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 1t9t_1_A DATA FIRST_RESID 7 DATA SEQUENCE DRPIFAWVIA IIIMLAGGLA ILKLPVAQYP TIAPPAVTIS ASYPGADAKT DATA SEQUENCE VQDTVTQVIE QNMNGIDNLM YMSSNSDSTG TVQITLTFES GTDADIAQVQ DATA SEQUENCE VQAKLQLAMP LLPQEVQQQG VSVEKSSSSF LMVVGVINTD GTMTQEDISD DATA SEQUENCE YVAANMKDAI SRTSGVGDVQ LFGSQYAMRI WMNPNELNKF QLTPVDVITA DATA SEQUENCE IKAQNAQVAA GQLGGTPPVK GQQLNASIIA QTRLTSTEEF GKILLKVNQD DATA SEQUENCE GSRVLLRDVA KIELGGENYD IIAEFNGQPA SGLGIKLATG ANALDTAAAI DATA SEQUENCE RAELAKMEPF FPSGLKIVYP YDTTPFVKIS IHEVVKTLVE AIILVFLVMY DATA SEQUENCE LFLQNFRATL IPTIAVPVVL LGTFAVLAAF GFSINTLTMF GMVLAIGLLV DATA SEQUENCE DDAIVVVENV ERVMAEEGLP PKEATRKSMG QIQGALVGIA MVLSAVFVPM DATA SEQUENCE AFFGGSTGAI YRQXSITIVS AMALSVLVAL ILTPALCATM LKXXXXXXXX DATA SEQUENCE XXXXXXFGWF NRMFEKSTHH YTDSVGGILR STGRYLVLYL IIVVGMAYLF DATA SEQUENCE VRLPSSFLPD EDQGVFMTMV QLPAGATQER TQKVLNEVTH YYLTKEKNNV DATA SEQUENCE ESVFAVNGFG FAGRGQNTGI AFVSLKDWAD RPGEENKVEA ITMRATRAFS DATA SEQUENCE QIKDAMVFAF NLPAIVELGT ATGFDFELID QAGLGHEKLT QARNQLLAEA DATA SEQUENCE AKHPDMLTSV RPNGLEDTPQ FKIDIDQEKA QALGVSINDI NTTLGAAWGG DATA SEQUENCE SYVNDFIDRG RVKKVYVMSE AKYRMLPDDI GDWYVRAADG QMVPFSAFSS DATA SEQUENCE SRWEYGSPRL ERYNGLPSME ILGQAAPGKS TGEAMELMEQ LASKLPTGVG DATA SEQUENCE YDWTGXSYQE RLSGNQAPSL YAISLIVVFL CLAALYESWS IPFSVMLVVP DATA SEQUENCE LGVIGALLAA TFRGLTNDVY FQVGLLTTIG LSAKNAILIV EFAKDLMDKE DATA SEQUENCE GKGLIEATLD AVRMRLRPIL MTSLAFILGV MPLVISTGAG SGAQNAVGTG DATA SEQUENCE VMGGMVTATV LAIFFVPVFF VVVRRRFSRK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 D HA 0.000 nan 4.640 nan 0.000 0.175 7 D C 0.000 176.267 176.300 -0.054 0.000 2.045 7 D CA 0.000 53.990 54.000 -0.017 0.000 0.868 7 D CB 0.000 40.799 40.800 -0.001 0.000 0.688 8 R N 0.809 121.259 120.500 -0.083 0.000 2.562 8 R HA 0.537 4.876 4.340 -0.000 0.000 0.298 8 R C -1.907 174.318 176.300 -0.125 0.000 0.961 8 R CA -1.494 54.503 56.100 -0.172 0.000 0.881 8 R CB 2.271 32.355 30.300 -0.361 0.000 1.159 8 R HN 0.149 nan 8.270 nan 0.000 0.450 9 P HA -0.116 nan 4.420 nan 0.000 0.203 9 P C 1.376 178.657 177.300 -0.032 0.000 1.202 9 P CA 0.787 63.823 63.100 -0.106 0.000 0.917 9 P CB -0.133 31.433 31.700 -0.224 0.000 0.750 10 I N -0.859 119.665 120.570 -0.077 0.000 2.322 10 I HA -0.341 3.829 4.170 -0.000 0.000 0.235 10 I C 2.534 178.855 176.117 0.340 0.000 0.967 10 I CA 1.516 62.883 61.300 0.111 0.000 1.260 10 I CB -2.686 35.389 38.000 0.124 0.000 0.968 10 I HN -0.026 nan 8.210 nan 0.000 0.398 11 F N 1.353 121.346 119.950 0.072 0.000 2.120 11 F HA -0.217 4.309 4.527 -0.000 0.000 0.300 11 F C 2.768 178.630 175.800 0.104 0.000 1.095 11 F CA 1.056 59.101 58.000 0.075 0.000 1.249 11 F CB -0.523 38.506 39.000 0.049 0.000 0.995 11 F HN 0.320 nan 8.300 nan 0.000 0.480 12 A N -0.360 122.654 122.820 0.322 0.000 1.898 12 A HA -0.206 4.113 4.320 -0.000 0.000 0.216 12 A C 1.785 179.541 177.584 0.286 0.000 1.181 12 A CA 1.166 53.355 52.037 0.255 0.000 0.620 12 A CB -1.231 17.905 19.000 0.226 0.000 0.819 12 A HN 0.482 nan 8.150 nan 0.000 0.442 13 W N 0.073 121.420 121.300 0.079 0.000 2.363 13 W HA -0.106 4.554 4.660 -0.000 0.000 0.296 13 W C 2.312 178.867 176.519 0.060 0.000 1.212 13 W CA 1.480 58.861 57.345 0.061 0.000 1.260 13 W CB -0.665 28.829 29.460 0.056 0.000 1.131 13 W HN 0.143 nan 8.180 nan 0.000 0.530 14 V N 0.239 120.326 119.914 0.289 0.000 2.407 14 V HA -0.307 3.812 4.120 -0.000 0.000 0.248 14 V C 2.113 178.264 176.094 0.095 0.000 1.055 14 V CA 1.474 63.876 62.300 0.169 0.000 1.049 14 V CB -0.750 31.161 31.823 0.147 0.000 0.662 14 V HN 0.111 nan 8.190 nan 0.000 0.455 15 I N 0.393 121.021 120.570 0.097 0.000 2.286 15 I HA -0.219 3.950 4.170 -0.000 0.000 0.248 15 I C 2.568 178.694 176.117 0.015 0.000 1.115 15 I CA 1.619 62.950 61.300 0.052 0.000 1.392 15 I CB -0.577 37.461 38.000 0.062 0.000 1.065 15 I HN 0.337 nan 8.210 nan 0.000 0.418 16 A N 0.393 123.207 122.820 -0.010 0.000 2.066 16 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 16 A C 2.194 179.728 177.584 -0.083 0.000 1.157 16 A CA 0.978 52.965 52.037 -0.083 0.000 0.670 16 A CB -0.477 18.401 19.000 -0.203 0.000 0.804 16 A HN 0.381 nan 8.150 nan 0.000 0.453 17 I N -0.679 119.866 120.570 -0.042 0.000 2.876 17 I HA -0.091 4.079 4.170 -0.000 0.000 0.264 17 I C 1.953 178.067 176.117 -0.005 0.000 1.204 17 I CA 0.432 61.718 61.300 -0.024 0.000 1.485 17 I CB -0.029 37.985 38.000 0.023 0.000 1.103 17 I HN 0.282 nan 8.210 nan 0.000 0.446 18 I N 0.705 121.277 120.570 0.002 0.000 2.208 18 I HA -0.319 3.851 4.170 -0.000 0.000 0.245 18 I C 2.203 178.320 176.117 -0.000 0.000 1.097 18 I CA 1.713 63.015 61.300 0.003 0.000 1.363 18 I CB -0.164 37.838 38.000 0.004 0.000 1.051 18 I HN 0.147 nan 8.210 nan 0.000 0.413 19 I N -0.362 120.204 120.570 -0.007 0.000 2.761 19 I HA -0.207 3.963 4.170 -0.000 0.000 0.261 19 I C 2.306 178.426 176.117 0.004 0.000 1.198 19 I CA 0.517 61.816 61.300 -0.001 0.000 1.482 19 I CB -0.212 37.780 38.000 -0.013 0.000 1.100 19 I HN 0.229 nan 8.210 nan 0.000 0.445 20 M N 0.395 119.986 119.600 -0.015 0.000 2.175 20 M HA -0.055 4.425 4.480 -0.000 0.000 0.264 20 M C 1.723 178.025 176.300 0.003 0.000 1.063 20 M CA 1.550 56.842 55.300 -0.012 0.000 1.119 20 M CB -0.679 31.902 32.600 -0.031 0.000 1.377 20 M HN 0.156 nan 8.290 nan 0.000 0.415 21 L N -1.344 119.881 121.223 0.003 0.000 2.788 21 L HA 0.296 4.636 4.340 -0.000 0.000 0.151 21 L C 2.151 179.029 176.870 0.013 0.000 1.548 21 L CA 0.142 54.984 54.840 0.004 0.000 2.184 21 L CB -0.916 41.143 42.059 0.001 0.000 2.730 21 L HN 0.280 nan 8.230 nan 0.000 0.588 22 A N 0.320 123.145 122.820 0.008 0.000 1.310 22 A HA -0.368 3.952 4.320 -0.000 0.000 0.360 22 A C 1.908 179.514 177.584 0.036 0.000 3.171 22 A CA 2.657 54.703 52.037 0.015 0.000 1.092 22 A CB -2.519 16.489 19.000 0.013 0.000 1.470 22 A HN 0.953 nan 8.150 nan 0.000 0.722 23 G N -1.813 107.030 108.800 0.071 0.000 2.446 23 G HA2 0.106 4.066 3.960 -0.000 0.000 0.217 23 G HA3 0.106 4.066 3.960 -0.000 0.000 0.217 23 G C 1.750 176.706 174.900 0.094 0.000 1.168 23 G CA 1.812 47.005 45.100 0.155 0.000 0.771 23 G HN 1.707 nan 8.290 nan 0.000 0.551 24 G N 0.570 109.395 108.800 0.042 0.000 2.422 24 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.218 24 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.218 24 G C 1.667 176.529 174.900 -0.063 0.000 1.140 24 G CA 0.794 45.874 45.100 -0.033 0.000 0.775 24 G HN 0.398 nan 8.290 nan 0.000 0.545 25 L N 0.977 122.181 121.223 -0.032 0.000 2.093 25 L HA 0.076 4.416 4.340 -0.000 0.000 0.208 25 L C 2.661 179.502 176.870 -0.049 0.000 1.085 25 L CA 2.336 57.154 54.840 -0.035 0.000 0.755 25 L CB -0.996 41.052 42.059 -0.018 0.000 0.904 25 L HN 0.268 nan 8.230 nan 0.000 0.435 26 A N 0.182 122.977 122.820 -0.042 0.000 1.969 26 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 26 A C 2.196 179.710 177.584 -0.117 0.000 1.169 26 A CA 1.563 53.575 52.037 -0.041 0.000 0.635 26 A CB -0.639 18.379 19.000 0.030 0.000 0.810 26 A HN 0.480 nan 8.150 nan 0.000 0.445 27 I N -1.067 119.362 120.570 -0.235 0.000 2.676 27 I HA -0.082 4.087 4.170 -0.000 0.000 0.259 27 I C 0.993 177.001 176.117 -0.182 0.000 1.194 27 I CA 0.852 61.954 61.300 -0.330 0.000 1.473 27 I CB 0.122 37.797 38.000 -0.543 0.000 1.096 27 I HN 0.181 nan 8.210 nan 0.000 0.443 28 L N 0.234 121.381 121.223 -0.126 0.000 2.737 28 L HA 0.177 4.517 4.340 -0.000 0.000 0.236 28 L C 1.298 178.134 176.870 -0.057 0.000 1.219 28 L CA 0.597 55.389 54.840 -0.081 0.000 1.021 28 L CB -0.430 41.590 42.059 -0.065 0.000 1.291 28 L HN 0.064 nan 8.230 nan 0.000 0.470 29 K N 0.004 120.371 120.400 -0.056 0.000 2.612 29 K HA 0.228 4.548 4.320 -0.000 0.000 0.199 29 K C -0.611 175.976 176.600 -0.022 0.000 1.520 29 K CA -0.018 56.249 56.287 -0.033 0.000 1.039 29 K CB 1.036 33.519 32.500 -0.028 0.000 1.286 29 K HN 0.195 nan 8.250 nan 0.000 0.622 30 L N 0.261 121.468 121.223 -0.026 0.000 2.410 30 L HA 0.708 5.048 4.340 -0.000 0.000 0.270 30 L C -2.796 174.076 176.870 0.003 0.000 0.983 30 L CA -1.781 53.060 54.840 0.001 0.000 0.822 30 L CB 1.675 43.748 42.059 0.024 0.000 1.285 30 L HN -0.194 nan 8.230 nan 0.000 0.409 31 P HA -0.081 nan 4.420 nan 0.000 0.261 31 P C 0.552 177.861 177.300 0.016 0.000 1.158 31 P CA -0.030 63.083 63.100 0.022 0.000 0.758 31 P CB 0.571 32.295 31.700 0.040 0.000 0.763 32 V N 0.230 120.146 119.914 0.003 0.000 3.421 32 V HA 0.340 4.459 4.120 -0.000 0.000 0.316 32 V C 0.994 177.086 176.094 -0.002 0.000 1.347 32 V CA 0.024 62.319 62.300 -0.008 0.000 1.183 32 V CB -0.976 30.834 31.823 -0.023 0.000 1.092 32 V HN 0.558 nan 8.190 nan 0.000 0.433 33 A N 0.194 123.022 122.820 0.013 0.000 2.251 33 A HA 0.519 4.839 4.320 -0.000 0.000 0.278 33 A C 0.792 178.372 177.584 -0.006 0.000 1.206 33 A CA -0.281 51.769 52.037 0.020 0.000 0.822 33 A CB 0.286 19.313 19.000 0.045 0.000 1.187 33 A HN 0.400 nan 8.150 nan 0.000 0.504 34 Q N -1.160 118.645 119.800 0.008 0.000 2.577 34 Q HA 0.110 4.450 4.340 -0.000 0.000 0.183 34 Q C -0.640 175.322 176.000 -0.062 0.000 1.167 34 Q CA 0.181 55.944 55.803 -0.068 0.000 1.234 34 Q CB -0.256 28.522 28.738 0.066 0.000 1.569 34 Q HN 0.603 nan 8.270 nan 0.000 0.656 35 Y N 1.244 121.567 120.300 0.039 0.000 2.993 35 Y HA -0.090 4.460 4.550 -0.000 0.000 0.340 35 Y C -1.585 174.338 175.900 0.037 0.000 1.273 35 Y CA -0.659 57.455 58.100 0.022 0.000 1.545 35 Y CB -0.848 37.624 38.460 0.019 0.000 1.275 35 Y HN 0.337 nan 8.280 nan 0.000 0.617 36 P HA 0.073 nan 4.420 nan 0.000 0.279 36 P C -0.615 176.763 177.300 0.129 0.000 1.252 36 P CA -0.674 62.508 63.100 0.135 0.000 0.811 36 P CB 0.717 32.490 31.700 0.121 0.000 1.035 37 T N 2.693 117.313 114.554 0.110 0.000 2.596 37 T HA -0.047 4.303 4.350 -0.000 0.000 0.252 37 T C 1.359 176.114 174.700 0.090 0.000 1.033 37 T CA 0.829 62.986 62.100 0.094 0.000 1.215 37 T CB -0.701 68.216 68.868 0.082 0.000 1.011 37 T HN 0.226 nan 8.240 nan 0.000 0.498 38 I N 2.575 123.194 120.570 0.082 0.000 3.132 38 I HA 0.284 4.454 4.170 -0.000 0.000 0.255 38 I C 1.639 177.796 176.117 0.066 0.000 1.118 38 I CA 0.021 61.366 61.300 0.075 0.000 1.463 38 I CB -0.601 37.439 38.000 0.067 0.000 1.356 38 I HN 0.595 nan 8.210 nan 0.000 0.463 39 A N 3.518 126.371 122.820 0.055 0.000 2.498 39 A HA 0.317 4.637 4.320 -0.000 0.000 0.239 39 A C -2.172 175.448 177.584 0.060 0.000 1.068 39 A CA -0.765 51.302 52.037 0.050 0.000 0.766 39 A CB -0.990 18.036 19.000 0.043 0.000 1.003 39 A HN 0.138 nan 8.150 nan 0.000 0.497 40 P HA 0.263 nan 4.420 nan 0.000 0.271 40 P C -2.723 174.621 177.300 0.073 0.000 1.220 40 P CA -0.967 62.173 63.100 0.067 0.000 0.768 40 P CB 0.105 31.841 31.700 0.060 0.000 0.848 41 P HA 0.434 nan 4.420 nan 0.000 0.278 41 P C -1.002 176.379 177.300 0.135 0.000 1.238 41 P CA -0.356 62.786 63.100 0.070 0.000 0.794 41 P CB 0.893 32.606 31.700 0.023 0.000 0.955 42 A N 2.050 124.947 122.820 0.128 0.000 2.475 42 A HA 0.653 4.973 4.320 -0.000 0.000 0.301 42 A C -0.873 176.804 177.584 0.155 0.000 1.059 42 A CA -0.621 51.540 52.037 0.207 0.000 0.710 42 A CB 1.237 20.307 19.000 0.116 0.000 1.288 42 A HN 0.295 nan 8.150 nan 0.000 0.408 43 V N 0.790 120.840 119.914 0.226 0.000 2.834 43 V HA 0.773 4.893 4.120 -0.000 0.000 0.313 43 V C 0.068 176.229 176.094 0.112 0.000 1.060 43 V CA -0.331 62.057 62.300 0.146 0.000 0.989 43 V CB 1.911 33.836 31.823 0.170 0.000 1.041 43 V HN 1.032 nan 8.190 nan 0.000 0.459 44 T N 1.513 116.114 114.554 0.078 0.000 2.965 44 T HA 0.615 4.965 4.350 -0.000 0.000 0.306 44 T C -0.547 174.182 174.700 0.049 0.000 0.991 44 T CA -0.361 61.776 62.100 0.062 0.000 1.001 44 T CB 0.690 69.595 68.868 0.063 0.000 0.984 44 T HN 0.380 nan 8.240 nan 0.000 0.446 45 I N 2.554 123.149 120.570 0.042 0.000 2.720 45 I HA 0.505 4.674 4.170 -0.000 0.000 0.287 45 I C 0.350 176.484 176.117 0.029 0.000 1.090 45 I CA -0.468 60.850 61.300 0.030 0.000 1.384 45 I CB 0.922 38.936 38.000 0.023 0.000 1.420 45 I HN 0.860 nan 8.210 nan 0.000 0.575 46 S N 2.952 118.665 115.700 0.021 0.000 2.461 46 S HA 0.693 5.163 4.470 -0.000 0.000 0.245 46 S C -0.703 173.904 174.600 0.011 0.000 1.039 46 S CA -0.888 57.324 58.200 0.020 0.000 1.077 46 S CB 0.989 64.201 63.200 0.020 0.000 1.171 46 S HN 0.884 nan 8.310 nan 0.000 0.433 47 A N 1.682 124.511 122.820 0.015 0.000 2.352 47 A HA 0.981 5.301 4.320 -0.000 0.000 0.299 47 A C 0.045 177.643 177.584 0.024 0.000 1.160 47 A CA -1.017 51.026 52.037 0.009 0.000 0.933 47 A CB 1.633 20.637 19.000 0.006 0.000 1.387 47 A HN 1.411 nan 8.150 nan 0.000 0.487 48 S N -1.110 114.608 115.700 0.030 0.000 2.652 48 S HA 0.396 4.866 4.470 -0.000 0.000 0.273 48 S C -1.864 172.811 174.600 0.126 0.000 1.172 48 S CA -0.319 57.921 58.200 0.067 0.000 1.009 48 S CB 0.460 63.682 63.200 0.037 0.000 1.094 48 S HN 0.618 nan 8.310 nan 0.000 0.471 49 Y N 6.973 127.285 120.300 0.020 0.000 2.700 49 Y HA 0.375 4.925 4.550 -0.000 0.000 0.333 49 Y C -2.224 173.703 175.900 0.045 0.000 1.036 49 Y CA -2.766 55.353 58.100 0.031 0.000 1.287 49 Y CB 0.921 39.398 38.460 0.029 0.000 1.132 49 Y HN 0.440 nan 8.280 nan 0.000 0.510 50 P HA 0.083 nan 4.420 nan 0.000 0.266 50 P C 0.666 178.033 177.300 0.111 0.000 1.215 50 P CA 1.499 64.706 63.100 0.177 0.000 0.763 50 P CB 1.218 33.049 31.700 0.217 0.000 0.806 51 G N 2.849 111.669 108.800 0.033 0.000 2.397 51 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.211 51 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.211 51 G C 0.411 175.242 174.900 -0.115 0.000 1.077 51 G CA 0.012 45.102 45.100 -0.017 0.000 0.649 51 G HN 0.824 nan 8.290 nan 0.000 0.511 52 A N 1.360 124.014 122.820 -0.276 0.000 2.561 52 A HA 0.474 4.794 4.320 -0.000 0.000 0.234 52 A C 0.641 178.137 177.584 -0.147 0.000 1.055 52 A CA 1.349 53.164 52.037 -0.369 0.000 0.756 52 A CB -0.260 18.355 19.000 -0.641 0.000 0.986 52 A HN 1.270 nan 8.150 nan 0.000 0.505 53 D N 0.834 121.166 120.400 -0.114 0.000 2.451 53 D HA 0.533 5.172 4.640 -0.000 0.000 0.259 53 D C 1.129 177.423 176.300 -0.010 0.000 1.201 53 D CA -0.054 53.923 54.000 -0.039 0.000 1.028 53 D CB 0.766 41.550 40.800 -0.028 0.000 1.095 53 D HN 0.431 nan 8.370 nan 0.000 0.539 54 A N -0.082 122.752 122.820 0.024 0.000 1.877 54 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 54 A C 1.989 179.600 177.584 0.045 0.000 1.186 54 A CA 1.516 53.580 52.037 0.044 0.000 0.620 54 A CB -0.772 18.268 19.000 0.066 0.000 0.822 54 A HN 0.480 nan 8.150 nan 0.000 0.443 55 K N -0.400 120.027 120.400 0.045 0.000 2.148 55 K HA -0.034 4.286 4.320 -0.000 0.000 0.204 55 K C 2.050 178.672 176.600 0.036 0.000 1.050 55 K CA 1.749 58.064 56.287 0.047 0.000 0.942 55 K CB -0.698 31.828 32.500 0.043 0.000 0.724 55 K HN 0.516 nan 8.250 nan 0.000 0.446 56 T N 0.417 114.980 114.554 0.015 0.000 2.643 56 T HA -0.135 4.215 4.350 -0.000 0.000 0.264 56 T C 1.886 176.635 174.700 0.080 0.000 1.045 56 T CA 1.803 63.913 62.100 0.016 0.000 1.155 56 T CB -0.437 68.380 68.868 -0.086 0.000 0.863 56 T HN 0.170 nan 8.240 nan 0.000 0.420 57 V N 0.635 120.597 119.914 0.080 0.000 2.594 57 V HA -0.136 3.984 4.120 -0.000 0.000 0.253 57 V C 2.387 178.535 176.094 0.089 0.000 1.069 57 V CA 1.577 63.954 62.300 0.129 0.000 1.082 57 V CB -0.912 30.979 31.823 0.112 0.000 0.680 57 V HN 0.320 nan 8.190 nan 0.000 0.469 58 Q N 2.321 122.160 119.800 0.065 0.000 2.124 58 Q HA -0.223 4.116 4.340 -0.000 0.000 0.202 58 Q C 1.200 177.228 176.000 0.047 0.000 0.977 58 Q CA 2.446 58.279 55.803 0.050 0.000 0.850 58 Q CB -0.079 28.686 28.738 0.045 0.000 0.901 58 Q HN 1.040 nan 8.270 nan 0.000 0.429 59 D N -2.827 117.605 120.400 0.054 0.000 2.582 59 D HA 0.081 4.721 4.640 -0.000 0.000 0.246 59 D C 0.719 177.052 176.300 0.055 0.000 1.334 59 D CA 0.029 54.056 54.000 0.046 0.000 0.805 59 D CB 0.303 41.126 40.800 0.039 0.000 1.087 59 D HN -0.056 nan 8.370 nan 0.000 0.499 60 T N -1.237 113.364 114.554 0.078 0.000 2.999 60 T HA 0.152 4.501 4.350 -0.000 0.000 0.247 60 T C 1.208 175.939 174.700 0.051 0.000 1.012 60 T CA 0.701 62.852 62.100 0.084 0.000 1.048 60 T CB 0.298 69.266 68.868 0.168 0.000 1.020 60 T HN 0.028 nan 8.240 nan 0.000 0.478 61 V N 0.442 120.393 119.914 0.062 0.000 2.870 61 V HA 0.110 4.230 4.120 -0.000 0.000 0.232 61 V C 2.670 178.781 176.094 0.028 0.000 1.161 61 V CA 1.259 63.578 62.300 0.032 0.000 1.204 61 V CB -0.704 31.144 31.823 0.042 0.000 1.003 61 V HN 0.327 nan 8.190 nan 0.000 0.499 62 T N 0.224 114.801 114.554 0.039 0.000 2.635 62 T HA -0.290 4.060 4.350 -0.000 0.000 0.267 62 T C 1.905 176.615 174.700 0.017 0.000 1.040 62 T CA 2.024 64.141 62.100 0.028 0.000 1.156 62 T CB -0.315 68.573 68.868 0.033 0.000 0.863 62 T HN 0.372 nan 8.240 nan 0.000 0.430 63 Q N 0.107 119.919 119.800 0.019 0.000 2.079 63 Q HA -0.060 4.280 4.340 -0.000 0.000 0.200 63 Q C 2.684 178.688 176.000 0.006 0.000 0.974 63 Q CA 1.080 56.890 55.803 0.012 0.000 0.840 63 Q CB -0.452 28.296 28.738 0.016 0.000 0.898 63 Q HN 0.374 nan 8.270 nan 0.000 0.430 64 V N 1.122 121.041 119.914 0.008 0.000 2.295 64 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 64 V C 2.176 178.268 176.094 -0.003 0.000 1.049 64 V CA 1.616 63.917 62.300 0.002 0.000 1.024 64 V CB -0.410 31.413 31.823 0.001 0.000 0.648 64 V HN 0.306 nan 8.190 nan 0.000 0.447 65 I N -0.477 120.091 120.570 -0.002 0.000 2.394 65 I HA -0.190 3.980 4.170 -0.000 0.000 0.251 65 I C 2.438 178.549 176.117 -0.010 0.000 1.136 65 I CA 1.374 62.671 61.300 -0.005 0.000 1.425 65 I CB -0.287 37.712 38.000 -0.002 0.000 1.079 65 I HN 0.363 nan 8.210 nan 0.000 0.425 66 E N 0.568 120.761 120.200 -0.011 0.000 2.158 66 E HA -0.197 4.153 4.350 -0.000 0.000 0.191 66 E C 1.395 177.981 176.600 -0.023 0.000 0.982 66 E CA 0.657 57.044 56.400 -0.021 0.000 0.823 66 E CB 0.016 29.703 29.700 -0.021 0.000 0.766 66 E HN 0.613 nan 8.360 nan 0.000 0.468 67 Q N 0.506 120.297 119.800 -0.016 0.000 2.297 67 Q HA 0.139 4.479 4.340 -0.000 0.000 0.265 67 Q C -0.086 175.907 176.000 -0.013 0.000 0.904 67 Q CA 0.145 55.939 55.803 -0.015 0.000 0.969 67 Q CB -0.120 28.612 28.738 -0.010 0.000 1.115 67 Q HN -0.047 nan 8.270 nan 0.000 0.433 68 N N 0.175 118.866 118.700 -0.014 0.000 2.550 68 N HA 0.151 4.891 4.740 -0.000 0.000 0.277 68 N C -1.109 174.394 175.510 -0.012 0.000 1.595 68 N CA 0.070 53.113 53.050 -0.011 0.000 0.888 68 N CB 0.759 39.242 38.487 -0.008 0.000 1.424 68 N HN 0.120 nan 8.380 nan 0.000 0.501 69 M N 1.351 120.939 119.600 -0.019 0.000 3.114 69 M HA 0.375 4.855 4.480 -0.000 0.000 0.386 69 M C -1.287 174.995 176.300 -0.029 0.000 1.417 69 M CA -0.528 54.758 55.300 -0.023 0.000 0.785 69 M CB -0.590 31.989 32.600 -0.035 0.000 1.413 69 M HN 0.304 nan 8.290 nan 0.000 0.498 70 N N -1.658 117.031 118.700 -0.019 0.000 2.629 70 N HA 0.737 5.477 4.740 -0.000 0.000 0.279 70 N C 0.444 175.949 175.510 -0.008 0.000 1.344 70 N CA 0.067 53.104 53.050 -0.021 0.000 0.789 70 N CB 0.662 39.136 38.487 -0.022 0.000 1.508 70 N HN 0.206 nan 8.380 nan 0.000 0.516 71 G N -0.376 108.419 108.800 -0.008 0.000 2.256 71 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.272 71 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.272 71 G C -0.703 174.204 174.900 0.012 0.000 1.076 71 G CA 0.275 45.376 45.100 0.000 0.000 0.882 71 G HN 0.613 nan 8.290 nan 0.000 0.497 72 I N 0.165 120.745 120.570 0.017 0.000 2.406 72 I HA 0.264 4.434 4.170 -0.000 0.000 0.290 72 I C -0.571 175.584 176.117 0.064 0.000 0.999 72 I CA -1.077 60.254 61.300 0.051 0.000 1.124 72 I CB 1.573 39.614 38.000 0.069 0.000 1.289 72 I HN -0.116 nan 8.210 nan 0.000 0.441 73 D N 6.600 127.048 120.400 0.080 0.000 2.417 73 D HA 0.128 4.768 4.640 -0.000 0.000 0.250 73 D C -0.008 176.381 176.300 0.148 0.000 1.166 73 D CA 0.707 54.754 54.000 0.078 0.000 0.881 73 D CB 0.227 41.058 40.800 0.052 0.000 1.164 73 D HN 0.452 nan 8.370 nan 0.000 0.467 74 N N 0.975 119.741 118.700 0.109 0.000 4.066 74 N HA -0.212 4.528 4.740 -0.000 0.000 0.315 74 N C -1.287 174.278 175.510 0.091 0.000 2.196 74 N CA 0.197 53.333 53.050 0.142 0.000 2.981 74 N CB -0.225 38.396 38.487 0.224 0.000 0.306 74 N HN 0.325 nan 8.380 nan 0.000 0.757 75 L N 2.595 123.764 121.223 -0.089 0.000 3.481 75 L HA 0.147 4.487 4.340 -0.000 0.000 0.267 75 L C 0.394 177.122 176.870 -0.237 0.000 0.972 75 L CA -0.305 54.331 54.840 -0.340 0.000 1.150 75 L CB 1.241 43.082 42.059 -0.364 0.000 1.902 75 L HN 0.667 nan 8.230 nan 0.000 0.561 76 M N 3.496 122.914 119.600 -0.303 0.000 2.276 76 M HA 0.261 4.741 4.480 -0.000 0.000 0.262 76 M C -0.354 175.909 176.300 -0.061 0.000 1.098 76 M CA 1.227 56.438 55.300 -0.148 0.000 1.167 76 M CB -0.002 32.532 32.600 -0.110 0.000 1.337 76 M HN 0.552 nan 8.290 nan 0.000 0.446 77 Y N -1.583 118.608 120.300 -0.182 0.000 2.764 77 Y HA 0.765 5.315 4.550 -0.000 0.000 0.331 77 Y C -1.229 174.471 175.900 -0.333 0.000 1.280 77 Y CA -2.415 55.529 58.100 -0.261 0.000 1.065 77 Y CB 1.117 39.478 38.460 -0.165 0.000 1.319 77 Y HN 0.023 nan 8.280 nan 0.000 0.453 78 M N 2.669 122.147 119.600 -0.203 0.000 2.378 78 M HA 0.744 5.224 4.480 -0.000 0.000 0.289 78 M C -1.612 174.553 176.300 -0.225 0.000 1.136 78 M CA -0.278 54.909 55.300 -0.188 0.000 0.917 78 M CB 2.157 34.632 32.600 -0.209 0.000 1.669 78 M HN 1.024 nan 8.290 nan 0.000 0.461 79 S N 2.278 117.977 115.700 -0.001 0.000 2.709 79 S HA 1.002 5.472 4.470 -0.000 0.000 0.302 79 S C -0.757 173.877 174.600 0.056 0.000 1.127 79 S CA -0.156 58.093 58.200 0.080 0.000 0.905 79 S CB 1.873 65.203 63.200 0.217 0.000 1.151 79 S HN 1.175 nan 8.310 nan 0.000 0.510 80 S N 0.355 116.097 115.700 0.070 0.000 2.552 80 S HA 0.608 5.077 4.470 -0.000 0.000 0.272 80 S C -2.141 172.491 174.600 0.054 0.000 1.150 80 S CA -0.950 57.281 58.200 0.052 0.000 0.849 80 S CB 1.080 64.298 63.200 0.030 0.000 1.113 80 S HN 0.735 nan 8.310 nan 0.000 0.458 81 N N 0.830 119.562 118.700 0.053 0.000 2.292 81 N HA 0.712 5.451 4.740 -0.000 0.000 0.303 81 N C -1.461 174.077 175.510 0.047 0.000 1.140 81 N CA -0.735 52.346 53.050 0.051 0.000 0.788 81 N CB 2.018 40.544 38.487 0.065 0.000 1.361 81 N HN 0.776 nan 8.380 nan 0.000 0.489 82 S N -0.136 115.590 115.700 0.044 0.000 2.381 82 S HA 0.269 4.738 4.470 -0.000 0.000 0.193 82 S C -0.842 173.787 174.600 0.049 0.000 1.287 82 S CA -0.974 57.254 58.200 0.046 0.000 1.199 82 S CB 0.810 64.035 63.200 0.042 0.000 1.214 82 S HN 0.323 nan 8.310 nan 0.000 0.444 83 D N 1.997 122.429 120.400 0.053 0.000 2.384 83 D HA 0.137 4.777 4.640 -0.000 0.000 0.244 83 D C 1.278 177.609 176.300 0.051 0.000 1.251 83 D CA -0.014 54.019 54.000 0.056 0.000 0.961 83 D CB 0.920 41.755 40.800 0.058 0.000 1.116 83 D HN 0.530 nan 8.370 nan 0.000 0.484 84 S N -1.344 114.388 115.700 0.054 0.000 2.561 84 S HA -0.074 4.396 4.470 -0.000 0.000 0.225 84 S C 1.383 176.005 174.600 0.037 0.000 0.977 84 S CA 0.365 58.593 58.200 0.046 0.000 0.926 84 S CB -0.152 63.083 63.200 0.059 0.000 0.769 84 S HN 0.389 nan 8.310 nan 0.000 0.533 85 T N 1.662 116.240 114.554 0.041 0.000 3.160 85 T HA 0.365 4.715 4.350 -0.000 0.000 0.257 85 T C 1.151 175.870 174.700 0.033 0.000 1.147 85 T CA 0.504 62.625 62.100 0.036 0.000 1.064 85 T CB -0.590 68.298 68.868 0.034 0.000 0.949 85 T HN 0.943 nan 8.240 nan 0.000 0.526 86 G N 2.721 111.540 108.800 0.032 0.000 2.401 86 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.283 86 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.283 86 G C 0.016 174.963 174.900 0.079 0.000 1.117 86 G CA -0.070 45.057 45.100 0.045 0.000 1.051 86 G HN 0.804 nan 8.290 nan 0.000 0.510 87 T N -3.467 111.127 114.554 0.068 0.000 2.923 87 T HA 0.791 5.141 4.350 -0.000 0.000 0.311 87 T C -0.607 174.129 174.700 0.059 0.000 1.183 87 T CA -0.307 61.829 62.100 0.060 0.000 1.020 87 T CB 2.798 71.688 68.868 0.037 0.000 1.165 87 T HN 1.721 nan 8.240 nan 0.000 0.482 88 V N 1.140 121.086 119.914 0.054 0.000 2.925 88 V HA 0.862 4.982 4.120 -0.000 0.000 0.311 88 V C -1.972 174.148 176.094 0.043 0.000 1.104 88 V CA -0.579 61.752 62.300 0.050 0.000 0.954 88 V CB 2.074 33.928 31.823 0.052 0.000 1.022 88 V HN 1.262 nan 8.190 nan 0.000 0.427 89 Q N 4.551 124.378 119.800 0.045 0.000 2.371 89 Q HA 0.528 4.868 4.340 -0.000 0.000 0.244 89 Q C -2.251 173.777 176.000 0.048 0.000 0.882 89 Q CA -0.535 55.296 55.803 0.046 0.000 0.866 89 Q CB 1.680 30.451 28.738 0.055 0.000 1.399 89 Q HN 0.756 nan 8.270 nan 0.000 0.432 90 I N 2.403 122.996 120.570 0.039 0.000 2.428 90 I HA 0.394 4.564 4.170 -0.000 0.000 0.296 90 I C -0.011 176.129 176.117 0.038 0.000 0.985 90 I CA -0.082 61.237 61.300 0.032 0.000 1.260 90 I CB 2.171 40.179 38.000 0.013 0.000 1.389 90 I HN 0.516 nan 8.210 nan 0.000 0.484 91 T N 6.993 121.572 114.554 0.041 0.000 2.809 91 T HA 0.535 4.885 4.350 -0.000 0.000 0.296 91 T C -0.367 174.321 174.700 -0.021 0.000 1.015 91 T CA -0.350 61.776 62.100 0.042 0.000 0.954 91 T CB 0.306 69.225 68.868 0.086 0.000 0.950 91 T HN 0.155 nan 8.240 nan 0.000 0.450 92 L N 4.235 125.423 121.223 -0.060 0.000 2.270 92 L HA 0.344 4.684 4.340 -0.000 0.000 0.286 92 L C 0.799 177.458 176.870 -0.352 0.000 1.059 92 L CA -0.200 54.492 54.840 -0.248 0.000 0.839 92 L CB 0.647 42.568 42.059 -0.231 0.000 1.221 92 L HN 0.576 nan 8.230 nan 0.000 0.431 93 T N 2.845 117.082 114.554 -0.529 0.000 2.889 93 T HA 0.553 4.902 4.350 -0.000 0.000 0.291 93 T C -0.137 174.177 174.700 -0.643 0.000 0.995 93 T CA -0.059 61.748 62.100 -0.488 0.000 1.092 93 T CB 0.735 69.161 68.868 -0.737 0.000 0.954 93 T HN 0.040 nan 8.240 nan 0.000 0.506 94 F N 0.205 120.029 119.950 -0.209 0.000 2.671 94 F HA 0.487 5.014 4.527 -0.000 0.000 0.373 94 F C 0.849 176.586 175.800 -0.106 0.000 1.122 94 F CA -1.321 56.594 58.000 -0.141 0.000 1.082 94 F CB 0.769 39.718 39.000 -0.085 0.000 1.399 94 F HN 0.325 nan 8.300 nan 0.000 0.509 95 E N -0.222 120.070 120.200 0.154 0.000 2.391 95 E HA 0.101 4.450 4.350 -0.000 0.000 0.255 95 E C -0.380 176.269 176.600 0.082 0.000 1.187 95 E CA -0.276 56.170 56.400 0.077 0.000 0.941 95 E CB 0.579 30.316 29.700 0.062 0.000 1.010 95 E HN 0.349 nan 8.360 nan 0.000 0.458 96 S N -0.391 115.348 115.700 0.064 0.000 2.531 96 S HA 0.378 4.848 4.470 -0.000 0.000 0.279 96 S C 0.985 175.631 174.600 0.077 0.000 1.305 96 S CA 0.594 58.839 58.200 0.075 0.000 1.058 96 S CB -0.150 63.101 63.200 0.085 0.000 0.899 96 S HN 0.694 nan 8.310 nan 0.000 0.493 97 G N 3.537 112.382 108.800 0.075 0.000 2.148 97 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.254 97 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.254 97 G C 0.221 175.143 174.900 0.037 0.000 0.981 97 G CA 0.376 45.516 45.100 0.067 0.000 0.670 97 G HN 0.862 nan 8.290 nan 0.000 0.528 98 T N 1.206 115.774 114.554 0.025 0.000 2.901 98 T HA 0.386 4.735 4.350 -0.000 0.000 0.301 98 T C 0.223 174.884 174.700 -0.065 0.000 1.012 98 T CA 0.089 62.179 62.100 -0.018 0.000 1.135 98 T CB 0.882 69.743 68.868 -0.012 0.000 0.936 98 T HN 0.231 nan 8.240 nan 0.000 0.539 99 D N 1.970 122.321 120.400 -0.082 0.000 2.412 99 D HA 0.300 4.939 4.640 -0.000 0.000 0.257 99 D C 0.939 177.140 176.300 -0.166 0.000 1.217 99 D CA 0.059 54.005 54.000 -0.091 0.000 0.897 99 D CB 0.701 41.458 40.800 -0.072 0.000 1.132 99 D HN 0.584 nan 8.370 nan 0.000 0.493 100 A N 3.517 126.255 122.820 -0.136 0.000 2.119 100 A HA -0.132 4.187 4.320 -0.000 0.000 0.217 100 A C 1.703 179.203 177.584 -0.141 0.000 1.153 100 A CA 0.841 52.778 52.037 -0.167 0.000 0.692 100 A CB -0.003 18.943 19.000 -0.089 