 E CA 0.630 57.032 56.400 0.004 0.000 0.890 962 E CB 0.732 30.435 29.700 0.004 0.000 0.891 962 E HN 0.427 nan 8.360 nan 0.000 0.496 963 A N 0.540 123.377 122.820 0.029 0.000 2.108 963 A HA 0.034 4.354 4.320 -0.001 0.000 0.206 963 A C 2.152 179.763 177.584 0.044 0.000 1.212 963 A CA 0.875 52.935 52.037 0.039 0.000 0.843 963 A CB -0.071 18.964 19.000 0.058 0.000 0.902 963 A HN 0.158 nan 8.150 nan 0.000 0.477 964 T N -0.634 113.949 114.554 0.047 0.000 2.951 964 T HA -0.030 4.320 4.350 -0.001 0.000 0.268 964 T C 1.593 176.253 174.700 -0.066 0.000 1.073 964 T CA 1.449 63.580 62.100 0.052 0.000 1.134 964 T CB -0.332 68.599 68.868 0.104 0.000 0.884 964 T HN 0.162 nan 8.240 nan 0.000 0.479 965 L N 0.991 122.154 121.223 -0.101 0.000 2.270 965 L HA 0.193 4.533 4.340 -0.001 0.000 0.210 965 L C 2.201 179.020 176.870 -0.084 0.000 1.104 965 L CA 1.169 55.916 54.840 -0.154 0.000 0.804 965 L CB -0.347 41.630 42.059 -0.137 0.000 0.937 965 L HN 0.210 nan 8.230 nan 0.000 0.450 966 D N -0.572 119.804 120.400 -0.041 0.000 2.183 966 D HA -0.094 4.545 4.640 -0.001 0.000 0.203 966 D C 2.180 178.462 176.300 -0.030 0.000 0.969 966 D CA 1.142 55.128 54.000 -0.023 0.000 0.842 966 D CB 0.300 41.097 40.800 -0.004 0.000 0.957 966 D HN 0.225 nan 8.370 nan 0.000 0.484 967 A N -0.018 122.793 122.820 -0.015 0.000 1.897 967 A HA -0.053 4.266 4.320 -0.001 0.000 0.215 967 A C 2.088 179.625 177.584 -0.077 0.000 1.181 967 A CA 1.066 53.086 52.037 -0.028 0.000 0.620 967 A CB -0.718 18.335 19.000 0.089 0.000 0.821 967 A HN 0.184 nan 8.150 nan 0.000 0.443 968 V N -0.182 119.715 119.914 -0.028 0.000 3.570 968 V HA 0.126 4.245 4.120 -0.001 0.000 0.293 968 V C 1.460 177.553 176.094 -0.001 0.000 1.237 968 V CA 1.059 63.367 62.300 0.015 0.000 1.226 968 V CB -1.122 30.668 31.823 -0.055 0.000 1.028 968 V HN 0.551 nan 8.190 nan 0.000 0.430 969 R N 0.219 120.685 120.500 -0.056 0.000 2.541 969 R HA 0.293 4.632 4.340 -0.001 0.000 0.332 969 R C 1.049 177.294 176.300 -0.092 0.000 0.951 969 R CA 0.185 56.249 56.100 -0.061 0.000 1.136 969 R CB 0.458 30.737 30.300 -0.035 0.000 1.449 969 R HN 0.661 nan 8.270 nan 0.000 0.531 970 M N -0.482 119.042 119.600 -0.127 0.000 2.747 970 M HA 0.390 4.869 4.480 -0.001 0.000 0.402 970 M C 0.111 176.293 176.300 -0.197 0.000 1.238 970 M CA -0.353 54.868 55.300 -0.132 0.000 0.877 970 M CB 1.251 33.786 32.600 -0.109 0.000 1.424 970 M HN -0.142 nan 8.290 nan 0.000 0.511 971 R N 1.293 121.668 120.500 -0.209 0.000 2.558 971 R HA 0.037 4.376 4.340 -0.001 0.000 0.098 971 R C 0.232 176.445 176.300 -0.145 0.000 0.519 971 R CA -0.010 55.965 56.100 -0.208 0.000 0.752 971 R CB -1.493 28.583 30.300 -0.373 0.000 0.983 971 R HN 0.472 nan 8.270 nan 0.000 0.583 972 L N -0.862 120.286 121.223 -0.124 0.000 2.465 972 L HA 0.284 4.623 4.340 -0.001 0.000 0.224 972 L C 1.908 178.724 176.870 -0.090 0.000 1.145 972 L CA 0.999 55.773 54.840 -0.110 0.000 0.834 972 L CB -1.264 40.692 42.059 -0.172 0.000 0.944 972 L HN 0.150 nan 8.230 nan 0.000 0.451 973 R N 0.972 121.438 120.500 -0.057 0.000 2.132 973 R HA -0.139 4.201 4.340 -0.001 0.000 0.233 973 R C -0.172 176.030 176.300 -0.163 0.000 1.125 973 R CA 2.701 58.788 56.100 -0.021 0.000 0.914 973 R CB -1.411 28.905 30.300 0.027 0.000 0.845 973 R HN 0.324 nan 8.270 nan 0.000 0.431 974 P HA -0.189 nan 4.420 nan 0.000 0.212 974 P C 0.701 177.917 177.300 -0.139 0.000 1.174 974 P CA 1.577 64.601 63.100 -0.127 0.000 0.934 974 P CB -0.107 31.567 31.700 -0.045 0.000 0.791 975 I N -1.403 119.112 120.570 -0.092 0.000 3.493 975 I HA -0.087 4.083 4.170 -0.001 0.000 0.311 975 I C 1.720 177.768 176.117 -0.115 0.000 1.210 975 I CA 1.115 62.360 61.300 -0.091 0.000 1.210 975 I CB -0.736 37.238 38.000 -0.044 0.000 0.993 975 I HN 0.049 nan 8.210 nan 0.000 0.539 976 L N -0.317 120.817 121.223 -0.148 0.000 3.048 976 L HA 0.196 4.535 4.340 -0.001 0.000 0.278 976 L C 1.800 178.536 176.870 -0.225 0.000 1.057 976 L CA 0.729 55.494 54.840 -0.126 0.000 1.073 976 L CB -0.023 42.006 42.059 -0.050 0.000 1.802 976 L HN 0.403 nan 8.230 nan 0.000 0.562 977 M N -3.108 116.198 119.600 -0.490 0.000 2.486 977 M HA 0.078 4.557 4.480 -0.001 0.000 0.264 977 M C 1.397 177.490 176.300 -0.344 0.000 1.125 977 M CA 1.377 56.210 55.300 -0.778 0.000 1.144 977 M CB -0.343 31.325 32.600 -1.552 0.000 1.353 977 M HN -0.131 nan 8.290 nan 0.000 0.466 978 T N 1.414 115.830 114.554 -0.230 0.000 2.976 978 T HA 0.032 4.381 4.350 -0.001 0.000 0.257 978 T C 1.681 176.339 174.700 -0.071 0.000 1.051 978 T CA 1.467 63.505 62.100 -0.103 0.000 1.141 978 T CB -0.091 68.722 68.868 -0.091 0.000 0.881 978 T HN 0.684 nan 8.240 nan 0.000 0.461 979 S N 0.686 116.309 115.700 -0.129 0.000 2.881 979 S HA 0.154 4.624 4.470 -0.001 0.000 0.228 979 S C 1.125 175.713 174.600 -0.021 0.000 0.965 979 S CA 0.102 58.229 58.200 -0.123 0.000 0.998 979 S CB -0.192 62.923 63.200 -0.143 0.000 0.795 979 S HN 0.313 nan 8.310 nan 0.000 0.518 980 L N -0.777 120.451 121.223 0.008 0.000 3.048 980 L HA 0.580 4.920 4.340 -0.001 0.000 0.278 980 L C 2.018 178.934 176.870 0.076 0.000 1.057 980 L CA 0.876 55.742 54.840 0.044 0.000 1.073 980 L CB -0.654 41.412 42.059 0.012 0.000 1.802 980 L HN 0.171 nan 8.230 nan 0.000 0.562 981 A N -0.128 122.728 122.820 0.061 0.000 2.070 981 A HA -0.047 4.272 4.320 -0.001 0.000 0.220 981 A C 