0.000 0.799 100 A HN 0.544 nan 8.150 nan 0.000 0.458 101 D N -0.135 120.205 120.400 -0.100 0.000 2.075 101 D HA -0.137 4.503 4.640 -0.000 0.000 0.196 101 D C 1.802 178.048 176.300 -0.090 0.000 0.985 101 D CA 1.572 55.527 54.000 -0.074 0.000 0.834 101 D CB -0.273 40.498 40.800 -0.049 0.000 0.987 101 D HN 0.437 nan 8.370 nan 0.000 0.452 102 I N 1.261 121.771 120.570 -0.101 0.000 2.286 102 I HA -0.167 4.003 4.170 -0.000 0.000 0.248 102 I C 2.057 178.090 176.117 -0.140 0.000 1.115 102 I CA 1.130 62.372 61.300 -0.097 0.000 1.392 102 I CB -0.198 37.754 38.000 -0.080 0.000 1.065 102 I HN -0.098 nan 8.210 nan 0.000 0.418 103 A N -0.565 122.100 122.820 -0.258 0.000 2.067 103 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 103 A C 2.314 179.740 177.584 -0.263 0.000 1.156 103 A CA 1.251 53.030 52.037 -0.431 0.000 0.683 103 A CB -0.698 17.651 19.000 -1.086 0.000 0.808 103 A HN 0.638 nan 8.150 nan 0.000 0.455 104 Q N 0.018 119.716 119.800 -0.170 0.000 2.167 104 Q HA -0.091 4.249 4.340 -0.000 0.000 0.202 104 Q C 1.591 177.572 176.000 -0.031 0.000 0.970 104 Q CA 1.644 57.403 55.803 -0.072 0.000 0.855 104 Q CB -0.138 28.567 28.738 -0.055 0.000 0.911 104 Q HN 0.488 nan 8.270 nan 0.000 0.438 105 V N 0.576 120.466 119.914 -0.039 0.000 2.344 105 V HA -0.241 3.879 4.120 -0.000 0.000 0.198 105 V C 1.880 177.974 176.094 0.001 0.000 1.042 105 V CA 1.195 63.485 62.300 -0.017 0.000 1.150 105 V CB -0.996 30.815 31.823 -0.020 0.000 0.716 105 V HN 0.435 nan 8.190 nan 0.000 0.472 106 Q N -0.546 119.254 119.800 0.001 0.000 2.689 106 Q HA -0.394 3.946 4.340 -0.000 0.000 0.242 106 Q C 1.977 178.012 176.000 0.058 0.000 1.516 106 Q CA 2.958 58.777 55.803 0.027 0.000 1.021 106 Q CB -1.652 27.103 28.738 0.029 0.000 0.880 106 Q HN 0.492 nan 8.270 nan 0.000 0.589 107 V N 1.262 121.232 119.914 0.095 0.000 3.140 107 V HA -0.197 3.923 4.120 -0.000 0.000 0.269 107 V C 0.965 177.091 176.094 0.053 0.000 1.149 107 V CA 1.992 64.356 62.300 0.107 0.000 1.162 107 V CB -0.494 31.432 31.823 0.171 0.000 0.756 107 V HN 0.506 nan 8.190 nan 0.000 0.523 108 Q N -2.613 117.207 119.800 0.034 0.000 2.391 108 Q HA 0.670 5.010 4.340 -0.000 0.000 0.279 108 Q C -0.054 175.953 176.000 0.011 0.000 1.028 108 Q CA -0.001 55.813 55.803 0.019 0.000 0.836 108 Q CB 1.786 30.534 28.738 0.016 0.000 1.414 108 Q HN 0.340 nan 8.270 nan 0.000 0.397 109 A N 0.940 123.764 122.820 0.006 0.000 3.930 109 A HA -0.270 4.050 4.320 -0.000 0.000 0.267 109 A C 0.764 178.350 177.584 0.004 0.000 0.971 109 A CA 1.829 53.868 52.037 0.003 0.000 1.197 109 A CB -1.845 17.156 19.000 0.002 0.000 1.073 109 A HN 0.571 nan 8.150 nan 0.000 0.871 110 K N -0.692 119.713 120.400 0.008 0.000 2.981 110 K HA 0.718 5.037 4.320 -0.000 0.000 0.213 110 K C 0.181 176.784 176.600 0.005 0.000 1.154 110 K CA 0.526 56.817 56.287 0.008 0.000 1.111 110 K CB -0.182 32.327 32.500 0.014 0.000 0.975 110 K HN 0.780 nan 8.250 nan 0.000 0.462 111 L N -1.709 119.516 121.223 0.003 0.000 3.055 111 L HA 0.251 4.591 4.340 -0.000 0.000 0.222 111 L C 0.922 177.790 176.870 -0.004 0.000 1.784 111 L CA 0.048 54.888 54.840 0.000 0.000 2.363 111 L CB 0.017 42.078 42.059 0.003 0.000 2.232 111 L HN 0.289 nan 8.230 nan 0.000 0.645 112 Q N -0.375 119.421 119.800 -0.006 0.000 1.813 112 Q HA -0.314 4.026 4.340 -0.000 0.000 0.168 112 Q C 0.960 176.955 176.000 -0.007 0.000 2.885 112 Q CA 2.793 58.592 55.803 -0.007 0.000 0.428 112 Q CB -1.544 27.192 28.738 -0.004 0.000 0.435 112 Q HN 0.568 nan 8.270 nan 0.000 0.422 113 L N -1.542 119.678 121.223 -0.005 0.000 3.301 113 L HA 0.192 4.532 4.340 -0.000 0.000 0.269 113 L C 0.918 177.784 176.870 -0.007 0.000 1.240 113 L CA 0.709 55.545 54.840 -0.006 0.000 1.038 113 L CB -0.450 41.607 42.059 -0.004 0.000 1.406 113 L HN 0.379 nan 8.230 nan 0.000 0.409 114 A N -2.141 120.673 122.820 -0.009 0.000 2.431 114 A HA 0.112 4.432 4.320 -0.000 0.000 0.149 114 A C 1.711 179.285 177.584 -0.016 0.000 1.903 114 A CA -0.250 51.781 52.037 -0.011 0.000 1.329 114 A CB -0.233 18.762 19.000 -0.009 0.000 1.467 114 A HN 0.133 nan 8.150 nan 0.000 0.352 115 M N 0.415 120.005 119.600 -0.018 0.000 2.117 115 M HA -0.044 4.436 4.480 -0.000 0.000 0.262 115 M C -0.943 175.340 176.300 -0.028 0.000 1.065 115 M CA 1.754 57.039 55.300 -0.025 0.000 1.114 115 M CB -2.052 30.535 32.600 -0.022 0.000 1.361 115 M HN 0.195 nan 8.290 nan 0.000 0.408 116 P HA -0.039 nan 4.420 nan 0.000 0.225 116 P C 1.290 178.577 177.300 -0.021 0.000 1.148 116 P CA 0.887 63.975 63.100 -0.020 0.000 0.779 116 P CB -0.134 31.558 31.700 -0.014 0.000 0.780 117 L N -2.248 118.963 121.223 -0.020 0.000 2.592 117 L HA 0.172 4.511 4.340 -0.000 0.000 0.227 117 L C 0.950 177.805 176.870 -0.025 0.000 1.127 117 L CA 0.277 55.106 54.840 -0.017 0.000 0.884 117 L CB -0.543 41.510 42.059 -0.011 0.000 1.065 117 L HN 0.014 nan 8.230 nan 0.000 0.457 118 L N 0.200 121.399 121.223 -0.041 0.000 2.400 118 L HA 0.432 4.771 4.340 -0.000 0.000 0.264 118 L C -2.042 174.770 176.870 -0.098 0.000 1.061 118 L CA -2.002 52.796 54.840 -0.070 0.000 0.799 118 L CB 0.301 42.310 42.059 -0.084 0.000 1.240 118 L HN -0.184 nan 8.230 nan 0.000 0.461 119 P HA 0.018 nan 4.420 nan 0.000 0.269 119 P C -0.297 176.898 177.300 -0.174 0.000 1.215 119 P CA -0.363 62.620 63.100 -0.196 0.000 0.780 119 P CB 0.370 31.813 31.700 -0.428 0.000 0.898 120 Q N 0.386 120.126 119.800 -0.100 0.000 2.364 120 Q HA -0.172 4.168 4.340 -0.000 0.000 0.207 120 Q C 0.939 176.903 176.000 -0.060 0.000 0.970 120 Q CA 1.377 57.144 55.803 -0.060 0.000 0.888 120 Q CB -0.407 28.321 28.738 -0.017 0.000 0.951 120 Q HN 0.359 nan 8.270 nan 0.000 0.469 121 E N 0.871 121.005 120.200 -0.109 0.000 2.106 121 E HA -0.090 4.260 4.350 -0.000 0.000 0.192 121 E C 1.902 178.422 176.600 -0.133 0.000 0.984 121 E CA 1.084 57.443 56.400 -0.069 0.000 0.806 121 E CB -0.032 29.663 29.700 -0.008 0.000 0.750 121 E HN 0.160 nan 8.360 nan 0.000 0.458 122 V N 0.360 120.109 119.914 -0.276 0.000 2.591 122 V HA -0.193 3.926 4.120 -0.000 0.000 0.249 122 V C 2.020 178.040 176.094 -0.124 0.000 1.053 122 V CA 1.373 63.549 62.300 -0.207 0.000 1.068 122 V CB -0.152 31.505 31.823 -0.276 0.000 0.689 122 V HN 0.244 nan 8.190 nan 0.000 0.462 123 Q N -0.064 119.670 119.800 -0.109 0.000 2.020 123 Q HA -0.275 4.065 4.340 -0.000 0.000 0.202 123 Q C 2.311 178.274 176.000 -0.061 0.000 0.982 123 Q CA 2.211 57.972 55.803 -0.069 0.000 0.838 123 Q CB -0.167 28.540 28.738 -0.051 0.000 0.899 123 Q HN 0.827 nan 8.270 nan 0.000 0.423 124 Q N -0.152 119.615 119.800 -0.054 0.000 2.436 124 Q HA -0.074 4.266 4.340 -0.000 0.000 0.209 124 Q C 0.594 176.463 176.000 -0.218 0.000 0.965 124 Q CA 0.367 56.131 55.803 -0.066 0.000 0.910 124 Q CB 0.179 28.956 28.738 0.065 0.000 0.980 124 Q HN 0.120 nan 8.270 nan 0.000 0.491 125 Q N 1.017 120.707 119.800 -0.184 0.000 2.308 125 Q HA 0.412 4.752 4.340 -0.000 0.000 0.207 125 Q C -0.357 175.571 176.000 -0.120 0.000 1.035 125 Q CA 0.285 55.976 55.803 -0.188 0.000 1.008 125 Q CB 0.886 29.565 28.738 -0.099 0.000 1.168 125 Q HN 0.356 nan 8.270 nan 0.000 0.565 126 G N 0.480 109.227 108.800 -0.089 0.000 2.621 126 G HA2 0.424 4.384 3.960 -0.000 0.000 0.306 126 G HA3 0.424 4.384 3.960 -0.000 0.000 0.306 126 G C -0.536 174.342 174.900 -0.037 0.000 0.893 126 G CA -0.378 44.688 45.100 -0.058 0.000 1.486 126 G HN 0.353 nan 8.290 nan 0.000 0.477 127 V N 1.218 121.111 119.914 -0.035 0.000 2.953 127 V HA 0.760 4.880 4.120 -0.000 0.000 0.304 127 V C 0.622 176.709 176.094 -0.013 0.000 1.073 127 V CA -0.674 61.613 62.300 -0.021 0.000 1.064 127 V CB 1.421 33.230 31.823 -0.022 0.000 1.047 127 V HN 0.545 nan 8.190 nan 0.000 0.478 128 S N 0.699 116.398 115.700 -0.003 0.000 2.542 128 S HA 0.595 5.064 4.470 -0.000 0.000 0.276 128 S C -1.131 173.477 174.600 0.012 0.000 1.148 128 S CA -0.484 57.718 58.200 0.003 0.000 0.886 128 S CB 1.969 65.172 63.200 0.005 0.000 1.109 128 S HN 0.627 nan 8.310 nan 0.000 0.458 129 V N 3.885 123.807 119.914 0.014 0.000 2.398 129 V HA 0.484 4.604 4.120 -0.000 0.000 0.282 129 V C -0.460 175.647 176.094 0.022 0.000 1.014 129 V CA -0.479 61.834 62.300 0.022 0.000 0.838 129 V CB 1.198 33.032 31.823 0.020 0.000 1.018 129 V HN 0.890 nan 8.190 nan 0.000 0.432 130 E N 2.934 123.151 120.200 0.029 0.000 2.423 130 E HA 0.669 5.018 4.350 -0.000 0.000 0.269 130 E C -1.319 175.302 176.600 0.035 0.000 0.948 130 E CA -1.351 55.066 56.400 0.030 0.000 0.802 130 E CB 2.411 32.131 29.700 0.034 0.000 1.339 130 E HN 0.359 nan 8.360 nan 0.000 0.445 131 K N 0.925 121.345 120.400 0.033 0.000 2.211 131 K HA 0.328 4.647 4.320 -0.000 0.000 0.275 131 K C -0.516 176.111 176.600 0.046 0.000 1.024 131 K CA -0.346 55.961 56.287 0.034 0.000 0.887 131 K CB 1.645 34.158 32.500 0.021 0.000 1.084 131 K HN 0.406 nan 8.250 nan 0.000 0.463 132 S N 1.222 116.953 115.700 0.051 0.000 2.690 132 S HA 0.544 5.014 4.470 -0.000 0.000 0.291 132 S C -0.293 174.334 174.600 0.045 0.000 1.138 132 S CA -0.493 57.738 58.200 0.052 0.000 1.013 132 S CB 1.168 64.403 63.200 0.059 0.000 1.053 132 S HN 0.377 nan 8.310 nan 0.000 0.539 133 S N 1.589 117.308 115.700 0.032 0.000 2.645 133 S HA 0.216 4.685 4.470 -0.000 0.000 0.168 133 S C -0.581 174.008 174.600 -0.018 0.000 0.988 133 S CA -0.566 57.646 58.200 0.021 0.000 1.132 133 S CB 0.122 63.344 63.200 0.038 0.000 1.691 133 S HN 0.755 nan 8.310 nan 0.000 0.457 134 S N 2.837 118.520 115.700 -0.029 0.000 3.366 134 S HA 0.046 4.516 4.470 -0.000 0.000 0.256 134 S C 0.227 174.714 174.600 -0.188 0.000 0.525 134 S CA 1.033 59.175 58.200 -0.097 0.000 1.853 134 S CB -0.777 62.360 63.200 -0.106 0.000 1.078 134 S HN 0.914 nan 8.310 nan 0.000 0.492 135 S N 1.028 116.609 115.700 -0.199 0.000 2.816 135 S HA 0.342 4.812 4.470 -0.000 0.000 0.282 135 S C -0.837 173.652 174.600 -0.185 0.000 0.867 135 S CA -0.963 57.139 58.200 -0.163 0.000 0.886 135 S CB -0.187 62.997 63.200 -0.027 0.000 1.115 135 S HN 0.237 nan 8.310 nan 0.000 0.485 136 F N 3.070 123.148 119.950 0.214 0.000 2.403 136 F HA 0.704 5.231 4.527 -0.000 0.000 0.326 136 F C 1.415 177.364 175.800 0.248 0.000 1.099 136 F CA -0.330 57.780 58.000 0.183 0.000 1.036 136 F CB 0.728 39.759 39.000 0.052 0.000 1.336 136 F HN 0.667 nan 8.300 nan 0.000 0.497 137 L N -1.498 119.987 121.223 0.437 0.000 3.383 137 L HA 0.427 4.767 4.340 -0.000 0.000 0.169 137 L C 0.103 177.139 176.870 0.277 0.000 1.161 137 L CA -0.628 54.399 54.840 0.311 0.000 0.847 137 L CB -0.222 41.959 42.059 0.203 0.000 1.514 137 L HN 0.265 nan 8.230 nan 0.000 0.582 138 M N 2.385 122.109 119.600 0.208 0.000 2.211 138 M HA 0.353 4.832 4.480 -0.000 0.000 0.356 138 M C -1.001 175.349 176.300 0.084 0.000 1.216 138 M CA -0.179 55.210 55.300 0.149 0.000 1.134 138 M CB 1.975 34.654 32.600 0.131 0.000 1.564 138 M HN 0.085 nan 8.290 nan 0.000 0.463 139 V N 4.388 124.289 119.914 -0.021 0.000 2.465 139 V HA 0.155 4.275 4.120 -0.000 0.000 0.263 139 V C -0.221 175.645 176.094 -0.380 0.000 0.981 139 V CA -0.685 61.452 62.300 -0.271 0.000 0.838 139 V CB 1.118 32.687 31.823 -0.422 0.000 1.068 139 V HN 0.640 nan 8.190 nan 0.000 0.458 140 V N 3.636 123.374 119.914 -0.293 0.000 2.390 140 V HA 0.337 4.457 4.120 -0.000 0.000 0.260 140 V C 1.410 177.232 176.094 -0.454 0.000 1.043 140 V CA 0.295 62.370 62.300 -0.375 0.000 1.047 140 V CB 0.591 32.263 31.823 -0.251 0.000 1.066 140 V HN 0.782 nan 8.190 nan 0.000 0.481 141 G N 4.100 112.551 108.800 -0.581 0.000 2.544 141 G HA2 0.445 4.405 3.960 -0.000 0.000 0.242 141 G HA3 0.445 4.405 3.960 -0.000 0.000 0.242 141 G C -0.595 174.108 174.900 -0.328 0.000 1.247 141 G CA -0.204 44.630 45.100 -0.444 0.000 0.840 141 G HN 0.649 nan 8.290 nan 0.000 0.578 142 V N 3.077 122.891 119.914 -0.166 0.000 2.567 142 V HA 0.479 4.598 4.120 -0.000 0.000 0.298 142 V C 0.199 176.243 176.094 -0.082 0.000 1.047 142 V CA -0.587 61.633 62.300 -0.134 0.000 0.880 142 V CB 0.750 32.513 31.823 -0.101 0.000 1.009 142 V HN 0.880 nan 8.190 nan 0.000 0.429 143 I N 0.903 121.427 120.570 -0.077 0.000 3.445 143 I HA 0.769 4.939 4.170 -0.000 0.000 0.303 143 I C -0.981 175.123 176.117 -0.022 0.000 1.129 143 I CA -0.782 60.508 61.300 -0.017 0.000 0.989 143 I CB 2.557 40.590 38.000 0.056 0.000 1.314 143 I HN 0.519 nan 8.210 nan 0.000 0.488 144 N N 0.016 118.717 118.700 0.002 0.000 2.225 144 N HA 0.424 5.164 4.740 -0.000 0.000 0.298 144 N C -0.360 175.163 175.510 0.021 0.000 1.076 144 N CA 0.102 53.149 53.050 -0.005 0.000 0.792 144 N CB 2.521 40.992 38.487 -0.027 0.000 1.498 144 N HN 0.923 nan 8.380 nan 0.000 0.474 145 T N -0.722 113.845 114.554 0.022 0.000 3.182 145 T HA 0.096 4.446 4.350 -0.000 0.000 0.244 145 T C 1.020 175.731 174.700 0.019 0.000 0.981 145 T CA 0.395 62.513 62.100 0.029 0.000 1.182 145 T CB 0.004 68.895 68.868 0.040 0.000 1.043 145 T HN 0.431 nan 8.240 nan 0.000 0.424 146 D N 1.989 122.398 120.400 0.015 0.000 2.306 146 D HA 0.221 4.861 4.640 -0.000 0.000 0.239 146 D C 1.497 177.800 176.300 0.005 0.000 1.105 146 D CA 0.735 54.742 54.000 0.011 0.000 0.950 146 D CB -0.481 40.327 40.800 0.013 0.000 1.036 146 D HN 0.467 nan 8.370 nan 0.000 0.428 147 G N 0.801 109.600 108.800 -0.001 0.000 2.821 147 G HA2 0.219 4.179 3.960 -0.000 0.000 0.289 147 G HA3 0.219 4.179 3.960 -0.000 0.000 0.289 147 G C -0.138 174.755 174.900 -0.012 0.000 0.771 147 G CA -0.154 44.942 45.100 -0.006 0.000 1.908 147 G HN 0.162 nan 8.290 nan 0.000 0.539 148 T N 3.984 118.536 114.554 -0.004 0.000 2.928 148 T HA 0.366 4.716 4.350 -0.000 0.000 0.305 148 T C 0.622 175.319 174.700 -0.005 0.000 1.035 148 T CA 0.403 62.501 62.100 -0.003 0.000 1.145 148 T CB 0.400 69.271 68.868 0.004 0.000 0.963 148 T HN 0.638 nan 8.240 nan 0.000 0.545 149 M N 1.581 121.176 119.600 -0.010 0.000 2.631 149 M HA 0.604 5.084 4.480 -0.000 0.000 0.288 149 M C -0.046 176.255 176.300 0.002 0.000 1.260 149 M CA -1.061 54.237 55.300 -0.004 0.000 0.842 149 M CB 1.892 34.477 32.600 -0.024 0.000 1.743 149 M HN 0.570 nan 8.290 nan 0.000 0.461 150 T N -0.327 114.239 114.554 0.020 0.000 2.788 150 T HA 0.308 4.657 4.350 -0.000 0.000 0.280 150 T C 0.209 174.916 174.700 0.012 0.000 0.984 150 T CA -0.459 61.657 62.100 0.026 0.000 0.972 150 T CB 0.619 69.521 68.868 0.055 0.000 1.039 150 T HN 0.833 nan 8.240 nan 0.000 0.530 151 Q N 0.937 120.746 119.800 0.014 0.000 3.026 151 Q HA 0.423 4.763 4.340 -0.000 0.000 0.258 151 Q C -0.151 175.852 176.000 0.004 0.000 1.388 151 Q CA -0.359 55.444 55.803 -0.000 0.000 1.000 151 Q CB 0.265 29.000 28.738 -0.005 0.000 1.634 151 Q HN 0.833 nan 8.270 nan 0.000 0.571 152 E N 0.328 120.517 120.200 -0.018 0.000 1.474 152 E HA -0.122 4.228 4.350 -0.000 0.000 0.228 152 E C 0.522 177.039 176.600 -0.138 0.000 1.061 152 E CA 0.604 56.989 56.400 -0.026 0.000 1.329 152 E CB -0.787 28.974 29.700 0.102 0.000 4.423 152 E HN 0.397 nan 8.360 nan 0.000 0.784 153 D N 0.567 120.935 120.400 -0.052 0.000 2.144 153 D HA -0.005 4.635 4.640 -0.000 0.000 0.200 153 D C 1.940 178.138 176.300 -0.170 0.000 0.978 153 D CA 1.320 55.257 54.000 -0.104 0.000 0.833 153 D CB 0.082 40.906 40.800 0.041 0.000 0.961 153 D HN 0.357 nan 8.370 nan 0.000 0.470 154 I N 0.631 121.137 120.570 -0.107 0.000 2.286 154 I HA -0.207 3.963 4.170 -0.000 0.000 0.245 154 I C 2.417 178.484 176.117 -0.082 0.000 1.104 154 I CA 0.927 62.179 61.300 -0.081 0.000 1.397 154 I CB -0.200 37.764 38.000 -0.060 0.000 1.072 154 I HN -0.031 nan 8.210 nan 0.000 0.417 155 S N 0.042 115.675 115.700 -0.112 0.000 2.442 155 S HA -0.227 4.242 4.470 -0.000 0.000 0.236 155 S C 1.572 176.071 174.600 -0.167 0.000 1.007 155 S CA 1.463 59.598 58.200 -0.107 0.000 0.965 155 S CB -0.481 62.661 63.200 -0.096 0.000 0.773 155 S HN 0.533 nan 8.310 nan 0.000 0.504 156 D N 0.584 120.802 120.400 -0.304 0.000 2.103 156 D HA -0.164 4.475 4.640 -0.000 0.000 0.199 156 D C 1.810 178.017 176.300 -0.155 0.000 0.978 156 D CA 0.882 54.667 54.000 -0.358 0.000 0.829 156 D CB -0.524 39.730 40.800 -0.910 0.000 0.981 156 D HN 0.416 nan 8.370 nan 0.000 0.464 157 Y N 0.326 120.491 120.300 -0.224 0.000 2.274 157 Y HA -0.083 4.467 4.550 -0.000 0.000 0.290 157 Y C 2.086 177.908 175.900 -0.130 0.000 1.145 157 Y CA 1.061 59.070 58.100 -0.152 0.000 1.203 157 Y CB -0.253 38.105 38.460 -0.170 0.000 0.984 157 Y HN -0.069 nan 8.280 nan 0.000 0.533 158 V N -0.108 119.750 119.914 -0.094 0.000 2.358 158 V HA -0.274 3.845 4.120 -0.000 0.000 0.246 158 V C 2.326 178.343 176.094 -0.129 0.000 1.047 158 V CA 1.881 64.109 62.300 -0.119 0.000 1.035 158 V CB -1.090 30.703 31.823 -0.049 0.000 0.658 158 V HN 0.526 nan 8.190 nan 0.000 0.452 159 A N -1.165 121.588 122.820 -0.112 0.000 2.275 159 A HA 0.562 4.881 4.320 -0.000 0.000 0.212 159 A C 1.486 179.011 177.584 -0.099 0.000 1.201 159 A CA 0.826 52.811 52.037 -0.087 0.000 0.843 159 A CB -0.095 18.865 19.000 -0.068 0.000 0.873 159 A HN 0.566 nan 8.150 nan 0.000 0.492 160 A N -0.634 122.095 122.820 -0.151 0.000 2.674 160 A HA 0.540 4.859 4.320 -0.000 0.000 0.286 160 A C 0.322 177.777 177.584 -0.214 0.000 0.980 160 A CA 0.348 52.302 52.037 -0.138 0.000 1.028 160 A CB -0.295 18.653 19.000 -0.087 0.000 1.199 160 A HN 0.458 nan 8.150 nan 0.000 0.499 161 N N -1.418 117.137 118.700 -0.241 0.000 2.439 161 N HA -0.045 4.695 4.740 -0.000 0.000 0.318 161 N C 1.191 176.612 175.510 -0.148 0.000 0.676 161 N CA 1.018 53.912 53.050 -0.260 0.000 0.624 161 N CB -0.197 37.949 38.487 -0.567 0.000 2.376 161 N HN 0.183 nan 8.380 nan 0.000 1.245 162 M N -0.595 118.921 119.600 -0.140 0.000 2.638 162 M HA 0.347 4.826 4.480 -0.000 0.000 0.256 162 M C 1.837 178.125 176.300 -0.020 0.000 1.282 162 M CA 0.252 55.529 55.300 -0.039 0.000 1.155 162 M CB 0.076 32.680 32.600 0.007 0.000 1.345 162 M HN 0.048 nan 8.290 nan 0.000 0.523 163 K N 1.431 121.808 120.400 -0.038 0.000 2.062 163 K HA -0.158 4.162 4.320 -0.000 0.000 0.205 163 K C 1.302 177.899 176.600 -0.004 0.000 1.051 163 K CA 2.036 58.317 56.287 -0.011 0.000 0.941 163 K CB 0.009 32.499 32.500 -0.016 0.000 0.719 163 K HN 0.097 nan 8.250 nan 0.000 0.440 164 D N 0.027 120.415 120.400 -0.020 0.000 2.182 164 D HA -0.102 4.538 4.640 -0.000 0.000 0.201 164 D C 1.562 177.860 176.300 -0.003 0.000 0.986 164 D CA 1.310 55.301 54.000 -0.014 0.000 0.847 164 D CB 0.056 40.840 40.800 -0.027 0.000 0.942 164 D HN 0.406 nan 8.370 nan 0.000 0.467 165 A N -0.395 122.424 122.820 -0.002 0.000 2.021 165 A HA -0.006 4.314 4.320 -0.000 0.000 0.216 165 A C 1.873 179.470 177.584 0.023 0.000 1.163 165 A CA 0.375 52.418 52.037 0.009 0.000 0.676 165 A CB -0.162 18.844 19.000 0.010 0.000 0.818 165 A HN 0.110 nan 8.150 nan 0.000 0.453 166 I N 1.085 121.672 120.570 0.028 0.000 2.193 166 I HA -0.170 4.000 4.170 -0.000 0.000 0.240 166 I C 2.861 179.005 176.117 0.047 0.000 1.084 166 I CA 1.842 63.168 61.300 0.043 0.000 1.365 166 I CB -1.284 36.745 38.000 0.050 0.000 1.064 166 I HN 0.458 nan 8.210 nan 0.000 0.410 167 S N 0.689 116.414 115.700 0.043 0.000 2.383 167 S HA -0.264 4.205 4.470 -0.000 0.000 0.229 167 S C 2.204 176.825 174.600 0.036 0.000 1.030 167 S CA 1.318 59.545 58.200 0.045 0.000 1.002 167 S CB -0.682 62.541 63.200 0.038 0.000 0.829 167 S HN 0.419 nan 8.310 nan 0.000 0.467 168 R N 1.101 121.618 120.500 0.027 0.000 2.092 168 R HA 0.046 4.386 4.340 -0.000 0.000 0.231 168 R C 0.720 177.035 176.300 0.026 0.000 1.119 168 R CA 1.087 57.200 56.100 0.022 0.000 0.970 168 R CB -0.655 29.654 30.300 0.015 0.000 0.864 168 R HN 0.360 nan 8.270 nan 0.000 0.440 169 T N 1.104 115.677 114.554 0.031 0.000 2.903 169 T HA -0.052 4.298 4.350 -0.000 0.000 0.314 169 T C -0.266 174.456 174.700 0.037 0.000 1.078 169 T CA 0.580 62.700 62.100 0.034 0.000 1.114 169 T CB 0.580 69.472 68.868 0.039 0.000 0.987 169 T HN 0.572 nan 8.240 nan 0.000 0.548 170 S N 2.229 117.949 115.700 0.034 0.000 4.268 170 S HA -0.098 4.372 4.470 -0.000 0.000 0.291 170 S C 1.090 175.715 174.600 0.041 0.000 0.440 170 S CA 0.095 58.316 58.200 0.035 0.000 1.363 170 S CB -1.735 61.487 63.200 0.036 0.000 1.853 170 S HN 1.725 nan 8.310 nan 0.000 0.331 171 G N 1.970 110.792 108.800 0.036 0.000 2.369 171 G HA2 -0.166 3.793 3.960 -0.000 0.000 0.286 171 G HA3 -0.166 3.793 3.960 -0.000 0.000 0.286 171 G C 0.016 174.947 174.900 0.051 0.000 0.938 171 G CA -0.024 45.099 45.100 0.039 0.000 1.271 171 G HN 1.415 nan 8.290 nan 0.000 0.488 172 V N 0.752 120.699 119.914 0.055 0.000 2.465 172 V HA 0.558 4.678 4.120 -0.000 0.000 0.279 172 V C 1.821 177.953 176.094 0.064 0.000 1.045 172 V CA 0.506 62.848 62.300 0.070 0.000 0.938 172 V CB 1.189 33.057 31.823 0.076 0.000 0.986 172 V HN 0.571 nan 8.190 nan 0.000 0.467 173 G N 4.397 113.241 108.800 0.073 0.000 2.505 173 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.214 173 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.214 173 G C 0.116 175.056 174.900 0.066 0.000 1.237 173 G CA 1.039 46.177 45.100 0.064 0.000 0.802 173 G HN 0.899 nan 8.290 nan 0.000 0.549 174 D N -2.250 118.203 120.400 0.088 0.000 2.927 174 D HA 0.444 5.084 4.640 -0.000 0.000 0.219 174 D C -1.115 175.264 176.300 0.131 0.000 1.248 174 D CA -0.790 53.263 54.000 0.089 0.000 0.861 174 D CB 2.011 42.855 40.800 0.074 0.000 1.677 174 D HN 0.102 nan 8.370 nan 0.000 0.511 175 V N 1.206 121.186 119.914 0.111 0.000 2.439 175 V HA 0.477 4.596 4.120 -0.000 0.000 0.282 175 V C -0.296 175.866 176.094 0.113 0.000 1.039 175 V CA -0.458 61.925 62.300 0.138 0.000 0.913 175 V CB 1.355 33.238 31.823 0.099 0.000 0.983 175 V HN 0.636 nan 8.190 nan 0.000 0.460 176 Q N 3.919 123.817 119.800 0.163 0.000 2.347 176 Q HA 0.422 4.762 4.340 -0.000 0.000 0.262 176 Q C -0.869 175.125 176.000 -0.009 0.000 0.980 176 Q CA -0.180 55.629 55.803 0.010 0.000 0.867 176 Q CB 1.380 30.101 28.738 -0.028 0.000 1.242 176 Q HN 0.743 nan 8.270 nan 0.000 0.453 177 L N 4.622 125.802 121.223 -0.072 0.000 2.455 177 L HA 0.218 4.558 4.340 -0.000 0.000 0.272 177 L C -0.746 176.046 176.870 -0.131 0.000 1.174 177 L CA 0.098 54.930 54.840 -0.014 0.000 0.869 177 L CB 0.230 42.260 42.059 -0.047 0.000 1.130 177 L HN 0.777 nan 8.230 nan 0.000 0.474 178 F N 4.361 124.294 119.950 -0.029 0.000 2.441 178 F HA 0.478 5.005 4.527 -0.000 0.000 0.337 178 F C 0.869 176.647 175.800 -0.037 0.000 1.182 178 F CA 0.217 58.213 58.000 -0.007 0.000 1.279 178 F CB 0.540 39.601 39.000 0.101 0.000 1.614 178 F HN 0.646 nan 8.300 nan 0.000 0.574 179 G N 0.010 108.804 108.800 -0.011 0.000 2.366 179 G HA2 0.305 4.264 3.960 -0.000 0.000 0.190 179 G HA3 0.305 4.264 3.960 -0.000 0.000 0.190 179 G C -1.320 173.515 174.900 -0.108 0.000 1.299 179 G CA -0.434 44.636 45.100 -0.050 0.000 1.056 179 G HN 0.375 nan 8.290 nan 0.000 0.468 180 S N -0.935 114.690 115.700 -0.126 0.000 2.535 180 S HA 0.559 5.029 4.470 -0.000 0.000 0.272 180 S C -0.617 173.911 174.600 -0.121 0.000 1.149 180 S CA 0.118 58.238 58.200 -0.133 0.000 0.888 180 S CB 1.667 64.755 63.200 -0.188 0.000 1.110 180 S HN 0.981 nan 8.310 nan 0.000 0.463 181 Q N 2.572 122.328 119.800 -0.073 0.000 2.392 181 Q HA 0.256 4.596 4.340 -0.000 0.000 0.262 181 Q C -0.928 175.106 176.000 0.056 0.000 1.003 181 Q CA -0.079 55.699 55.803 -0.042 0.000 0.888 181 Q CB 0.306 29.043 28.738 -0.003 0.000 1.260 181 Q HN 0.656 nan 8.270 nan 0.000 0.435 182 Y N 1.015 121.328 120.300 0.020 0.000 2.459 182 Y HA 0.319 4.869 4.550 -0.000 0.000 0.349 182 Y C 0.234 176.204 175.900 0.117 0.000 1.266 182 Y CA 0.171 58.303 58.100 0.055 0.000 1.483 182 Y CB 0.755 39.264 38.460 0.081 0.000 1.362 182 Y HN 0.722 nan 8.280 nan 0.000 0.628 183 A N 2.318 125.323 122.820 0.308 0.000 2.577 183 A HA 0.475 4.795 4.320 -0.000 0.000 0.297 183 A C -1.111 176.481 177.584 0.015 0.000 1.060 183 A CA -0.968 51.227 52.037 0.264 0.000 0.697 183 A CB 0.932 20.101 19.000 0.282 0.000 1.281 183 A HN 0.650 nan 8.150 nan 0.000 0.402 184 M N 1.950 121.400 119.600 -0.249 0.000 2.922 184 M HA 0.266 4.746 4.480 -0.000 0.000 0.294 184 M C 0.186 176.168 176.300 -0.529 0.000 1.556 184 M CA 0.352 55.204 55.300 -0.747 0.000 1.568 184 M CB -0.910 30.636 32.600 -1.757 0.000 1.462 184 M HN 0.536 nan 8.290 nan 0.000 0.489 185 R N 4.267 124.530 120.500 -0.396 0.000 2.265 185 R HA 0.584 4.923 4.340 -0.000 0.000 0.314 185 R C -1.240 174.632 176.300 -0.713 0.000 1.053 185 R CA 0.046 55.844 56.100 -0.504 0.000 0.931 185 R CB 0.424 30.498 30.300 -0.378 0.000 1.024 185 R HN 0.726 nan 8.270 nan 0.000 0.457 186 I N 4.218 124.315 120.570 -0.787 0.000 2.418 186 I HA 0.292 4.462 4.170 -0.000 0.000 0.287 186 I C -0.823 174.956 176.117 -0.563 0.000 1.008 186 I CA -0.681 60.290 61.300 -0.548 0.000 1.104 186 I CB 1.710 39.554 38.000 -0.259 0.000 1.264 186 I HN 0.540 nan 8.210 nan 0.000 0.438 187 W N 6.937 128.248 121.300 0.018 0.000 2.347 187 W HA 0.504 5.164 4.660 -0.000 0.000 0.321 187 W C -0.172 176.373 176.519 0.043 0.000 0.971 187 W CA -0.723 56.640 57.345 0.031 0.000 1.508 187 W CB 0.625 30.092 29.460 0.012 0.000 1.299 187 W HN 0.227 nan 8.180 nan 0.000 0.399 188 M N 3.387 123.127 119.600 0.234 0.000 2.364 188 M HA -0.005 4.475 4.480 -0.000 0.000 0.342 188 M C 0.642 176.984 176.300 0.069 0.000 1.601 188 M CA 0.490 55.893 55.300 0.172 0.000 1.156 188 M CB 0.042 32.786 32.600 0.240 0.000 1.912 188 M HN 0.279 nan 8.290 nan 0.000 0.460 189 N N 6.134 124.793 118.700 -0.068 0.000 2.442 189 N HA 0.141 4.881 4.740 -0.000 0.000 0.265 189 N C -1.777 173.417 175.510 -0.526 0.000 1.138 189 N CA -1.286 51.536 53.050 -0.379 0.000 0.956 189 N CB 1.255 39.620 38.487 -0.204 0.000 1.067 189 N HN 0.378 nan 8.380 nan 0.000 0.474 190 P HA 0.038 nan 4.420 nan 0.000 0.236 190 P C 0.343 177.353 177.300 -0.483 0.000 1.177 190 P CA 0.601 63.152 63.100 -0.914 0.000 0.773 190 P CB 0.642 31.277 31.700 -1.774 0.000 0.878 191 N N 0.482 118.897 118.700 -0.476 0.000 2.290 191 N HA -0.055 4.685 4.740 -0.000 0.000 0.179 191 N C 1.256 176.694 175.510 -0.119 0.000 1.016 191 N CA 0.916 53.839 53.050 -0.212 0.000 0.871 191 N CB -0.379 38.023 38.487 -0.142 0.000 0.987 191 N HN 0.265 nan 8.380 nan 0.000 0.431 192 E N 0.381 120.530 120.200 -0.084 0.000 2.359 192 E HA 0.098 4.448 4.350 -0.000 0.000 0.187 192 E C 1.061 177.779 176.600 0.196 0.000 1.081 192 E CA -0.052 56.401 56.400 0.089 0.000 0.929 192 E CB 0.394 30.182 29.700 0.147 0.000 1.086 192 E HN 0.356 nan 8.360 nan 0.000 0.462 193 L N -0.276 120.990 121.223 0.071 0.000 2.433 193 L HA 0.063 4.403 4.340 -0.000 0.000 0.200 193 L C 2.158 179.098 176.870 0.116 0.000 1.059 193 L CA 0.312 55.227 54.840 0.125 0.000 0.835 193 L CB -0.070 42.036 42.059 0.078 0.000 1.076 193 L HN 0.143 nan 8.230 nan 0.000 0.481 194 N N 0.533 119.250 118.700 0.029 0.000 2.289 194 N HA -0.265 4.475 4.740 -0.000 0.000 0.184 194 N C 1.770 177.196 175.510 -0.139 0.000 1.016 194 N CA 0.815 53.817 53.050 -0.079 0.000 0.872 194 N CB 0.250 38.579 38.487 -0.264 0.000 0.973 194 N HN 0.131 nan 8.380 nan 0.000 0.433 195 K N -0.177 120.126 120.400 -0.162 0.000 2.147 195 K HA -0.102 4.218 4.320 -0.000 0.000 0.205 195 K C 0.403 176.678 176.600 -0.541 0.000 1.049 195 K CA 1.335 57.387 56.287 -0.392 0.000 0.936 195 K CB 0.022 32.203 32.500 -0.532 0.000 0.722 195 K HN 0.174 nan 8.250 nan 0.000 0.446 196 F N 0.800 120.727 119.950 -0.038 0.000 2.661 196 F HA 0.273 4.800 4.527 -0.000 0.000 0.306 196 F C -0.719 175.073 175.800 -0.014 0.000 1.094 196 F CA -0.667 57.319 58.000 -0.023 0.000 1.254 196 F CB 0.271 39.263 39.000 -0.015 0.000 1.040 196 F HN -0.070 nan 8.300 nan 0.000 0.562 197 Q N 1.246 121.111 119.800 0.107 0.000 2.416 197 Q HA -0.092 4.247 4.340 -0.000 0.000 0.353 197 Q C -1.153 174.917 176.000 0.116 0.000 1.408 197 Q CA 0.499 56.350 55.803 0.080 0.000 0.939 197 Q CB -1.454 27.314 28.738 0.050 0.000 1.112 197 Q HN 0.480 nan 8.270 nan 0.000 0.321 198 L N -0.058 121.246 121.223 0.135 0.000 2.671 198 L HA 0.794 5.134 4.340 -0.000 0.000 0.259 198 L C -0.042 176.933 176.870 0.174 0.000 1.021 198 L CA -0.557 54.366 54.840 0.137 0.000 0.871 198 L CB 2.505 44.639 42.059 0.126 0.000 1.472 198 L HN 0.536 nan 8.230 nan 0.000 0.410 199 T N -3.495 111.159 114.554 0.166 0.000 2.888 199 T HA 0.503 4.853 4.350 -0.000 0.000 0.288 199 T C -2.537 172.271 174.700 0.180 0.000 1.063 199 T CA -1.769 60.458 62.100 0.211 0.000 1.010 199 T CB 2.006 70.990 68.868 0.194 0.000 1.214 199 T HN 0.283 nan 8.240 nan 0.000 0.533 200 P HA 0.077 nan 4.420 nan 0.000 0.226 200 P C 1.491 178.839 177.300 0.081 0.000 1.153 200 P CA 0.173 63.352 63.100 0.131 0.000 0.777 200 P CB -0.145 31.610 31.700 0.092 0.000 0.794 201 V N 0.385 120.349 119.914 0.083 0.000 2.515 201 V HA -0.182 3.938 4.120 -0.000 0.000 0.250 201 V C 1.872 177.991 176.094 0.042 0.000 1.058 201 V CA 1.857 64.190 62.300 0.056 0.000 1.064 201 V CB -0.978 30.880 31.823 0.058 0.000 0.675 201 V HN 0.165 nan 8.190 nan 0.000 0.461 202 D N 0.070 120.501 120.400 0.051 0.000 2.277 202 D HA -0.062 4.578 4.640 -0.000 0.000 0.208 202 D C 2.114 178.424 176.300 0.018 0.000 0.962 202 D CA 1.003 55.023 54.000 0.033 0.000 0.865 202 D CB 0.276 41.101 40.800 0.041 0.000 0.939 202 D HN 0.395 nan 8.370 nan 0.000 0.510 203 V N 1.288 121.219 119.914 0.029 0.000 2.323 203 V HA -0.158 3.962 4.120 -0.000 0.000 0.244 203 V C 2.534 178.628 176.094 -0.000 0.000 1.041 203 V CA 0.895 63.203 62.300 0.015 0.000 1.025 203 V CB -0.329 31.514 31.823 0.034 0.000 0.656 203 V HN 0.113 nan 8.190 nan 0.000 0.451 204 I N 0.447 121.020 120.570 0.004 0.000 2.361 204 I HA -0.206 3.963 4.170 -0.000 0.000 0.251 204 I C 2.504 178.606 176.117 -0.024 0.000 1.133 204 I CA 1.639 62.931 61.300 -0.014 0.000 1.413 204 I CB -0.527 37.469 38.000 -0.007 0.000 1.073 204 I HN 0.301 nan 8.210 nan 0.000 0.424 205 T N 0.496 115.041 114.554 -0.016 0.000 2.857 205 T HA -0.052 4.298 4.350 -0.000 0.000 0.266 205 T C 2.011 176.689 174.700 -0.036 0.000 1.048 205 T CA 1.263 63.349 62.100 -0.022 0.000 1.139 205 T CB -0.150 68.711 68.868 -0.011 0.000 0.874 205 T HN 0.458 nan 8.240 nan 0.000 0.455 206 A N 0.936 123.733 122.820 -0.039 0.000 2.014 206 A HA 0.101 4.420 4.320 -0.000 0.000 0.218 206 A C 2.138 179.669 177.584 -0.089 0.000 1.163 206 A CA 0.856 52.858 52.037 -0.060 0.000 0.652 206 A CB -0.558 18.407 19.000 -0.058 0.000 0.808 206 A HN 0.556 nan 8.150 nan 0.000 0.449 207 I N -1.147 119.377 120.570 -0.077 0.000 2.703 207 I HA -0.047 4.123 4.170 -0.000 0.000 0.259 207 I C 0.585 176.649 176.117 -0.089 0.000 1.151 207 I CA 0.604 61.845 61.300 -0.099 0.000 1.470 207 I CB -0.116 37.867 38.000 -0.027 0.000 1.112 207 I HN 0.097 nan 8.210 nan 0.000 0.437 208 K N 2.028 122.387 120.400 -0.070 0.000 2.751 208 K HA 0.453 4.773 4.320 -0.000 0.000 0.252 208 K C 0.242 176.808 176.600 -0.056 0.000 1.277 208 K CA 0.166 56.415 56.287 -0.063 0.000 1.226 208 K CB 0.623 33.090 32.500 -0.056 0.000 1.658 208 K HN 0.312 nan 8.250 nan 0.000 0.303 209 A N 0.339 123.119 122.820 -0.067 0.000 2.511 209 A HA -0.074 4.246 4.320 -0.000 0.000 0.201 209 A C 1.332 178.870 177.584 -0.077 0.000 1.628 209 A CA -0.234 51.765 52.037 -0.062 0.000 1.578 209 A CB -0.003 18.962 19.000 -0.058 0.000 1.443 209 A HN 0.336 nan 8.150 nan 0.000 0.514 210 Q N -0.250 119.486 119.800 -0.108 0.000 2.259 210 Q HA 0.066 4.406 4.340 -0.000 0.000 0.201 210 Q C 0.361 176.265 176.000 -0.161 0.000 0.938 210 Q CA 0.943 56.667 55.803 -0.132 0.000 0.872 210 Q CB 0.117 28.758 28.738 -0.162 0.000 0.971 210 Q HN 0.506 nan 8.270 nan 0.000 0.494 211 N N 0.993 119.575 118.700 -0.197 0.000 2.868 211 N HA 0.331 5.071 4.740 -0.000 0.000 0.252 211 N C -1.749 173.719 175.510 -0.070 0.000 1.130 211 N CA -0.055 52.890 53.050 -0.175 0.000 1.026 211 N CB 0.446 38.773 38.487 -0.267 0.000 1.335 211 N HN 0.168 nan 8.380 nan 0.000 0.516 212 A N 2.075 124.866 122.820 -0.049 0.000 2.555 212 A HA 0.339 4.659 4.320 -0.000 0.000 0.297 212 A C -1.091 176.482 177.584 -0.018 0.000 1.060 212 A CA -0.829 51.192 52.037 -0.027 0.000 0.710 212 A CB 1.156 20.135 19.000 -0.036 0.000 1.282 212 A HN 0.384 nan 8.150 nan 0.000 0.399 213 Q N 0.873 120.669 119.800 -0.007 0.000 2.288 213 Q HA 0.527 4.867 4.340 -0.000 0.000 0.254 213 Q C -0.589 175.405 176.000 -0.009 0.000 0.932 213 Q CA -0.074 55.726 55.803 -0.005 0.000 0.902 213 Q CB 1.841 30.580 28.738 0.001 0.000 1.203 213 Q HN 0.583 nan 8.270 nan 0.000 0.415 214 V N 0.927 120.835 119.914 -0.010 0.000 2.680 214 V HA 0.517 4.637 4.120 -0.000 0.000 0.309 214 V C -0.344 175.745 176.094 -0.008 0.000 1.052 214 V CA -0.995 61.299 62.300 -0.010 0.000 0.908 214 V CB 1.881 33.696 31.823 -0.014 0.000 1.001 214 V HN 0.806 nan 8.190 nan 0.000 0.431 215 A N 3.220 126.035 122.820 -0.007 0.000 3.016 215 A HA 0.761 5.081 4.320 -0.000 0.000 0.303 215 A C 0.597 178.177 177.584 -0.006 0.000 1.507 215 A CA -0.013 52.020 52.037 -0.006 0.000 1.196 215 A CB -0.383 18.614 19.000 -0.005 0.000 1.169 215 A HN 1.235 nan 8.150 nan 0.000 0.544 216 A N 1.353 124.169 122.820 -0.007 0.000 2.351 216 A HA 0.624 4.944 4.320 -0.000 0.000 0.257 216 A C 1.191 178.771 177.584 -0.005 0.000 1.087 216 A CA 0.241 52.274 52.037 -0.006 0.000 0.798 216 A CB 0.075 19.071 19.000 -0.007 0.000 1.033 216 A HN 1.072 nan 8.150 nan 0.000 0.488 217 G N 0.031 108.828 108.800 -0.005 0.000 2.820 217 G HA2 0.454 4.414 3.960 -0.000 0.000 0.158 217 G HA3 0.454 4.414 3.960 -0.000 0.000 0.158 217 G C -0.113 174.785 174.900 -0.004 0.000 1.715 217 G CA 0.447 45.545 45.100 -0.004 0.000 1.057 217 G HN 1.035 nan 8.290 nan 0.000 0.525 218 Q N -1.183 118.615 119.800 -0.004 0.000 2.320 218 Q HA 0.501 4.841 4.340 -0.000 0.000 0.272 218 Q C -1.264 174.734 176.000 -0.003 0.000 1.023 218 Q CA -0.873 54.928 55.803 -0.003 0.000 0.855 218 Q CB 1.802 30.538 28.738 -0.003 0.000 1.367 218 Q HN 0.343 nan 8.270 nan 0.000 0.406 219 L N 1.783 123.005 121.223 -0.003 0.000 2.490 219 L HA 0.340 4.680 4.340 -0.000 0.000 0.274 219 L C 1.059 177.927 176.870 -0.002 0.000 1.201 219 L CA 1.087 55.925 54.840 -0.003 0.000 0.869 219 L CB 0.009 42.067 42.059 -0.002 0.000 1.123 219 L HN 1.066 nan 8.230 nan 0.000 0.484 220 G N 2.694 111.493 108.800 -0.002 0.000 2.392 220 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.290 220 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.290 220 G C 0.511 175.410 174.900 -0.002 0.000 1.032 220 G CA -0.071 45.028 45.100 -0.002 0.000 1.269 220 G HN 1.086 nan 8.290 nan 0.000 0.511 221 G N -0.070 108.729 108.800 -0.002 0.000 2.590 221 G HA2 0.427 4.386 3.960 -0.000 0.000 0.276 221 G HA3 0.427 4.386 3.960 -0.000 0.000 0.276 221 G C 1.305 176.203 174.900 -0.002 0.000 1.337 221 G CA 0.805 45.903 45.100 -0.002 0.000 1.030 221 G HN 0.588 nan 8.290 nan 0.000 0.534 222 T N 1.255 115.807 114.554 -0.002 0.000 2.708 222 T HA -0.000 4.350 4.350 -0.000 0.000 0.266 222 T C -1.202 173.497 174.700 -0.002 0.000 1.037 222 T CA 1.356 63.455 62.100 -0.002 0.000 1.146 222 T CB -0.559 68.307 68.868 -0.002 0.000 0.865 222 T HN 0.428 nan 8.240 nan 0.000 0.435 223 P HA 0.410 nan 4.420 nan 0.000 0.253 223 P C -2.593 174.706 177.300 -0.002 0.000 1.667 223 P CA -1.425 61.674 63.100 -0.002 0.000 1.118 223 P CB 0.853 32.552 31.700 -0.002 0.000 1.595 224 P HA 0.245 nan 4.420 nan 0.000 0.284 224 P C -0.694 176.605 177.300 -0.002 0.000 1.292 224 P CA -0.621 62.478 63.100 -0.002 0.000 0.800 224 P CB 0.983 32.682 31.700 -0.002 0.000 1.188 225 V N 0.620 120.533 119.914 -0.002 0.000 2.432 225 V HA 0.134 4.254 4.120 -0.000 0.000 0.271 225 V C 0.677 176.770 176.094 -0.001 0.000 1.046 225 V CA -0.638 61.661 62.300 -0.001 0.000 0.945 225 V CB -0.311 31.511 31.823 -0.001 0.000 0.992 225 V HN 0.453 nan 8.190 nan 0.000 0.471 226 K N 3.722 124.122 120.400 -0.001 0.000 2.511 226 K HA 0.282 4.602 4.320 -0.000 0.000 0.277 226 K C 1.196 177.795 176.600 -0.001 0.000 1.025 226 K CA 1.183 57.470 56.287 -0.001 0.000 1.112 226 K CB -0.167 32.333 32.500 -0.001 0.000 0.859 226 K HN 1.175 nan 8.250 nan 0.000 0.485 227 G N 1.644 110.443 108.800 -0.001 0.000 2.148 227 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.203 227 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.203 227 G C -0.166 174.734 174.900 -0.001 0.000 0.993 227 G CA -0.115 44.984 45.100 -0.001 0.000 0.661 227 G HN 0.554 nan 8.290 nan 0.000 0.518 228 Q N -0.159 119.640 119.800 -0.001 0.000 2.373 228 Q HA 0.651 4.990 4.340 -0.000 0.000 0.255 228 Q C 1.304 177.304 176.000 -0.001 0.000 0.980 228 Q CA 0.331 56.134 55.803 -0.001 0.000 0.882 228 Q CB 0.991 29.728 28.738 -0.001 0.000 1.249 228 Q HN 0.220 nan 8.270 nan 0.000 0.438 229 Q N 1.880 121.679 119.800 -0.001 0.000 2.392 229 Q HA 0.347 4.687 4.340 -0.000 0.000 0.219 229 Q C -0.520 175.479 176.000 -0.001 0.000 0.895 229 Q CA 0.436 56.239 55.803 -0.001 0.000 0.929 229 Q CB 0.407 29.145 28.738 -0.001 0.000 1.077 229 Q HN 0.666 nan 8.270 nan 0.000 0.532 230 L N -2.186 119.037 121.223 -0.001 0.000 2.350 230 L HA 0.674 5.014 4.340 -0.000 0.000 0.260 230 L C -1.177 175.692 176.870 -0.001 0.000 1.015 230 L CA -0.831 54.008 54.840 -0.001 0.000 0.821 230 L CB 2.389 44.447 42.059 -0.001 0.000 1.370 230 L HN -0.100 nan 8.230 nan 0.000 0.416 231 N N 2.135 120.834 118.700 -0.001 0.000 2.629 231 N HA 0.603 5.342 4.740 -0.000 0.000 0.277 231 N C -1.765 173.744 175.510 -0.002 0.000 1.188 231 N CA -0.150 52.900 53.050 -0.001 0.000 0.835 231 N CB 1.966 40.452 38.487 -0.001 0.000 1.420 231 N HN 1.022 nan 8.380 nan 0.000 0.542 232 A N 1.654 124.473 122.820 -0.002 0.000 2.384 232 A HA 0.691 5.011 4.320 -0.000 0.000 0.312 232 A C -0.211 177.371 177.584 -0.002 0.000 1.113 232 A CA -0.602 51.434 52.037 -0.002 0.000 0.779 232 A CB 1.289 20.288 19.000 -0.002 0.000 1.307 232 A HN 0.590 nan 8.150 nan 0.000 0.436 233 S N 0.702 116.401 115.700 -0.002 0.000 2.499 233 S HA 0.637 5.107 4.470 -0.000 0.000 0.279 233 S C -0.312 174.286 174.600 -0.003 0.000 1.219 233 S CA -0.377 57.821 58.200 -0.003 0.000 1.062 233 S CB 0.257 63.456 63.200 -0.003 0.000 0.978 233 S HN 0.476 nan 8.310 nan 0.000 0.489 234 I N 2.930 123.498 120.570 -0.003 0.000 2.441 234 I HA 0.271 4.441 4.170 -0.000 0.000 0.287 234 I C -0.378 175.737 176.117 -0.004 0.000 1.049 234 I CA -0.572 60.726 61.300 -0.004 0.000 1.381 234 I CB 0.740 38.737 38.000 -0.005 0.000 1.409 234 I HN 0.546 nan 8.210 nan 0.000 0.523 235 I N 5.229 125.797 120.570 -0.005 0.000 2.498 235 I HA 0.568 4.738 4.170 -0.000 0.000 0.301 235 I C 0.501 176.614 176.117 -0.007 0.000 0.984 235 I CA 0.281 61.578 61.300 -0.005 0.000 1.204 235 I CB 1.645 39.642 38.000 -0.004 0.000 1.362 235 I HN 0.733 nan 8.210 nan 0.000 0.471 236 A N 4.120 126.935 122.820 -0.008 0.000 3.884 236 A HA 0.530 4.850 4.320 -0.000 0.000 0.170 236 A C -0.566 177.010 177.584 -0.013 0.000 0.825 236 A CA -0.438 51.592 52.037 -0.011 0.000 0.978 236 A CB 0.245 19.238 19.000 -0.011 0.000 1.566 236 A HN 0.557 nan 8.150 nan 0.000 0.770 237 Q N 0.982 120.771 119.800 -0.017 0.000 2.255 237 Q HA 0.248 4.588 4.340 -0.000 0.000 0.280 237 Q C -0.509 175.480 176.000 -0.017 0.000 1.068 237 Q CA 0.341 56.130 55.803 -0.023 0.000 0.911 237 Q CB 0.395 29.114 28.738 -0.030 0.000 1.157 237 Q HN 0.550 nan 8.270 nan 0.000 0.380 238 T N 2.351 116.896 114.554 -0.015 0.000 2.928 238 T HA 0.289 4.639 4.350 -0.000 0.000 0.284 238 T C 0.018 174.719 174.700 0.000 0.000 1.008 238 T CA -0.629 61.469 62.100 -0.004 0.000 1.057 238 T CB 0.735 69.605 68.868 0.002 0.000 1.018 238 T HN 0.461 nan 8.240 nan 0.000 0.493 239 R N 2.469 122.982 120.500 0.020 0.000 2.590 239 R HA 0.239 4.579 4.340 -0.000 0.000 0.274 239 R C 0.035 176.387 176.300 0.087 0.000 1.061 239 R CA -0.692 55.440 56.100 0.052 0.000 1.081 239 R CB 0.268 30.612 30.300 0.074 0.000 0.984 239 R HN 0.393 nan 8.270 nan 0.000 0.448 240 L N 1.825 123.115 121.223 0.111 0.000 2.473 240 L HA 0.050 4.390 4.340 -0.000 0.000 0.268 240 L C 1.260 178.350 176.870 0.367 0.000 1.215 240 L CA 0.963 55.892 54.840 0.147 0.000 0.823 240 L CB 1.222 43.245 42.059 -0.060 0.000 1.099 240 L HN 0.801 nan 8.230 nan 0.000 0.483 241 T N -0.879 113.864 114.554 0.315 0.000 3.138 241 T HA 0.093 4.443 4.350 -0.000 0.000 0.245 241 T C 0.667 175.584 174.700 0.361 0.000 0.982 241 T CA 0.443 62.731 62.100 0.313 0.000 1.134 241 T CB 0.457 69.422 68.868 0.161 0.000 1.032 241 T HN 0.712 nan 8.240 nan 0.000 0.442 242 S N 0.166 116.022 115.700 0.260 0.000 2.751 242 S HA 0.460 4.930 4.470 -0.000 0.000 0.310 242 S C 1.197 175.877 174.600 0.134 0.000 1.128 242 S CA 0.019 58.322 58.200 0.173 0.000 0.931 242 S CB 1.211 64.478 63.200 0.113 0.000 1.177 242 S HN 0.085 nan 8.310 nan 0.000 0.530 243 T N -0.700 113.879 114.554 0.042 0.000 2.867 243 T HA -0.100 4.250 4.350 -0.000 0.000 0.268 243 T C 1.467 176.200 174.700 0.056 0.000 1.057 243 T CA 1.961 64.058 62.100 -0.004 0.000 1.136 243 T CB -0.756 68.086 68.868 -0.043 0.000 0.874 243 T HN 0.759 nan 8.240 nan 0.000 0.466 244 E N 0.193 120.429 120.200 0.059 0.000 2.072 244 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 244 E C 2.128 178.763 176.600 0.058 0.000 0.985 244 E CA 1.260 57.690 56.400 0.049 0.000 0.801 244 E CB -0.067 29.656 29.700 0.038 0.000 0.750 244 E HN 0.634 nan 8.360 nan 0.000 0.452 245 E N -0.374 119.875 120.200 0.083 0.000 2.150 245 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 245 E C 1.894 178.491 176.600 -0.005 0.000 0.985 245 E CA 0.724 57.147 56.400 0.038 0.000 0.814 245 E CB -0.176 29.552 29.700 0.046 0.000 0.752 245 E HN 0.352 nan 8.360 nan 0.000 0.466 246 F N 0.991 120.895 119.950 -0.078 0.000 2.259 246 F HA -0.001 4.526 4.527 -0.000 0.000 0.298 246 F C 2.463 178.211 175.800 -0.087 0.000 1.088 246 F CA 1.194 59.131 58.000 -0.106 0.000 1.358 246 F CB -0.385 38.515 39.000 -0.167 0.000 1.040 246 F HN 0.045 nan 8.300 nan 0.000 0.505 247 G N -0.537 108.321 108.800 0.096 0.000 2.471 247 G HA2 -0.174 3.785 3.960 -0.000 0.000 0.219 247 G HA3 -0.174 3.785 3.960 -0.000 0.000 0.219 247 G C 1.370 176.264 174.900 -0.010 0.000 1.125 247 G CA 0.270 45.390 45.100 0.033 0.000 0.775 247 G HN 0.258 nan 8.290 nan 0.000 0.548 248 K N 0.252 120.637 120.400 -0.026 0.000 2.493 248 K HA 0.304 4.624 4.320 -0.000 0.000 0.207 248 K C -0.034 176.520 176.600 -0.077 0.000 1.033 248 K CA -0.297 55.962 56.287 -0.047 0.000 1.161 248 K CB 0.558 33.036 32.500 -0.037 0.000 0.873 248 K HN 0.280 nan 8.250 nan 0.000 0.491 249 I N 1.915 122.427 120.570 -0.096 0.000 2.529 249 I HA 0.015 4.184 4.170 -0.000 0.000 0.284 249 I C 0.048 176.106 176.117 -0.097 0.000 1.082 249 I CA -0.722 60.505 61.300 -0.122 0.000 1.406 249 I CB 0.586 38.489 38.000 -0.160 0.000 1.405 249 I HN -0.026 nan 8.210 nan 0.000 0.548 250 L N 7.265 128.433 121.223 -0.091 0.000 2.283 250 L HA 0.213 4.553 4.340 -0.000 0.000 0.287 250 L C 0.529 177.353 176.870 -0.077 0.000 1.073 250 L CA 0.427 55.218 54.840 -0.081 0.000 0.822 250 L CB 0.688 42.707 42.059 -0.066 0.000 1.186 250 L HN 0.593 nan 8.230 nan 0.000 0.436 251 L N 3.513 124.684 121.223 -0.087 0.000 2.168 251 L HA 0.202 4.542 4.340 -0.000 0.000 0.203 251 L C 0.892 177.728 176.870 -0.058 0.000 1.078 251 L CA 0.718 55.514 54.840 -0.073 0.000 0.780 251 L CB -0.089 41.915 42.059 -0.092 0.000 0.939 251 L HN 0.556 nan 8.230 nan 0.000 0.451 252 K N -0.923 119.434 120.400 -0.071 0.000 2.548 252 K HA 0.519 4.839 4.320 -0.000 0.000 0.282 252 K C -1.788 174.789 176.600 -0.038 0.000 1.006 252 K CA -0.626 55.636 56.287 -0.042 0.000 0.892 252 K CB 2.644 35.127 32.500 -0.028 0.000 1.499 252 K HN -0.292 nan 8.250 nan 0.000 0.433 253 V N 0.600 120.507 119.914 -0.012 0.000 2.443 253 V HA 0.330 4.450 4.120 -0.000 0.000 0.272 253 V C -0.686 175.420 176.094 0.020 0.000 1.002 253 V CA -1.113 61.185 62.300 -0.002 0.000 0.840 253 V CB 0.728 32.546 31.823 -0.007 0.000 1.042 253 V HN 0.700 nan 8.190 nan 0.000 0.446 254 N N 3.157 121.883 118.700 0.044 0.000 2.458 254 N HA 0.183 4.923 4.740 -0.000 0.000 0.258 254 N C 1.375 176.908 175.510 0.039 0.000 1.219 254 N CA 0.470 53.556 53.050 0.060 0.000 0.902 254 N CB 0.944 39.497 38.487 0.109 0.000 1.076 254 N HN 0.876 nan 8.380 nan 0.000 0.455 255 Q N 1.684 121.502 119.800 0.030 0.000 2.527 255 Q HA -0.422 3.918 4.340 -0.000 0.000 0.231 255 Q C 0.607 176.617 176.000 0.016 0.000 1.114 255 Q CA 2.453 58.267 55.803 0.019 0.000 1.008 255 Q CB -0.810 27.938 28.738 0.016 0.000 1.007 255 Q HN 0.820 nan 8.270 nan 0.000 0.546 256 D N 0.284 120.695 120.400 0.019 0.000 2.323 256 D HA 0.110 4.750 4.640 -0.000 0.000 0.239 256 D C 1.180 177.489 176.300 0.015 0.000 1.129 256 D CA 0.711 54.721 54.000 0.015 0.000 0.865 256 D CB 0.002 40.811 40.800 0.015 0.000 0.913 256 D HN 0.773 nan 8.370 nan 0.000 0.517 257 G N 0.834 109.643 108.800 0.015 0.000 2.176 257 G HA2 -0.321 3.638 3.960 -0.000 0.000 0.253 257 G HA3 -0.321 3.638 3.960 -0.000 0.000 0.253 257 G C 0.390 175.298 174.900 0.013 0.000 0.979 257 G CA 0.373 45.480 45.100 0.011 0.000 0.641 257 G HN 0.763 nan 8.290 nan 0.000 0.530 258 S N 0.314 116.030 115.700 0.025 0.000 2.549 258 S HA 0.609 5.079 4.470 -0.000 0.000 0.283 258 S C 0.363 174.974 174.600 0.019 0.000 1.320 258 S CA -0.293 57.926 58.200 0.033 0.000 1.058 258 S CB 1.272 64.511 63.200 0.065 0.000 0.882 258 S HN 0.522 nan 8.310 nan 0.000 0.498 259 R N 1.889 122.387 120.500 -0.003 0.000 2.265 259 R HA 0.441 4.781 4.340 -0.000 0.000 0.319 259 R C -1.042 175.203 176.300 -0.091 0.000 1.006 259 R CA -0.706 55.371 56.100 -0.039 0.000 0.880 259 R CB 1.363 31.639 30.300 -0.040 0.000 1.077 259 R HN 0.545 nan 8.270 nan 0.000 0.454 260 V N 5.862 125.680 119.914 -0.160 0.000 2.406 260 V HA 0.289 4.409 4.120 -0.000 0.000 0.272 260 V C 0.488 176.430 176.094 -0.254 0.000 1.043 260 V CA -0.405 61.682 62.300 -0.356 0.000 0.915 260 V CB 0.837 32.339 31.823 -0.536 0.000 0.988 260 V HN 0.565 nan 8.190 nan 0.000 0.466 261 L N 3.795 124.876 121.223 -0.237 0.000 2.335 261 L HA 0.442 4.782 4.340 -0.000 0.000 0.268 261 L C 1.115 177.897 176.870 -0.146 0.000 1.016 261 L CA -0.785 53.965 54.840 -0.151 0.000 0.805 261 L CB 1.205 43.204 42.059 -0.099 0.000 1.311 261 L HN 0.478 nan 8.230 nan 0.000 0.456 262 L N 1.111 122.280 121.223 -0.090 0.000 2.217 262 L HA -0.069 4.271 4.340 -0.000 0.000 0.211 262 L C 2.549 179.399 176.870 -0.034 0.000 1.107 262 L CA 1.532 56.339 54.840 -0.056 0.000 0.783 262 L CB -0.768 41.277 42.059 -0.023 0.000 0.919 262 L HN 0.678 nan 8.230 nan 0.000 0.442 263 R N -0.622 119.860 120.500 -0.031 0.000 2.119 263 R HA -0.115 4.225 4.340 -0.000 0.000 0.222 263 R C 1.282 177.572 176.300 -0.016 0.000 1.088 263 R CA 1.543 57.637 56.100 -0.009 0.000 0.984 263 R CB -0.662 29.638 30.300 -0.001 0.000 0.884 263 R HN 0.329 nan 8.270 nan 0.000 0.447 264 D N 0.950 121.314 120.400 -0.060 0.000 2.219 264 D HA -0.109 4.531 4.640 -0.000 0.000 0.205 264 D C 1.755 178.033 176.300 -0.038 0.000 0.970 264 D CA 1.424 55.385 54.000 -0.065 0.000 0.851 264 D CB 0.236 40.932 40.800 -0.173 0.000 0.943 264 D HN 0.315 nan 8.370 nan 0.000 0.488 265 V N -2.490 117.385 119.914 -0.064 0.000 3.565 265 V HA 0.595 4.715 4.120 -0.000 0.000 0.260 265 V C 0.365 176.468 176.094 0.016 0.000 1.231 265 V CA 0.639 62.933 62.300 -0.010 0.000 1.100 265 V CB 0.264 32.064 31.823 -0.039 0.000 0.807 265 V HN 0.054 nan 8.190 nan 0.000 0.454 266 A N 0.022 122.856 122.820 0.024 0.000 2.574 266 A HA 0.606 4.926 4.320 -0.000 0.000 0.297 266 A C -0.672 176.961 177.584 0.082 0.000 1.062 266 A CA -0.789 51.285 52.037 0.062 0.000 0.686 266 A CB 1.411 20.445 19.000 0.056 0.000 1.285 266 A HN 0.270 nan 8.150 nan 0.000 0.403 267 K N 0.958 121.448 120.400 0.149 0.000 2.237 267 K HA 0.577 4.896 4.320 -0.000 0.000 0.270 267 K C -1.110 175.587 176.600 0.162 0.000 1.015 267 K CA -0.019 56.375 56.287 0.178 0.000 0.949 267 K CB 0.299 32.953 32.500 0.257 0.000 0.976 267 K HN 0.571 nan 8.250 nan 0.000 0.472 268 I N 4.731 125.365 120.570 0.106 0.000 2.542 268 I HA 0.132 4.302 4.170 -0.000 0.000 0.278 268 I C -0.515 175.614 176.117 0.020 0.000 1.069 268 I CA -0.527 60.781 61.300 0.013 0.000 1.100 268 I CB 1.465 39.455 38.000 -0.017 0.000 1.204 268 I HN 0.702 nan 8.210 nan 0.000 0.470 269 E N 5.892 126.121 120.200 0.050 0.000 2.299 269 E HA 0.522 4.872 4.350 -0.000 0.000 0.265 269 E C -1.484 175.080 176.600 -0.061 0.000 0.911 269 E CA -1.033 55.391 56.400 0.039 0.000 0.789 269 E CB 2.973 32.766 29.700 0.155 0.000 1.246 269 E HN 0.257 nan 8.360 nan 0.000 0.427 270 L N 2.246 123.381 121.223 -0.147 0.000 2.268 270 L HA 0.592 4.931 4.340 -0.000 0.000 0.289 270 L C -0.279 176.358 176.870 -0.388 0.000 1.064 270 L CA 0.434 55.074 54.840 -0.333 0.000 0.824 270 L CB 0.315 42.096 42.059 -0.464 0.000 1.202 270 L HN 0.763 nan 8.230 nan 0.000 0.433 271 G N 2.654 111.389 108.800 -0.109 0.000 2.708 271 G HA2 0.564 4.524 3.960 -0.000 0.000 0.289 271 G HA3 0.564 4.524 3.960 -0.000 0.000 0.289 271 G C -0.457 174.605 174.900 0.270 0.000 1.416 271 G CA -0.361 44.873 45.100 0.224 0.000 0.829 271 G HN 0.799 nan 8.290 nan 0.000 0.480 272 G N -1.012 107.838 108.800 0.084 0.000 2.562 272 G HA2 0.338 4.298 3.960 -0.000 0.000 0.233 272 G HA3 0.338 4.298 3.960 -0.000 0.000 0.233 272 G C 0.802 175.564 174.900 -0.229 0.000 1.266 272 G CA 0.602 45.580 45.100 -0.205 0.000 0.852 272 G HN 0.844 nan 8.290 nan 0.000 0.581 273 E N -0.189 119.926 120.200 -0.141 0.000 2.435 273 E HA -0.062 4.288 4.350 -0.000 0.000 0.195 273 E C 0.459 176.887 176.600 -0.286 0.000 1.029 273 E CA 0.146 56.442 56.400 -0.174 0.000 0.865 273 E CB 0.176 29.874 29.700 -0.002 0.000 0.833 273 E HN 0.426 nan 8.360 nan 0.000 0.510 274 N N -0.179 118.360 118.700 -0.267 0.000 2.599 274 N HA 0.021 4.761 4.740 -0.000 0.000 0.283 274 N C -1.359 174.040 175.510 -0.186 0.000 1.160 274 N CA -0.425 52.527 53.050 -0.164 0.000 0.869 274 N CB 0.857 39.262 38.487 -0.138 0.000 1.448 274 N HN -0.006 nan 8.380 nan 0.000 0.535 275 Y N 1.286 121.585 120.300 -0.002 0.000 2.495 275 Y HA 0.213 4.762 4.550 -0.000 0.000 0.293 275 Y C 1.556 177.451 175.900 -0.008 0.000 1.186 275 Y CA -0.325 57.782 58.100 0.012 0.000 1.266 275 Y CB 0.289 38.772 38.460 0.039 0.000 1.101 275 Y HN 0.483 nan 8.280 nan 0.000 0.517 276 D N 0.893 121.343 120.400 0.083 0.000 2.219 276 D HA -0.042 4.598 4.640 -0.000 0.000 0.205 276 D C 0.257 176.569 176.300 0.020 0.000 0.970 276 D CA 1.202 55.228 54.000 0.044 0.000 0.851 276 D CB 0.249 41.053 40.800 0.007 0.000 0.943 276 D HN 0.358 nan 8.370 nan 0.000 0.488 277 I N -1.334 119.232 120.570 -0.008 0.000 2.582 277 I HA 0.419 4.589 4.170 -0.000 0.000 0.292 277 I C -1.176 174.936 176.117 -0.009 0.000 1.066 277 I CA -1.526 59.765 61.300 -0.014 0.000 1.053 277 I CB 1.985 39.948 38.000 -0.062 0.000 1.241 277 I HN -0.276 nan 8.210 nan 0.000 0.421 278 I N 2.507 123.078 120.570 0.001 0.000 2.610 278 I HA 0.939 5.109 4.170 -0.000 0.000 0.289 278 I C -0.289 175.803 176.117 -0.041 0.000 1.163 278 I CA -1.242 60.053 61.300 -0.008 0.000 1.044 278 I CB 1.498 39.502 38.000 0.007 0.000 1.251 278 I HN 0.843 nan 8.210 nan 0.000 0.424 279 A N 3.618 126.396 122.820 -0.071 0.000 2.325 279 A HA 0.930 5.250 4.320 -0.000 0.000 0.333 279 A C -0.513 176.920 177.584 -0.253 0.000 1.155 279 A CA -0.447 51.462 52.037 -0.213 0.000 0.814 279 A CB 0.953 19.759 19.000 -0.322 0.000 1.206 279 A HN 0.749 nan 8.150 nan 0.000 0.482 280 E N -0.276 119.735 120.200 -0.316 0.000 2.244 280 E HA 0.572 4.921 4.350 -0.000 0.000 0.266 280 E C -1.638 174.809 176.600 -0.255 0.000 0.914 280 E CA -0.283 55.989 56.400 -0.214 0.000 0.794 280 E CB 2.093 31.718 29.700 -0.124 0.000 1.210 280 E HN 0.463 nan 8.360 nan 0.000 0.414 281 F N 3.591 123.409 119.950 -0.219 0.000 2.434 281 F HA 0.372 4.899 4.527 -0.000 0.000 0.367 281 F C -0.457 175.340 175.800 -0.005 0.000 1.093 281 F CA -0.864 57.092 58.000 -0.072 0.000 1.085 281 F CB 0.184 39.221 39.000 0.062 0.000 1.322 281 F HN 0.426 nan 8.300 nan 0.000 0.452 282 N N 4.079 122.557 118.700 -0.370 0.000 2.740 282 N HA -0.195 4.545 4.740 -0.000 0.000 0.248 282 N C 0.902 176.321 175.510 -0.150 0.000 1.062 282 N CA 1.193 54.060 53.050 -0.305 0.000 0.704 282 N CB -1.286 36.908 38.487 -0.489 0.000 0.968 282 N HN 1.333 nan 8.380 nan 0.000 0.547 283 G N -0.487 108.263 108.800 -0.082 0.000 2.198 283 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.260 283 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.260 283 G C -0.211 174.669 174.900 -0.033 0.000 1.025 283 G CA 0.766 45.842 45.100 -0.040 0.000 0.769 283 G HN 0.616 nan 8.290 nan 0.000 0.507 284 Q N -0.123 119.665 119.800 -0.020 0.000 2.365 284 Q HA 0.508 4.848 4.340 -0.000 0.000 0.269 284 Q C -2.553 173.462 176.000 0.026 0.000 1.061 284 Q CA -2.347 53.468 55.803 0.020 0.000 0.816 284 Q CB 2.817 31.597 28.738 0.069 0.000 1.325 284 Q HN 0.167 nan 8.270 nan 0.000 0.446 285 P HA 0.224 nan 4.420 nan 0.000 0.276 285 P C -1.612 175.693 177.300 0.009 0.000 1.253 285 P CA 0.119 63.220 63.100 0.002 0.000 0.766 285 P CB 0.893 32.595 31.700 0.004 0.000 0.845 286 A N 2.181 124.992 122.820 -0.015 0.000 2.604 286 A HA 0.640 4.960 4.320 -0.000 0.000 0.295 286 A C -0.526 177.052 177.584 -0.010 0.000 1.067 286 A CA -0.446 51.588 52.037 -0.005 0.000 0.683 286 A CB 1.435 20.456 19.000 0.036 0.000 1.281 286 A HN 0.417 nan 8.150 nan 0.000 0.407 287 S N -0.946 114.773 115.700 0.031 0.000 2.753 287 S HA 0.973 5.442 4.470 -0.000 0.000 0.302 287 S C 0.112 174.809 174.600 0.162 0.000 1.104 287 S CA 0.180 58.434 58.200 0.090 0.000 0.968 287 S CB 1.713 64.936 63.200 0.039 0.000 1.278 287 S HN 2.478 nan 8.310 nan 0.000 0.549 288 G N -0.109 108.787 108.800 0.159 0.000 2.325 288 G HA2 0.372 4.332 3.960 -0.000 0.000 0.297 288 G HA3 0.372 4.332 3.960 -0.000 0.000 0.297 288 G C -2.292 172.637 174.900 0.049 0.000 1.448 288 G CA -0.879 44.235 45.100 0.023 0.000 0.838 288 G HN 0.675 nan 8.290 nan 0.000 0.579 289 L N 1.591 122.781 121.223 -0.056 0.000 2.283 289 L HA 0.541 4.880 4.340 -0.000 0.000 0.281 289 L C 0.990 177.837 176.870 -0.038 0.000 1.033 289 L CA -0.560 54.298 54.840 0.031 0.000 0.848 289 L CB 1.588 43.660 42.059 0.021 0.000 1.226 289 L HN 0.730 nan 8.230 nan 0.000 0.429 290 G N 5.043 113.898 108.800 0.092 0.000 2.807 290 G HA2 0.443 4.403 3.960 -0.000 0.000 0.316 290 G HA3 0.443 4.403 3.960 -0.000 0.000 0.316 290 G C -0.081 174.978 174.900 0.264 0.000 0.900 290 G CA -0.368 44.712 45.100 -0.033 0.000 1.499 290 G HN 0.409 nan 8.290 nan 0.000 0.484 291 I N 1.386 122.101 120.570 0.241 0.000 2.588 291 I HA 0.247 4.417 4.170 -0.000 0.000 0.283 291 I C 0.640 177.015 176.117 0.431 0.000 1.119 291 I CA 0.029 61.505 61.300 0.293 0.000 1.419 291 I CB 1.284 39.395 38.000 0.184 0.000 1.394 291 I HN 0.449 nan 8.210 nan 0.000 0.562 292 K N 6.609 127.220 120.400 0.352 0.000 2.318 292 K HA 0.567 4.886 4.320 -0.000 0.000 0.249 292 K C -1.023 175.670 176.600 0.154 0.000 0.942 292 K CA -0.784 55.651 56.287 0.247 0.000 0.808 292 K CB 1.529 34.115 32.500 0.143 0.000 1.189 292 K HN 0.478 nan 8.250 nan 0.000 0.428 293 L N 1.508 122.803 121.223 0.119 0.000 2.475 293 L HA 0.329 4.668 4.340 -0.000 0.000 0.250 293 L C 0.218 