1.394 179.067 177.584 0.150 0.000 1.159 981 A CA 1.055 53.142 52.037 0.084 0.000 0.656 981 A CB -0.730 18.306 19.000 0.060 0.000 0.800 981 A HN 0.335 nan 8.150 nan 0.000 0.453 982 F N -0.944 118.993 119.950 -0.023 0.000 2.050 982 F HA 0.189 4.715 4.527 -0.001 0.000 0.189 982 F C 1.958 177.756 175.800 -0.004 0.000 0.734 982 F CA 0.585 58.578 58.000 -0.011 0.000 1.132 982 F CB -0.536 38.459 39.000 -0.009 0.000 2.174 982 F HN 0.175 nan 8.300 nan 0.000 0.634 983 I N -0.874 119.840 120.570 0.239 0.000 4.684 983 I HA -0.509 3.660 4.170 -0.001 0.000 0.055 983 I C 1.856 177.999 176.117 0.042 0.000 0.626 983 I CA 2.270 63.643 61.300 0.121 0.000 0.667 983 I CB -1.540 36.528 38.000 0.113 0.000 0.627 983 I HN 0.463 nan 8.210 nan 0.000 0.164 984 L N -0.417 120.829 121.223 0.038 0.000 2.376 984 L HA 0.141 4.481 4.340 -0.001 0.000 0.219 984 L C 2.320 179.174 176.870 -0.028 0.000 1.133 984 L CA 1.375 56.222 54.840 0.010 0.000 0.816 984 L CB -1.018 41.056 42.059 0.026 0.000 0.933 984 L HN 0.467 nan 8.230 nan 0.000 0.449 985 G N 0.239 109.005 108.800 -0.057 0.000 2.572 985 G HA2 0.023 3.982 3.960 -0.001 0.000 0.216 985 G HA3 0.023 3.982 3.960 -0.001 0.000 0.216 985 G C 1.273 176.065 174.900 -0.181 0.000 1.133 985 G CA 0.748 45.772 45.100 -0.128 0.000 0.791 985 G HN 0.281 nan 8.290 nan 0.000 0.538 986 V N 0.253 120.073 119.914 -0.157 0.000 3.578 986 V HA 0.204 4.324 4.120 -0.001 0.000 0.290 986 V C 2.324 178.374 176.094 -0.073 0.000 1.376 986 V CA 0.213 62.429 62.300 -0.140 0.000 1.083 986 V CB 0.146 31.898 31.823 -0.118 0.000 0.911 986 V HN 0.289 nan 8.190 nan 0.000 0.433 987 M N 0.623 120.193 119.600 -0.051 0.000 2.229 987 M HA -0.037 4.443 4.480 -0.001 0.000 0.264 987 M C -0.447 175.826 176.300 -0.044 0.000 1.063 987 M CA 1.977 57.259 55.300 -0.029 0.000 1.114 987 M CB -0.956 31.637 32.600 -0.012 0.000 1.387 987 M HN 0.267 nan 8.290 nan 0.000 0.420 988 P HA -0.114 nan 4.420 nan 0.000 0.226 988 P C 0.855 178.100 177.300 -0.091 0.000 1.146 988 P CA 1.094 64.145 63.100 -0.081 0.000 0.773 988 P CB -0.183 31.455 31.700 -0.104 0.000 0.772 989 L N -3.999 117.169 121.223 -0.092 0.000 2.500 989 L HA 0.116 4.456 4.340 -0.001 0.000 0.219 989 L C 2.276 179.120 176.870 -0.044 0.000 1.057 989 L CA 0.096 54.878 54.840 -0.096 0.000 0.854 989 L CB -1.638 40.329 42.059 -0.153 0.000 1.078 989 L HN -0.200 nan 8.230 nan 0.000 0.480 990 V N 0.525 120.427 119.914 -0.021 0.000 2.282 990 V HA -0.206 3.913 4.120 -0.001 0.000 0.249 990 V C 1.668 177.772 176.094 0.016 0.000 1.057 990 V CA 2.041 64.348 62.300 0.013 0.000 1.032 990 V CB -0.753 31.086 31.823 0.026 0.000 0.645 990 V HN 0.558 nan 8.190 nan 0.000 