177.134 176.870 0.077 0.000 1.224 293 L CA -0.035 54.864 54.840 0.098 0.000 0.821 293 L CB 1.290 43.405 42.059 0.094 0.000 1.141 293 L HN 1.061 nan 8.230 nan 0.000 0.494 294 A N 0.143 123.003 122.820 0.066 0.000 2.911 294 A HA 0.312 4.632 4.320 -0.000 0.000 0.304 294 A C 0.422 178.031 177.584 0.042 0.000 1.144 294 A CA -0.108 51.960 52.037 0.052 0.000 0.988 294 A CB -0.275 18.753 19.000 0.048 0.000 1.141 294 A HN 0.823 nan 8.150 nan 0.000 0.552 295 T N -0.506 114.075 114.554 0.045 0.000 3.803 295 T HA -0.140 4.209 4.350 -0.000 0.000 0.376 295 T C 1.317 176.037 174.700 0.033 0.000 0.761 295 T CA 1.696 63.819 62.100 0.038 0.000 1.962 295 T CB -1.781 67.104 68.868 0.029 0.000 1.780 295 T HN 2.189 nan 8.240 nan 0.000 0.771 296 G N -1.244 107.582 108.800 0.043 0.000 2.551 296 G HA2 0.301 4.261 3.960 -0.000 0.000 0.186 296 G HA3 0.301 4.261 3.960 -0.000 0.000 0.186 296 G C 0.388 175.315 174.900 0.045 0.000 1.002 296 G CA 0.393 45.518 45.100 0.041 0.000 0.723 296 G HN 1.659 nan 8.290 nan 0.000 0.481 297 A N 0.432 123.279 122.820 0.046 0.000 2.521 297 A HA 0.426 4.746 4.320 -0.000 0.000 0.237 297 A C 0.977 178.594 177.584 0.056 0.000 1.087 297 A CA 0.922 52.989 52.037 0.049 0.000 0.777 297 A CB 0.029 19.061 19.000 0.053 0.000 1.035 297 A HN 0.403 nan 8.150 nan 0.000 0.510 298 N N 0.995 119.727 118.700 0.052 0.000 2.346 298 N HA 0.268 5.008 4.740 -0.000 0.000 0.225 298 N C 1.297 176.843 175.510 0.059 0.000 1.144 298 N CA 0.624 53.706 53.050 0.054 0.000 0.837 298 N CB -0.087 38.425 38.487 0.043 0.000 1.069 298 N HN 0.864 nan 8.380 nan 0.000 0.487 299 A N 1.977 124.839 122.820 0.070 0.000 5.121 299 A HA -0.344 3.976 4.320 -0.000 0.000 0.365 299 A C 1.753 179.379 177.584 0.070 0.000 1.564 299 A CA 2.167 54.252 52.037 0.079 0.000 0.686 299 A CB -1.528 17.527 19.000 0.092 0.000 1.542 299 A HN 0.416 nan 8.150 nan 0.000 0.421 300 L N -0.221 121.040 121.223 0.063 0.000 2.127 300 L HA -0.129 4.211 4.340 -0.000 0.000 0.211 300 L C 1.716 178.611 176.870 0.042 0.000 1.089 300 L CA 3.297 58.168 54.840 0.052 0.000 0.757 300 L CB -0.700 41.384 42.059 0.041 0.000 0.899 300 L HN 0.589 nan 8.230 nan 0.000 0.434 301 D N -0.566 119.857 120.400 0.038 0.000 2.117 301 D HA -0.151 4.488 4.640 -0.000 0.000 0.198 301 D C 2.129 178.452 176.300 0.038 0.000 0.982 301 D CA 1.792 55.811 54.000 0.032 0.000 0.828 301 D CB -0.358 40.459 40.800 0.028 0.000 0.967 301 D HN 0.363 nan 8.370 nan 0.000 0.464 302 T N -0.071 114.511 114.554 0.048 0.000 2.684 302 T HA -0.176 4.173 4.350 -0.000 0.000 0.267 302 T C 1.884 176.619 174.700 0.060 0.000 1.036 302 T CA 1.615 63.748 62.100 0.054 0.000 1.148 302 T CB -0.354 68.553 68.868 0.064 0.000 0.863 302 T HN 0.202 nan 8.240 nan 0.000 0.436 303 A N 0.618 123.477 122.820 0.065 0.000 2.119 303 A HA 0.388 4.708 4.320 -0.000 0.000 0.217 303 A C 2.459 180.075 177.584 0.052 0.000 1.153 303 A CA 1.402 53.480 52.037 0.069 0.000 0.692 303 A CB -0.642 18.403 19.000 0.076 0.000 0.799 303 A HN 0.496 nan 8.150 nan 0.000 0.458 304 A N -0.118 122.726 122.820 0.040 0.000 1.872 304 A HA 0.287 4.607 4.320 -0.000 0.000 0.214 304 A C 2.211 179.812 177.584 0.030 0.000 1.187 304 A CA 1.554 53.607 52.037 0.026 0.000 0.614 304 A CB -0.661 18.350 19.000 0.018 0.000 0.826 304 A HN 1.021 nan 8.150 nan 0.000 0.442 305 A N -1.058 121.783 122.820 0.035 0.000 2.307 305 A HA 0.397 4.717 4.320 -0.000 0.000 0.218 305 A C 1.680 179.292 177.584 0.047 0.000 1.228 305 A CA 0.083 52.142 52.037 0.036 0.000 0.857 305 A CB -0.494 18.525 19.000 0.031 0.000 0.897 305 A HN 0.455 nan 8.150 nan 0.000 0.495 306 I N -1.061 119.544 120.570 0.058 0.000 2.439 306 I HA -0.125 4.045 4.170 -0.000 0.000 0.251 306 I C 2.430 178.596 176.117 0.081 0.000 1.139 306 I CA 0.991 62.334 61.300 0.073 0.000 1.438 306 I CB 0.059 38.111 38.000 0.087 0.000 1.085 306 I HN 0.236 nan 8.210 nan 0.000 0.427 307 R N 1.184 121.728 120.500 0.074 0.000 2.297 307 R HA 0.139 4.479 4.340 -0.000 0.000 0.197 307 R C 1.729 178.061 176.300 0.053 0.000 0.943 307 R CA 0.952 57.098 56.100 0.076 0.000 1.038 307 R CB -0.333 29.998 30.300 0.053 0.000 0.957 307 R HN 0.275 nan 8.270 nan 0.000 0.484 308 A N 0.027 122.873 122.820 0.043 0.000 1.855 308 A HA -0.020 4.300 4.320 -0.000 0.000 0.213 308 A C 1.948 179.556 177.584 0.040 0.000 1.195 308 A CA 1.173 53.231 52.037 0.034 0.000 0.610 308 A CB -0.446 18.570 19.000 0.028 0.000 0.837 308 A HN 0.293 nan 8.150 nan 0.000 0.444 309 E N 0.009 120.236 120.200 0.046 0.000 2.051 309 E HA -0.145 4.204 4.350 -0.000 0.000 0.192 309 E C 1.909 178.547 176.600 0.062 0.000 0.991 309 E CA 1.197 57.627 56.400 0.050 0.000 0.799 309 E CB -0.435 29.293 29.700 0.047 0.000 0.748 309 E HN 0.517 nan 8.360 nan 0.000 0.449 310 L N -0.476 120.790 121.223 0.073 0.000 2.191 310 L HA -0.134 4.206 4.340 -0.000 0.000 0.212 310 L C 2.059 178.965 176.870 0.060 0.000 1.103 310 L CA 1.490 56.385 54.840 0.091 0.000 0.769 310 L CB -0.248 41.879 42.059 0.114 0.000 0.908 310 L HN 0.199 nan 8.230 nan 0.000 0.438 311 A N -0.384 122.461 122.820 0.041 0.000 1.930 311 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 311 A C 2.127 179.700 177.584 -0.018 0.000 1.175 311 A CA 1.303 53.342 52.037 0.004 0.000 0.627 311 A CB -0.285 18.720 19.000 0.008 0.000 0.815 311 A HN 0.318 nan 8.150 nan 0.000 0.443 312 K N -0.929 119.489 120.400 0.030 0.000 2.366 312 K HA 0.104 4.424 4.320 -0.000 0.000 0.198 312 K C 1.608 178.296 176.600 0.148 0.000 1.044 312 K CA 0.856 57.192 56.287 0.082 0.000 0.973 312 K CB -0.337 32.226 32.500 0.104 0.000 0.767 312 K HN 0.523 nan 8.250 nan 0.000 0.475 313 M N 0.820 120.472 119.600 0.087 0.000 2.236 313 M HA -0.070 4.409 4.480 -0.000 0.000 0.266 313 M C 1.722 177.872 176.300 -0.250 0.000 1.070 313 M CA 1.281 56.666 55.300 0.142 0.000 1.137 313 M CB -0.054 32.690 32.600 0.240 0.000 1.378 313 M HN 0.088 nan 8.290 nan 0.000 0.426 314 E N 0.149 119.997 120.200 -0.586 0.000 2.086 314 E HA -0.236 4.114 4.350 -0.000 0.000 0.200 314 E C -0.732 175.294 176.600 -0.956 0.000 1.012 314 E CA 1.515 57.201 56.400 -1.190 0.000 0.812 314 E CB -1.731 27.648 29.700 -0.535 0.000 0.743 314 E HN 0.429 nan 8.360 nan 0.000 0.453 315 P HA -0.141 nan 4.420 nan 0.000 0.218 315 P C 0.436 177.404 177.300 -0.553 0.000 1.149 315 P CA 1.132 63.861 63.100 -0.618 0.000 0.817 315 P CB -0.096 31.092 31.700 -0.852 0.000 0.785 316 F N -2.199 117.735 119.950 -0.027 0.000 2.798 316 F HA 0.237 4.763 4.527 -0.000 0.000 0.291 316 F C 0.597 176.616 175.800 0.366 0.000 1.174 316 F CA -0.673 57.411 58.000 0.140 0.000 1.392 316 F CB -0.697 38.391 39.000 0.147 0.000 0.966 316 F HN -0.232 nan 8.300 nan 0.000 0.509 317 F N 1.769 121.822 119.950 0.171 0.000 2.384 317 F HA 0.426 4.953 4.527 -0.000 0.000 0.338 317 F C -1.310 174.475 175.800 -0.025 0.000 1.103 317 F CA -3.919 54.136 58.000 0.091 0.000 1.157 317 F CB -0.036 38.997 39.000 0.055 0.000 1.167 317 F HN -0.057 nan 8.300 nan 0.000 0.529 318 P HA -0.034 nan 4.420 nan 0.000 0.272 318 P C -0.477 176.809 177.300 -0.023 0.000 1.243 318 P CA -0.297 62.758 63.100 -0.075 0.000 0.803 318 P CB 0.368 31.918 31.700 -0.251 0.000 0.974 319 S N -0.323 115.363 115.700 -0.022 0.000 2.498 319 S HA 0.387 4.857 4.470 -0.000 0.000 0.281 319 S C 1.245 175.835 174.600 -0.016 0.000 1.265 319 S CA 0.782 58.980 58.200 -0.003 0.000 1.071 319 S CB -1.342 61.858 63.200 -0.000 0.000 0.894 319 S HN 0.826 nan 8.310 nan 0.000 0.491 320 G N 4.020 112.824 108.800 0.008 0.000 2.254 320 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.225 320 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.225 320 G C 0.136 175.040 174.900 0.006 0.000 1.003 320 G CA -0.128 44.976 45.100 0.006 0.000 0.622 320 G HN 0.689 nan 8.290 nan 0.000 0.507 321 L N 1.709 122.923 121.223 -0.016 0.000 2.565 321 L HA 0.415 4.755 4.340 -0.000 0.000 0.275 321 L C 0.507 177.454 176.870 0.129 0.000 1.137 321 L CA 0.735 55.543 54.840 -0.054 0.000 0.915 321 L CB 0.611 42.488 42.059 -0.304 0.000 1.232 321 L HN 0.432 nan 8.230 nan 0.000 0.473 322 K N 5.006 125.454 120.400 0.079 0.000 2.375 322 K HA 0.538 4.858 4.320 -0.000 0.000 0.249 322 K C -0.767 175.866 176.600 0.055 0.000 0.942 322 K CA -0.772 55.586 56.287 0.120 0.000 0.806 322 K CB 1.917 34.464 32.500 0.079 0.000 1.227 322 K HN 0.420 nan 8.250 nan 0.000 0.430 323 I N 3.543 124.152 120.570 0.065 0.000 2.440 323 I HA 0.307 4.477 4.170 -0.000 0.000 0.294 323 I C -0.221 175.770 176.117 -0.210 0.000 0.995 323 I CA -0.860 60.379 61.300 -0.103 0.000 1.306 323 I CB 1.558 39.509 38.000 -0.083 0.000 1.407 323 I HN 0.389 nan 8.210 nan 0.000 0.501 324 V N 6.726 126.375 119.914 -0.441 0.000 3.040 324 V HA 0.453 4.573 4.120 -0.000 0.000 0.312 324 V C -1.609 174.108 176.094 -0.630 0.000 1.115 324 V CA -0.425 61.631 62.300 -0.406 0.000 0.998 324 V CB 2.728 34.246 31.823 -0.509 0.000 1.042 324 V HN 0.541 nan 8.190 nan 0.000 0.433 325 Y N 4.624 124.848 120.300 -0.127 0.000 2.705 325 Y HA 0.527 5.077 4.550 -0.000 0.000 0.355 325 Y C -2.195 173.674 175.900 -0.052 0.000 1.039 325 Y CA -1.764 56.277 58.100 -0.098 0.000 1.233 325 Y CB 0.934 39.368 38.460 -0.044 0.000 1.103 325 Y HN 0.551 nan 8.280 nan 0.000 0.624 326 P HA 0.127 nan 4.420 nan 0.000 0.297 326 P C -0.751 176.586 177.300 0.062 0.000 1.307 326 P CA -0.824 62.320 63.100 0.073 0.000 0.773 326 P CB 0.645 32.401 31.700 0.093 0.000 1.265 327 Y N 0.453 120.713 120.300 -0.067 0.000 2.902 327 Y HA -0.255 4.295 4.550 -0.000 0.000 0.196 327 Y C -0.304 175.549 175.900 -0.079 0.000 1.505 327 Y CA 1.133 59.163 58.100 -0.117 0.000 1.007 327 Y CB -1.106 37.200 38.460 -0.258 0.000 1.550 327 Y HN 0.419 nan 8.280 nan 0.000 0.326 328 D N 1.978 122.306 120.400 -0.119 0.000 2.934 328 D HA 0.313 4.952 4.640 -0.000 0.000 0.230 328 D C 0.053 176.310 176.300 -0.072 0.000 1.204 328 D CA -0.349 53.635 54.000 -0.028 0.000 0.873 328 D CB 1.916 42.747 40.800 0.052 0.000 1.645 328 D HN 0.101 nan 8.370 nan 0.000 0.502 329 T N 1.322 115.871 114.554 -0.008 0.000 3.037 329 T HA 0.023 4.372 4.350 -0.000 0.000 0.252 329 T C 1.634 176.401 174.700 0.111 0.000 1.073 329 T CA 0.943 63.061 62.100 0.030 0.000 1.091 329 T CB -0.054 68.843 68.868 0.048 0.000 0.935 329 T HN 0.554 nan 8.240 nan 0.000 0.488 330 T N 2.864 117.467 114.554 0.082 0.000 2.620 330 T HA -0.106 4.244 4.350 -0.000 0.000 0.267 330 T C -0.782 173.982 174.700 0.107 0.000 1.044 330 T CA 1.820 63.966 62.100 0.077 0.000 1.161 330 T CB -0.807 68.080 68.868 0.032 0.000 0.862 330 T HN 0.413 nan 8.240 nan 0.000 0.438 331 P HA 0.018 nan 4.420 nan 0.000 0.229 331 P C 1.204 178.666 177.300 0.270 0.000 1.160 331 P CA 0.635 63.836 63.100 0.169 0.000 0.777 331 P CB -0.217 31.581 31.700 0.164 0.000 0.814 332 F N 0.800 120.840 119.950 0.149 0.000 2.186 332 F HA -0.118 4.409 4.527 -0.000 0.000 0.299 332 F C 2.190 178.014 175.800 0.040 0.000 1.090 332 F CA 0.974 59.066 58.000 0.154 0.000 1.307 332 F CB -0.704 38.389 39.000 0.155 0.000 1.019 332 F HN -0.308 nan 8.300 nan 0.000 0.489 333 V N -0.007 119.965 119.914 0.096 0.000 2.343 333 V HA -0.304 3.816 4.120 -0.000 0.000 0.247 333 V C 2.360 178.418 176.094 -0.060 0.000 1.051 333 V CA 2.054 64.341 62.300 -0.023 0.000 1.036 333 V CB -0.514 31.324 31.823 0.025 0.000 0.654 333 V HN 0.180 nan 8.190 nan 0.000 0.451 334 K N -0.890 119.508 120.400 -0.004 0.000 2.280 334 K HA -0.103 4.217 4.320 -0.000 0.000 0.202 334 K C 1.749 178.342 176.600 -0.012 0.000 1.047 334 K CA 1.086 57.377 56.287 0.006 0.000 0.942 334 K CB -0.097 32.427 32.500 0.041 0.000 0.739 334 K HN 0.313 nan 8.250 nan 0.000 0.457 335 I N -0.253 120.259 120.570 -0.097 0.000 2.703 335 I HA -0.102 4.068 4.170 -0.000 0.000 0.259 335 I C 1.311 177.249 176.117 -0.297 0.000 1.151 335 I CA 1.064 62.236 61.300 -0.213 0.000 1.470 335 I CB 0.286 38.074 38.000 -0.353 0.000 1.112 335 I HN -0.112 nan 8.210 nan 0.000 0.437 336 S N -0.106 115.388 115.700 -0.343 0.000 2.603 336 S HA 0.201 4.671 4.470 -0.000 0.000 0.220 336 S C 1.701 176.215 174.600 -0.144 0.000 0.967 336 S CA 0.553 58.573 58.200 -0.300 0.000 0.920 336 S CB -0.059 62.898 63.200 -0.404 0.000 0.773 336 S HN 0.337 nan 8.310 nan 0.000 0.529 337 I N -0.223 120.291 120.570 -0.093 0.000 3.443 337 I HA 0.081 4.251 4.170 -0.000 0.000 0.277 337 I C 1.927 178.057 176.117 0.022 0.000 1.169 337 I CA 0.431 61.717 61.300 -0.024 0.000 1.419 337 I CB -0.135 37.857 38.000 -0.014 0.000 1.331 337 I HN 0.223 nan 8.210 nan 0.000 0.458 338 H N 1.513 120.534 119.070 -0.082 0.000 2.556 338 H HA 0.093 4.648 4.556 -0.000 0.000 0.268 338 H C 1.223 176.498 175.328 -0.088 0.000 0.996 338 H CA 1.063 57.067 56.048 -0.073 0.000 1.157 338 H CB 0.097 29.821 29.762 -0.063 0.000 1.355 338 H HN 0.313 nan 8.280 nan 0.000 0.597 339 E N -1.174 118.890 120.200 -0.228 0.000 2.641 339 E HA 0.095 4.445 4.350 -0.000 0.000 0.224 339 E C 1.035 177.543 176.600 -0.154 0.000 0.951 339 E CA 0.177 56.418 56.400 -0.266 0.000 1.102 339 E CB 0.997 30.506 29.700 -0.317 0.000 1.091 339 E HN 0.264 nan 8.360 nan 0.000 0.507 340 V N 0.308 120.172 119.914 -0.084 0.000 2.521 340 V HA -0.099 4.021 4.120 -0.000 0.000 0.239 340 V C 2.065 178.140 176.094 -0.031 0.000 1.053 340 V CA 0.809 63.086 62.300 -0.040 0.000 1.073 340 V CB 0.358 32.206 31.823 0.042 0.000 0.746 340 V HN 0.045 nan 8.190 nan 0.000 0.476 341 V N 0.474 120.389 119.914 0.002 0.000 2.720 341 V HA -0.237 3.882 4.120 -0.000 0.000 0.256 341 V C 2.317 178.414 176.094 0.004 0.000 1.082 341 V CA 2.074 64.386 62.300 0.021 0.000 1.101 341 V CB -0.732 31.118 31.823 0.045 0.000 0.693 341 V HN 0.488 nan 8.190 nan 0.000 0.479 342 K N 0.134 120.525 120.400 -0.016 0.000 2.031 342 K HA -0.104 4.215 4.320 -0.000 0.000 0.205 342 K C 2.302 178.858 176.600 -0.073 0.000 1.049 342 K CA 1.701 57.965 56.287 -0.038 0.000 0.939 342 K CB -0.593 31.847 32.500 -0.100 0.000 0.717 342 K HN 0.341 nan 8.250 nan 0.000 0.438 343 T N 2.355 116.848 114.554 -0.102 0.000 2.635 343 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 343 T C 1.528 176.162 174.700 -0.110 0.000 1.040 343 T CA 1.485 63.510 62.100 -0.125 0.000 1.156 343 T CB -0.402 68.367 68.868 -0.166 0.000 0.863 343 T HN 0.224 nan 8.240 nan 0.000 0.430 344 L N 1.312 122.481 121.223 -0.089 0.000 1.997 344 L HA -0.184 4.156 4.340 -0.000 0.000 0.227 344 L C 2.454 179.286 176.870 -0.064 0.000 1.087 344 L CA 2.163 56.960 54.840 -0.071 0.000 0.797 344 L CB -1.305 40.734 42.059 -0.033 0.000 0.902 344 L HN 0.183 nan 8.230 nan 0.000 0.441 345 V N 0.376 120.260 119.914 -0.049 0.000 2.407 345 V HA -0.271 3.848 4.120 -0.000 0.000 0.248 345 V C 2.615 178.675 176.094 -0.057 0.000 1.055 345 V CA 2.059 64.332 62.300 -0.046 0.000 1.049 345 V CB -0.440 31.362 31.823 -0.034 0.000 0.662 345 V HN 0.531 nan 8.190 nan 0.000 0.455 346 E N -0.063 120.098 120.200 -0.065 0.000 2.204 346 E HA -0.111 4.239 4.350 -0.000 0.000 0.194 346 E C 2.197 178.755 176.600 -0.071 0.000 0.989 346 E CA 1.077 57.437 56.400 -0.067 0.000 0.824 346 E CB -0.251 29.403 29.700 -0.077 0.000 0.756 346 E HN 0.616 nan 8.360 nan 0.000 0.477 347 A N 0.583 123.351 122.820 -0.088 0.000 2.067 347 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 347 A C 1.986 179.530 177.584 -0.068 0.000 1.156 347 A CA 0.649 52.625 52.037 -0.101 0.000 0.683 347 A CB -0.204 18.710 19.000 -0.143 0.000 0.808 347 A HN 0.081 nan 8.150 nan 0.000 0.455 348 I N -0.554 119.987 120.570 -0.049 0.000 2.185 348 I HA -0.137 4.033 4.170 -0.000 0.000 0.235 348 I C 2.218 178.346 176.117 0.019 0.000 1.069 348 I CA 0.754 62.044 61.300 -0.017 0.000 1.354 348 I CB -0.271 37.715 38.000 -0.024 0.000 1.093 348 I HN 0.213 nan 8.210 nan 0.000 0.411 349 I N 0.800 121.359 120.570 -0.017 0.000 2.227 349 I HA -0.369 3.801 4.170 -0.000 0.000 0.250 349 I C 2.349 178.500 176.117 0.057 0.000 1.087 349 I CA 1.884 63.172 61.300 -0.020 0.000 1.352 349 I CB -0.254 37.707 38.000 -0.064 0.000 1.043 349 I HN 0.307 nan 8.210 nan 0.000 0.425 350 L N -0.943 120.297 121.223 0.027 0.000 2.162 350 L HA -0.114 4.226 4.340 -0.000 0.000 0.205 350 L C 2.517 179.413 176.870 0.043 0.000 1.086 350 L CA 0.597 55.455 54.840 0.030 0.000 0.778 350 L CB -0.510 41.540 42.059 -0.015 0.000 0.928 350 L HN 0.038 nan 8.230 nan 0.000 0.446 351 V N 0.106 120.036 119.914 0.028 0.000 2.469 351 V HA -0.340 3.780 4.120 -0.000 0.000 0.251 351 V C 2.280 178.409 176.094 0.057 0.000 1.064 351 V CA 1.982 64.292 62.300 0.017 0.000 1.066 351 V CB -0.446 31.377 31.823 -0.001 0.000 0.667 351 V HN 0.361 nan 8.190 nan 0.000 0.461 352 F N 0.196 120.123 119.950 -0.039 0.000 2.134 352 F HA -0.165 4.362 4.527 -0.000 0.000 0.299 352 F C 1.856 177.662 175.800 0.010 0.000 1.097 352 F CA 1.801 59.780 58.000 -0.035 0.000 1.264 352 F CB -0.016 38.949 39.000 -0.060 0.000 1.001 352 F HN 0.114 nan 8.300 nan 0.000 0.479 353 L N -0.949 120.393 121.223 0.197 0.000 2.240 353 L HA -0.070 4.269 4.340 -0.000 0.000 0.211 353 L C 2.097 179.031 176.870 0.108 0.000 1.106 353 L CA 0.234 55.171 54.840 0.161 0.000 0.793 353 L CB -0.733 41.434 42.059 0.180 0.000 0.927 353 L HN -0.052 nan 8.230 nan 0.000 0.446 354 V N -0.716 119.222 119.914 0.040 0.000 2.667 354 V HA -0.181 3.939 4.120 -0.000 0.000 0.252 354 V C 2.296 178.370 176.094 -0.033 0.000 1.065 354 V CA 1.403 63.697 62.300 -0.010 0.000 1.083 354 V CB -0.267 31.493 31.823 -0.106 0.000 0.692 354 V HN 0.358 nan 8.190 nan 0.000 0.468 355 M N -1.565 117.999 119.600 -0.060 0.000 2.492 355 M HA -0.001 4.479 4.480 -0.000 0.000 0.262 355 M C 1.829 178.133 176.300 0.008 0.000 1.090 355 M CA 1.329 56.586 55.300 -0.071 0.000 1.110 355 M CB -0.344 32.166 32.600 -0.151 0.000 1.407 355 M HN 0.404 nan 8.290 nan 0.000 0.470 356 Y N -0.500 119.720 120.300 -0.134 0.000 2.347 356 Y HA 0.052 4.602 4.550 -0.000 0.000 0.294 356 Y C 1.618 177.578 175.900 0.100 0.000 1.117 356 Y CA 1.238 59.305 58.100 -0.056 0.000 1.184 356 Y CB 0.098 38.506 38.460 -0.087 0.000 1.047 356 Y HN 0.033 nan 8.280 nan 0.000 0.546 357 L N -1.485 119.869 121.223 0.218 0.000 2.201 357 L HA -0.190 4.149 4.340 -0.000 0.000 0.212 357 L C 1.571 178.489 176.870 0.079 0.000 1.105 357 L CA 1.345 56.294 54.840 0.181 0.000 0.775 357 L CB -0.611 41.565 42.059 0.196 0.000 0.913 357 L HN 0.235 nan 8.230 nan 0.000 0.440 358 F N -0.256 119.648 119.950 -0.078 0.000 2.437 358 F HA 0.175 4.701 4.527 -0.000 0.000 0.288 358 F C 0.977 176.798 175.800 0.034 0.000 1.085 358 F CA 0.077 58.038 58.000 -0.065 0.000 1.430 358 F CB 0.220 39.190 39.000 -0.050 0.000 1.120 358 F HN -0.179 nan 8.300 nan 0.000 0.556 359 L N 1.128 122.474 121.223 0.206 0.000 2.342 359 L HA 0.385 4.725 4.340 -0.000 0.000 0.276 359 L C 0.999 177.890 176.870 0.035 0.000 0.997 359 L CA -0.502 54.436 54.840 0.163 0.000 0.838 359 L CB 1.380 43.510 42.059 0.119 0.000 1.224 359 L HN 0.131 nan 8.230 nan 0.000 0.416 360 Q N 1.610 121.455 119.800 0.075 0.000 2.436 360 Q HA -0.004 4.336 4.340 -0.000 0.000 0.209 360 Q C -0.153 175.796 176.000 -0.084 0.000 0.965 360 Q CA 0.546 56.245 55.803 -0.173 0.000 0.910 360 Q CB -0.016 28.775 28.738 0.089 0.000 0.980 360 Q HN 0.697 nan 8.270 nan 0.000 0.491 361 N N 1.197 119.929 118.700 0.054 0.000 2.411 361 N HA -0.057 4.683 4.740 -0.000 0.000 0.265 361 N C -0.146 175.497 175.510 0.221 0.000 1.266 361 N CA 0.062 53.193 53.050 0.134 0.000 0.889 361 N CB 0.346 38.893 38.487 0.100 0.000 1.069 361 N HN 0.197 nan 8.380 nan 0.000 0.476 362 F N 3.860 123.924 119.950 0.190 0.000 2.325 362 F HA -0.047 4.479 4.527 -0.000 0.000 0.299 362 F C 2.450 178.343 175.800 0.156 0.000 1.090 362 F CA 0.990 59.137 58.000 0.245 0.000 1.392 362 F CB 0.252 39.398 39.000 0.243 0.000 1.053 362 F HN 0.487 nan 8.300 nan 0.000 0.521 363 R N 0.244 120.874 120.500 0.216 0.000 2.210 363 R HA 0.200 4.540 4.340 -0.000 0.000 0.203 363 R C 1.878 178.208 176.300 0.050 0.000 1.010 363 R CA 1.023 57.198 56.100 0.125 0.000 1.008 363 R CB -1.164 29.234 30.300 0.164 0.000 0.923 363 R HN 0.274 nan 8.270 nan 0.000 0.469 364 A N 1.307 124.154 122.820 0.046 0.000 1.970 364 A HA -0.057 4.263 4.320 -0.000 0.000 0.216 364 A C 1.686 179.253 177.584 -0.028 0.000 1.170 364 A CA 1.339 53.391 52.037 0.025 0.000 0.645 364 A CB -0.411 18.616 19.000 0.045 0.000 0.816 364 A HN 0.339 nan 8.150 nan 0.000 0.447 365 T N 0.117 114.613 114.554 -0.097 0.000 4.309 365 T HA 0.460 4.810 4.350 -0.000 0.000 0.242 365 T C 0.470 175.007 174.700 -0.271 0.000 1.142 365 T CA 0.218 62.176 62.100 -0.237 0.000 1.042 365 T CB -0.662 67.977 68.868 -0.382 0.000 1.366 365 T HN 0.311 nan 8.240 nan 0.000 0.942 366 L N 1.976 123.138 121.223 -0.100 0.000 2.126 366 L HA 0.222 4.562 4.340 -0.000 0.000 0.236 366 L C 1.763 178.652 176.870 0.032 0.000 1.151 366 L CA 0.272 55.101 54.840 -0.018 0.000 1.286 366 L CB -0.433 41.618 42.059 -0.014 0.000 2.572 366 L HN 0.358 nan 8.230 nan 0.000 0.535 367 I N 2.741 123.332 120.570 0.034 0.000 2.127 367 I HA -0.181 3.988 4.170 -0.000 0.000 0.241 367 I C -0.474 175.659 176.117 0.028 0.000 1.075 367 I CA 1.626 62.956 61.300 0.051 0.000 1.334 367 I CB -1.742 36.291 38.000 0.054 0.000 1.040 367 I HN 0.260 nan 8.210 nan 0.000 0.405 368 P HA -0.062 nan 4.420 nan 0.000 0.225 368 P C 1.526 178.829 177.300 0.006 0.000 1.156 368 P CA 1.327 64.427 63.100 0.001 0.000 0.787 368 P CB -0.201 31.492 31.700 -0.012 0.000 0.802 369 T N 0.312 114.881 114.554 0.025 0.000 2.951 369 T HA 0.030 4.380 4.350 -0.000 0.000 0.268 369 T C 1.658 176.368 174.700 0.017 0.000 1.073 369 T CA 0.821 62.950 62.100 0.049 0.000 1.134 369 T CB -0.299 68.643 68.868 0.125 0.000 0.884 369 T HN 0.106 nan 8.240 nan 0.000 0.479 370 I N 0.534 121.107 120.570 0.005 0.000 3.783 370 I HA 0.208 4.378 4.170 -0.000 0.000 0.310 370 I C 2.589 178.668 176.117 -0.064 0.000 1.274 370 I CA 0.244 61.522 61.300 -0.037 0.000 1.294 370 I CB -0.809 37.168 38.000 -0.039 0.000 1.051 370 I HN 0.140 nan 8.210 nan 0.000 0.435 371 A N 1.998 124.796 122.820 -0.037 0.000 1.832 371 A HA -0.123 4.196 4.320 -0.000 0.000 0.214 371 A C 2.393 179.948 177.584 -0.049 0.000 1.204 371 A CA 2.016 54.029 52.037 -0.041 0.000 0.606 371 A CB -0.986 18.002 19.000 -0.020 0.000 0.849 371 A HN 0.258 nan 8.150 nan 0.000 0.445 372 V N -2.373 117.517 119.914 -0.041 0.000 2.515 372 V HA -0.058 4.061 4.120 -0.000 0.000 0.250 372 V C -0.233 175.828 176.094 -0.054 0.000 1.058 372 V CA 1.491 63.762 62.300 -0.048 0.000 1.064 372 V CB -2.032 29.764 31.823 -0.045 0.000 0.675 372 V HN 0.410 nan 8.190 nan 0.000 0.461 373 P HA -0.103 nan 4.420 nan 0.000 0.215 373 P C 2.038 179.312 177.300 -0.044 0.000 1.153 373 P CA 1.596 64.672 63.100 -0.040 0.000 0.853 373 P CB -0.109 31.569 31.700 -0.037 0.000 0.788 374 V N 0.117 119.992 119.914 -0.065 0.000 2.427 374 V HA -0.173 3.946 4.120 -0.000 0.000 0.248 374 V C 2.807 178.867 176.094 -0.057 0.000 1.051 374 V CA 1.620 63.878 62.300 -0.070 0.000 1.048 374 V CB -0.974 30.786 31.823 -0.106 0.000 0.666 374 V HN -0.060 nan 8.190 nan 0.000 0.456 375 V N -0.557 119.319 119.914 -0.064 0.000 2.307 375 V HA -0.233 3.887 4.120 -0.000 0.000 0.245 375 V C 2.321 178.353 176.094 -0.102 0.000 1.045 375 V CA 1.659 63.917 62.300 -0.069 0.000 1.024 375 V CB -0.645 31.139 31.823 -0.066 0.000 0.651 375 V HN 0.406 nan 8.190 nan 0.000 0.449 376 L N -0.413 120.734 121.223 -0.126 0.000 2.034 376 L HA -0.273 4.067 4.340 -0.000 0.000 0.217 376 L C 2.453 179.140 176.870 -0.304 0.000 1.077 376 L CA 1.940 56.642 54.840 -0.229 0.000 0.769 376 L CB -0.528 41.436 42.059 -0.158 0.000 0.890 376 L HN 0.310 nan 8.230 nan 0.000 0.435 377 L N -1.377 119.806 121.223 -0.067 0.000 2.056 377 L HA -0.114 4.225 4.340 -0.000 0.000 0.207 377 L C 2.659 179.584 176.870 0.092 0.000 1.078 377 L CA 1.319 56.240 54.840 0.134 0.000 0.749 377 L CB -1.356 40.781 42.059 0.130 0.000 0.901 377 L HN 0.356 nan 8.230 nan 0.000 0.433 378 G N -1.083 107.723 108.800 0.009 0.000 2.432 378 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.219 378 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.219 378 G C 1.646 176.553 174.900 0.011 0.000 1.135 378 G CA 1.314 46.423 45.100 0.014 0.000 0.767 378 G HN 0.242 nan 8.290 nan 0.000 0.550 379 T N -0.024 114.492 114.554 -0.064 0.000 2.951 379 T HA 0.048 4.398 4.350 -0.000 0.000 0.268 379 T C 1.986 176.677 174.700 -0.014 0.000 1.073 379 T CA 0.439 62.499 62.100 -0.066 0.000 1.134 379 T CB -0.277 68.500 68.868 -0.151 0.000 0.884 379 T HN 0.345 nan 8.240 nan 0.000 0.479 380 F N 1.312 121.289 119.950 0.045 0.000 2.126 380 F HA -0.084 4.442 4.527 -0.000 0.000 0.299 380 F C 2.644 178.471 175.800 0.045 0.000 1.096 380 F CA 0.823 58.852 58.000 0.047 0.000 1.255 380 F CB -0.276 38.738 39.000 0.024 0.000 0.997 380 F HN 0.153 nan 8.300 nan 0.000 0.479 381 A N -0.485 122.463 122.820 0.214 0.000 2.067 381 A HA -0.059 4.261 4.320 -0.000 0.000 0.219 381 A C 2.168 179.784 177.584 0.053 0.000 1.158 381 A CA 1.332 53.433 52.037 0.106 0.000 0.661 381 A CB -0.881 18.157 19.000 0.064 0.000 0.801 381 A HN 0.211 nan 8.150 nan 0.000 0.452 382 V N 0.027 119.990 119.914 0.081 0.000 2.535 382 V HA -0.142 3.978 4.120 -0.000 0.000 0.246 382 V C 2.418 178.617 176.094 0.175 0.000 1.045 382 V CA 1.469 63.808 62.300 0.065 0.000 1.058 382 V CB -0.590 31.326 31.823 0.154 0.000 0.689 382 V HN 0.572 nan 8.190 nan 0.000 0.461 383 L N 0.342 121.735 121.223 0.283 0.000 2.141 383 L HA -0.066 4.274 4.340 -0.000 0.000 0.209 383 L C 2.757 179.754 176.870 0.211 0.000 1.094 383 L CA 1.367 56.456 54.840 0.416 0.000 0.763 383 L CB -0.951 41.374 42.059 0.443 0.000 0.908 383 L HN 0.344 nan 8.230 nan 0.000 0.437 384 A N 0.587 123.487 122.820 0.133 0.000 1.902 384 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 384 A C 2.507 180.074 177.584 -0.028 0.000 1.181 384 A CA 1.844 53.912 52.037 0.052 0.000 0.623 384 A CB -0.574 18.452 19.000 0.044 0.000 0.818 384 A HN 0.396 nan 8.150 nan 0.000 0.443 385 A N -2.174 120.589 122.820 -0.096 0.000 2.067 385 A HA 0.225 4.545 4.320 -0.000 0.000 0.217 385 A C 1.729 179.151 177.584 -0.270 0.000 1.156 385 A CA 0.803 52.708 52.037 -0.220 0.000 0.683 385 A CB -0.489 18.303 19.000 -0.346 0.000 0.808 385 A HN 0.520 nan 8.150 nan 0.000 0.455 386 F N -1.559 118.302 119.950 -0.150 0.000 2.727 386 F HA 0.322 4.849 4.527 -0.000 0.000 0.302 386 F C 1.887 177.327 175.800 -0.599 0.000 1.097 386 F CA 0.524 58.327 58.000 -0.329 0.000 1.330 386 F CB 0.774 39.578 39.000 -0.328 0.000 1.084 386 F HN 0.404 nan 8.300 nan 0.000 0.578 387 G N 0.254 108.895 108.800 -0.265 0.000 2.259 387 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.217 387 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.217 387 G C 0.356 175.160 174.900 -0.160 0.000 1.001 387 G CA -0.469 44.488 45.100 -0.239 0.000 0.627 387 G HN 0.181 nan 8.290 nan 0.000 0.501 388 F N 2.442 122.461 119.950 0.116 0.000 2.472 388 F HA 0.509 5.036 4.527 -0.000 0.000 0.312 388 F C 1.409 177.257 175.800 0.080 0.000 1.256 388 F CA 0.270 58.322 58.000 0.087 0.000 1.275 388 F CB 0.570 39.623 39.000 0.088 0.000 1.228 388 F HN 0.333 nan 8.300 nan 0.000 0.567 389 S N -0.451 115.421 115.700 0.287 0.000 2.751 389 S HA 0.591 5.061 4.470 -0.000 0.000 0.310 389 S C -0.597 174.095 174.600 0.154 0.000 1.128 389 S CA -1.022 57.280 58.200 0.170 0.000 0.931 389 S CB 1.260 64.529 63.200 0.116 0.000 1.177 389 S HN 0.467 nan 8.310 nan 0.000 0.530 390 I N 2.675 123.311 120.570 0.109 0.000 2.352 390 I HA 0.101 4.271 4.170 -0.000 0.000 0.303 390 I C 0.096 176.235 176.117 0.036 0.000 1.194 390 I CA -0.167 61.190 61.300 0.094 0.000 1.518 390 I CB -1.068 36.967 38.000 0.058 0.000 1.489 390 I HN 0.432 nan 8.210 nan 0.000 0.702 391 N N 2.985 121.700 118.700 0.024 0.000 2.463 391 N HA 0.169 4.909 4.740 -0.000 0.000 0.270 391 N C 1.287 176.717 175.510 -0.133 0.000 1.205 391 N CA -0.200 52.821 53.050 -0.048 0.000 0.974 391 N CB 1.008 39.481 38.487 -0.022 0.000 1.197 391 N HN 0.267 nan 8.380 nan 0.000 0.504 392 T N 0.771 115.144 114.554 -0.303 0.000 2.759 392 T HA -0.077 4.272 4.350 -0.000 0.000 0.269 392 T C 1.906 176.398 174.700 -0.348 0.000 1.042 392 T CA 0.867 62.694 62.100 -0.455 0.000 1.140 392 T CB -0.098 68.248 68.868 -0.870 0.000 0.864 392 T HN 0.313 nan 8.240 nan 0.000 0.455 393 L N 0.951 122.068 121.223 -0.176 0.000 1.973 393 L HA -0.114 4.225 4.340 -0.000 0.000 0.208 393 L C 3.032 179.912 176.870 0.016 0.000 1.073 393 L CA 1.946 56.758 54.840 -0.046 0.000 0.746 393 L CB -0.864 41.178 42.059 -0.028 0.000 0.891 393 L HN 0.429 nan 8.230 nan 0.000 0.433 394 T N -3.303 111.245 114.554 -0.010 0.000 2.929 394 T HA -0.183 4.166 4.350 -0.000 0.000 0.271 394 T C 1.789 176.529 174.700 0.066 0.000 1.085 394 T CA 0.748 62.856 62.100 0.014 0.000 1.125 394 T CB -0.100 68.771 68.868 0.005 0.000 0.874 394 T HN 0.058 nan 8.240 nan 0.000 0.494 395 M N 0.534 120.184 119.600 0.083 0.000 2.156 395 M HA 0.304 4.784 4.480 -0.000 0.000 0.264 395 M C 1.984 178.420 176.300 0.227 0.000 1.067 395 M CA 0.616 55.996 55.300 0.133 0.000 1.131 395 M CB -1.389 31.274 32.600 0.105 0.000 1.368 395 M HN 0.343 nan 8.290 nan 0.000 0.416 396 F N -0.183 119.751 119.950 -0.027 0.000 2.333 396 F HA -0.124 4.403 4.527 -0.000 0.000 0.300 396 F C 2.208 178.009 175.800 0.001 0.000 1.083 396 F CA 0.485 58.470 58.000 -0.025 0.000 1.395 396 F CB -0.314 38.690 39.000 0.006 0.000 1.056 396 F HN 0.274 nan 8.300 nan 0.000 0.529 397 G N -0.263 108.648 108.800 0.186 0.000 2.448 397 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.218 397 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.218 397 G C 1.516 176.440 174.900 0.040 0.000 1.135 397 G CA 0.291 45.457 45.100 0.111 0.000 0.784 397 G HN 0.130 nan 8.290 nan 0.000 0.543 398 M N 0.698 120.299 119.600 0.003 0.000 2.419 398 M HA 0.119 4.599 4.480 -0.000 0.000 0.264 398 M C 2.359 178.615 176.300 -0.074 0.000 1.082 398 M CA 0.609 55.869 55.300 -0.066 0.000 1.119 398 M CB -0.639 31.896 32.600 -0.108 0.000 1.398 398 M HN 0.095 nan 8.290 nan 0.000 0.453 399 V N 0.407 120.277 119.914 -0.072 0.000 2.379 399 V HA -0.139 3.981 4.120 -0.000 0.000 0.243 399 V C 2.381 178.374 176.094 -0.168 0.000 1.035 399 V CA 0.860 63.070 62.300 -0.151 0.000 1.035 399 V CB -0.786 30.891 31.823 -0.244 0.000 0.673 399 V HN 0.300 nan 8.190 nan 0.000 0.457 400 L N 1.070 122.234 121.223 -0.097 0.000 2.191 400 L HA -0.002 4.337 4.340 -0.000 0.000 0.212 400 L C 2.336 179.211 176.870 0.010 0.000 1.103 400 L CA 2.042 56.866 54.840 -0.027 0.000 0.769 400 L CB -0.813 41.299 42.059 0.089 0.000 0.908 400 L HN 0.229 nan 8.230 nan 0.000 0.438 401 A N -0.462 122.348 122.820 -0.016 0.000 1.897 401 A HA -0.131 4.189 4.320 -0.000 0.000 0.215 401 A C 2.225 179.776 177.584 -0.055 0.000 1.181 401 A CA 1.616 53.634 52.037 -0.031 0.000 0.620 401 A CB -0.753 18.215 19.000 -0.054 0.000 0.821 401 A HN 0.414 nan 8.150 nan 0.000 0.443 402 I N 0.172 120.681 120.570 -0.100 0.000 2.236 402 I HA -0.311 3.859 4.170 -0.000 0.000 0.249 402 I C 2.554 178.606 176.117 -0.108 0.000 1.102 402 I CA 1.347 62.578 61.300 -0.115 0.000 1.365 402 I CB -0.326 37.586 38.000 -0.147 0.000 1.051 402 I HN 0.408 nan 8.210 nan 0.000 0.420 403 G N 0.109 108.815 108.800 -0.157 0.000 2.434 403 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.214 403 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.214 403 G C 1.076 176.115 174.900 0.232 0.000 1.202 403 G CA -0.007 45.091 45.100 -0.003 0.000 0.788 403 G HN 0.284 nan 8.290 nan 0.000 0.539 404 L N 0.999 122.340 121.223 0.197 0.000 2.437 404 L HA 0.473 4.813 4.340 -0.000 0.000 0.243 404 L C 0.469 177.335 176.870 -0.006 0.000 1.346 404 L CA -0.097 54.787 54.840 0.072 0.000 1.233 404 L CB -0.092 41.974 42.059 0.011 0.000 1.436 404 L HN 0.278 nan 8.230 nan 0.000 0.416 405 L N -0.136 121.087 121.223 -0.000 0.000 1.381 405 L HA -0.027 4.313 4.340 -0.000 0.000 0.129 405 L C 1.408 178.267 176.870 -0.018 0.000 1.359 405 L CA 0.176 55.000 54.840 -0.026 0.000 1.203 405 L CB 0.093 42.126 42.059 -0.043 0.000 2.498 405 L HN 0.100 nan 8.230 nan 0.000 0.478 406 V N -1.176 118.732 119.914 -0.009 0.000 3.041 406 V HA -0.104 4.016 4.120 -0.000 0.000 0.260 406 V C 1.879 177.972 176.094 -0.002 0.000 1.105 406 V CA 1.645 63.940 62.300 -0.009 0.000 1.125 406 V CB -0.460 31.355 31.823 -0.014 0.000 0.730 406 V HN 0.409 nan 8.190 nan 0.000 0.479 407 D N 1.178 121.586 120.400 0.013 0.000 2.097 407 D HA -0.225 4.415 4.640 -0.000 0.000 0.195 407 D C 1.889 178.187 176.300 -0.004 0.000 0.989 407 D CA 1.623 55.626 54.000 0.006 0.000 0.827 407 D CB -0.168 40.638 40.800 0.010 0.000 0.966 407 D HN 0.359 nan 8.370 nan 0.000 0.456 408 D N -0.601 119.794 120.400 -0.009 0.000 2.269 408 D HA -0.007 4.633 4.640 -0.000 0.000 0.208 408 D C 1.753 178.053 176.300 -0.001 0.000 0.963 408 D CA 0.792 54.786 54.000 -0.009 0.000 0.864 408 D CB 0.089 40.876 40.800 -0.020 0.000 0.936 408 D HN 0.255 nan 8.370 nan 0.000 0.505 409 A N 0.332 123.149 122.820 -0.004 0.000 1.929 409 A HA -0.049 4.271 4.320 -0.000 0.000 0.216 409 A C 2.290 179.877 177.584 0.006 0.000 1.176 409 A CA 0.496 52.534 52.037 0.001 0.000 0.628 409 A CB -0.376 18.621 19.000 -0.006 0.000 0.816 409 A HN 0.168 nan 8.150 nan 0.000 0.444 410 I N -0.435 120.135 120.570 -0.000 0.000 2.353 410 I HA -0.168 4.002 4.170 -0.000 0.000 0.248 410 I C 2.268 178.395 176.117 0.016 0.000 1.119 410 I CA 0.826 62.123 61.300 -0.004 0.000 1.417 410 I CB 0.005 37.988 38.000 -0.027 0.000 1.078 410 I HN 0.162 nan 8.210 nan 0.000 0.421 411 V N 0.649 120.581 119.914 0.031 0.000 2.307 411 V HA -0.224 3.896 4.120 -0.000 0.000 0.245 411 V C 2.509 178.647 176.094 0.074 0.000 1.045 411 V CA 1.850 64.189 62.300 0.065 0.000 1.024 411 V CB -0.832 31.041 31.823 0.083 0.000 0.651 411 V HN 0.383 nan 8.190 nan 0.000 0.449 412 V N -1.016 118.932 119.914 0.058 0.000 2.392 412 V HA -0.195 3.925 4.120 -0.000 0.000 0.249 412 V C 2.240 178.365 176.094 0.051 0.000 1.059 412 V CA 2.016 64.350 62.300 0.057 0.000 1.051 412 V CB -1.191 30.658 31.823 0.044 0.000 0.658 412 V HN 0.344 nan 8.190 nan 0.000 0.455 413 V N 2.059 121.998 119.914 0.042 0.000 2.346 413 V HA -0.154 3.965 4.120 -0.000 0.000 0.244 413 V C 2.661 178.779 176.094 0.040 0.000 1.037 413 V CA 2.082 64.405 62.300 0.039 0.000 1.029 413 V CB -0.732 31.109 31.823 0.030 0.000 0.663 413 V HN 0.806 nan 8.190 nan 0.000 0.454 414 E N 0.660 120.884 120.200 0.039 0.000 2.385 414 E HA -0.125 4.224 4.350 -0.000 0.000 0.194 414 E C 1.676 178.297 176.600 0.035 0.000 1.013 414 E CA 1.360 57.785 56.400 0.042 0.000 0.866 414 E CB -0.739 28.985 29.700 0.040 0.000 0.832 414 E HN 0.670 nan 8.360 nan 0.000 0.500 415 N N -0.099 118.624 118.700 0.039 0.000 2.409 415 N HA -0.074 4.666 4.740 -0.000 0.000 0.179 415 N C 1.131 176.655 175.510 0.023 0.000 1.032 415 N CA 0.928 53.992 53.050 0.023 0.000 0.898 415 N CB 0.271 38.801 38.487 0.071 0.000 0.971 415 N HN 0.101 nan 8.380 nan 0.000 0.441 416 V N 0.146 120.081 119.914 0.035 0.000 2.379 416 V HA -0.101 4.018 4.120 -0.000 0.000 0.245 416 V C 2.076 178.187 176.094 0.029 0.000 1.044 416 V CA 1.426 63.744 62.300 0.031 0.000 1.036 416 V CB -0.649 31.195 31.823 0.034 0.000 0.664 416 V HN 0.278 nan 8.190 nan 0.000 0.453 417 E N 0.889 121.111 120.200 0.036 0.000 2.209 417 E HA -0.232 4.118 4.350 -0.000 0.000 0.196 417 E C 2.330 178.955 176.600 0.043 0.000 0.993 417 E CA 1.556 57.983 56.400 0.044 0.000 0.819 417 E CB -0.184 29.552 29.700 0.060 0.000 0.745 417 E HN 0.738 nan 8.360 nan 0.000 0.477 418 R N -0.704 119.813 120.500 0.027 0.000 2.062 418 R HA 0.039 4.378 4.340 -0.000 0.000 0.226 418 R C 2.108 178.417 176.300 0.015 0.000 1.125 418 R CA 1.230 57.343 56.100 0.021 0.000 0.966 418 R CB -0.836 29.457 30.300 -0.012 0.000 0.861 418 R HN 0.087 nan 8.270 nan 0.000 0.433 419 V N 1.405 121.323 119.914 0.007 0.000 3.241 419 V HA 0.009 4.129 4.120 -0.000 0.000 0.269 419 V C 1.226 177.328 176.094 0.012 0.000 1.151 419 V CA 1.199 63.504 62.300 0.007 0.000 1.158 419 V CB -0.309 31.519 31.823 0.008 0.000 0.764 419 V HN 0.388 nan 8.190 nan 0.000 0.508 420 M N -0.811 118.799 119.600 0.017 0.000 2.859 420 M HA 0.424 4.904 4.480 -0.000 0.000 0.297 420 M C 0.623 176.933 176.300 0.016 0.000 1.268 420 M CA 0.623 55.933 55.300 0.016 0.000 1.003 420 M CB 0.639 33.251 32.600 0.019 0.000 1.308 420 M HN 0.332 nan 8.290 nan 0.000 0.502 421 A N -0.810 122.020 122.820 0.017 0.000 1.544 421 A HA 0.056 4.376 4.320 -0.000 0.000 0.206 421 A C 1.354 178.951 177.584 0.022 0.000 1.895 421 A CA -0.101 51.949 52.037 0.021 0.000 1.585 421 A CB -0.138 18.888 19.000 0.044 0.000 1.485 421 A HN 0.305 nan 8.150 nan 0.000 0.342 422 E N 1.049 121.265 120.200 0.028 0.000 2.187 422 E HA -0.184 4.166 4.350 -0.000 0.000 0.199 422 E C 0.436 177.042 176.600 0.010 0.000 1.004 422 E CA 1.701 58.114 56.400 0.021 0.000 0.813 422 E CB 0.064 29.771 29.700 0.013 0.000 0.736 422 E HN 0.700 nan 8.360 nan 0.000 0.468 423 E N -1.387 118.817 120.200 0.007 0.000 3.843 423 E HA 0.191 4.541 4.350 -0.000 0.000 0.189 423 E C -0.183 176.418 176.600 0.001 0.000 1.013 423 E CA 0.035 56.437 56.400 0.002 0.000 1.395 423 E CB 0.213 29.915 29.700 0.003 0.000 1.136 423 E HN 0.163 nan 8.360 nan 0.000 0.444 424 G N 2.136 110.936 108.800 -0.000 0.000 2.721 424 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.342 424 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.342 424 G C 0.045 174.943 174.900 -0.003 0.000 0.146 424 G CA 0.422 45.520 45.100 -0.003 0.000 1.204 424 G HN 0.450 nan 8.290 nan 0.000 0.499 425 L N 4.782 126.006 121.223 0.001 0.000 2.409 425 L HA 0.117 4.457 4.340 -0.000 0.000 0.262 425 L C -1.639 175.234 176.870 0.004 0.000 1.346 425 L CA -1.157 53.684 54.840 0.001 0.000 0.848 425 L CB 1.959 44.019 42.059 0.003 0.000 1.006 425 L HN 0.271 nan 8.230 nan 0.000 0.505 426 P HA -0.127 nan 4.420 nan 0.000 0.217 426 P C -1.818 175.485 177.300 0.005 0.000 1.158 426 P CA 1.139 64.243 63.100 0.005 0.000 0.887 426 P CB -1.039 30.662 31.700 0.002 0.000 0.792 427 P HA -0.033 nan 4.420 nan 0.000 0.272 427 P C 0.974 178.274 177.300 -0.000 0.000 1.254 427 P CA 0.139 63.238 63.100 -0.002 0.000 0.795 427 P CB 0.698 32.395 31.700 -0.004 0.000 1.022 428 K N 0.325 120.722 120.400 -0.005 0.000 2.077 428 K HA -0.241 4.079 4.320 -0.000 0.000 0.213 428 K C 1.818 178.418 176.600 -0.001 0.000 1.051 428 K CA 2.175 58.459 56.287 -0.006 0.000 0.929 428 K CB -0.370 32.122 32.500 -0.014 0.000 0.715 428 K HN 0.454 nan 8.250 nan 0.000 0.451 429 E N 0.123 120.322 120.200 -0.001 0.000 2.268 429 E HA -0.120 4.230 4.350 -0.000 0.000 0.195 429 E C 1.747 178.351 176.600 0.007 0.000 0.995 429 E CA 0.939 57.340 56.400 0.002 0.000 0.836 429 E CB -0.098 29.602 29.700 -0.000 0.000 0.763 429 E HN 0.362 nan 8.360 nan 0.000 0.491 430 A N 0.354 123.178 122.820 0.008 0.000 1.845 430 A HA -0.238 4.082 4.320 -0.000 0.000 0.215 430 A C 2.338 179.933 177.584 0.017 0.000 1.195 430 A CA 2.227 54.271 52.037 0.012 0.000 0.616 430 A CB -1.256 17.751 19.000 0.012 0.000 0.832 430 A HN 0.320 nan 8.150 nan 0.000 0.443 431 T N -0.474 114.090 114.554 0.018 0.000 2.680 431 T HA -0.290 4.060 4.350 -0.000 0.000 0.268 431 T C 1.997 176.710 174.700 0.023 0.000 1.033 431 T CA 1.981 64.094 62.100 0.022 0.000 1.152 431 T CB -0.299 68.581 68.868 0.020 0.000 0.859 431 T HN 0.531 nan 8.240 nan 0.000 0.452 432 R N 1.206 121.716 120.500 0.017 0.000 2.062 432 R HA 0.018 4.358 4.340 -0.000 0.000 0.231 432 R C 1.580 177.892 176.300 0.020 0.000 1.136 432 R CA 1.249 57.358 56.100 0.016 0.000 0.948 432 R CB -0.033 30.273 30.300 0.009 0.000 0.845 432 R HN 0.197 nan 8.270 nan 0.000 0.430 433 K N -0.184 120.228 120.400 0.020 0.000 2.551 433 K HA 0.091 4.411 4.320 -0.000 0.000 0.204 433 K C 0.959 177.580 176.600 0.036 0.000 1.033 433 K CA 0.328 56.629 56.287 0.024 0.000 1.187 433 K CB 0.761 33.272 32.500 0.018 0.000 0.900 433 K HN 0.203 nan 8.250 nan 0.000 0.499 434 S N -0.165 115.560 115.700 0.041 0.000 2.502 434 S HA 0.046 4.516 4.470 -0.000 0.000 0.228 434 S C 1.556 176.204 174.600 0.080 0.000 1.061 434 S CA -0.007 58.229 58.200 0.060 0.000 0.935 434 S CB 0.051 63.282 63.200 0.052 0.000 0.809 434 S HN 0.157 nan 8.310 nan 0.000 0.510 435 M N 2.137 121.770 119.600 0.056 0.000 2.686 435 M HA 0.210 4.690 4.480 -0.000 0.000 0.246 435 M C 1.952 178.272 176.300 0.033 0.000 1.096 435 M CA 0.834 56.162 55.300 0.046 0.000 1.076 435 M CB -1.665 30.953 32.600 0.030 0.000 1.504 435 M HN 0.457 nan 8.290 nan 0.000 0.524 436 G N 0.731 109.555 108.800 0.039 0.000 2.402 436 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.216 436 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.216 436 G C 1.624 176.553 174.900 0.048 0.000 1.162 436 G CA 0.292 45.410 45.100 0.031 0.000 0.777 436 G HN 0.430 nan 8.290 nan 0.000 0.539 437 Q N -0.403 119.461 119.800 0.107 0.000 2.331 437 Q HA 0.185 4.524 4.340 -0.000 0.000 0.203 437 Q C 2.505 178.612 176.000 0.179 0.000 0.944 437 Q CA 0.447 56.375 55.803 0.209 0.000 0.892 437 Q CB 0.351 29.301 28.738 0.352 0.000 0.983 437 Q HN 0.559 nan 8.270 nan 0.000 0.482 438 I N 0.461 121.109 120.570 0.131 0.000 2.810 438 I HA -0.176 3.994 4.170 -0.000 0.000 0.262 438 I C 2.364 178.462 176.117 -0.031 0.000 1.131 438 I CA 0.561 61.907 61.300 0.076 0.000 1.453 438 I CB -0.011 38.062 38.000 0.121 0.000 1.161 438 I HN 0.054 nan 8.210 nan 0.000 0.444 439 Q N 1.854 121.642 119.800 -0.021 0.000 2.245 439 Q HA -0.013 4.327 4.340 -0.000 0.000 0.201 439 Q C 1.987 177.938 176.000 -0.081 0.000 0.955 439 Q CA 1.986 57.765 55.803 -0.039 0.000 0.870 439 Q CB -1.254 27.473 28.738 -0.019 0.000 0.945 439 Q HN 0.364 nan 8.270 nan 0.000 0.461 440 G N 0.887 109.622 108.800 -0.109 0.000 2.547 440 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.221 440 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.221 440 G C 1.393 176.161 174.900 -0.221 0.000 1.140 440 G CA 1.909 46.903 45.100 -0.177 0.000 0.760 440 G HN 0.651 nan 8.290 nan 0.000 0.583 441 A N 0.498 123.206 122.820 -0.187 0.000 1.833 441 A HA 0.206 4.526 4.320 -0.000 0.000 0.215 441 A C 2.302 179.841 177.584 -0.076 0.000 1.275 441 A CA 1.284 53.245 52.037 -0.127 0.000 0.602 441 A CB -0.831 18.080 19.000 -0.149 0.000 0.929 441 A HN 0.391 nan 8.150 nan 0.000 0.462 442 L N -0.973 120.212 121.223 -0.064 0.000 2.425 442 L HA -0.407 3.933 4.340 -0.000 0.000 0.231 442 L C 2.417 179.268 176.870 -0.032 0.000 1.140 442 L CA 2.259 57.075 54.840 -0.040 0.000 0.856 442 L CB -1.179 40.862 42.059 -0.030 0.000 0.960 442 L HN 0.354 nan 8.230 nan 0.000 0.446 443 V N -0.831 119.061 119.914 -0.037 0.000 2.407 443 V HA -0.114 4.006 4.120 -0.000 0.000 0.245 443 V C 2.525 178.611 176.094 -0.014 0.000 1.041 443 V CA 1.859 64.144 62.300 -0.026 0.000 1.040 443 V CB -0.963 30.843 31.823 -0.030 0.000 0.671 443 V HN 0.620 nan 8.190 nan 0.000 0.455 444 G N 1.472 110.263 108.800 -0.014 0.000 2.446 444 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.217 444 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.217 444 G C 1.520 176.456 174.900 0.061 0.000 1.168 444 G CA 1.461 46.592 45.100 0.052 0.000 0.771 444 G HN 0.635 nan 8.290 nan 0.000 0.551 445 I N 0.064 120.652 120.570 0.030 0.000 2.286 445 I HA 0.004 4.174 4.170 -0.000 0.000 0.248 445 I C 2.954 179.057 176.117 -0.023 0.000 1.115 445 I CA 1.324 62.623 61.300 -0.001 0.000 1.392 445 I CB -0.529 37.458 38.000 -0.023 0.000 1.065 445 I HN 0.145 nan 8.210 nan 0.000 0.418 446 A N 1.290 124.096 122.820 -0.024 0.000 2.015 446 A HA -0.052 4.268 4.320 -0.000 0.000 0.219 446 A C 2.394 179.965 177.584 -0.023 0.000 1.163 446 A CA 1.384 53.400 52.037 -0.034 0.000 0.646 446 A CB -0.482 18.502 19.000 -0.027 0.000 0.806 446 A HN 0.404 nan 8.150 nan 0.000 0.448 447 M N -0.159 119.439 119.600 -0.003 0.000 2.319 447 M HA -0.079 4.401 4.480 -0.000 0.000 0.265 447 M C 2.051 178.354 176.300 0.006 0.000 1.068 447 M CA 1.648 56.953 55.300 0.009 0.000 1.118 447 M CB -0.526 32.088 32.600 0.024 0.000 1.395 447 M HN 0.485 nan 8.290 nan 0.000 0.435 448 V N -3.527 116.385 119.914 -0.003 0.000 2.949 448 V HA -0.003 4.117 4.120 -0.000 0.000 0.245 448 V C 2.090 178.175 176.094 -0.016 0.000 1.086 448 V CA 0.438 62.733 62.300 -0.007 0.000 1.097 448 V CB -0.907 30.904 31.823 -0.020 0.000 0.762 448 V HN 0.260 nan 8.190 nan 0.000 0.470 449 L N 2.353 123.549 121.223 -0.044 0.000 2.079 449 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 449 L C 2.958 179.786 176.870 -0.071 0.000 1.081 449 L CA 2.223 57.010 54.840 -0.090 0.000 0.752 449 L CB -0.644 41.323 42.059 -0.152 0.000 0.896 449 L HN 0.630 nan 8.230 nan 0.000 0.433 450 S N -0.513 115.162 115.700 -0.042 0.000 2.436 450 S HA -0.013 4.457 4.470 -0.000 0.000 0.228 450 S C 1.993 176.604 174.600 0.017 0.000 1.014 450 S CA 0.510 58.709 58.200 -0.002 0.000 0.950 450 S CB -0.273 62.923 63.200 -0.007 0.000 0.784 450 S HN 0.305 nan 8.310 nan 0.000 0.504 451 A N 1.304 124.131 122.820 0.012 0.000 2.209 451 A HA 0.303 4.623 4.320 -0.000 0.000 0.212 451 A C 2.120 179.706 177.584 0.003 0.000 1.158 451 A CA 0.963 53.006 52.037 0.010 0.000 0.742 451 A CB -0.646 18.367 19.000 0.022 0.000 0.790 451 A HN 1.057 nan 8.150 nan 0.000 0.472 452 V N -6.054 113.879 119.914 0.031 0.000 3.523 452 V HA 0.304 4.424 4.120 -0.000 0.000 0.255 452 V C 1.776 177.865 176.094 -0.009 0.000 1.226 452 V CA 0.567 62.872 62.300 0.008 0.000 1.092 452 V CB -0.593 31.262 31.823 0.055 0.000 0.817 452 V HN 0.201 nan 8.190 nan 0.000 0.458 453 F N 1.223 121.079 119.950 -0.157 0.000 2.298 453 F HA 0.269 4.796 4.527 -0.000 0.000 0.282 453 F C 2.301 177.982 175.800 -0.197 0.000 1.045 453 F CA 1.989 59.894 58.000 -0.159 0.000 1.280 453 F CB -0.010 38.924 39.000 -0.110 0.000 1.114 453 F HN -0.050 nan 8.300 nan 0.000 0.546 454 V N 1.708 121.611 119.914 -0.018 0.000 2.407 454 V HA -0.176 3.944 4.120 -0.000 0.000 0.248 454 V C -0.665 175.110 176.094 -0.531 0.000 1.055 454 V CA 1.744 63.923 62.300 -0.200 0.000 1.049 454 V CB -2.236 29.498 31.823 -0.147 0.000 0.662 454 V HN 0.203 nan 8.190 nan 0.000 0.455 455 P HA -0.174 nan 4.420 nan 0.000 0.220 455 P C 1.822 178.879 177.300 -0.406 0.000 1.148 455 P CA 1.432 64.156 63.100 -0.626 0.000 0.803 455 P CB -0.125 31.433 31.700 -0.236 0.000 0.782 456 M N -0.384 119.020 119.600 -0.328 0.000 2.492 456 M HA 0.053 4.533 4.480 -0.000 0.000 0.262 456 M C 1.114 177.330 176.300 -0.139 0.000 1.090 456 M CA 0.761 55.887 55.300 -0.291 0.000 1.110 456 M CB -0.570 31.746 32.600 -0.474 0.000 1.407 456 M HN -0.170 nan 8.290 nan 0.000 0.470 457 A N -0.322 122.401 122.820 -0.163 0.000 2.840 457 A HA 0.165 4.485 4.320 -0.000 0.000 0.269 457 A C -0.006 177.794 177.584 0.359 0.000 1.439 457 A CA -0.209 51.855 52.037 0.045 0.000 1.083 457 A CB -0.986 17.964 19.000 -0.083 0.000 1.019 457 A HN 0.393 nan 8.150 nan 0.000 0.607 458 F N 0.072 120.204 119.950 0.302 0.000 2.708 458 F HA 0.245 4.772 4.527 -0.000 0.000 0.300 458 F C 0.733 176.530 175.800 -0.004 0.000 1.118 458 F CA -2.394 55.699 58.000 0.155 0.000 1.307 458 F CB -1.337 37.679 39.000 0.026 0.000 0.986 458 F HN 0.408 nan 8.300 nan 0.000 0.522 459 F N 0.069 120.151 119.950 0.220 0.000 1.625 459 F HA 0.188 4.715 4.527 -0.000 0.000 0.104 459 F C 0.455 176.348 175.800 0.155 0.000 0.316 459 F CA -0.169 57.949 58.000 0.196 0.000 0.476 459 F CB -0.802 38.302 39.000 0.173 0.000 0.736 459 F HN 0.192 nan 8.300 nan 0.000 0.664 460 G N 0.329 109.237 108.800 0.179 0.000 2.715 460 G HA2 0.693 4.653 3.960 -0.000 0.000 0.297 460 G HA3 0.693 4.653 3.960 -0.000 0.000 0.297 460 G C -0.400 174.575 174.900 0.125 0.000 1.386 460 G CA 0.229 45.349 45.100 0.033 0.000 1.157 460 G HN 2.485 nan 8.290 nan 0.000 0.585 461 G N 1.110 109.976 108.800 0.109 0.000 2.488 461 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.237 461 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.237 461 G C 1.311 176.271 174.900 0.100 0.000 1.209 461 G CA 0.605 45.754 45.100 0.081 0.000 0.929 461 G HN 1.615 nan 8.290 nan 0.000 0.578 462 S N 0.116 115.840 115.700 0.040 0.000 2.515 462 S HA 0.149 4.619 4.470 -0.000 0.000 0.231 462 S C 1.672 176.276 174.600 0.007 0.000 0.987 462 S CA 1.739 59.947 58.200 0.013 0.000 0.936 462 S CB -0.252 62.919 63.200 -0.049 0.000 0.766 462 S HN 0.826 nan 8.310 nan 0.000 0.528 463 T N 1.534 116.099 114.554 0.018 0.000 3.341 463 T HA 0.284 4.634 4.350 -0.000 0.000 0.234 463 T C 1.298 176.095 174.700 0.162 0.000 0.890 463 T CA 0.054 62.196 62.100 0.071 0.000 0.952 463 T CB 0.363 69.263 68.868 0.054 0.000 1.146 463 T HN 0.388 nan 8.240 nan 0.000 0.591 464 G N 1.566 110.469 108.800 0.172 0.000 2.572 464 G HA2 0.183 4.143 3.960 -0.000 0.000 0.214 464 G HA3 0.183 4.143 3.960 -0.000 0.000 0.214 464 G C 1.313 176.193 174.900 -0.034 0.000 1.246 464 G CA 0.241 45.511 45.100 0.283 0.000 0.835 464 G HN 0.571 nan 8.290 nan 0.000 0.551 465 A N -0.515 122.270 122.820 -0.058 0.000 2.346 465 A HA 0.491 4.810 4.320 -0.000 0.000 0.242 465 A C 1.497 178.990 177.584 -0.152 0.000 1.323 465 A CA 0.166 52.110 52.037 -0.154 0.000 0.940 465 A CB -0.283 18.690 19.000 -0.045 0.000 0.943 465 A HN 0.267 nan 8.150 nan 0.000 0.501 466 I N -2.659 117.821 120.570 -0.150 0.000 3.136 466 I HA 0.086 4.256 4.170 -0.000 0.000 0.262 466 I C 1.204 177.171 176.117 -0.250 0.000 1.132 466 I CA 0.983 62.153 61.300 -0.217 0.000 1.450 466 I CB -0.141 37.723 38.000 -0.226 0.000 1.315 466 I HN 0.442 nan 8.210 nan 0.000 0.460 467 Y N 0.216 120.485 120.300 -0.052 0.000 2.532 467 Y HA 0.203 4.753 4.550 -0.000 0.000 0.283 467 Y C 2.093 177.890 175.900 -0.171 0.000 1.181 467 Y CA -0.324 57.721 58.100 -0.092 0.000 1.256 467 Y CB 0.276 38.734 38.460 -0.003 0.000 1.112 467 Y HN 0.068 nan 8.280 nan 0.000 0.521 468 R N 0.527 120.920 120.500 -0.179 0.000 1.921 468 R HA 0.093 4.432 4.340 -0.000 0.000 0.190 468 R C 0.619 176.712 176.300 -0.345 0.000 1.595 468 R CA 0.165 56.026 56.100 -0.398 0.000 1.236 468 R CB -0.186 29.631 30.300 -0.805 0.000 1.010 468 R HN 0.156 nan 8.270 nan 0.000 0.482 472 I N 0.720 121.351 120.570 0.101 0.000 4.374 472 I HA -0.370 3.799 4.170 -0.000 0.000 0.078 472 I C 1.547 177.691 176.117 0.045 0.000 0.592 472 I CA 3.809 65.128 61.300 0.031 0.000 0.987 472 I CB -2.115 35.855 38.000 -0.050 0.000 0.884 472 I HN 0.997 nan 8.210 nan 0.000 0.180 473 T N 2.323 116.861 114.554 -0.027 0.000 2.653 473 T HA -0.177 4.173 4.350 -0.000 0.000 0.268 473 T C 1.801 176.525 174.700 0.040 0.000 1.035 473 T CA 2.959 65.057 62.100 -0.002 0.000 1.154 473 T CB -0.745 68.080 68.868 -0.071 0.000 0.862 473 T HN 0.736 nan 8.240 nan 0.000 0.441 474 I N 0.650 121.288 120.570 0.113 0.000 2.454 474 I HA -0.093 4.077 4.170 -0.000 0.000 0.254 474 I C 2.143 178.220 176.117 -0.067 0.000 1.156 474 I CA 0.893 62.241 61.300 0.081 0.000 1.433 474 I CB -0.681 37.424 38.000 0.175 0.000 1.082 474 I HN 0.110 nan 8.210 nan 0.000 0.432 475 V N 0.548 120.457 119.914 -0.008 0.000 2.922 475 V HA -0.092 4.027 4.120 -0.000 0.000 0.242 475 V C 2.634 178.728 176.094 0.000 0.000 1.094 475 V CA 1.288 63.563 62.300 -0.042 0.000 1.106 475 V CB 0.031 31.865 31.823 0.018 0.000 0.799 475 V HN 0.520 nan 8.190 nan 0.000 0.474 476 S N 2.253 117.987 115.700 0.055 0.000 2.380 476 S HA -0.273 4.197 4.470 -0.000 0.000 0.229 476 S C 2.060 176.669 174.600 0.014 0.000 1.043 476 S CA 1.767 60.012 58.200 0.076 0.000 1.038 476 S CB -0.712 62.572 63.200 0.141 0.000 0.872 476 S HN 0.605 nan 8.310 nan 0.000 0.456 477 A N 2.433 125.241 122.820 -0.020 0.000 1.929 477 A HA 0.117 4.437 4.320 -0.000 0.000 0.216 477 A C 2.369 179.911 177.584 -0.069 0.000 1.176 477 A CA 1.574 53.576 52.037 -0.058 0.000 0.628 477 A CB -0.756 18.196 19.000 -0.079 0.000 0.816 477 A HN 0.808 nan 8.150 nan 0.000 0.444 478 M N -0.868 118.679 119.600 -0.088 0.000 2.156 478 M HA 0.113 4.593 4.480 -0.000 0.000 0.264 478 M C 2.028 178.291 176.300 -0.063 0.000 1.067 478 M CA 1.869 57.107 55.300 -0.104 0.000 1.131 478 M CB -0.276 32.222 32.600 -0.169 0.000 1.368 478 M HN 0.189 nan 8.290 nan 0.000 0.416 479 A N 0.581 123.378 122.820 -0.039 0.000 2.119 479 A HA 0.123 4.442 4.320 -0.000 0.000 0.217 479 A C 2.038 179.616 177.584 -0.009 0.000 1.153 479 A CA 0.889 52.917 52.037 -0.015 0.000 0.692 479 A CB -0.794 18.211 19.000 0.008 0.000 0.799 479 A HN 0.623 nan 8.150 nan 0.000 0.458 480 L N -0.143 121.070 121.223 -0.016 0.000 2.209 480 L HA -0.078 4.262 4.340 -0.000 0.000 0.207 480 L C 2.880 179.735 176.870 -0.026 0.000 1.094 480 L CA 1.205 56.035 54.840 -0.017 0.000 0.790 480 L CB -0.175 41.871 42.059 -0.022 0.000 0.932 480 L HN 0.559 nan 8.230 nan 0.000 0.447 481 S N -1.032 114.647 115.700 -0.035 0.000 2.428 481 S HA -0.093 4.377 4.470 -0.000 0.000 0.230 481 S C 1.851 176.437 174.600 -0.025 0.000 1.014 481 S CA 0.805 58.984 58.200 -0.035 0.000 0.957 481 S CB -0.447 62.726 63.200 -0.045 0.000 0.784 481 S HN 0.137 nan 8.310 nan 0.000 0.499 482 V N 1.835 121.735 119.914 -0.024 0.000 2.323 482 V HA -0.046 4.074 4.120 -0.000 0.000 0.244 482 V C 2.575 178.666 176.094 -0.005 0.000 1.041 482 V CA 1.625 63.916 62.300 -0.015 0.000 1.025 482 V CB -0.797 31.016 31.823 -0.017 0.000 0.656 482 V HN 0.424 nan 8.190 nan 0.000 0.451 483 L N -0.506 120.715 121.223 -0.003 0.000 1.970 483 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 483 L C 2.533 179.407 176.870 0.007 0.000 1.071 483 L CA 1.458 56.301 54.840 0.005 0.000 0.751 483 L CB -0.618 41.444 42.059 0.005 0.000 0.889 483 L HN 0.149 nan 8.230 nan 0.000 0.432 484 V N -0.167 119.745 119.914 -0.003 0.000 2.380 484 V HA -0.322 3.798 4.120 -0.000 0.000 0.251 484 V C 2.331 178.430 176.094 0.008 0.000 1.063 484 V CA 1.943 64.240 62.300 -0.005 0.000 1.055 484 V CB -0.484 31.325 31.823 -0.023 0.000 0.657 484 V HN 0.527 nan 8.190 nan 0.000 0.455 485 A N -2.017 120.806 122.820 0.006 0.000 2.275 485 A HA 0.247 4.566 4.320 -0.000 0.000 0.212 485 A C 1.934 179.530 177.584 0.019 0.000 1.201 485 A CA 0.440 52.486 52.037 0.013 0.000 0.843 485 A CB -0.016 18.988 19.000 0.006 0.000 0.873 485 A HN 0.513 nan 8.150 nan 0.000 0.492 486 L N -1.004 120.230 121.223 0.019 0.000 2.467 486 L HA 0.298 4.638 4.340 -0.000 0.000 0.213 486 L C 0.497 177.388 176.870 0.035 0.000 1.053 486 L CA 0.120 54.973 54.840 0.022 0.000 0.847 486 L CB 0.050 42.119 42.059 0.016 0.000 1.075 486 L HN 0.254 nan 8.230 nan 0.000 0.479 487 I N -0.850 119.745 120.570 0.040 0.000 3.276 487 I HA 0.057 4.227 4.170 -0.000 0.000 0.306 487 I C 1.159 177.317 176.117 0.069 0.000 1.060 487 I CA -0.192 61.144 61.300 0.060 0.000 1.133 487 I CB 0.621 38.657 38.000 0.060 0.000 1.473 487 I HN 0.057 nan 8.210 nan 0.000 0.649 488 L N 0.893 122.178 121.223 0.104 0.000 3.542 488 L HA -0.430 3.910 4.340 -0.000 0.000 0.053 488 L C 1.687 178.630 176.870 0.122 0.000 4.355 488 L CA 2.975 57.900 54.840 0.141 0.000 0.629 488 L CB -2.302 39.815 42.059 0.096 0.000 3.504 488 L HN 0.812 nan 8.230 nan 0.000 0.781 489 T N 1.124 115.727 114.554 0.082 0.000 2.635 489 