0.447 991 I N -3.357 117.217 120.570 0.005 0.000 3.420 991 I HA 0.649 4.818 4.170 -0.001 0.000 0.154 991 I C 1.754 177.866 176.117 -0.009 0.000 0.455 991 I CA 0.292 61.597 61.300 0.008 0.000 2.981 991 I CB 0.012 38.022 38.000 0.017 0.000 1.407 991 I HN 0.081 nan 8.210 nan 0.000 0.504 992 S N -0.410 115.286 115.700 -0.007 0.000 2.194 992 S HA -0.216 4.254 4.470 -0.001 0.000 0.225 992 S C 0.394 174.982 174.600 -0.019 0.000 1.176 992 S CA 2.053 60.242 58.200 -0.017 0.000 1.694 992 S CB -1.722 61.457 63.200 -0.035 0.000 2.249 992 S HN 1.394 nan 8.310 nan 0.000 0.601 993 T N -2.208 112.335 114.554 -0.018 0.000 3.032 993 T HA 0.658 5.008 4.350 -0.001 0.000 0.312 993 T C 0.289 174.995 174.700 0.010 0.000 1.078 993 T CA -0.045 62.047 62.100 -0.015 0.000 1.028 993 T CB 1.488 70.325 68.868 -0.053 0.000 1.091 993 T HN 0.694 nan 8.240 nan 0.000 0.457 994 G N 0.168 108.991 108.800 0.038 0.000 2.989 994 G HA2 0.501 4.461 3.960 -0.001 0.000 0.221 994 G HA3 0.501 4.461 3.960 -0.001 0.000 0.221 994 G C 0.956 175.923 174.900 0.113 0.000 1.050 994 G CA 0.421 45.561 45.100 0.066 0.000 0.913 994 G HN 0.962 nan 8.290 nan 0.000 0.587 995 A N 1.189 124.087 122.820 0.131 0.000 1.858 995 A HA 0.430 4.750 4.320 -0.001 0.000 0.215 995 A C 2.536 180.269 177.584 0.248 0.000 1.320 995 A CA 1.923 54.123 52.037 0.272 0.000 0.601 995 A CB -1.180 18.018 19.000 0.330 0.000 0.976 995 A HN 0.532 nan 8.150 nan 0.000 0.470 996 G N -0.613 108.106 108.800 -0.135 0.000 2.422 996 G HA2 0.046 4.006 3.960 -0.001 0.000 0.218 996 G HA3 0.046 4.006 3.960 -0.001 0.000 0.218 996 G C 1.002 175.788 174.900 -0.190 0.000 1.140 996 G CA 1.384 46.119 45.100 -0.608 0.000 0.775 996 G HN 1.083 nan 8.290 nan 0.000 0.545 997 S N 0.105 115.754 115.700 -0.085 0.000 2.497 997 S HA 0.512 4.981 4.470 -0.001 0.000 0.176 997 S C 1.234 175.872 174.600 0.064 0.000 1.445 997 S CA 0.086 58.288 58.200 0.004 0.000 1.092 997 S CB 0.998 64.169 63.200 -0.049 0.000 1.216 997 S HN 0.233 nan 8.310 nan 0.000 0.486 998 G N 1.131 109.998 108.800 0.112 0.000 2.744 998 G HA2 0.240 4.199 3.960 -0.001 0.000 0.211 998 G HA3 0.240 4.199 3.960 -0.001 0.000 0.211 998 G C 1.118 176.081 174.900 0.106 0.000 1.143 998 G CA 0.336 45.504 45.100 0.112 0.000 0.788 998 G HN 0.840 nan 8.290 nan 0.000 0.534 999 A N -0.119 122.772 122.820 0.118 0.000 2.095 999 A HA 0.182 4.502 4.320 -0.001 0.000 0.212 999 A C 2.112 179.813 177.584 0.196 0.000 1.162 999 A CA 0.687 52.767 52.037 0.072 0.000 0.753 999 A CB -0.077 18.845 19.000 -0.130 0.000 0.840 999 A HN 0.354 nan 8.150 nan 0.000 0.468 1000 Q N 0.010 119.924 119.800 0.190 0.000 2.291 1000 Q HA -0.138 4.202 4.340 -0.001 