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 489 T C -0.446 174.294 174.700 0.068 0.000 1.040 489 T CA 2.384 64.528 62.100 0.073 0.000 1.156 489 T CB -1.375 67.520 68.868 0.046 0.000 0.863 489 T HN 0.575 nan 8.240 nan 0.000 0.430 490 P HA -0.233 nan 4.420 nan 0.000 0.219 490 P C 1.598 178.927 177.300 0.049 0.000 1.161 490 P CA 1.934 65.063 63.100 0.047 0.000 0.909 490 P CB -0.361 31.364 31.700 0.041 0.000 0.793 491 A N -1.000 121.857 122.820 0.063 0.000 1.834 491 A HA -0.223 4.096 4.320 -0.000 0.000 0.216 491 A C 2.341 179.961 177.584 0.060 0.000 1.203 491 A CA 1.989 54.059 52.037 0.055 0.000 0.621 491 A CB -1.707 17.343 19.000 0.084 0.000 0.841 491 A HN 0.138 nan 8.150 nan 0.000 0.446 492 L N -0.461 120.832 121.223 0.117 0.000 2.010 492 L HA -0.338 4.002 4.340 -0.000 0.000 0.219 492 L C 2.779 179.693 176.870 0.072 0.000 1.077 492 L CA 2.329 57.242 54.840 0.122 0.000 0.773 492 L CB -0.483 41.697 42.059 0.202 0.000 0.892 492 L HN 0.602 nan 8.230 nan 0.000 0.436 493 C N -1.220 118.119 119.300 0.066 0.000 2.385 493 C HA -0.292 4.168 4.460 -0.000 0.000 0.275 493 C C 2.969 177.979 174.990 0.032 0.000 1.207 493 C CA 0.908 59.955 59.018 0.048 0.000 1.760 493 C CB -1.482 26.285 27.740 0.045 0.000 2.051 493 C HN 0.739 nan 8.230 nan 0.000 0.467 494 A N -0.077 122.757 122.820 0.024 0.000 1.832 494 A HA -0.134 4.186 4.320 -0.000 0.000 0.214 494 A C 2.157 179.739 177.584 -0.004 0.000 1.204 494 A CA 2.469 54.510 52.037 0.007 0.000 0.606 494 A CB -1.507 17.493 19.000 -0.000 0.000 0.849 494 A HN 0.534 nan 8.150 nan 0.000 0.445 495 T N -0.947 113.598 114.554 -0.015 0.000 2.693 495 T HA -0.205 4.145 4.350 -0.000 0.000 0.263 495 T C 0.795 175.479 174.700 -0.026 0.000 1.046 495 T CA 1.965 64.041 62.100 -0.039 0.000 1.160 495 T CB -0.332 68.499 68.868 -0.061 0.000 0.853 495 T HN 0.559 nan 8.240 nan 0.000 0.462 496 M N -0.649 118.952 119.600 0.001 0.000 2.346 496 M HA 0.395 4.875 4.480 -0.000 0.000 0.287 496 M C -1.768 174.552 176.300 0.034 0.000 1.100 496 M CA -0.518 54.791 55.300 0.014 0.000 0.950 496 M CB 1.916 34.524 32.600 0.014 0.000 1.815 496 M HN 0.097 nan 8.290 nan 0.000 0.497 497 L N 3.250 124.494 121.223 0.034 0.000 2.455 497 L HA 0.449 4.789 4.340 -0.000 0.000 0.138 497 L C -0.118 176.780 176.870 0.047 0.000 1.398 497 L CA 1.245 56.111 54.840 0.044 0.000 0.998 497 L CB -0.359 41.723 42.059 0.038 0.000 1.985 497 L HN 0.819 nan 8.230 nan 0.000 0.493 514 G N -0.143 108.951 108.800 0.489 0.000 2.770 514 G HA2 0.009 3.969 3.960 -0.000 0.000 0.212 514 G HA3 0.009 3.969 3.960 -0.000 0.000 0.212 514 G C 0.403 175.599 174.900 0.493 0.000 1.357 514 G CA 1.405 46.774 45.100 0.449 0.000 0.837 514 G HN 0.763 nan 8.290 nan 0.000 0.610 515 W N -0.463 120.853 121.300 0.027 0.000 1.879 515 W HA -0.344 4.316 4.660 -0.000 0.000 0.326 515 W C 2.233 178.628 176.519 -0.206 0.000 1.818 515 W CA 1.938 59.190 57.345 -0.154 0.000 2.127 515 W CB -1.965 27.348 29.460 -0.245 0.000 0.931 515 W HN 0.254 nan 8.180 nan 0.000 0.458 516 F N -0.199 119.951 119.950 0.332 0.000 2.074 516 F HA -0.142 4.385 4.527 -0.000 0.000 0.293 516 F C 2.365 178.343 175.800 0.296 0.000 1.116 516 F CA 1.875 60.033 58.000 0.265 0.000 1.212 516 F CB -1.329 37.827 39.000 0.261 0.000 0.998 516 F HN -0.114 nan 8.300 nan 0.000 0.471 517 N N 0.566 119.522 118.700 0.427 0.000 2.096 517 N HA -0.221 4.519 4.740 -0.000 0.000 0.195 517 N C 1.866 177.508 175.510 0.221 0.000 1.017 517 N CA 1.436 54.645 53.050 0.264 0.000 0.870 517 N CB -0.598 38.000 38.487 0.184 0.000 1.024 517 N HN 0.300 nan 8.380 nan 0.000 0.434 518 R N 0.165 120.773 120.500 0.180 0.000 2.096 518 R HA -0.019 4.321 4.340 -0.000 0.000 0.229 518 R C 2.344 178.680 176.300 0.060 0.000 1.134 518 R CA 1.267 57.424 56.100 0.094 0.000 0.917 518 R CB -0.334 29.982 30.300 0.028 0.000 0.832 518 R HN 0.151 nan 8.270 nan 0.000 0.430 519 M N -0.205 119.391 119.600 -0.007 0.000 2.106 519 M HA -0.214 4.265 4.480 -0.000 0.000 0.259 519 M C 1.942 178.203 176.300 -0.065 0.000 1.068 519 M CA 1.762 56.995 55.300 -0.111 0.000 1.100 519 M CB -0.479 31.952 32.600 -0.282 0.000 1.351 519 M HN 0.148 nan 8.290 nan 0.000 0.404 520 F N 0.328 120.281 119.950 0.004 0.000 2.216 520 F HA -0.214 4.313 4.527 -0.000 0.000 0.300 520 F C 2.508 178.280 175.800 -0.045 0.000 1.085 520 F CA 1.587 59.590 58.000 0.004 0.000 1.326 520 F CB -0.240 38.775 39.000 0.025 0.000 1.027 520 F HN 0.322 nan 8.300 nan 0.000 0.497 521 E N 0.505 120.783 120.200 0.129 0.000 2.006 521 E HA -0.238 4.111 4.350 -0.000 0.000 0.192 521 E C 2.110 178.747 176.600 0.062 0.000 0.993 521 E CA 1.323 57.716 56.400 -0.011 0.000 0.808 521 E CB 0.054 29.809 29.700 0.092 0.000 0.764 521 E HN 0.161 nan 8.360 nan 0.000 0.449 522 K N 0.599 121.081 120.400 0.135 0.000 2.032 522 K HA -0.217 4.103 4.320 -0.000 0.000 0.218 522 K C 2.291 179.002 176.600 0.185 0.000 1.054 522 K CA 1.802 58.172 56.287 0.139 0.000 0.941 522 K CB -0.840 31.662 32.500 0.003 0.000 0.720 522 K HN 0.027 nan 8.250 nan 0.000 0.449 523 S N -0.377 115.383 115.700 0.101 0.000 2.380 523 S HA -0.220 4.250 4.470 -0.000 0.000 0.229 523 S C 1.832 176.557 174.600 0.208 0.000 1.043 523 S CA 2.138 60.431 58.200 0.156 0.000 1.038 523 S CB -0.494 62.708 63.200 0.003 0.000 0.872 523 S HN 0.445 nan 8.310 nan 0.000 0.456 524 T N 0.690 115.304 114.554 0.100 0.000 2.735 524 T HA 0.082 4.432 4.350 -0.000 0.000 0.256 524 T C 1.299 176.078 174.700 0.131 0.000 1.042 524 T CA 1.285 63.421 62.100 0.060 0.000 1.147 524 T CB -0.471 68.364 68.868 -0.056 0.000 0.865 524 T HN 0.626 nan 8.240 nan 0.000 0.421 525 H N -0.539 118.605 119.070 0.124 0.000 3.342 525 H HA 0.048 4.604 4.556 -0.000 0.000 0.313 525 H C 1.662 177.040 175.328 0.083 0.000 1.025 525 H CA 0.514 56.580 56.048 0.030 0.000 1.245 525 H CB 0.066 29.691 29.762 -0.229 0.000 1.720 525 H HN 0.256 nan 8.280 nan 0.000 0.952 526 H N -2.952 116.228 119.070 0.184 0.000 4.784 526 H HA -0.259 4.297 4.556 -0.000 0.000 0.074 526 H C 1.032 176.504 175.328 0.239 0.000 0.597 526 H CA 1.926 58.096 56.048 0.203 0.000 0.998 526 H CB -1.319 28.574 29.762 0.217 0.000 0.434 526 H HN 0.523 nan 8.280 nan 0.000 0.784 527 Y N 0.264 120.686 120.300 0.203 0.000 3.127 527 Y HA 0.204 4.754 4.550 -0.000 0.000 0.196 527 Y C 2.471 178.369 175.900 -0.003 0.000 0.920 527 Y CA 1.910 60.078 58.100 0.113 0.000 1.664 527 Y CB -0.301 38.236 38.460 0.129 0.000 1.399 527 Y HN 0.144 nan 8.280 nan 0.000 0.435 528 T N 1.465 115.815 114.554 -0.339 0.000 2.699 528 T HA -0.168 4.182 4.350 -0.000 0.000 0.268 528 T C 1.162 175.649 174.700 -0.355 0.000 1.036 528 T CA 1.965 63.753 62.100 -0.520 0.000 1.147 528 T CB -0.391 68.338 68.868 -0.231 0.000 0.862 528 T HN 0.390 nan 8.240 nan 0.000 0.446 529 D N 1.510 121.809 120.400 -0.169 0.000 2.144 529 D HA -0.037 4.603 4.640 -0.000 0.000 0.200 529 D C 2.357 178.559 176.300 -0.163 0.000 0.978 529 D CA 1.139 55.059 54.000 -0.133 0.000 0.833 529 D CB -0.497 40.271 40.800 -0.055 0.000 0.961 529 D HN 0.417 nan 8.370 nan 0.000 0.470 530 S N 0.064 115.671 115.700 -0.154 0.000 2.547 530 S HA -0.032 4.438 4.470 -0.000 0.000 0.235 530 S C 2.115 176.507 174.600 -0.345 0.000 0.980 530 S CA 0.219 58.313 58.200 -0.177 0.000 0.941 530 S CB 0.000 63.144 63.200 -0.093 0.000 0.763 530 S HN 0.107 nan 8.310 nan 0.000 0.532 531 V N 1.594 121.219 119.914 -0.482 0.000 2.500 531 V HA 0.113 4.233 4.120 -0.000 0.000 0.243 531 V C 2.658 178.470 176.094 -0.469 0.000 1.039 531 V CA 1.455 63.394 62.300 -0.601 0.000 1.053 531 V CB -1.412 29.864 31.823 -0.910 0.000 0.695 531 V HN 0.553 nan 8.190 nan 0.000 0.463 532 G N 0.429 108.999 108.800 -0.384 0.000 2.471 532 G HA2 -0.091 3.868 3.960 -0.000 0.000 0.219 532 G HA3 -0.091 3.868 3.960 -0.000 0.000 0.219 532 G C 1.535 176.312 174.900 -0.204 0.000 1.125 532 G CA 0.933 45.862 45.100 -0.285 0.000 0.775 532 G HN 0.572 nan 8.290 nan 0.000 0.548 533 G N 1.392 110.088 108.800 -0.173 0.000 2.403 533 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.216 533 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.216 533 G C 1.789 176.675 174.900 -0.023 0.000 1.154 533 G CA 0.972 46.022 45.100 -0.083 0.000 0.784 533 G HN 0.576 nan 8.290 nan 0.000 0.538 534 I N -1.757 118.775 120.570 -0.063 0.000 2.339 534 I HA 0.126 4.295 4.170 -0.000 0.000 0.245 534 I C 2.535 178.609 176.117 -0.072 0.000 1.096 534 I CA 0.514 61.874 61.300 0.100 0.000 1.408 534 I CB -0.579 37.418 38.000 -0.005 0.000 1.092 534 I HN 0.002 nan 8.210 nan 0.000 0.423 535 L N 0.959 121.939 121.223 -0.405 0.000 2.103 535 L HA -0.248 4.092 4.340 -0.000 0.000 0.215 535 L C 2.989 179.693 176.870 -0.276 0.000 1.080 535 L CA 1.691 56.212 54.840 -0.531 0.000 0.764 535 L CB -0.626 41.154 42.059 -0.465 0.000 0.890 535 L HN 0.270 nan 8.230 nan 0.000 0.435 536 R N -0.041 120.366 120.500 -0.155 0.000 2.103 536 R HA -0.126 4.214 4.340 -0.000 0.000 0.234 536 R C 1.466 177.757 176.300 -0.016 0.000 1.132 536 R CA 1.520 57.574 56.100 -0.078 0.000 0.925 536 R CB -0.341 29.931 30.300 -0.046 0.000 0.842 536 R HN 0.496 nan 8.270 nan 0.000 0.430 537 S N -1.671 114.070 115.700 0.068 0.000 2.626 537 S HA 0.152 4.622 4.470 -0.000 0.000 0.257 537 S C 0.609 175.344 174.600 0.224 0.000 1.288 537 S CA -0.068 58.220 58.200 0.147 0.000 0.980 537 S CB 1.854 65.179 63.200 0.208 0.000 0.975 537 S HN 0.250 nan 8.310 nan 0.000 0.577 538 T N -0.909 113.815 114.554 0.283 0.000 3.827 538 T HA 0.236 4.586 4.350 -0.000 0.000 0.307 538 T C 1.637 176.524 174.700 0.312 0.000 0.930 538 T CA 0.092 62.424 62.100 0.387 0.000 1.171 538 T CB -1.152 67.834 68.868 0.197 0.000 1.092 538 T HN 0.718 nan 8.240 nan 0.000 0.489 539 G N 1.170 110.067 108.800 0.161 0.000 2.509 539 G HA2 -0.140 3.819 3.960 -0.000 0.000 0.218 539 G HA3 -0.140 3.819 3.960 -0.000 0.000 0.218 539 G C 1.381 176.307 174.900 0.044 0.000 1.124 539 G CA 0.910 46.067 45.100 0.095 0.000 0.776 539 G HN 0.382 nan 8.290 nan 0.000 0.547 540 R N -0.897 119.600 120.500 -0.005 0.000 2.075 540 R HA 0.047 4.387 4.340 -0.000 0.000 0.226 540 R C 1.733 177.912 176.300 -0.201 0.000 1.114 540 R CA 0.717 56.721 56.100 -0.159 0.000 0.972 540 R CB -0.219 29.890 30.300 -0.319 0.000 0.869 540 R HN 0.473 nan 8.270 nan 0.000 0.437 541 Y N -0.160 120.164 120.300 0.039 0.000 2.546 541 Y HA -0.018 4.532 4.550 -0.000 0.000 0.287 541 Y C 1.722 177.563 175.900 -0.098 0.000 1.158 541 Y CA -0.028 58.009 58.100 -0.105 0.000 1.307 541 Y CB 0.286 38.518 38.460 -0.380 0.000 1.036 541 Y HN 0.140 nan 8.280 nan 0.000 0.532 542 L N -1.399 119.898 121.223 0.123 0.000 2.168 542 L HA -0.035 4.304 4.340 -0.000 0.000 0.203 542 L C 1.997 178.946 176.870 0.131 0.000 1.078 542 L CA 0.906 55.821 54.840 0.126 0.000 0.780 542 L CB -0.353 41.776 42.059 0.117 0.000 0.939 542 L HN -0.058 nan 8.230 nan 0.000 0.451 543 V N -0.092 119.863 119.914 0.069 0.000 2.759 543 V HA -0.226 3.893 4.120 -0.000 0.000 0.256 543 V C 2.325 178.432 176.094 0.020 0.000 1.080 543 V CA 1.577 63.899 62.300 0.036 0.000 1.101 543 V CB -0.100 31.723 31.823 -0.000 0.000 0.698 543 V HN 0.439 nan 8.190 nan 0.000 0.477 544 L N -0.921 120.317 121.223 0.025 0.000 2.095 544 L HA -0.108 4.232 4.340 -0.000 0.000 0.204 544 L C 2.245 179.137 176.870 0.037 0.000 1.080 544 L CA 1.899 56.745 54.840 0.010 0.000 0.759 544 L CB -0.693 41.377 42.059 0.018 0.000 0.914 544 L HN 0.487 nan 8.230 nan 0.000 0.439 545 Y N -0.347 119.939 120.300 -0.023 0.000 2.207 545 Y HA -0.255 4.295 4.550 -0.000 0.000 0.287 545 Y C 1.963 177.854 175.900 -0.015 0.000 1.156 545 Y CA 2.039 60.128 58.100 -0.018 0.000 1.182 545 Y CB -0.181 38.272 38.460 -0.013 0.000 0.979 545 Y HN 0.193 nan 8.280 nan 0.000 0.521 546 L N -0.517 120.700 121.223 -0.011 0.000 2.179 546 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 546 L C 2.417 179.212 176.870 -0.124 0.000 1.096 546 L CA 0.617 55.401 54.840 -0.092 0.000 0.779 546 L CB -0.417 41.670 42.059 0.046 0.000 0.922 546 L HN 0.233 nan 8.230 nan 0.000 0.443 547 I N 0.020 120.540 120.570 -0.083 0.000 2.361 547 I HA -0.300 3.870 4.170 -0.000 0.000 0.251 547 I C 2.387 178.440 176.117 -0.107 0.000 1.133 547 I CA 1.630 62.881 61.300 -0.081 0.000 1.413 547 I CB -0.005 37.958 38.000 -0.061 0.000 1.073 547 I HN 0.242 nan 8.210 nan 0.000 0.424 548 I N -0.295 120.183 120.570 -0.153 0.000 2.252 548 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 548 I C 2.405 178.410 176.117 -0.186 0.000 1.102 548 I CA 1.056 62.258 61.300 -0.164 0.000 1.385 548 I CB -0.126 37.758 38.000 -0.194 0.000 1.064 548 I HN -0.044 nan 8.210 nan 0.000 0.414 549 V N 0.016 119.760 119.914 -0.282 0.000 2.307 549 V HA -0.240 3.880 4.120 -0.000 0.000 0.245 549 V C 2.420 178.439 176.094 -0.126 0.000 1.045 549 V CA 1.483 63.640 62.300 -0.238 0.000 1.024 549 V CB -0.352 31.293 31.823 -0.297 0.000 0.651 549 V HN 0.219 nan 8.190 nan 0.000 0.449 550 V N 1.017 120.870 119.914 -0.101 0.000 2.278 550 V HA -0.299 3.821 4.120 -0.000 0.000 0.251 550 V C 2.611 178.700 176.094 -0.008 0.000 1.062 550 V CA 2.503 64.771 62.300 -0.053 0.000 1.038 550 V CB -1.493 30.296 31.823 -0.057 0.000 0.646 550 V HN 0.627 nan 8.190 nan 0.000 0.447 551 G N -1.530 107.263 108.800 -0.012 0.000 2.421 551 G HA2 -0.306 3.653 3.960 -0.000 0.000 0.216 551 G HA3 -0.306 3.653 3.960 -0.000 0.000 0.216 551 G C 1.611 176.560 174.900 0.081 0.000 1.171 551 G CA 1.016 46.147 45.100 0.052 0.000 0.775 551 G HN 0.358 nan 8.290 nan 0.000 0.543 552 M N 0.836 120.444 119.600 0.014 0.000 2.146 552 M HA -0.200 4.279 4.480 -0.000 0.000 0.256 552 M C 2.702 179.016 176.300 0.024 0.000 1.075 552 M CA 1.822 57.127 55.300 0.008 0.000 1.082 552 M CB -0.329 32.229 32.600 -0.069 0.000 1.355 552 M HN 0.352 nan 8.290 nan 0.000 0.402 553 A N -0.652 122.175 122.820 0.010 0.000 1.819 553 A HA -0.250 4.070 4.320 -0.000 0.000 0.215 553 A C 1.818 179.503 177.584 0.168 0.000 1.226 553 A CA 1.547 53.606 52.037 0.037 0.000 0.608 553 A CB -1.651 17.359 19.000 0.017 0.000 0.877 553 A HN 0.597 nan 8.150 nan 0.000 0.452 554 Y N 0.343 120.671 120.300 0.046 0.000 2.215 554 Y HA -0.200 4.350 4.550 -0.000 0.000 0.282 554 Y C 1.546 177.495 175.900 0.082 0.000 1.207 554 Y CA 1.862 59.996 58.100 0.055 0.000 1.196 554 Y CB -0.258 38.217 38.460 0.025 0.000 0.969 554 Y HN 0.214 nan 8.280 nan 0.000 0.528 555 L N -0.461 120.833 121.223 0.118 0.000 2.715 555 L HA 0.009 4.349 4.340 -0.000 0.000 0.238 555 L C 0.669 177.619 176.870 0.134 0.000 1.212 555 L CA 0.385 55.264 54.840 0.065 0.000 1.017 555 L CB -0.461 41.672 42.059 0.124 0.000 1.269 555 L HN 0.421 nan 8.230 nan 0.000 0.452 556 F N -2.586 117.327 119.950 -0.061 0.000 1.992 556 F HA 0.004 4.530 4.527 -0.000 0.000 0.291 556 F C 1.607 177.380 175.800 -0.046 0.000 0.983 556 F CA 0.217 58.208 58.000 -0.014 0.000 1.181 556 F CB 0.251 39.258 39.000 0.012 0.000 1.419 556 F HN -0.254 nan 8.300 nan 0.000 0.616 557 V N 1.475 121.533 119.914 0.240 0.000 2.407 557 V HA -0.205 3.915 4.120 -0.000 0.000 0.248 557 V C 2.276 178.321 176.094 -0.081 0.000 1.055 557 V CA 2.265 64.617 62.300 0.087 0.000 1.049 557 V CB -0.808 31.074 31.823 0.100 0.000 0.662 557 V HN 0.209 nan 8.190 nan 0.000 0.455 558 R N -0.373 120.025 120.500 -0.169 0.000 2.127 558 R HA 0.178 4.517 4.340 -0.000 0.000 0.217 558 R C 0.842 177.031 176.300 -0.185 0.000 1.074 558 R CA 0.134 56.100 56.100 -0.224 0.000 0.991 558 R CB -0.734 29.313 30.300 -0.421 0.000 0.895 558 R HN 0.489 nan 8.270 nan 0.000 0.450 559 L N 3.545 124.657 121.223 -0.186 0.000 2.584 559 L HA 0.135 4.475 4.340 -0.000 0.000 0.272 559 L C -2.095 174.664 176.870 -0.186 0.000 1.195 559 L CA -1.131 53.601 54.840 -0.180 0.000 0.920 559 L CB 0.279 42.224 42.059 -0.189 0.000 1.173 559 L HN 0.078 nan 8.230 nan 0.000 0.489 560 P HA 0.118 nan 4.420 nan 0.000 0.274 560 P C -0.910 176.329 177.300 -0.102 0.000 1.237 560 P CA -0.516 62.518 63.100 -0.111 0.000 0.793 560 P CB 1.259 32.910 31.700 -0.081 0.000 0.977 561 S N 0.052 115.706 115.700 -0.077 0.000 2.646 561 S HA 0.636 5.105 4.470 -0.000 0.000 0.276 561 S C -0.251 174.347 174.600 -0.002 0.000 1.222 561 S CA -0.110 58.063 58.200 -0.044 0.000 1.014 561 S CB 0.042 63.215 63.200 -0.045 0.000 0.991 561 S HN 0.548 nan 8.310 nan 0.000 0.533 562 S N 0.514 116.240 115.700 0.043 0.000 2.661 562 S HA 0.508 4.978 4.470 -0.000 0.000 0.268 562 S C -0.845 173.854 174.600 0.165 0.000 1.162 562 S CA -0.504 57.744 58.200 0.080 0.000 0.817 562 S CB 0.913 64.145 63.200 0.054 0.000 1.141 562 S HN 0.706 nan 8.310 nan 0.000 0.477 563 F N 0.532 120.468 119.950 -0.024 0.000 2.532 563 F HA 0.721 5.248 4.527 -0.000 0.000 0.276 563 F C -0.747 174.999 175.800 -0.090 0.000 0.911 563 F CA 0.160 58.126 58.000 -0.057 0.000 1.196 563 F CB 0.253 39.212 39.000 -0.069 0.000 1.087 563 F HN 0.383 nan 8.300 nan 0.000 0.775 564 L N 2.087 123.153 121.223 -0.262 0.000 2.588 564 L HA 0.450 4.790 4.340 -0.000 0.000 0.263 564 L C -2.716 174.115 176.870 -0.065 0.000 0.935 564 L CA -1.746 52.879 54.840 -0.359 0.000 0.891 564 L CB 1.436 43.080 42.059 -0.692 0.000 1.318 564 L HN -0.069 nan 8.230 nan 0.000 0.409 565 P HA 0.142 nan 4.420 nan 0.000 0.267 565 P C -1.066 176.286 177.300 0.087 0.000 1.205 565 P CA -0.081 63.074 63.100 0.092 0.000 0.765 565 P CB 0.585 32.375 31.700 0.150 0.000 0.828 566 D N 3.451 123.892 120.400 0.069 0.000 2.371 566 D HA 0.082 4.722 4.640 -0.000 0.000 0.256 566 D C 0.409 176.761 176.300 0.087 0.000 1.193 566 D CA 0.416 54.457 54.000 0.069 0.000 0.881 566 D CB 1.413 42.249 40.800 0.059 0.000 1.143 566 D HN 0.397 nan 8.370 nan 0.000 0.473 567 E N 1.099 121.361 120.200 0.104 0.000 2.222 567 E HA 0.124 4.474 4.350 -0.000 0.000 0.267 567 E C -0.404 176.279 176.600 0.137 0.000 0.963 567 E CA -0.819 55.667 56.400 0.143 0.000 0.837 567 E CB 1.670 31.505 29.700 0.225 0.000 1.183 567 E HN 0.313 nan 8.360 nan 0.000 0.403 568 D N 1.324 121.848 120.400 0.207 0.000 2.371 568 D HA -0.031 4.609 4.640 -0.000 0.000 0.256 568 D C -0.097 176.462 176.300 0.431 0.000 1.193 568 D CA 0.621 54.792 54.000 0.285 0.000 0.881 568 D CB 0.862 41.892 40.800 0.383 0.000 1.143 568 D HN 0.346 nan 8.370 nan 0.000 0.473 569 Q N 1.775 121.685 119.800 0.184 0.000 2.194 569 Q HA 0.244 4.583 4.340 -0.000 0.000 0.214 569 Q C 1.084 177.059 176.000 -0.041 0.000 0.838 569 Q CA 0.203 55.981 55.803 -0.042 0.000 0.972 569 Q CB 0.510 29.046 28.738 -0.337 0.000 1.131 569 Q HN 0.793 nan 8.270 nan 0.000 0.498 570 G N 0.266 108.911 108.800 -0.259 0.000 2.168 570 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.257 570 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.257 570 G C -0.197 174.543 174.900 -0.265 0.000 0.997 570 G CA 0.533 45.283 45.100 -0.584 0.000 0.708 570 G HN 0.281 nan 8.290 nan 0.000 0.520 571 V N -0.052 119.788 119.914 -0.123 0.000 2.818 571 V HA 0.565 4.684 4.120 -0.000 0.000 0.283 571 V C -0.319 175.802 176.094 0.046 0.000 1.366 571 V CA -0.391 61.835 62.300 -0.123 0.000 0.934 571 V CB 1.149 32.748 31.823 -0.374 0.000 1.100 571 V HN 1.084 nan 8.190 nan 0.000 0.447 572 F N 4.429 124.338 119.950 -0.068 0.000 2.849 572 F HA 0.990 5.517 4.527 -0.000 0.000 0.341 572 F C -0.638 175.196 175.800 0.057 0.000 1.185 572 F CA -1.156 56.837 58.000 -0.010 0.000 1.007 572 F CB 2.145 41.114 39.000 -0.052 0.000 1.454 572 F HN 0.517 nan 8.300 nan 0.000 0.518 573 M N 0.930 120.405 119.600 -0.207 0.000 2.603 573 M HA 0.581 5.061 4.480 -0.000 0.000 0.275 573 M C -1.971 174.065 176.300 -0.440 0.000 1.226 573 M CA -0.455 54.670 55.300 -0.290 0.000 0.870 573 M CB 2.074 34.713 32.600 0.065 0.000 1.716 573 M HN 0.876 nan 8.290 nan 0.000 0.482 574 T N 2.509 116.974 114.554 -0.149 0.000 2.916 574 T HA 0.733 5.083 4.350 -0.000 0.000 0.298 574 T C -0.911 173.851 174.700 0.103 0.000 1.031 574 T CA -0.796 61.306 62.100 0.002 0.000 0.993 574 T CB 1.508 70.548 68.868 0.286 0.000 1.045 574 T HN 0.902 nan 8.240 nan 0.000 0.454 575 M N 3.934 123.700 119.600 0.276 0.000 2.436 575 M HA 0.841 5.321 4.480 -0.000 0.000 0.331 575 M C -1.525 174.854 176.300 0.132 0.000 1.135 575 M CA -0.782 54.671 55.300 0.255 0.000 0.987 575 M CB 1.855 34.722 32.600 0.446 0.000 1.687 575 M HN 0.304 nan 8.290 nan 0.000 0.445 576 V N 2.286 122.215 119.914 0.026 0.000 2.769 576 V HA 0.730 4.850 4.120 -0.000 0.000 0.312 576 V C -0.717 175.370 176.094 -0.012 0.000 1.058 576 V CA -0.459 61.808 62.300 -0.055 0.000 0.952 576 V CB 1.627 33.378 31.823 -0.120 0.000 1.019 576 V HN 0.999 nan 8.190 nan 0.000 0.445 577 Q N 2.419 122.195 119.800 -0.040 0.000 2.378 577 Q HA 0.546 4.886 4.340 -0.000 0.000 0.262 577 Q C -2.556 173.426 176.000 -0.030 0.000 0.978 577 Q CA -0.414 55.386 55.803 -0.006 0.000 0.918 577 Q CB 1.700 30.463 28.738 0.042 0.000 1.415 577 Q HN 0.567 nan 8.270 nan 0.000 0.409 578 L N 4.431 125.647 121.223 -0.012 0.000 2.322 578 L HA 0.742 5.082 4.340 -0.000 0.000 0.269 578 L C -2.113 174.759 176.870 0.003 0.000 1.012 578 L CA -1.889 52.941 54.840 -0.017 0.000 0.815 578 L CB 1.576 43.624 42.059 -0.018 0.000 1.295 578 L HN 0.754 nan 8.230 nan 0.000 0.438 579 P HA 0.115 nan 4.420 nan 0.000 0.277 579 P C -0.716 176.599 177.300 0.025 0.000 1.271 579 P CA -0.487 62.621 63.100 0.014 0.000 0.795 579 P CB 0.450 32.153 31.700 0.005 0.000 1.101 580 A N 0.425 123.268 122.820 0.038 0.000 1.898 580 A HA 0.129 4.449 4.320 -0.000 0.000 0.338 580 A C 1.338 178.951 177.584 0.049 0.000 0.853 580 A CA 0.957 53.027 52.037 0.055 0.000 1.514 580 A CB -2.258 16.778 19.000 0.060 0.000 0.632 580 A HN 1.037 nan 8.150 nan 0.000 0.231 581 G N 0.946 109.781 108.800 0.059 0.000 2.350 581 G HA2 0.157 4.117 3.960 -0.000 0.000 0.298 581 G HA3 0.157 4.117 3.960 -0.000 0.000 0.298 581 G C 0.554 175.478 174.900 0.039 0.000 1.037 581 G CA 0.738 45.874 45.100 0.060 0.000 1.074 581 G HN 2.378 nan 8.290 nan 0.000 0.511 582 A N -0.217 122.619 122.820 0.026 0.000 2.280 582 A HA 0.930 5.250 4.320 -0.000 0.000 0.268 582 A C 1.075 178.667 177.584 0.014 0.000 1.111 582 A CA 0.835 52.879 52.037 0.011 0.000 0.814 582 A CB 0.530 19.529 19.000 -0.001 0.000 1.093 582 A HN 1.845 nan 8.150 nan 0.000 0.498 583 T N -2.576 111.980 114.554 0.003 0.000 2.870 583 T HA 0.375 4.725 4.350 -0.000 0.000 0.277 583 T C 0.874 175.570 174.700 -0.006 0.000 1.000 583 T CA 0.080 62.181 62.100 0.002 0.000 0.982 583 T CB 1.031 69.897 68.868 -0.005 0.000 1.249 583 T HN 0.613 nan 8.240 nan 0.000 0.589 584 Q N -0.439 119.357 119.800 -0.007 0.000 2.167 584 Q HA -0.096 4.243 4.340 -0.000 0.000 0.202 584 Q C 2.059 178.045 176.000 -0.024 0.000 0.970 584 Q CA 1.190 56.986 55.803 -0.011 0.000 0.855 584 Q CB -0.013 28.723 28.738 -0.005 0.000 0.911 584 Q HN 0.770 nan 8.270 nan 0.000 0.438 585 E N -0.047 120.136 120.200 -0.028 0.000 2.107 585 E HA -0.145 4.204 4.350 -0.000 0.000 0.191 585 E C 2.056 178.632 176.600 -0.039 0.000 0.982 585 E CA 0.513 56.892 56.400 -0.035 0.000 0.809 585 E CB 0.183 29.861 29.700 -0.036 0.000 0.756 585 E HN 0.261 nan 8.360 nan 0.000 0.459 586 R N -0.253 120.226 120.500 -0.036 0.000 2.075 586 R HA -0.078 4.262 4.340 -0.000 0.000 0.232 586 R C 2.409 178.677 176.300 -0.053 0.000 1.126 586 R CA 1.458 57.534 56.100 -0.041 0.000 0.963 586 R CB -0.525 29.756 30.300 -0.032 0.000 0.858 586 R HN 0.095 nan 8.270 nan 0.000 0.435 587 T N 0.139 114.663 114.554 -0.049 0.000 2.904 587 T HA -0.148 4.201 4.350 -0.000 0.000 0.267 587 T C 1.726 176.376 174.700 -0.083 0.000 1.059 587 T CA 1.284 63.346 62.100 -0.063 0.000 1.137 587 T CB 0.103 68.944 68.868 -0.045 0.000 0.879 587 T HN 0.178 nan 8.240 nan 0.000 0.467 588 Q N 1.108 120.866 119.800 -0.071 0.000 2.230 588 Q HA 0.010 4.350 4.340 -0.000 0.000 0.202 588 Q C 2.105 178.047 176.000 -0.096 0.000 0.963 588 Q CA 1.631 57.386 55.803 -0.080 0.000 0.866 588 Q CB -0.253 28.449 28.738 -0.059 0.000 0.931 588 Q HN 0.577 nan 8.270 nan 0.000 0.452 589 K N -0.782 119.566 120.400 -0.087 0.000 2.097 589 K HA -0.106 4.213 4.320 -0.000 0.000 0.206 589 K C 1.595 178.113 176.600 -0.136 0.000 1.049 589 K CA 1.546 57.777 56.287 -0.094 0.000 0.933 589 K CB -0.037 32.420 32.500 -0.072 0.000 0.717 589 K HN 0.175 nan 8.250 nan 0.000 0.442 590 V N 1.376 121.202 119.914 -0.146 0.000 2.548 590 V HA -0.153 3.966 4.120 -0.000 0.000 0.249 590 V C 2.143 178.079 176.094 -0.263 0.000 1.055 590 V CA 1.195 63.377 62.300 -0.197 0.000 1.065 590 V CB -0.232 31.482 31.823 -0.182 0.000 0.681 590 V HN 0.291 nan 8.190 nan 0.000 0.462 591 L N 0.181 121.271 121.223 -0.221 0.000 2.291 591 L HA -0.042 4.298 4.340 -0.000 0.000 0.214 591 L C 2.258 178.972 176.870 -0.260 0.000 1.120 591 L CA 0.842 55.542 54.840 -0.235 0.000 0.799 591 L CB -0.418 41.539 42.059 -0.171 0.000 0.925 591 L HN 0.362 nan 8.230 nan 0.000 0.446 592 N N -0.164 118.373 118.700 -0.272 0.000 2.173 592 N HA -0.132 4.607 4.740 -0.000 0.000 0.184 592 N C 1.662 176.664 175.510 -0.848 0.000 1.025 592 N CA 0.959 53.776 53.050 -0.388 0.000 0.852 592 N CB -0.073 38.291 38.487 -0.205 0.000 0.998 592 N HN 0.312 nan 8.380 nan 0.000 0.427 593 E N 0.471 120.342 120.200 -0.547 0.000 2.171 593 E HA -0.122 4.228 4.350 -0.000 0.000 0.197 593 E C 1.790 178.172 176.600 -0.365 0.000 0.997 593 E CA 0.756 56.896 56.400 -0.433 0.000 0.810 593 E CB 0.086 29.651 29.700 -0.226 0.000 0.738 593 E HN 0.048 nan 8.360 nan 0.000 0.467 594 V N 0.552 120.192 119.914 -0.457 0.000 2.379 594 V HA -0.189 3.931 4.120 -0.000 0.000 0.245 594 V C 2.163 178.029 176.094 -0.380 0.000 1.044 594 V CA 1.920 63.883 62.300 -0.561 0.000 1.036 594 V CB -0.326 31.051 31.823 -0.743 0.000 0.664 594 V HN 0.312 nan 8.190 nan 0.000 0.453 595 T N -0.924 113.464 114.554 -0.277 0.000 2.929 595 T HA -0.158 4.192 4.350 -0.000 0.000 0.271 595 T C 1.623 176.464 174.700 0.234 0.000 1.085 595 T CA 1.379 63.468 62.100 -0.018 0.000 1.125 595 T CB -0.259 68.632 68.868 0.039 0.000 0.874 595 T HN 0.580 nan 8.240 nan 0.000 0.494 596 H N -1.085 117.985 119.070 -0.001 0.000 2.486 596 H HA 0.196 4.752 4.556 -0.000 0.000 0.287 596 H C 1.723 177.105 175.328 0.090 0.000 1.010 596 H CA -0.058 56.014 56.048 0.039 0.000 1.324 596 H CB -0.839 28.939 29.762 0.026 0.000 1.446 596 H HN 0.394 nan 8.280 nan 0.000 0.537 597 Y N 0.926 121.296 120.300 0.118 0.000 2.207 597 Y HA -0.320 4.230 4.550 -0.000 0.000 0.287 597 Y C 1.474 177.524 175.900 0.251 0.000 1.156 597 Y CA 1.500 59.672 58.100 0.120 0.000 1.182 597 Y CB -0.187 38.324 38.460 0.086 0.000 0.979 597 Y HN 0.068 nan 8.280 nan 0.000 0.521 598 Y N -1.218 119.262 120.300 0.300 0.000 2.475 598 Y HA -0.012 4.538 4.550 -0.000 0.000 0.289 598 Y C 1.948 177.895 175.900 0.079 0.000 1.121 598 Y CA 0.365 58.581 58.100 0.193 0.000 1.257 598 Y CB -0.639 37.953 38.460 0.221 0.000 1.026 598 Y HN 0.168 nan 8.280 nan 0.000 0.555 599 L N -1.672 119.679 121.223 0.213 0.000 2.208 599 L HA -0.049 4.291 4.340 -0.000 0.000 0.196 599 L C 2.457 179.343 176.870 0.027 0.000 1.130 599 L CA 1.224 56.116 54.840 0.087 0.000 0.791 599 L CB -0.907 41.176 42.059 0.041 0.000 0.969 599 L HN -0.067 nan 8.230 nan 0.000 0.468 600 T N -0.385 114.177 114.554 0.014 0.000 2.788 600 T HA -0.165 4.185 4.350 -0.000 0.000 0.268 600 T C 1.452 176.122 174.700 -0.049 0.000 1.044 600 T CA 1.495 63.583 62.100 -0.021 0.000 1.139 600 T CB 0.044 68.903 68.868 -0.015 0.000 0.867 600 T HN 0.094 nan 8.240 nan 0.000 0.454 601 K N 0.313 120.653 120.400 -0.100 0.000 2.440 601 K HA 0.241 4.560 4.320 -0.000 0.000 0.206 601 K C -0.012 176.437 176.600 -0.251 0.000 1.025 601 K CA 0.073 56.226 56.287 -0.223 0.000 1.135 601 K CB 0.620 32.873 32.500 -0.411 0.000 0.856 601 K HN 0.131 nan 8.250 nan 0.000 0.502 602 E N 0.226 120.362 120.200 -0.106 0.000 3.653 602 E HA 0.087 4.437 4.350 -0.000 0.000 0.275 602 E C -0.175 176.429 176.600 0.006 0.000 1.139 602 E CA 0.091 56.467 56.400 -0.041 0.000 1.227 602 E CB 0.247 29.965 29.700 0.030 0.000 1.277 602 E HN -0.033 nan 8.360 nan 0.000 0.394 603 K N -0.412 119.981 120.400 -0.011 0.000 2.116 603 K HA 0.015 4.334 4.320 -0.000 0.000 0.203 603 K C 1.086 177.685 176.600 -0.001 0.000 1.052 603 K CA 1.141 57.426 56.287 -0.003 0.000 0.952 603 K CB 0.099 32.592 32.500 -0.012 0.000 0.729 603 K HN 0.126 nan 8.250 nan 0.000 0.446 604 N N 0.819 119.516 118.700 -0.006 0.000 2.331 604 N HA -0.083 4.657 4.740 -0.000 0.000 0.180 604 N C 0.979 176.488 175.510 -0.001 0.000 1.019 604 N CA 1.164 54.213 53.050 -0.003 0.000 0.881 604 N CB 0.031 38.516 38.487 -0.005 0.000 0.972 604 N HN 0.278 nan 8.380 nan 0.000 0.435 605 N N -1.015 117.686 118.700 0.001 0.000 2.482 605 N HA 0.112 4.852 4.740 -0.000 0.000 0.179 605 N C -0.670 174.842 175.510 0.002 0.000 1.039 605 N CA 0.017 53.067 53.050 0.000 0.000 0.884 605 N CB 0.886 39.376 38.487 0.005 0.000 1.113 605 N HN -0.117 nan 8.380 nan 0.000 0.440 606 V N 1.642 121.567 119.914 0.017 0.000 2.407 606 V HA 0.121 4.241 4.120 -0.000 0.000 0.278 606 V C 0.910 177.012 176.094 0.014 0.000 1.037 606 V CA -0.102 62.210 62.300 0.019 0.000 0.900 606 V CB 1.591 33.443 31.823 0.048 0.000 0.983 606 V HN 0.116 nan 8.190 nan 0.000 0.459 607 E N 3.687 123.893 120.200 0.010 0.000 2.102 607 E HA 0.038 4.388 4.350 -0.000 0.000 0.190 607 E C 0.815 177.434 176.600 0.032 0.000 0.971 607 E CA 1.042 57.455 56.400 0.023 0.000 0.821 607 E CB 0.382 30.099 29.700 0.027 0.000 0.777 607 E HN 0.859 nan 8.360 nan 0.000 0.460 608 S N -1.789 113.939 115.700 0.046 0.000 2.615 608 S HA 0.680 5.149 4.470 -0.000 0.000 0.269 608 S C -1.154 173.491 174.600 0.075 0.000 1.161 608 S CA -0.623 57.597 58.200 0.034 0.000 0.817 608 S CB 1.509 64.826 63.200 0.194 0.000 1.131 608 S HN -0.037 nan 8.310 nan 0.000 0.467 609 V N 0.953 120.895 119.914 0.047 0.000 3.007 609 V HA 0.730 4.850 4.120 -0.000 0.000 0.311 609 V C -1.546 174.718 176.094 0.284 0.000 1.120 609 V CA -0.653 61.739 62.300 0.154 0.000 0.980 609 V CB 1.770 33.672 31.823 0.132 0.000 1.033 609 V HN 0.949 nan 8.190 nan 0.000 0.429 610 F N 2.651 122.679 119.950 0.130 0.000 2.710 610 F HA 0.754 5.281 4.527 -0.000 0.000 0.345 610 F C 0.490 176.248 175.800 -0.070 0.000 1.362 610 F CA -0.399 57.668 58.000 0.112 0.000 1.175 610 F CB 0.444 39.530 39.000 0.143 0.000 1.561 610 F HN 0.677 nan 8.300 nan 0.000 0.593 611 A N 2.054 124.752 122.820 -0.203 0.000 2.425 611 A HA 0.654 4.974 4.320 -0.000 0.000 0.242 611 A C -0.803 176.585 177.584 -0.327 0.000 1.077 611 A CA -0.174 51.725 52.037 -0.230 0.000 0.781 611 A CB 0.629 19.529 19.000 -0.167 0.000 1.020 611 A HN 0.451 nan 8.150 nan 0.000 0.494 612 V N 2.486 122.260 119.914 -0.233 0.000 2.610 612 V HA 0.215 4.335 4.120 -0.000 0.000 0.298 612 V C -0.234 175.815 176.094 -0.076 0.000 1.067 612 V CA -0.665 61.558 62.300 -0.128 0.000 0.894 612 V CB 1.642 33.454 31.823 -0.019 0.000 1.015 612 V HN 1.014 nan 8.190 nan 0.000 0.432 613 N N 3.456 122.129 118.700 -0.044 0.000 2.420 613 N HA 0.506 5.245 4.740 -0.000 0.000 0.249 613 N C 0.717 176.236 175.510 0.016 0.000 1.033 613 N CA 0.687 53.718 53.050 -0.030 0.000 0.944 613 N CB 0.863 39.328 38.487 -0.037 0.000 1.113 613 N HN 1.156 nan 8.380 nan 0.000 0.502 614 G N 3.705 112.522 108.800 0.027 0.000 2.207 614 G HA2 -0.217 3.742 3.960 -0.000 0.000 0.216 614 G HA3 -0.217 3.742 3.960 -0.000 0.000 0.216 614 G C -0.539 174.448 174.900 0.145 0.000 1.053 614 G CA -0.134 45.002 45.100 0.059 0.000 0.764 614 G HN 0.655 nan 8.290 nan 0.000 0.495 615 F N 0.475 120.387 119.950 -0.063 0.000 3.287 615 F HA 0.542 5.069 4.527 -0.000 0.000 0.379 615 F C 0.335 176.098 175.800 -0.062 0.000 1.268 615 F CA -0.336 57.615 58.000 -0.082 0.000 1.220 615 F CB 0.603 39.515 39.000 -0.146 0.000 1.687 615 F HN 0.352 nan 8.300 nan 0.000 0.648 616 G N 2.413 111.203 108.800 -0.016 0.000 2.511 616 G HA2 0.309 4.269 3.960 -0.000 0.000 0.316 616 G HA3 0.309 4.269 3.960 -0.000 0.000 0.316 616 G C -0.592 174.243 174.900 -0.109 0.000 1.210 616 G CA -0.499 44.536 45.100 -0.108 0.000 0.969 616 G HN 0.587 nan 8.290 nan 0.000 0.492 617 F N 0.460 120.418 119.950 0.013 0.000 2.776 617 F HA 0.244 4.771 4.527 -0.000 0.000 0.300 617 F C 2.506 178.362 175.800 0.092 0.000 1.116 617 F CA 0.213 58.264 58.000 0.086 0.000 1.375 617 F CB 0.226 39.286 39.000 0.101 0.000 1.109 617 F HN 0.431 nan 8.300 nan 0.000 0.585 618 A N -0.380 122.595 122.820 0.259 0.000 1.898 618 A HA 0.311 4.631 4.320 -0.000 0.000 0.216 618 A C 1.955 179.645 177.584 0.176 0.000 1.181 618 A CA 1.968 54.111 52.037 0.178 0.000 0.620 618 A CB -0.830 18.252 19.000 0.137 0.000 0.819 618 A HN 0.450 nan 8.150 nan 0.000 0.442 619 G N -2.415 106.500 108.800 0.191 0.000 2.693 619 G HA2 0.452 4.412 3.960 -0.000 0.000 0.119 619 G HA3 0.452 4.412 3.960 -0.000 0.000 0.119 619 G C -0.226 174.795 174.900 0.202 0.000 1.063 619 G CA 0.139 45.348 45.100 0.182 0.000 1.405 619 G HN 0.448 nan 8.290 nan 0.000 0.626 620 R N -1.300 119.290 120.500 0.150 0.000 2.756 620 R HA 0.567 4.907 4.340 -0.000 0.000 0.273 620 R C -0.872 175.487 176.300 0.097 0.000 1.030 620 R CA 0.213 56.397 56.100 0.139 0.000 0.887 620 R CB 1.780 32.130 30.300 0.083 0.000 1.274 620 R HN 2.104 nan 8.270 nan 0.000 0.461 621 G N 0.297 109.145 108.800 0.080 0.000 2.406 621 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.680 621 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.680 621 G C -0.449 174.486 174.900 0.059 0.000 1.338 621 G CA -0.230 44.908 45.100 0.063 0.000 0.941 621 G HN 0.585 nan 8.290 nan 0.000 0.633 622 Q N -0.292 119.536 119.800 0.047 0.000 2.373 622 Q HA 0.143 4.483 4.340 -0.000 0.000 0.206 622 Q C 1.267 177.284 176.000 0.027 0.000 0.942 622 Q CA 0.482 56.306 55.803 0.035 0.000 0.953 622 Q CB 0.154 28.910 28.738 0.030 0.000 1.022 622 Q HN 0.332 nan 8.270 nan 0.000 0.502 623 N N 1.237 119.958 118.700 0.035 0.000 2.424 623 N HA -0.017 4.723 4.740 -0.000 0.000 0.178 623 N C 0.264 175.785 175.510 0.019 0.000 1.060 623 N CA 0.999 54.066 53.050 0.027 0.000 0.901 623 N CB 0.483 38.994 38.487 0.040 0.000 0.979 623 N HN 0.521 nan 8.380 nan 0.000 0.451 624 T N -3.432 111.139 114.554 0.028 0.000 2.844 624 T HA 0.858 5.208 4.350 -0.000 0.000 0.274 624 T C 0.410 175.105 174.700 -0.008 0.000 0.991 624 T CA -0.608 61.505 62.100 0.022 0.000 0.983 624 T CB 2.070 70.969 68.868 0.052 0.000 1.310 624 T HN 0.057 nan 8.240 nan 0.000 0.596 625 G N -0.962 107.818 108.800 -0.033 0.000 2.441 625 G HA2 0.561 4.521 3.960 -0.000 0.000 0.294 625 G HA3 0.561 4.521 3.960 -0.000 0.000 0.294 625 G C -2.227 172.599 174.900 -0.123 0.000 1.393 625 G CA -0.541 44.511 45.100 -0.081 0.000 0.796 625 G HN 1.094 nan 8.290 nan 0.000 0.494 626 I N -0.285 120.176 120.570 -0.182 0.000 2.750 626 I HA 0.637 4.806 4.170 -0.000 0.000 0.284 626 I C -0.474 175.478 176.117 -0.275 0.000 1.498 626 I CA -0.170 61.008 61.300 -0.202 0.000 1.078 626 I CB 1.490 39.307 38.000 -0.305 0.000 1.423 626 I HN 1.285 nan 8.210 nan 0.000 0.423 627 A N 6.631 129.374 122.820 -0.128 0.000 2.301 627 A HA 0.796 5.116 4.320 -0.000 0.000 0.312 627 A C -1.337 176.323 177.584 0.126 0.000 1.182 627 A CA -0.230 51.772 52.037 -0.058 0.000 0.826 627 A CB 0.374 19.394 19.000 0.033 0.000 1.134 627 A HN 0.458 nan 8.150 nan 0.000 0.501 628 F N 2.771 122.769 119.950 0.080 0.000 2.293 628 F HA 0.350 4.877 4.527 -0.000 0.000 0.370 628 F C 0.226 176.055 175.800 0.047 0.000 1.090 628 F CA -1.207 56.826 58.000 0.055 0.000 1.133 628 F CB 0.986 40.006 39.000 0.033 0.000 1.360 628 F HN 0.249 nan 8.300 nan 0.000 0.489 629 V N 2.236 122.155 119.914 0.009 0.000 2.686 629 V HA 0.337 4.457 4.120 -0.000 0.000 0.295 629 V C 0.391 176.437 176.094 -0.080 0.000 1.055 629 V CA -0.280 61.895 62.300 -0.209 0.000 1.050 629 V CB 1.581 32.846 31.823 -0.930 0.000 0.984 629 V HN 0.706 nan 8.190 nan 0.000 0.482 630 S N 5.456 121.144 115.700 -0.021 0.000 2.664 630 S HA 0.526 4.996 4.470 -0.000 0.000 0.262 630 S C -0.696 173.886 174.600 -0.030 0.000 1.229 630 S CA -0.690 57.503 58.200 -0.013 0.000 1.151 630 S CB 0.029 63.264 63.200 0.059 0.000 1.054 630 S HN 0.545 nan 8.310 nan 0.000 0.483 631 L N 3.571 124.758 121.223 -0.060 0.000 2.461 631 L HA 0.342 4.681 4.340 -0.000 0.000 0.272 631 L C 1.125 177.924 176.870 -0.117 0.000 1.197 631 L CA -0.523 54.278 54.840 -0.065 0.000 0.836 631 L CB 0.365 42.384 42.059 -0.066 0.000 1.105 631 L HN 0.458 nan 8.230 nan 0.000 0.477 632 K N 1.801 122.151 120.400 -0.083 0.000 2.518 632 K HA -0.036 4.284 4.320 -0.000 0.000 0.276 632 K C -0.356 176.138 176.600 -0.177 0.000 0.974 632 K CA -0.137 56.098 56.287 -0.088 0.000 0.986 632 K CB 0.341 32.816 32.500 -0.042 0.000 0.901 632 K HN 0.615 nan 8.250 nan 0.000 0.497 633 D N 0.909 121.211 120.400 -0.163 0.000 2.383 633 D HA -0.165 4.474 4.640 -0.000 0.000 0.233 633 D C 0.890 177.094 176.300 -0.162 0.000 1.233 633 D CA 0.312 54.169 54.000 -0.238 0.000 0.881 633 D CB 0.105 40.877 40.800 -0.045 0.000 1.212 633 D HN 0.487 nan 8.370 nan 0.000 0.467 634 W N 0.221 121.546 121.300 0.043 0.000 2.402 634 W HA 0.089 4.748 4.660 -0.000 0.000 0.286 634 W C 2.471 179.003 176.519 0.023 0.000 1.221 634 W CA 0.789 58.156 57.345 0.036 0.000 1.257 634 W CB -0.945 28.537 29.460 0.037 0.000 1.120 634 W HN 0.560 nan 8.180 nan 0.000 0.551 635 A N 0.981 123.946 122.820 0.242 0.000 1.877 635 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 635 A C 1.465 179.104 177.584 0.091 0.000 1.186 635 A CA 2.150 54.273 52.037 0.143 0.000 0.620 635 A CB -0.979 18.090 19.000 0.116 0.000 0.822 635 A HN 0.257 nan 8.150 nan 0.000 0.443 636 D N -0.959 119.482 120.400 0.068 0.000 2.312 636 D HA 0.018 4.658 4.640 -0.000 0.000 0.211 636 D C 0.612 176.934 176.300 0.036 0.000 0.964 636 D CA 0.490 54.514 54.000 0.040 0.000 0.877 636 D CB 0.051 40.864 40.800 0.022 0.000 0.924 636 D HN 0.329 nan 8.370 nan 0.000 0.515 637 R N 0.832 121.362 120.500 0.051 0.000 2.233 637 R HA 0.201 4.541 4.340 -0.000 0.000 0.334 637 R C -1.749 174.593 176.300 0.069 0.000 1.037 637 R CA -1.131 54.998 56.100 0.049 0.000 0.920 637 R CB 1.353 31.677 30.300 0.040 0.000 1.137 637 R HN 0.119 nan 8.270 nan 0.000 0.492 638 P HA 0.028 nan 4.420 nan 0.000 0.212 638 P C 0.757 178.081 177.300 0.041 0.000 1.163 638 P CA 0.551 63.679 63.100 0.047 0.000 0.892 638 P CB 0.178 31.897 31.700 0.032 0.000 0.766 639 G N -0.277 108.541 108.800 0.029 0.000 2.588 639 G HA2 0.009 3.968 3.960 -0.000 0.000 0.278 639 G HA3 0.009 3.968 3.960 -0.000 0.000 0.278 639 G C 0.807 175.721 174.900 0.025 0.000 1.307 639 G CA -0.224 44.889 45.100 0.023 0.000 1.016 639 G HN 0.140 nan 8.290 nan 0.000 0.503 640 E N -0.520 119.690 120.200 0.017 0.000 2.152 640 E HA -0.111 4.238 4.350 -0.000 0.000 0.192 640 E C 2.211 178.816 176.600 0.008 0.000 0.983 640 E CA 0.730 57.139 56.400 0.014 0.000 0.818 640 E CB 0.136 29.840 29.700 0.007 0.000 0.758 640 E HN 0.495 nan 8.360 nan 0.000 0.467 641 E N 0.754 120.958 120.200 0.006 0.000 2.118 641 E HA -0.165 4.185 4.350 -0.000 0.000 0.195 641 E C 1.008 177.608 176.600 -0.001 0.000 0.992 641 E CA 0.822 57.223 56.400 0.002 0.000 0.804 641 E CB -0.497 29.206 29.700 0.004 0.000 0.741 641 E HN 0.174 nan 8.360 nan 0.000 0.458 642 N N 1.104 119.807 118.700 0.006 0.000 2.375 642 N HA 0.010 4.750 4.740 -0.000 0.000 0.220 642 N C -0.067 175.446 175.510 0.005 0.000 1.170 642 N CA 0.203 53.255 53.050 0.004 0.000 0.833 642 N CB 0.324 38.819 38.487 0.013 0.000 1.069 642 N HN 0.044 nan 8.380 nan 0.000 0.479 643 K N 0.147 120.544 120.400 -0.004 0.000 2.375 643 K HA 0.236 4.556 4.320 -0.000 0.000 0.249 643 K C 0.738 177.303 176.600 -0.059 0.000 0.942 643 K CA -0.421 55.869 56.287 0.005 0.000 0.806 643 K CB 1.850 34.379 32.500 0.049 0.000 1.227 643 K HN -0.230 nan 8.250 nan 0.000 0.430 644 V N 2.450 122.309 119.914 -0.091 0.000 2.363 644 V HA -0.265 3.855 4.120 -0.000 0.000 0.254 644 V C 2.319 178.288 176.094 -0.209 0.000 1.074 644 V CA 2.020 64.175 62.300 -0.243 0.000 1.069 644 V CB -0.523 31.183 31.823 -0.196 0.000 0.659 644 V HN 0.794 nan 8.190 nan 0.000 0.455 645 E N 0.238 120.385 120.200 -0.090 0.000 2.058 645 E HA -0.229 4.121 4.350 -0.000 0.000 0.194 645 E C 2.344 178.906 176.600 -0.063 0.000 0.997 645 E CA 1.787 58.153 56.400 -0.057 0.000 0.801 645 E CB -0.285 29.405 29.700 -0.016 0.000 0.746 645 E HN 0.591 nan 8.360 nan 0.000 0.450 646 A N 0.553 123.340 122.820 -0.055 0.000 2.014 646 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 646 A C 2.266 179.819 177.584 -0.051 0.000 1.163 646 A CA 0.742 52.756 52.037 -0.039 0.000 0.652 646 A CB -0.399 18.588 19.000 -0.020 0.000 0.808 646 A HN 0.217 nan 8.150 nan 0.000 0.449 647 I N 0.172 120.675 120.570 -0.112 0.000 2.286 647 I HA -0.171 3.999 4.170 -0.000 0.000 0.245 647 I C 2.637 178.678 176.117 -0.127 0.000 1.104 647 I CA 1.728 62.956 61.300 -0.119 0.000 1.397 647 I CB -0.507 37.344 38.000 -0.248 0.000 1.072 647 I HN 0.478 nan 8.210 nan 0.000 0.417 648 T N -1.728 112.678 114.554 -0.247 0.000 3.085 648 T HA -0.017 4.333 4.350 -0.000 0.000 0.263 648 T C 1.833 176.514 174.700 -0.031 0.000 1.127 648 T CA 0.439 62.460 62.100 -0.131 0.000 1.103 648 T CB 0.006 68.783 68.868 -0.151 0.000 0.921 648 T HN 0.092 nan 8.240 nan 0.000 0.510 649 M N 2.214 121.791 119.600 -0.039 0.000 2.098 649 M HA 0.049 4.529 4.480 -0.000 0.000 0.262 649 M C 2.571 178.850 176.300 -0.035 0.000 1.072 649 M CA 1.594 56.883 55.300 -0.018 0.000 1.133 649 M CB -0.469 32.123 32.600 -0.013 0.000 1.344 649 M HN 0.458 nan 8.290 nan 0.000 0.414 650 R N -0.501 119.985 120.500 -0.023 0.000 2.299 650 R HA 0.265 4.605 4.340 -0.000 0.000 0.197 650 R C 1.791 177.957 176.300 -0.225 0.000 0.971 650 R CA 0.813 56.896 56.100 -0.028 0.000 1.030 650 R CB -0.472 29.884 30.300 0.093 0.000 0.932 650 R HN 0.200 nan 8.270 nan 0.000 0.477 651 A N 1.774 124.421 122.820 -0.288 0.000 1.874 651 A HA -0.104 4.216 4.320 -0.000 0.000 0.214 651 A C 2.281 179.320 177.584 -0.908 0.000 1.189 651 A CA 1.492 53.053 52.037 -0.793 0.000 0.615 651 A CB -0.920 18.012 19.000 -0.113 0.000 0.830 651 A HN 0.479 nan 8.150 nan 0.000 0.443 652 T N -1.675 112.708 114.554 -0.285 0.000 2.881 652 T HA -0.178 4.172 4.350 -0.000 0.000 0.270 652 T C 1.937 176.559 174.700 -0.131 0.000 1.068 652 T CA 1.392 63.451 62.100 -0.069 0.000 1.131 652 T CB -0.326 68.608 68.868 0.109 0.000 0.871 652 T HN 0.499 nan 8.240 nan 0.000 0.479 653 R N 1.321 121.706 120.500 -0.192 0.000 2.075 653 R HA 0.120 4.460 4.340 -0.000 0.000 0.232 653 R C 2.704 178.888 176.300 -0.194 0.000 1.126 653 R CA 1.251 57.269 56.100 -0.137 0.000 0.963 653 R CB -0.653 29.591 30.300 -0.094 0.000 0.858 653 R HN 0.462 nan 8.270 nan 0.000 0.435 654 A N 0.089 122.661 122.820 -0.414 0.000 1.968 654 A HA -0.068 4.252 4.320 -0.000 0.000 0.217 654 A C 1.637 179.091 177.584 -0.217 0.000 1.169 654 A CA 0.844 52.648 52.037 -0.390 0.000 0.638 654 A CB -0.353 18.210 19.000 -0.728 0.000 0.812 654 A HN 0.349 nan 8.150 nan 0.000 0.446 655 F N 0.770 120.594 119.950 -0.210 0.000 2.512 655 F HA 0.016 4.543 4.527 -0.000 0.000 0.296 655 F C 2.539 178.256 175.800 -0.138 0.000 1.110 655 F CA 0.654 58.547 58.000 -0.178 0.000 1.446 655 F CB -0.699 38.187 39.000 -0.190 0.000 1.092 655 F HN 0.308 nan 8.300 nan 0.000 0.554 656 S N -1.571 114.151 115.700 0.036 0.000 2.558 656 S HA 0.023 4.492 4.470 -0.000 0.000 0.217 656 S C 1.613 176.212 174.600 -0.002 0.000 0.975 656 S CA 0.110 58.312 58.200 0.003 0.000 0.912 656 S CB 0.037 63.244 63.200 0.012 0.000 0.776 656 S HN 0.277 nan 8.310 nan 0.000 0.526 657 Q N 1.342 121.139 119.800 -0.004 0.000 2.389 657 Q HA 0.335 4.674 4.340 -0.000 0.000 0.201 657 Q C 1.760 177.764 176.000 0.006 0.000 0.956 657 Q CA 1.013 56.815 55.803 -0.003 0.000 0.871 657 Q CB 0.059 28.791 28.738 -0.009 0.000 0.990 657 Q HN 0.795 nan 8.270 nan 0.000 0.554 658 I N -1.808 118.772 120.570 0.017 0.000 3.805 658 I HA 0.419 4.588 4.170 -0.000 0.000 0.337 658 I C -0.252 175.873 176.117 0.013 0.000 1.539 658 I CA -0.149 61.163 61.300 0.019 0.000 1.176 658 I CB 0.266 38.285 38.000 0.033 0.000 1.248 658 I HN -0.164 nan 8.210 nan 0.000 0.437 659 K N 1.342 121.744 120.400 0.002 0.000 2.372 659 K HA 0.453 4.772 4.320 -0.000 0.000 0.251 659 K C -0.797 175.783 176.600 -0.033 0.000 1.055 659 K CA -0.362 55.910 56.287 -0.024 0.000 0.879 659 K CB 1.626 34.103 32.500 -0.039 0.000 1.384 659 K HN 0.313 nan 8.250 nan 0.000 0.465 660 D N -1.148 119.223 120.400 -0.048 0.000 2.712 660 D HA 0.316 4.956 4.640 -0.000 0.000 0.300 660 D C -0.212 176.056 176.300 -0.054 0.000 1.521 660 D CA -0.486 53.488 54.000 -0.044 0.000 0.790 660 D CB 1.020 41.800 40.800 -0.034 0.000 1.155 660 D HN 0.387 nan 8.370 nan 0.000 0.456 661 A N 0.308 123.082 122.820 -0.077 0.000 3.044 661 A HA 0.861 5.181 4.320 -0.000 0.000 0.200 661 A C -0.610 176.905 177.584 -0.115 0.000 1.557 661 A CA -0.443 51.544 52.037 -0.084 0.000 1.647 661 A CB 0.758 19.703 19.000 -0.092 0.000 1.580 661 A HN 0.131 nan 8.150 nan 0.000 0.503 662 M N 0.517 120.017 119.600 -0.166 0.000 2.400 662 M HA 0.376 4.856 4.480 -0.000 0.000 0.192 662 M C -1.850 174.216 176.300 -0.389 0.000 0.977 662 M CA 0.270 55.399 55.300 -0.285 0.000 0.965 662 M CB 2.004 34.492 32.600 -0.186 0.000 2.816 662 M HN 0.290 nan 8.290 nan 0.000 0.413 663 V N 2.886 122.522 119.914 -0.464 0.000 2.769 663 V HA 0.676 4.796 4.120 -0.000 0.000 0.312 663 V C -0.559 175.284 176.094 -0.419 0.000 1.061 663 V CA -0.442 61.638 62.300 -0.366 0.000 0.931 663 V CB 2.003 33.621 31.823 -0.341 0.000 1.010 663 V HN 0.709 nan 8.190 nan 0.000 0.433 664 F N 0.689 120.768 119.950 0.215 0.000 2.041 664 F HA 0.904 5.431 4.527 -0.000 0.000 0.209 664 F C 0.596 176.620 175.800 0.374 0.000 1.271 664 F CA 0.352 58.525 58.000 0.288 0.000 1.276 664 F CB -0.158 39.016 39.000 0.291 0.000 1.887 664 F HN 0.813 nan 8.300 nan 0.000 0.164 665 A N 0.031 123.232 122.820 0.635 0.000 2.419 665 A HA 0.414 4.734 4.320 -0.000 0.000 0.680 665 A C -1.658 176.199 177.584 0.455 0.000 0.145 665 A CA -0.502 51.787 52.037 0.420 0.000 0.066 665 A CB -1.532 17.757 19.000 0.482 0.000 3.935 665 A HN 1.187 nan 8.150 nan 0.000 0.544 666 F N -0.255 119.915 119.950 0.366 0.000 2.680 666 F HA 0.613 5.139 4.527 -0.000 0.000 0.315 666 F C -0.462 175.500 175.800 0.270 0.000 1.099 666 F CA -0.473 57.666 58.000 0.232 0.000 1.033 666 F CB 0.228 39.326 39.000 0.164 0.000 1.285 666 F HN 1.137 nan 8.300 nan 0.000 0.457 667 N N 2.480 121.363 118.700 0.305 0.000 2.294 667 N HA 0.476 5.216 4.740 -0.000 0.000 0.248 667 N C -1.103 174.594 175.510 0.311 0.000 1.300 667 N CA -0.897 52.294 53.050 0.235 0.000 0.925 667 N CB 0.847 39.396 38.487 0.103 0.000 1.188 667 N HN 0.751 nan 8.380 nan 0.000 0.512 668 L N 0.047 121.392 121.223 0.203 0.000 2.262 668 L HA 0.382 4.722 4.340 -0.000 0.000 0.288 668 L C -2.186 174.739 176.870 0.090 0.000 1.035 668 L CA -1.983 52.961 54.840 0.173 0.000 0.820 668 L CB 1.080 43.200 42.059 0.102 0.000 1.204 668 L HN 0.489 nan 8.230 nan 0.000 0.424 669 P HA -0.043 nan 4.420 nan 0.000 0.256 669 P C 0.521 177.812 177.300 -0.015 0.000 1.189 669 P CA 0.246 63.361 63.100 0.025 0.000 0.808 669 P CB 0.901 32.606 31.700 0.008 0.000 0.793 670 A N 6.135 128.928 122.820 -0.047 0.000 1.837 670 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 670 A C 1.485 178.915 177.584 -0.256 0.000 1.210 670 A CA 1.613 53.578 52.037 -0.121 0.000 0.632 670 A CB -1.352 17.587 19.000 -0.102 0.000 0.843 670 A HN 0.586 nan 8.150 nan 0.000 0.448 671 I N -3.056 117.316 120.570 -0.330 0.000 4.908 671 I HA -0.430 3.740 4.170 -0.000 0.000 0.038 671 I C 1.467 177.520 176.117 -0.107 0.000 0.635 671 I CA 2.021 63.230 61.300 -0.152 0.000 0.238 671 I CB -1.397 36.606 38.000 0.004 0.000 0.335 671 I HN 0.310 nan 8.210 nan 0.000 0.157 672 V N -1.340 118.551 119.914 -0.037 0.000 5.048 672 V HA 0.152 4.272 4.120 -0.000 0.000 0.133 672 V C 0.619 176.688 176.094 -0.041 0.000 1.124 672 V CA 0.873 63.154 62.300 -0.031 0.000 1.228 672 V CB 0.463 32.280 31.823 -0.011 0.000 1.711 672 V HN 0.761 nan 8.190 nan 0.000 0.586 673 E N 0.133 120.308 120.200 -0.042 0.000 2.794 673 E HA 0.355 4.705 4.350 -0.000 0.000 0.203 673 E C -0.445 176.124 176.600 -0.052 0.000 0.953 673 E CA 0.039 56.400 56.400 -0.066 0.000 1.284 673 E CB 0.566 30.213 29.700 -0.088 0.000 1.077 673 E HN 0.608 nan 8.360 nan 0.000 0.508 674 L N -4.055 117.146 121.223 -0.036 0.000 2.322 674 L HA 0.961 5.301 4.340 -0.000 0.000 0.252 674 L C 0.532 177.367 176.870 -0.057 0.000 1.055 674 L CA -0.598 54.218 54.840 -0.040 0.000 0.849 674 L CB 1.571 43.611 42.059 -0.031 0.000 1.446 674 L HN 0.030 nan 8.230 nan 0.000 0.416 675 G N 0.172 108.923 108.800 -0.081 0.000 2.324 675 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.292 675 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.292 675 G C 0.540 175.427 174.900 -0.021 0.000 1.079 675 G CA 0.600 45.623 45.100 -0.127 0.000 1.026 675 G HN 1.251 nan 8.290 nan 0.000 0.506 676 T N -2.222 112.325 114.554 -0.013 0.000 2.915 676 T HA 0.410 4.760 4.350 -0.000 0.000 0.269 676 T C 1.520 176.230 174.700 0.016 0.000 1.071 676 T CA 1.502 63.606 62.100 0.007 0.000 1.132 676 T CB -0.116 68.742 68.868 -0.017 0.000 0.878 676 T HN 2.491 nan 8.240 nan 0.000 0.479 677 A N 1.242 124.060 122.820 -0.004 0.000 2.434 677 A HA 0.268 4.588 4.320 -0.000 0.000 0.686 677 A C 0.883 178.462 177.584 -0.007 0.000 0.139 677 A CA 0.738 52.769 52.037 -0.009 0.000 0.029 677 A CB -2.352 16.662 19.000 0.022 0.000 3.971 677 A HN 2.304 nan 8.150 nan 0.000 0.548 678 T N -1.263 113.280 114.554 -0.018 0.000 3.970 678 T HA 0.273 4.623 4.350 -0.000 0.000 0.361 678 T C 1.288 176.010 174.700 0.036 0.000 0.758 678 T CA 2.006 64.106 62.100 0.001 0.000 1.940 678 T CB -2.213 66.653 68.868 -0.003 0.000 1.821 678 T HN 2.971 nan 8.240 nan 0.000 0.818 679 G N 0.631 109.459 108.800 0.047 0.000 2.638 679 G HA2 0.744 4.704 3.960 -0.000 0.000 0.302 679 G HA3 0.744 4.704 3.960 -0.000 0.000 0.302 679 G C -1.001 174.001 174.900 0.171 0.000 1.365 679 G CA -0.792 44.346 45.100 0.063 0.000 0.987 679 G HN 1.327 nan 8.290 nan 0.000 0.495 680 F N 0.891 120.844 119.950 0.004 0.000 2.601 680 F HA 0.797 5.324 4.527 -0.000 0.000 0.309 680 F C -1.991 173.892 175.800 0.139 0.000 1.089 680 F CA -1.338 56.710 58.000 0.079 0.000 0.940 680 F CB 3.027 42.096 39.000 0.115 0.000 1.273 680 F HN 0.387 nan 8.300 nan 0.000 0.450 681 D N 4.293 125.001 120.400 0.513 0.000 2.527 681 D HA 0.185 4.825 4.640 -0.000 0.000 0.242 681 D C -1.433 175.192 176.300 0.542 0.000 1.285 681 D CA -0.113 54.077 54.000 0.317 0.000 0.886 681 D CB 0.367 41.255 40.800 0.146 0.000 1.402 681 D HN 0.429 nan 8.370 nan 0.000 0.528 682 F N 1.763 121.910 119.950 0.328 0.000 2.480 682 F HA 0.457 4.984 4.527 -0.000 0.000 0.319 682 F C 0.403 176.066 175.800 -0.227 0.000 1.230 682 F CA -0.038 57.852 58.000 -0.184 0.000 1.285 682 F CB 0.886 39.796 39.000 -0.149 0.000 1.208 682 F HN 0.254 nan 8.300 nan 0.000 0.579 683 E N 2.952 122.605 120.200 -0.912 0.000 2.334 683 E HA 0.283 4.633 4.350 -0.000 0.000 0.280 683 E C -2.074 174.083 176.600 -0.738 0.000 0.899 683 E CA -0.790 55.214 56.400 -0.661 0.000 0.813 683 E CB 0.875 30.168 29.700 -0.679 0.000 1.318 683 E HN 0.490 nan 8.360 nan 0.000 0.399 684 L N 6.109 127.089 121.223 -0.405 0.000 2.361 684 L HA 0.461 4.801 4.340 -0.000 0.000 0.278 684 L C -1.144 175.613 176.870 -0.188 0.000 1.113 684 L CA 0.293 54.989 54.840 -0.241 0.000 0.849 684 L CB 0.194 42.217 42.059 -0.060 0.000 1.155 684 L HN 0.644 nan 8.230 nan 0.000 0.452 685 I N 4.025 124.499 120.570 -0.161 0.000 2.525 685 I HA 0.228 4.397 4.170 -0.000 0.000 0.301 685 I C -0.565 175.526 176.117 -0.043 0.000 0.992 685 I CA -0.673 60.570 61.300 -0.095 0.000 1.162 685 I CB 1.926 39.868 38.000 -0.097 0.000 1.332 685 I HN 0.590 nan 8.210 nan 0.000 0.458 686 D N 4.328 124.716 120.400 -0.021 0.000 2.467 686 D HA 0.165 4.805 4.640 -0.000 0.000 0.220 686 D C 0.457 176.754 176.300 -0.004 0.000 1.103 686 D CA -0.131 53.866 54.000 -0.005 0.000 0.886 686 D CB 1.200 42.003 40.800 0.006 0.000 1.025 686 D HN 0.355 nan 8.370 nan 0.000 0.514 687 Q N 2.350 122.145 119.800 -0.009 0.000 2.212 687 Q HA 0.240 4.580 4.340 -0.000 0.000 0.199 687 Q C 0.653 176.651 176.000 -0.005 0.000 0.950 687 Q CA 0.630 56.426 55.803 -0.012 0.000 0.863 687 Q CB 0.274 28.998 28.738 -0.023 0.000 0.944 687 Q HN 0.609 nan 8.270 nan 0.000 0.465 688 A N -1.088 121.733 122.820 0.001 0.000 2.301 688 A HA 0.565 4.885 4.320 -0.000 0.000 0.287 688 A C 0.993 178.582 177.584 0.008 0.000 1.274 688 A CA 0.004 52.043 52.037 0.004 0.000 0.865 688 A CB -0.168 18.835 19.000 0.007 0.000 1.324 688 A HN 0.348 nan 8.150 nan 0.000 0.508 689 G N -0.713 108.093 108.800 0.009 0.000 3.383 689 G HA2 0.424 4.383 3.960 -0.000 0.000 0.251 689 G HA3 0.424 4.383 3.960 -0.000 0.000 0.251 689 G C 0.355 175.265 174.900 0.017 0.000 1.203 689 G CA 0.091 45.199 45.100 0.012 0.000 0.852 689 G HN 0.640 nan 8.290 nan 0.000 0.531 690 L N -1.323 119.912 121.223 0.020 0.000 2.476 690 L HA 0.807 5.147 4.340 -0.000 0.000 0.255 690 L C 0.935 177.827 176.870 0.036 0.000 1.218 690 L CA -0.583 54.273 54.840 0.026 0.000 0.819 690 L CB 0.026 42.101 42.059 0.026 0.000 1.119 690 L HN -0.034 nan 8.230 nan 0.000 0.485 691 G N -2.306 106.522 108.800 0.046 0.000 2.642 691 G HA2 0.230 4.190 3.960 -0.000 0.000 0.291 691 G HA3 0.230 4.190 3.960 -0.000 0.000 0.291 691 G C 0.272 175.244 174.900 0.120 0.000 1.345 691 G CA -0.197 44.946 45.100 0.071 0.000 1.043 691 G HN 0.864 nan 8.290 nan 0.000 0.528 692 H N -0.333 118.746 119.070 0.015 0.000 2.421 692 H HA -0.076 4.480 4.556 -0.000 0.000 0.298 692 H C 2.229 177.566 175.328 0.014 0.000 1.087 692 H CA 2.242 58.300 56.048 0.017 0.000 1.330 692 H CB 0.016 29.792 29.762 0.022 0.000 1.388 692 H HN 0.704 nan 8.280 nan 0.000 0.526 693 E N 0.460 120.666 120.200 0.011 0.000 2.072 693 E HA -0.142 4.208 4.350 -0.000 0.000 0.191 693 E C 1.950 178.554 176.600 0.006 0.000 0.985 693 E CA 1.109 57.466 56.400 -0.072 0.000 0.801 693 E CB -0.061 29.602 29.700 -0.062 0.000 0.750 693 E HN 0.439 nan 8.360 nan 0.000 0.452 694 K N 0.534 120.955 120.400 0.036 0.000 2.366 694 K HA 0.057 4.377 4.320 -0.000 0.000 0.198 694 K C 2.052 178.683 176.600 0.052 0.000 1.044 694 K CA 0.225 56.533 56.287 0.035 0.000 0.973 694 K CB 0.157 32.675 32.500 0.030 0.000 0.767 694 K HN 0.088 nan 8.250 nan 0.000 0.475 695 L N 0.478 121.754 121.223 0.089 0.000 2.095 695 L HA -0.136 4.204 4.340 -0.000 0.000 0.204 695 L C 1.994 178.918 176.870 0.090 0.000 1.080 695 L CA 1.166 56.058 54.840 0.087 0.000 0.759 695 L CB -0.282 41.835 42.059 0.095 0.000 0.914 695 L HN 0.168 nan 8.230 nan 0.000 0.439 696 T N -0.678 113.958 114.554 0.137 0.000 2.685 696 T HA -0.275 4.075 4.350 -0.000 0.000 0.268 696 T C 1.834 176.560 174.700 0.044 0.000 1.034 696 T CA 1.397 63.557 62.100 0.100 0.000 1.149 696 T CB -0.122 68.791 68.868 0.074 0.000 0.860 696 T HN 0.299 nan 8.240 nan 0.000 0.449 697 Q N 0.083 119.900 119.800 0.029 0.000 2.123 697 Q HA 0.114 4.454 4.340 -0.000 0.000 0.199 697 Q C 2.699 178.711 176.000 0.020 0.000 0.966 697 Q CA 1.286 