0.000 0.205 1000 Q C 1.315 177.332 176.000 0.028 0.000 0.970 1000 Q CA 1.080 56.901 55.803 0.030 0.000 0.876 1000 Q CB -0.104 28.575 28.738 -0.099 0.000 0.935 1000 Q HN 0.608 nan 8.270 nan 0.000 0.455 1001 N N 0.836 119.570 118.700 0.058 0.000 2.080 1001 N HA -0.108 4.631 4.740 -0.001 0.000 0.189 1001 N C 1.482 177.042 175.510 0.085 0.000 1.036 1001 N CA 1.456 54.542 53.050 0.059 0.000 0.846 1001 N CB -0.339 38.184 38.487 0.060 0.000 1.015 1001 N HN 0.192 nan 8.380 nan 0.000 0.423 1002 A N -0.046 122.840 122.820 0.110 0.000 2.168 1002 A HA 0.053 4.373 4.320 -0.001 0.000 0.215 1002 A C 2.216 179.940 177.584 0.233 0.000 1.152 1002 A CA 0.695 52.825 52.037 0.154 0.000 0.716 1002 A CB -0.260 18.848 19.000 0.179 0.000 0.794 1002 A HN 0.163 nan 8.150 nan 0.000 0.465 1003 V N -1.222 118.804 119.914 0.188 0.000 2.949 1003 V HA 0.115 4.235 4.120 -0.001 0.000 0.245 1003 V C 2.287 178.471 176.094 0.149 0.000 1.086 1003 V CA 1.593 64.024 62.300 0.218 0.000 1.097 1003 V CB 0.015 31.942 31.823 0.172 0.000 0.762 1003 V HN 0.485 nan 8.190 nan 0.000 0.470 1004 G N -0.635 108.214 108.800 0.082 0.000 2.403 1004 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.216 1004 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.216 1004 G C 1.571 176.532 174.900 0.101 0.000 1.154 1004 G CA 1.404 46.534 45.100 0.050 0.000 0.784 1004 G HN 0.461 nan 8.290 nan 0.000 0.538 1005 T N 1.184 115.816 114.554 0.130 0.000 2.746 1005 T HA -0.059 4.291 4.350 -0.001 0.000 0.267 1005 T C 2.515 177.361 174.700 0.244 0.000 1.039 1005 T CA 1.402 63.595 62.100 0.155 0.000 1.142 1005 T CB -0.615 68.327 68.868 0.124 0.000 0.866 1005 T HN 0.339 nan 8.240 nan 0.000 0.444 1006 G N 0.955 109.964 108.800 0.348 0.000 2.475 1006 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.220 1006 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.220 1006 G C 1.586 176.640 174.900 0.257 0.000 1.125 1006 G CA 1.128 46.502 45.100 0.458 0.000 0.755 1006 G HN 0.458 nan 8.290 nan 0.000 0.565 1007 V N 1.622 121.661 119.914 0.208 0.000 2.278 1007 V HA -0.086 4.034 4.120 -0.001 0.000 0.238 1007 V C 2.760 178.968 176.094 0.191 0.000 1.039 1007 V CA 2.086 64.506 62.300 0.199 0.000 1.017 1007 V CB -0.619 31.313 31.823 0.183 0.000 0.657 1007 V HN 0.571 nan 8.190 nan 0.000 0.462 1008 M N 1.370 121.067 119.600 0.161 0.000 2.159 1008 M HA 0.070 4.549 4.480 -0.001 0.000 0.263 1008 M C 1.992 178.365 176.300 0.122 0.000 1.063 1008 M CA 2.478 57.861 55.300 0.139 0.000 1.110 1008 M CB -1.178 31.483 32.600 0.102 0.000 1.374 1008 M HN 0.190 nan 8.290 nan 0.000 0.411 1009 G N 0.382 109.263 108.800 0.136 0.000 2.433 1009 G HA2 -0.064 3.896 3.960 -0.001 0.000 0.216 1009 G HA3 -0.064 3.896 3.960 -0.001 0.000 0.216 1009 G C 1.487 176.462 174.900 0.126 0.000 1.186 1009 G CA 0.658 45.837 45.100 0.131 0.000 0.779 1009 G HN 0.639 nan 8.290 nan 0.000 0.543 1010 G N -0.612 108.278 108.800 0.151 0.000 2.776 1010 G HA2 0.095 4.054 3.960 -0.001 0.000 0.209 1010 G HA3 0.095 4.054 3.960 -0.001 0.000 0.209 1010 G C 1.436 176.381 174.900 0.075 0.000 1.145 1010 G CA 0.438 45.604 45.100 0.110 0.000 0.791 1010 G HN 0.289 nan 8.290 nan 0.000 0.530 1011 M N 0.369 120.020 119.600 0.085 0.000 2.858 1011 M HA 0.089 4.569 4.480 -0.001 0.000 0.255 1011 M C 2.782 179.101 176.300 0.033 0.000 1.336 1011 M CA 0.640 55.976 55.300 0.060 0.000 1.220 1011 M CB -0.091 32.582 32.600 0.121 0.000 1.252 1011 M HN 0.157 nan 8.290 nan 0.000 0.538 1012 V N -1.684 118.260 119.914 0.050 0.000 2.453 1012 V HA -0.221 3.898 4.120 -0.001 0.000 0.252 1012 V C 2.177 178.283 176.094 0.020 0.000 1.068 1012 V CA 2.401 64.724 62.300 0.038 0.000 1.070 1012 V CB -2.183 29.668 31.823 0.047 0.000 0.664 1012 V HN 0.551 nan 8.190 nan 0.000 0.461 1013 T N 0.406 114.971 114.554 0.019 0.000 2.613 1013 T HA -0.031 4.319 4.350 -0.001 0.000 0.248 1013 T C 2.075 176.754 174.700 -0.035 0.000 1.107 1013 T CA 2.695 64.798 62.100 0.005 0.000 1.238 1013 T CB -0.756 68.121 68.868 0.014 0.000 0.899 1013 T HN 1.042 nan 8.240 nan 0.000 0.400 1014 A N 0.772 123.570 122.820 -0.037 0.000 2.039 1014 A HA -0.282 4.037 4.320 -0.001 0.000 0.228 1014 A C 2.502 180.020 177.584 -0.110 0.000 1.379 1014 A CA 3.355 55.348 52.037 -0.073 0.000 0.704 1014 A CB -1.959 17.002 19.000 -0.065 0.000 0.831 1014 A HN 0.739 nan 8.150 nan 0.000 0.514 1015 T N -1.120 113.377 114.554 -0.095 0.000 2.612 1015 T HA -0.023 4.327 4.350 -0.001 0.000 0.251 1015 T C 1.916 176.513 174.700 -0.171 0.000 1.090 1015 T CA 1.660 63.692 62.100 -0.112 0.000 1.198 1015 T CB -0.702 68.127 68.868 -0.064 0.000 0.878 1015 T HN 0.195 nan 8.240 nan 0.000 0.401 1016 V N 1.177 120.999 119.914 -0.152 0.000 2.323 1016 V HA -0.006 4.113 4.120 -0.001 0.000 0.244 1016 V C 2.370 178.163 176.094 -0.502 0.000 1.041 1016 V CA 1.289 63.427 62.300 -0.271 0.000 1.025 1016 V CB -0.666 31.120 31.823 -0.062 0.000 0.656 1016 V HN 0.276 nan 8.190 nan 0.000 0.451 1017 L N 0.200 121.311 121.223 -0.187 0.000 2.551 1017 L HA 0.167 4.506 4.340 -0.001 0.000 0.228 1017 L C 1.651 178.452 176.870 -0.114 0.000 1.153 1017 L CA 1.431 56.265 54.840 -0.011 0.000 0.851 1017 L CB -0.504 41.616 42.059 0.103 0.000 0.959 1017 L HN 0.309 nan 8.230 nan 0.000 0.451 1018 A N -1.917 120.766 122.820 -0.229 0.000 2.676 1018 A HA 0.374 4.694 4.320 -0.001 0.000 0.297 1018 A C 1.152 178.568 177.584 -0.280 0.000 1.132 1018 A CA -0.084 51.818 52.037 -0.225 0.000 0.972 1018 A CB -0.033 18.868 19.000 -0.165 0.000 1.197 1018 A HN 0.155 nan 8.150 nan 0.000 0.524 1019 I N -2.065 118.276 120.570 -0.383 0.000 4.197 1019 I HA 0.280 4.450 4.170 -0.001 0.000 0.307 1019 I C 1.001 177.152 176.117 0.058 0.000 1.236 1019 I CA 0.724 61.903 61.300 -0.203 0.000 1.321 1019 I CB 0.275 38.177 38.000 -0.163 0.000 1.309 1019 I HN 0.328 nan 8.210 nan 0.000 0.450 1020 F N -1.980 117.997 119.950 0.044 0.000 2.778 1020 F HA 0.484 5.011 4.527 -0.001 0.000 0.314 1020 F C 1.012 176.699 175.800 -0.189 0.000 1.073 1020 F CA -0.902 57.064 58.000 -0.057 0.000 1.218 1020 F CB -1.278 37.595 39.000 -0.211 0.000 1.037 1020 F HN -0.193 nan 8.300 nan 0.000 0.594 1021 F N 1.643 121.587 119.950 -0.009 0.000 2.072 1021 F HA 0.278 4.804 4.527 -0.001 0.000 0.233 1021 F C 2.012 177.438 175.800 -0.624 0.000 0.907 1021 F CA -0.537 57.338 58.000 -0.207 0.000 1.162 1021 F CB 0.060 38.976 39.000 -0.139 0.000 1.966 1021 F HN -0.151 nan 8.300 nan 0.000 0.579 1022 V N -0.986 118.632 119.914 -0.493 0.000 2.273 1022 V HA -0.253 3.867 4.120 -0.001 0.000 0.166 1022 V C -1.876 173.625 176.094 -0.989 0.000 0.806 1022 V CA 0.251 61.986 62.300 -0.943 0.000 1.028 1022 V CB -2.324 29.220 31.823 -0.465 0.000 0.671 1022 V HN 0.504 nan 8.190 nan 0.000 0.509 1023 P HA 0.211 nan 4.420 nan 0.000 0.272 1023 P C -0.604 176.512 177.300 -0.308 0.000 1.542 1023 P CA 0.903 63.751 63.100 -0.421 0.000 0.846 1023 P CB -0.425 30.942 31.700 -0.555 0.000 1.782 1024 V N 0.556 120.267 119.914 -0.339 0.000 2.482 1024 V HA 0.393 4.512 4.120 -0.001 0.000 0.295 1024 V C 0.114 176.022 176.094 -0.310 0.000 1.026 1024 V CA -0.517 61.525 62.300 -0.429 0.000 0.856 1024 V CB -0.321 31.188 31.823 -0.524 0.000 1.001 1024 V HN 0.353 nan 8.190 nan 0.000 0.424 1025 F N 4.306 124.328 119.950 0.119 0.000 2.748 1025 F HA -0.211 4.316 4.527 -0.001 0.000 0.370 1025 F C 0.408 176.401 175.800 0.323 0.000 0.620 1025 F CA 0.793 58.904 58.000 0.186 0.000 1.233 1025 F CB -1.780 37.316 39.000 0.160 0.000 1.708 1025 F HN 0.513 nan 8.300 nan 0.000 0.298 1026 F N 0.339 120.311 119.950 0.038 0.000 2.819 1026 F HA 0.395 4.921 4.527 -0.001 0.000 0.294 1026 F C 1.450 177.236 175.800 -0.024 0.000 1.166 1026 F CA -0.023 57.980 58.000 0.004 0.000 1.374 1026 F CB -0.305 38.660 39.000 -0.058 0.000 0.956 1026 F HN 0.016 nan 8.300 nan 0.000 0.509 1027 V N -4.323 115.677 119.914 0.144 0.000 3.058 1027 V HA 0.141 4.260 4.120 -0.001 0.000 0.233 1027 V C 1.131 177.240 176.094 0.024 0.000 1.255 1027 V CA 0.367 62.705 62.300 0.062 0.000 1.267 1027 V CB -0.045 31.787 31.823 0.015 0.000 1.049 1027 V HN -0.130 nan 8.190 nan 0.000 0.486 1028 V N 0.388 120.326 119.914 0.040 0.000 3.647 1028 V HA 0.267 4.386 4.120 -0.001 0.000 0.279 1028 V C 1.710 177.758 176.094 -0.076 0.000 1.314 1028 V CA 1.088 63.366 62.300 -0.036 0.000 1.125 1028 V CB 0.298 32.148 31.823 0.045 0.000 0.907 1028 V HN 0.406 nan 8.190 nan 0.000 0.434 1029 V N -0.437 119.476 119.914 -0.002 0.000 3.134 1029 V HA 0.148 4.268 4.120 -0.001 0.000 0.222 1029 V C 2.190 178.284 176.094 0.000 0.000 1.247 1029 V CA 0.650 62.971 62.300 0.034 0.000 1.281 1029 V CB -0.077 31.768 31.823 0.037 0.000 1.169 1029 V HN 0.305 nan 8.190 nan 0.000 0.512 1030 R N 1.013 121.492 120.500 -0.035 0.000 2.115 1030 R HA -0.019 4.321 4.340 -0.001 0.000 0.226 1030 R C 1.339 177.634 176.300 -0.007 0.000 1.100 1030 R CA 1.190 57.266 56.100 -0.041 0.000 0.980 1030 R CB 0.204 30.471 30.300 -0.055 0.000 0.875 1030 R HN 0.554 nan 8.270 nan 0.000 0.445 1031 R N -1.305 119.188 120.500 -0.012 0.000 2.668 1031 R HA 0.253 4.593 4.340 -0.001 0.000 0.435 1031 R C 0.863 177.130 176.300 -0.055 0.000 1.059 1031 R CA -0.326 55.759 56.100 -0.024 0.000 1.073 1031 R CB 0.364 30.661 30.300 -0.005 0.000 1.401 1031 R HN -0.022 nan 8.270 nan 0.000 0.590 1032 R N 0.451 120.848 120.500 -0.173 0.000 2.040 1032 R HA 0.251 4.590 4.340 -0.001 0.000 0.209 1032 R C 0.114 176.206 176.300 -0.347 0.000 1.281 1032 R CA 0.608 56.491 56.100 -0.361 0.000 1.064 1032 R CB 0.115 29.988 30.300 -0.711 0.000 0.950 1032 R HN 0.187 nan 8.270 nan 0.000 0.462 1033 F N -1.563 118.409 119.950 0.037 0.000 2.283 1033 F HA 0.386 4.913 4.527 -0.001 0.000 0.190 1033 F C 1.392 177.198 175.800 0.010 0.000 1.255 1033 F CA -0.303 57.711 58.000 0.024 0.000 1.215 1033 F CB -0.756 38.255 39.000 0.019 0.000 1.703 1033 F HN 0.066 nan 8.300 nan 0.000 0.386 1034 S N -0.163 115.767 115.700 0.384 0.000 3.270 1034 S HA -0.241 4.228 4.470 -0.001 0.000 0.293 1034 S C 0.937 175.604 174.600 0.112 0.000 1.278 1034 S CA 1.652 59.952 58.200 0.167 0.000 1.038 1034 S CB -0.897 62.362 63.200 0.098 0.000 1.218 1034 S HN 0.938 nan 8.310 nan 0.000 0.659 1035 R N -0.413 120.175 120.500 0.147 0.000 4.137 1035 R HA 0.273 4.613 4.340 -0.001 0.000 0.082 1035 R C 0.234 176.597 176.300 0.106 0.000 0.716 1035 R CA 0.284 56.442 56.100 0.097 0.000 1.733 1035 R CB 0.052 30.398 30.300 0.076 0.000 1.564 1035 R HN 0.558 nan 8.270 nan 0.000 0.427 1036 K N 0.000 120.503 120.400 0.171 0.000 2.780 1036 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 1036 K CA 0.000 56.385 56.287 0.163 0.000 0.838 1036 K CB 0.000 32.566 32.500 0.110 0.000 1.064 1036 K HN 0.000 nan 8.250 nan 0.000 0.543