57.098 55.803 0.015 0.000 0.845 697 Q CB -0.479 28.264 28.738 0.008 0.000 0.907 697 Q HN 0.582 nan 8.270 nan 0.000 0.439 698 A N 1.626 124.463 122.820 0.029 0.000 1.930 698 A HA -0.181 4.138 4.320 -0.000 0.000 0.217 698 A C 2.110 179.714 177.584 0.034 0.000 1.175 698 A CA 1.529 53.584 52.037 0.031 0.000 0.627 698 A CB -0.482 18.539 19.000 0.036 0.000 0.815 698 A HN 0.313 nan 8.150 nan 0.000 0.443 699 R N -0.158 120.364 120.500 0.036 0.000 2.115 699 R HA -0.084 4.256 4.340 -0.000 0.000 0.226 699 R C 1.481 177.795 176.300 0.024 0.000 1.100 699 R CA 1.777 57.899 56.100 0.036 0.000 0.980 699 R CB -0.619 29.702 30.300 0.035 0.000 0.875 699 R HN 0.487 nan 8.270 nan 0.000 0.445 700 N N 0.686 119.397 118.700 0.018 0.000 2.244 700 N HA -0.174 4.565 4.740 -0.000 0.000 0.183 700 N C 1.796 177.308 175.510 0.004 0.000 1.016 700 N CA 1.236 54.290 53.050 0.007 0.000 0.866 700 N CB 0.043 38.531 38.487 0.002 0.000 0.980 700 N HN 0.379 nan 8.380 nan 0.000 0.430 701 Q N 0.030 119.835 119.800 0.009 0.000 2.245 701 Q HA 0.009 4.349 4.340 -0.000 0.000 0.201 701 Q C 1.912 177.913 176.000 0.002 0.000 0.955 701 Q CA 0.639 56.447 55.803 0.008 0.000 0.870 701 Q CB 0.133 28.879 28.738 0.014 0.000 0.945 701 Q HN 0.508 nan 8.270 nan 0.000 0.461 702 L N -1.088 120.136 121.223 0.002 0.000 2.307 702 L HA 0.072 4.412 4.340 -0.000 0.000 0.211 702 L C 1.511 178.360 176.870 -0.035 0.000 1.099 702 L CA 0.644 55.473 54.840 -0.018 0.000 0.816 702 L CB 0.044 42.101 42.059 -0.003 0.000 0.952 702 L HN 0.204 nan 8.230 nan 0.000 0.455 703 L N 0.383 121.596 121.223 -0.018 0.000 2.291 703 L HA 0.007 4.347 4.340 -0.000 0.000 0.214 703 L C 2.750 179.598 176.870 -0.037 0.000 1.120 703 L CA 0.883 55.709 54.840 -0.024 0.000 0.799 703 L CB -0.573 41.479 42.059 -0.010 0.000 0.925 703 L HN 0.381 nan 8.230 nan 0.000 0.446 704 A N -0.720 122.082 122.820 -0.029 0.000 1.943 704 A HA -0.056 4.264 4.320 -0.000 0.000 0.213 704 A C 2.195 179.755 177.584 -0.040 0.000 1.181 704 A CA 0.625 52.646 52.037 -0.027 0.000 0.653 704 A CB -0.095 18.899 19.000 -0.009 0.000 0.833 704 A HN 0.224 nan 8.150 nan 0.000 0.451 705 E N 0.353 120.532 120.200 -0.036 0.000 2.106 705 E HA -0.085 4.265 4.350 -0.000 0.000 0.192 705 E C 2.288 178.724 176.600 -0.274 0.000 0.984 705 E CA 1.120 57.504 56.400 -0.026 0.000 0.806 705 E CB -0.516 29.223 29.700 0.065 0.000 0.750 705 E HN 0.542 nan 8.360 nan 0.000 0.458 706 A N 1.501 124.176 122.820 -0.241 0.000 1.902 706 A HA -0.089 4.230 4.320 -0.000 0.000 0.217 706 A C 2.337 179.757 177.584 -0.273 0.000 1.181 706 A CA 1.995 53.850 52.037 -0.303 0.000 0.623 706 A CB -0.423 18.488 19.000 -0.148 0.000 0.818 706 A HN 0.251 nan 8.150 nan 0.000 0.443 707 A N -0.184 122.540 122.820 -0.161 0.000 2.169 707 A HA 0.083 4.403 4.320 -0.000 0.000 0.212 707 A C 1.775 179.306 177.584 -0.088 0.000 1.153 707 A CA 1.501 53.477 52.037 -0.102 0.000 0.756 707 A CB -0.263 18.703 19.000 -0.057 0.000 0.813 707 A HN 0.646 nan 8.150 nan 0.000 0.471 708 K N -0.125 120.214 120.400 -0.102 0.000 2.358 708 K HA 0.079 4.399 4.320 -0.000 0.000 0.200 708 K C 0.370 177.007 176.600 0.061 0.000 1.030 708 K CA 0.449 56.729 56.287 -0.012 0.000 1.097 708 K CB -0.015 32.504 32.500 0.032 0.000 0.862 708 K HN 0.577 nan 8.250 nan 0.000 0.534 709 H N -0.548 118.511 119.070 -0.017 0.000 2.946 709 H HA 0.362 4.917 4.556 -0.000 0.000 0.217 709 H C -3.127 172.189 175.328 -0.020 0.000 1.393 709 H CA -1.589 54.448 56.048 -0.019 0.000 1.306 709 H CB 0.695 30.444 29.762 -0.023 0.000 2.062 709 H HN 0.032 nan 8.280 nan 0.000 0.520 710 P HA 0.280 nan 4.420 nan 0.000 0.301 710 P C -0.595 176.702 177.300 -0.006 0.000 1.399 710 P CA -0.159 62.913 63.100 -0.046 0.000 0.950 710 P CB 1.746 33.399 31.700 -0.078 0.000 0.972 711 D N 3.244 123.650 120.400 0.009 0.000 4.248 711 D HA -0.112 4.527 4.640 -0.000 0.000 0.248 711 D C -0.717 175.598 176.300 0.025 0.000 1.056 711 D CA 0.451 54.468 54.000 0.027 0.000 1.191 711 D CB -0.498 40.340 40.800 0.064 0.000 0.870 711 D HN 0.135 nan 8.370 nan 0.000 0.410 712 M N 4.540 124.144 119.600 0.007 0.000 2.201 712 M HA 0.277 4.757 4.480 -0.000 0.000 0.345 712 M C 0.845 177.141 176.300 -0.006 0.000 1.352 712 M CA -0.496 54.803 55.300 -0.001 0.000 1.218 712 M CB -0.154 32.442 32.600 -0.006 0.000 1.512 712 M HN 0.338 nan 8.290 nan 0.000 0.447 713 L N 2.576 123.795 121.223 -0.006 0.000 2.404 713 L HA -0.206 4.134 4.340 -0.000 0.000 0.293 713 L C 0.779 177.645 176.870 -0.008 0.000 1.452 713 L CA 1.245 56.078 54.840 -0.012 0.000 0.833 713 L CB -0.942 41.111 42.059 -0.009 0.000 0.939 713 L HN 0.877 nan 8.230 nan 0.000 0.798 714 T N -3.631 110.922 114.554 -0.000 0.000 3.094 714 T HA 0.437 4.787 4.350 -0.000 0.000 0.373 714 T C -0.942 173.768 174.700 0.016 0.000 1.806 714 T CA -0.424 61.697 62.100 0.033 0.000 1.107 714 T CB 1.003 69.895 68.868 0.039 0.000 1.632 714 T HN 0.851 nan 8.240 nan 0.000 0.488 715 S N 0.589 116.302 115.700 0.021 0.000 2.667 715 S HA 0.679 5.149 4.470 -0.000 0.000 0.304 715 S C -0.324 174.238 174.600 -0.063 0.000 1.135 715 S CA -0.680 57.506 58.200 -0.024 0.000 1.125 715 S CB 0.388 63.566 63.200 -0.037 0.000 0.996 715 S HN 1.588 nan 8.310 nan 0.000 0.474 716 V N 1.720 121.602 119.914 -0.053 0.000 2.443 716 V HA 0.805 4.925 4.120 -0.000 0.000 0.293 716 V C -0.628 175.429 176.094 -0.062 0.000 1.021 716 V CA -0.829 61.425 62.300 -0.077 0.000 0.848 716 V CB 1.229 33.046 31.823 -0.010 0.000 0.998 716 V HN 0.817 nan 8.190 nan 0.000 0.424 717 R N 4.096 124.547 120.500 -0.082 0.000 2.725 717 R HA 0.649 4.989 4.340 -0.000 0.000 0.277 717 R C -2.985 173.288 176.300 -0.046 0.000 0.987 717 R CA -1.867 54.205 56.100 -0.047 0.000 0.901 717 R CB 2.905 33.185 30.300 -0.033 0.000 1.207 717 R HN 0.535 nan 8.270 nan 0.000 0.463 718 P HA 0.033 nan 4.420 nan 0.000 0.271 718 P C 0.181 177.475 177.300 -0.011 0.000 1.244 718 P CA -0.187 62.907 63.100 -0.010 0.000 0.793 718 P CB 0.856 32.560 31.700 0.007 0.000 0.984 719 N N 0.180 118.876 118.700 -0.008 0.000 2.207 719 N HA -0.017 4.723 4.740 -0.000 0.000 0.182 719 N C 0.785 176.310 175.510 0.025 0.000 1.020 719 N CA 1.739 54.788 53.050 -0.002 0.000 0.858 719 N CB -0.193 38.292 38.487 -0.004 0.000 0.991 719 N HN 0.701 nan 8.380 nan 0.000 0.427 720 G N -0.553 108.265 108.800 0.031 0.000 3.583 720 G HA2 0.063 4.023 3.960 -0.000 0.000 0.233 720 G HA3 0.063 4.023 3.960 -0.000 0.000 0.233 720 G C -0.033 174.897 174.900 0.050 0.000 3.737 720 G CA -0.353 44.776 45.100 0.048 0.000 0.625 720 G HN 0.151 nan 8.290 nan 0.000 0.309 721 L N 0.315 121.565 121.223 0.046 0.000 2.591 721 L HA 0.261 4.601 4.340 -0.000 0.000 0.228 721 L C 2.179 179.093 176.870 0.073 0.000 1.133 721 L CA 0.496 55.371 54.840 0.060 0.000 0.880 721 L CB -0.179 41.917 42.059 0.060 0.000 1.033 721 L HN 0.443 nan 8.230 nan 0.000 0.450 722 E N 0.430 120.666 120.200 0.061 0.000 2.853 722 E HA -0.420 3.930 4.350 -0.000 0.000 0.230 722 E C 0.203 176.837 176.600 0.056 0.000 0.973 722 E CA 2.308 58.742 56.400 0.056 0.000 1.658 722 E CB -0.343 29.394 29.700 0.062 0.000 1.570 722 E HN 0.517 nan 8.360 nan 0.000 0.441 723 D N -0.703 119.748 120.400 0.085 0.000 3.862 723 D HA -0.085 4.555 4.640 -0.000 0.000 0.224 723 D C -0.961 175.425 176.300 0.143 0.000 1.152 723 D CA 1.154 55.213 54.000 0.097 0.000 0.894 723 D CB -0.778 40.040 40.800 0.030 0.000 0.624 723 D HN 0.318 nan 8.370 nan 0.000 0.287 724 T N 0.838 115.514 114.554 0.203 0.000 2.930 724 T HA 0.916 5.266 4.350 -0.000 0.000 0.290 724 T C -2.821 172.053 174.700 0.291 0.000 1.052 724 T CA -1.776 60.473 62.100 0.248 0.000 1.017 724 T CB 2.489 71.455 68.868 0.163 0.000 1.137 724 T HN 0.022 nan 8.240 nan 0.000 0.511 725 P HA 0.344 nan 4.420 nan 0.000 0.274 725 P C -1.096 176.361 177.300 0.262 0.000 1.231 725 P CA -0.455 62.736 63.100 0.153 0.000 0.790 725 P CB 0.304 32.036 31.700 0.052 0.000 0.951 726 Q N 0.853 120.790 119.800 0.229 0.000 2.323 726 Q HA 0.407 4.747 4.340 -0.000 0.000 0.271 726 Q C -1.309 174.696 176.000 0.007 0.000 1.048 726 Q CA -0.627 55.258 55.803 0.136 0.000 0.792 726 Q CB 1.825 30.605 28.738 0.070 0.000 1.280 726 Q HN 0.317 nan 8.270 nan 0.000 0.441 727 F N 3.066 122.817 119.950 -0.332 0.000 2.509 727 F HA 0.204 4.731 4.527 -0.000 0.000 0.350 727 F C 0.330 175.880 175.800 -0.417 0.000 1.220 727 F CA -0.298 57.310 58.000 -0.653 0.000 1.151 727 F CB 0.225 38.713 39.000 -0.853 0.000 1.379 727 F HN 0.369 nan 8.300 nan 0.000 0.610 728 K N 5.366 125.415 120.400 -0.585 0.000 2.270 728 K HA 0.445 4.765 4.320 -0.000 0.000 0.276 728 K C -0.876 175.402 176.600 -0.537 0.000 1.023 728 K CA -0.235 55.800 56.287 -0.420 0.000 0.955 728 K CB 0.602 32.934 32.500 -0.279 0.000 0.975 728 K HN 0.640 nan 8.250 nan 0.000 0.471 729 I N 3.814 124.198 120.570 -0.310 0.000 2.448 729 I HA 0.117 4.287 4.170 -0.000 0.000 0.281 729 I C -1.100 174.947 176.117 -0.116 0.000 1.027 729 I CA -0.867 60.302 61.300 -0.219 0.000 1.111 729 I CB 1.798 39.730 38.000 -0.115 0.000 1.236 729 I HN 0.673 nan 8.210 nan 0.000 0.452 730 D N 7.309 127.645 120.400 -0.107 0.000 2.336 730 D HA 0.307 4.947 4.640 -0.000 0.000 0.249 730 D C 0.002 176.294 176.300 -0.013 0.000 1.213 730 D CA 0.126 54.090 54.000 -0.060 0.000 0.870 730 D CB 0.973 41.734 40.800 -0.064 0.000 1.076 730 D HN 0.304 nan 8.370 nan 0.000 0.483 731 I N 2.443 123.008 120.570 -0.008 0.000 2.281 731 I HA 0.096 4.266 4.170 -0.000 0.000 0.293 731 I C 0.279 176.384 176.117 -0.020 0.000 1.085 731 I CA -0.639 60.664 61.300 0.005 0.000 1.257 731 I CB 0.579 38.547 38.000 -0.053 0.000 1.430 731 I HN 0.236 nan 8.210 nan 0.000 0.489 732 D N 5.708 126.114 120.400 0.010 0.000 2.401 732 D HA 0.011 4.651 4.640 -0.000 0.000 0.254 732 D C 1.007 177.293 176.300 -0.023 0.000 1.192 732 D CA 0.380 54.379 54.000 -0.002 0.000 0.885 732 D CB 1.021 41.831 40.800 0.016 0.000 1.147 732 D HN 0.438 nan 8.370 nan 0.000 0.478 733 Q N 2.654 122.428 119.800 -0.042 0.000 2.331 733 Q HA -0.089 4.251 4.340 -0.000 0.000 0.203 733 Q C 1.468 177.440 176.000 -0.046 0.000 0.944 733 Q CA 0.543 56.306 55.803 -0.066 0.000 0.892 733 Q CB 0.249 28.949 28.738 -0.063 0.000 0.983 733 Q HN 0.737 nan 8.270 nan 0.000 0.482 734 E N 0.870 121.056 120.200 -0.024 0.000 2.208 734 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 734 E C 1.620 178.220 176.600 -0.001 0.000 0.988 734 E CA 0.598 56.990 56.400 -0.013 0.000 0.828 734 E CB -0.032 29.663 29.700 -0.007 0.000 0.763 734 E HN 0.088 nan 8.360 nan 0.000 0.478 735 K N 0.796 121.204 120.400 0.012 0.000 2.103 735 K HA -0.015 4.305 4.320 -0.000 0.000 0.204 735 K C 2.264 178.895 176.600 0.052 0.000 1.052 735 K CA 0.999 57.312 56.287 0.043 0.000 0.945 735 K CB -0.105 32.440 32.500 0.076 0.000 0.722 735 K HN 0.208 nan 8.250 nan 0.000 0.443 736 A N 2.570 125.388 122.820 -0.003 0.000 1.832 736 A HA -0.216 4.104 4.320 -0.000 0.000 0.214 736 A C 2.158 179.708 177.584 -0.057 0.000 1.200 736 A CA 1.592 53.578 52.037 -0.086 0.000 0.610 736 A CB -0.721 18.113 19.000 -0.277 0.000 0.842 736 A HN 0.454 nan 8.150 nan 0.000 0.444 737 Q N -0.531 119.233 119.800 -0.060 0.000 2.437 737 Q HA 0.082 4.422 4.340 -0.000 0.000 0.210 737 Q C 1.833 177.825 176.000 -0.012 0.000 0.972 737 Q CA 1.154 56.933 55.803 -0.039 0.000 0.903 737 Q CB -0.420 28.294 28.738 -0.041 0.000 0.967 737 Q HN 0.520 nan 8.270 nan 0.000 0.486 738 A N 2.271 125.091 122.820 0.000 0.000 1.873 738 A HA -0.084 4.236 4.320 -0.000 0.000 0.215 738 A C 2.180 179.777 177.584 0.022 0.000 1.186 738 A CA 1.236 53.280 52.037 0.012 0.000 0.616 738 A CB -0.596 18.415 19.000 0.018 0.000 0.823 738 A HN 0.407 nan 8.150 nan 0.000 0.442 739 L N -1.835 119.410 121.223 0.037 0.000 2.395 739 L HA 0.239 4.579 4.340 -0.000 0.000 0.218 739 L C 1.515 178.410 176.870 0.042 0.000 1.130 739 L CA 0.583 55.454 54.840 0.051 0.000 0.826 739 L CB -0.614 41.498 42.059 0.088 0.000 0.941 739 L HN 0.593 nan 8.230 nan 0.000 0.451 740 G N 0.964 109.778 108.800 0.023 0.000 2.145 740 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.176 740 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.176 740 G C 0.024 174.926 174.900 0.004 0.000 1.013 740 G CA -0.142 44.965 45.100 0.012 0.000 0.689 740 G HN 0.163 nan 8.290 nan 0.000 0.506 741 V N -1.562 118.341 119.914 -0.019 0.000 2.472 741 V HA 0.860 4.980 4.120 -0.000 0.000 0.290 741 V C 0.804 176.837 176.094 -0.102 0.000 1.037 741 V CA -0.412 61.855 62.300 -0.055 0.000 0.908 741 V CB 1.609 33.374 31.823 -0.097 0.000 0.985 741 V HN 0.556 nan 8.190 nan 0.000 0.454 742 S N 2.216 117.869 115.700 -0.078 0.000 2.565 742 S HA 0.460 4.930 4.470 -0.000 0.000 0.276 742 S C 0.933 175.458 174.600 -0.126 0.000 1.326 742 S CA -0.509 57.643 58.200 -0.080 0.000 1.045 742 S CB 0.522 63.696 63.200 -0.042 0.000 0.918 742 S HN 0.642 nan 8.310 nan 0.000 0.505 743 I N 4.185 124.681 120.570 -0.124 0.000 2.928 743 I HA -0.034 4.136 4.170 -0.000 0.000 0.266 743 I C 1.845 177.909 176.117 -0.089 0.000 1.234 743 I CA 0.413 61.626 61.300 -0.145 0.000 1.483 743 I CB -0.396 37.529 38.000 -0.124 0.000 1.097 743 I HN 0.496 nan 8.210 nan 0.000 0.455 744 N N 1.237 119.904 118.700 -0.055 0.000 2.028 744 N HA -0.193 4.547 4.740 -0.000 0.000 0.194 744 N C 1.558 177.061 175.510 -0.012 0.000 1.050 744 N CA 1.609 54.645 53.050 -0.024 0.000 0.848 744 N CB -0.451 38.028 38.487 -0.013 0.000 1.038 744 N HN 0.290 nan 8.380 nan 0.000 0.423 745 D N 0.445 120.836 120.400 -0.014 0.000 2.149 745 D HA -0.151 4.489 4.640 -0.000 0.000 0.194 745 D C 1.982 178.302 176.300 0.034 0.000 1.001 745 D CA 0.921 54.931 54.000 0.017 0.000 0.849 745 D CB -0.180 40.631 40.800 0.019 0.000 0.939 745 D HN 0.313 nan 8.370 nan 0.000 0.449 746 I N 1.180 121.727 120.570 -0.039 0.000 2.315 746 I HA -0.213 3.956 4.170 -0.000 0.000 0.248 746 I C 1.955 178.125 176.117 0.089 0.000 1.117 746 I CA 0.679 61.954 61.300 -0.042 0.000 1.404 746 I CB -0.162 37.615 38.000 -0.370 0.000 1.071 746 I HN -0.085 nan 8.210 nan 0.000 0.419 747 N N -0.106 118.610 118.700 0.027 0.000 2.331 747 N HA -0.128 4.612 4.740 -0.000 0.000 0.180 747 N C 1.838 177.385 175.510 0.062 0.000 1.019 747 N CA 1.555 54.633 53.050 0.047 0.000 0.881 747 N CB -0.281 38.216 38.487 0.016 0.000 0.972 747 N HN 0.309 nan 8.380 nan 0.000 0.435 748 T N -1.561 113.029 114.554 0.060 0.000 3.086 748 T HA 0.124 4.473 4.350 -0.000 0.000 0.250 748 T C 1.361 176.093 174.700 0.052 0.000 1.074 748 T CA 0.463 62.596 62.100 0.055 0.000 0.988 748 T CB 0.001 68.897 68.868 0.048 0.000 0.988 748 T HN -0.000 nan 8.240 nan 0.000 0.530 749 T N 1.526 116.135 114.554 0.091 0.000 2.901 749 T HA 0.188 4.537 4.350 -0.000 0.000 0.252 749 T C 1.615 176.264 174.700 -0.085 0.000 1.035 749 T CA 0.750 62.893 62.100 0.071 0.000 1.142 749 T CB -0.200 68.839 68.868 0.286 0.000 0.869 749 T HN 0.262 nan 8.240 nan 0.000 0.442 750 L N 1.228 122.472 121.223 0.035 0.000 2.179 750 L HA 0.280 4.620 4.340 -0.000 0.000 0.208 750 L C 2.336 179.201 176.870 -0.008 0.000 1.096 750 L CA 1.511 56.307 54.840 -0.073 0.000 0.779 750 L CB -0.765 41.299 42.059 0.008 0.000 0.922 750 L HN 0.279 nan 8.230 nan 0.000 0.443 751 G N -1.185 107.623 108.800 0.013 0.000 2.396 751 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.214 751 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.214 751 G C 1.490 176.415 174.900 0.041 0.000 1.166 751 G CA 0.471 45.590 45.100 0.030 0.000 0.793 751 G HN 0.520 nan 8.290 nan 0.000 0.533 752 A N 0.486 123.313 122.820 0.013 0.000 2.119 752 A HA 0.581 4.901 4.320 -0.000 0.000 0.216 752 A C 2.498 180.055 177.584 -0.045 0.000 1.152 752 A CA 1.650 53.695 52.037 0.013 0.000 0.708 752 A CB -0.246 18.762 19.000 0.013 0.000 0.805 752 A HN 0.548 nan 8.150 nan 0.000 0.460 753 A N -1.073 121.643 122.820 -0.174 0.000 1.862 753 A HA 0.113 4.432 4.320 -0.000 0.000 0.211 753 A C 1.840 179.291 177.584 -0.223 0.000 1.220 753 A CA 1.016 52.818 52.037 -0.391 0.000 0.616 753 A CB -0.726 17.542 19.000 -1.220 0.000 0.878 753 A HN 0.625 nan 8.150 nan 0.000 0.453 754 W N -0.434 120.732 121.300 -0.223 0.000 2.494 754 W HA 0.222 4.882 4.660 -0.000 0.000 0.286 754 W C 2.318 178.819 176.519 -0.030 0.000 1.218 754 W CA 1.095 58.378 57.345 -0.103 0.000 1.313 754 W CB -0.247 29.126 29.460 -0.145 0.000 1.105 754 W HN 0.379 nan 8.180 nan 0.000 0.561 755 G N -1.226 107.684 108.800 0.182 0.000 2.784 755 G HA2 0.449 4.409 3.960 -0.000 0.000 0.208 755 G HA3 0.449 4.409 3.960 -0.000 0.000 0.208 755 G C 0.532 175.506 174.900 0.125 0.000 1.120 755 G CA 0.374 45.552 45.100 0.130 0.000 0.774 755 G HN 0.424 nan 8.290 nan 0.000 0.528 756 G N -1.189 107.687 108.800 0.128 0.000 2.619 756 G HA2 0.319 4.279 3.960 -0.000 0.000 0.686 756 G HA3 0.319 4.279 3.960 -0.000 0.000 0.686 756 G C -0.607 174.421 174.900 0.214 0.000 1.256 756 G CA 0.049 45.254 45.100 0.176 0.000 0.826 756 G HN 1.130 nan 8.290 nan 0.000 0.619 757 S N -0.526 115.326 115.700 0.254 0.000 2.750 757 S HA 0.509 4.979 4.470 -0.000 0.000 0.276 757 S C -0.690 173.965 174.600 0.091 0.000 1.165 757 S CA -0.419 57.891 58.200 0.183 0.000 1.047 757 S CB 0.734 63.989 63.200 0.092 0.000 1.056 757 S HN 1.699 nan 8.310 nan 0.000 0.481 758 Y N 6.536 126.777 120.300 -0.099 0.000 2.730 758 Y HA 0.276 4.826 4.550 -0.000 0.000 0.354 758 Y C 0.822 176.581 175.900 -0.236 0.000 1.139 758 Y CA 0.389 58.217 58.100 -0.453 0.000 1.516 758 Y CB 0.034 38.285 38.460 -0.348 0.000 1.204 758 Y HN 0.470 nan 8.280 nan 0.000 0.520 759 V N 4.663 124.220 119.914 -0.596 0.000 2.283 759 V HA -0.016 4.104 4.120 -0.000 0.000 0.239 759 V C 0.374 176.147 176.094 -0.535 0.000 1.035 759 V CA 1.282 63.337 62.300 -0.408 0.000 1.018 759 V CB -0.619 31.064 31.823 -0.235 0.000 0.658 759 V HN 0.792 nan 8.190 nan 0.000 0.459 760 N N -1.473 116.865 118.700 -0.602 0.000 2.935 760 N HA 0.187 4.927 4.740 -0.000 0.000 0.248 760 N C -2.207 173.172 175.510 -0.219 0.000 1.276 760 N CA -0.538 52.288 53.050 -0.374 0.000 0.906 760 N CB 1.562 39.954 38.487 -0.158 0.000 1.564 760 N HN 0.062 nan 8.380 nan 0.000 0.500 761 D N 1.268 121.632 120.400 -0.060 0.000 2.264 761 D HA 0.392 5.032 4.640 -0.000 0.000 0.249 761 D C -0.471 175.966 176.300 0.229 0.000 1.070 761 D CA 0.177 54.240 54.000 0.105 0.000 0.912 761 D CB 0.807 41.662 40.800 0.091 0.000 1.193 761 D HN 0.429 nan 8.370 nan 0.000 0.427 762 F N -0.786 119.196 119.950 0.054 0.000 2.740 762 F HA 0.719 5.246 4.527 -0.000 0.000 0.357 762 F C -1.231 174.612 175.800 0.070 0.000 1.141 762 F CA -1.235 56.824 58.000 0.098 0.000 1.044 762 F CB 0.852 39.979 39.000 0.212 0.000 1.430 762 F HN 0.019 nan 8.300 nan 0.000 0.518 763 I N 1.618 121.986 120.570 -0.336 0.000 2.410 763 I HA 0.254 4.424 4.170 -0.000 0.000 0.286 763 I C -1.400 174.450 176.117 -0.446 0.000 1.009 763 I CA -0.140 60.911 61.300 -0.414 0.000 1.111 763 I CB 1.284 39.216 38.000 -0.114 0.000 1.262 763 I HN 0.566 nan 8.210 nan 0.000 0.443 764 D N 6.101 126.151 120.400 -0.584 0.000 2.427 764 D HA 0.404 5.044 4.640 -0.000 0.000 0.226 764 D C 0.555 176.816 176.300 -0.065 0.000 1.076 764 D CA -0.276 53.608 54.000 -0.194 0.000 0.849 764 D CB 0.524 41.254 40.800 -0.118 0.000 1.052 764 D HN 0.427 nan 8.370 nan 0.000 0.515 765 R N 3.006 123.508 120.500 0.003 0.000 3.770 765 R HA -0.225 4.115 4.340 -0.000 0.000 0.305 765 R C 0.955 177.254 176.300 -0.001 0.000 1.184 765 R CA 0.901 57.016 56.100 0.025 0.000 0.823 765 R CB -1.485 28.852 30.300 0.060 0.000 1.285 765 R HN 0.909 nan 8.270 nan 0.000 0.499 766 G N -0.599 108.184 108.800 -0.029 0.000 2.313 766 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.215 766 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.215 766 G C 0.102 174.967 174.900 -0.059 0.000 1.023 766 G CA 0.211 45.290 45.100 -0.034 0.000 0.626 766 G HN 0.362 nan 8.290 nan 0.000 0.503 767 R N 0.644 121.098 120.500 -0.077 0.000 2.312 767 R HA 0.591 4.931 4.340 -0.000 0.000 0.311 767 R C 0.089 176.297 176.300 -0.152 0.000 1.004 767 R CA -0.340 55.707 56.100 -0.089 0.000 0.902 767 R CB 1.639 31.898 30.300 -0.068 0.000 1.073 767 R HN 0.269 nan 8.270 nan 0.000 0.457 768 V N 5.437 125.276 119.914 -0.126 0.000 2.521 768 V HA 0.168 4.287 4.120 -0.000 0.000 0.286 768 V C -0.500 175.513 176.094 -0.134 0.000 1.034 768 V CA 0.656 62.865 62.300 -0.153 0.000 1.045 768 V CB 0.424 32.205 31.823 -0.071 0.000 0.974 768 V HN 0.788 nan 8.190 nan 0.000 0.480 769 K N 5.083 125.351 120.400 -0.219 0.000 2.197 769 K HA 0.629 4.949 4.320 -0.000 0.000 0.247 769 K C -1.159 175.526 176.600 0.141 0.000 1.077 769 K CA -1.166 55.096 56.287 -0.042 0.000 0.882 769 K CB 1.815 34.294 32.500 -0.036 0.000 1.396 769 K HN 0.493 nan 8.250 nan 0.000 0.482 770 K N 0.820 121.400 120.400 0.300 0.000 2.123 770 K HA 0.493 4.813 4.320 -0.000 0.000 0.248 770 K C -0.827 175.947 176.600 0.290 0.000 0.969 770 K CA -0.859 55.625 56.287 0.327 0.000 0.882 770 K CB 1.764 34.507 32.500 0.406 0.000 1.080 770 K HN 0.140 nan 8.250 nan 0.000 0.441 771 V N 2.598 122.518 119.914 0.010 0.000 2.417 771 V HA 0.332 4.452 4.120 -0.000 0.000 0.291 771 V C -1.134 174.797 176.094 -0.273 0.000 1.024 771 V CA -0.808 61.392 62.300 -0.168 0.000 0.861 771 V CB 0.446 32.151 31.823 -0.198 0.000 0.985 771 V HN 0.594 nan 8.190 nan 0.000 0.436 772 Y N 2.647 122.860 120.300 -0.145 0.000 2.549 772 Y HA 0.775 5.324 4.550 -0.000 0.000 0.339 772 Y C -0.050 175.729 175.900 -0.202 0.000 1.053 772 Y CA -0.772 57.261 58.100 -0.111 0.000 1.105 772 Y CB 2.358 40.780 38.460 -0.063 0.000 1.258 772 Y HN 0.367 nan 8.280 nan 0.000 0.478 773 V N 3.657 123.597 119.914 0.043 0.000 2.760 773 V HA 0.404 4.524 4.120 -0.000 0.000 0.309 773 V C -0.433 175.668 176.094 0.011 0.000 1.077 773 V CA -0.336 61.939 62.300 -0.042 0.000 0.910 773 V CB 1.976 33.784 31.823 -0.025 0.000 1.008 773 V HN 0.986 nan 8.190 nan 0.000 0.424 774 M N 2.157 121.755 119.600 -0.002 0.000 1.841 774 M HA 0.376 4.856 4.480 -0.000 0.000 0.171 774 M C -1.002 175.406 176.300 0.181 0.000 1.934 774 M CA 0.505 55.857 55.300 0.087 0.000 0.881 774 M CB 1.741 34.431 32.600 0.150 0.000 1.589 774 M HN 0.801 nan 8.290 nan 0.000 0.634 775 S N 0.440 116.354 115.700 0.358 0.000 2.841 775 S HA 0.162 4.631 4.470 -0.000 0.000 0.283 775 S C -1.408 173.454 174.600 0.437 0.000 0.839 775 S CA -0.963 57.478 58.200 0.401 0.000 0.843 775 S CB 0.531 63.962 63.200 0.386 0.000 1.059 775 S HN 0.423 nan 8.310 nan 0.000 0.502 776 E N 0.880 121.285 120.200 0.342 0.000 2.481 776 E HA 0.245 4.594 4.350 -0.000 0.000 0.263 776 E C 1.627 178.210 176.600 -0.028 0.000 0.992 776 E CA 0.397 56.851 56.400 0.090 0.000 0.938 776 E CB 0.548 30.349 29.700 0.169 0.000 0.933 776 E HN 0.803 nan 8.360 nan 0.000 0.453 777 A N 4.508 127.175 122.820 -0.256 0.000 1.940 777 A HA -0.265 4.055 4.320 -0.000 0.000 0.219 777 A C 1.915 179.368 177.584 -0.218 0.000 1.176 777 A CA 2.072 53.962 52.037 -0.245 0.000 0.631 777 A CB -0.427 18.383 19.000 -0.316 0.000 0.814 777 A HN 0.717 nan 8.150 nan 0.000 0.446 778 K N -1.672 118.554 120.400 -0.290 0.000 2.283 778 K HA -0.108 4.212 4.320 -0.000 0.000 0.202 778 K C 0.821 177.159 176.600 -0.435 0.000 1.048 778 K CA 1.387 57.444 56.287 -0.384 0.000 0.948 778 K CB -0.433 31.767 32.500 -0.500 0.000 0.742 778 K HN 0.538 nan 8.250 nan 0.000 0.458 779 Y N 2.003 122.194 120.300 -0.182 0.000 2.495 779 Y HA 0.163 4.713 4.550 -0.000 0.000 0.293 779 Y C 0.049 175.756 175.900 -0.322 0.000 1.186 779 Y CA -0.465 57.505 58.100 -0.216 0.000 1.266 779 Y CB 0.258 38.559 38.460 -0.265 0.000 1.101 779 Y HN 0.162 nan 8.280 nan 0.000 0.517 780 R N -2.244 118.068 120.500 -0.315 0.000 2.584 780 R HA 0.258 4.598 4.340 -0.000 0.000 0.218 780 R C -0.462 175.722 176.300 -0.194 0.000 1.396 780 R CA -0.027 55.598 56.100 -0.792 0.000 1.436 780 R CB -0.588 28.975 30.300 -1.228 0.000 1.468 780 R HN 0.039 nan 8.270 nan 0.000 0.776 781 M N 0.198 119.789 119.600 -0.015 0.000 2.838 781 M HA 0.350 4.830 4.480 -0.000 0.000 0.251 781 M C 0.238 176.602 176.300 0.107 0.000 1.393 781 M CA 0.702 56.028 55.300 0.043 0.000 1.196 781 M CB -0.194 32.385 32.600 -0.034 0.000 1.276 781 M HN 0.303 nan 8.290 nan 0.000 0.541 782 L N -1.761 119.526 121.223 0.107 0.000 2.256 782 L HA 0.443 4.783 4.340 -0.000 0.000 0.261 782 L C -1.738 175.116 176.870 -0.027 0.000 1.022 782 L CA -1.790 53.070 54.840 0.033 0.000 0.828 782 L CB -0.147 41.925 42.059 0.022 0.000 1.374 782 L HN -0.187 nan 8.230 nan 0.000 0.436 783 P HA -0.090 nan 4.420 nan 0.000 0.220 783 P C 0.218 177.478 177.300 -0.067 0.000 1.148 783 P CA 1.108 63.943 63.100 -0.442 0.000 0.803 783 P CB 0.119 31.561 31.700 -0.430 0.000 0.782 784 D N -1.103 119.313 120.400 0.027 0.000 2.312 784 D HA -0.095 4.545 4.640 -0.000 0.000 0.211 784 D C 1.093 177.461 176.300 0.113 0.000 0.964 784 D CA 0.746 54.789 54.000 0.071 0.000 0.877 784 D CB -0.415 40.419 40.800 0.056 0.000 0.924 784 D HN 0.203 nan 8.370 nan 0.000 0.515 785 D N 0.200 120.712 120.400 0.186 0.000 2.349 785 D HA -0.018 4.622 4.640 -0.000 0.000 0.224 785 D C 1.804 178.387 176.300 0.473 0.000 1.029 785 D CA 0.095 54.255 54.000 0.267 0.000 0.879 785 D CB 0.398 41.347 40.800 0.248 0.000 0.906 785 D HN 0.245 nan 8.370 nan 0.000 0.528 786 I N 1.011 121.813 120.570 0.387 0.000 2.252 786 I HA -0.126 4.044 4.170 -0.000 0.000 0.245 786 I C 2.502 178.751 176.117 0.220 0.000 1.102 786 I CA 1.090 62.568 61.300 0.297 0.000 1.385 786 I CB -1.254 36.785 38.000 0.065 0.000 1.064 786 I HN -0.003 nan 8.210 nan 0.000 0.414 787 G N 0.310 109.189 108.800 0.132 0.000 2.598 787 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.215 787 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.215 787 G C 1.083 175.885 174.900 -0.164 0.000 1.131 787 G CA 0.327 45.435 45.100 0.013 0.000 0.785 787 G HN 0.311 nan 8.290 nan 0.000 0.539 788 D N -0.273 120.075 120.400 -0.087 0.000 2.264 788 D HA -0.009 4.630 4.640 -0.000 0.000 0.208 788 D C 0.325 176.371 176.300 -0.423 0.000 0.966 788 D CA 0.237 54.094 54.000 -0.237 0.000 0.864 788 D CB -0.006 40.686 40.800 -0.179 0.000 0.933 788 D HN 0.458 nan 8.370 nan 0.000 0.499 789 W N 0.506 121.690 121.300 -0.194 0.000 2.345 789 W HA 0.323 4.983 4.660 -0.000 0.000 0.308 789 W C -0.496 175.990 176.519 -0.056 0.000 1.273 789 W CA -0.584 56.724 57.345 -0.062 0.000 1.243 789 W CB 0.154 29.587 29.460 -0.044 0.000 1.260 789 W HN -0.143 nan 8.180 nan 0.000 0.509 790 Y N 2.824 123.354 120.300 0.383 0.000 2.334 790 Y HA 0.430 4.980 4.550 -0.000 0.000 0.336 790 Y C 0.381 176.485 175.900 0.340 0.000 0.960 790 Y CA -1.207 57.078 58.100 0.309 0.000 1.164 790 Y CB 0.612 39.167 38.460 0.158 0.000 1.155 790 Y HN 0.019 nan 8.280 nan 0.000 0.478 791 V N 3.922 124.129 119.914 0.488 0.000 2.953 791 V HA 0.361 4.480 4.120 -0.000 0.000 0.304 791 V C 0.127 176.387 176.094 0.277 0.000 1.073 791 V CA -0.912 61.610 62.300 0.370 0.000 1.064 791 V CB 1.348 33.370 31.823 0.332 0.000 1.047 791 V HN 0.769 nan 8.190 nan 0.000 0.478 792 R N 2.391 123.010 120.500 0.198 0.000 2.474 792 R HA 0.755 5.095 4.340 -0.000 0.000 0.295 792 R C -0.356 176.007 176.300 0.106 0.000 0.980 792 R CA -0.182 56.003 56.100 0.142 0.000 0.934 792 R CB 1.432 31.801 30.300 0.115 0.000 1.101 792 R HN 0.843 nan 8.270 nan 0.000 0.469 793 A N 2.606 125.480 122.820 0.089 0.000 2.261 793 A HA 0.610 4.929 4.320 -0.000 0.000 0.323 793 A C 0.984 178.594 177.584 0.044 0.000 1.107 793 A CA -0.248 51.826 52.037 0.062 0.000 0.883 793 A CB 0.862 19.901 19.000 0.065 0.000 1.251 793 A HN 1.002 nan 8.150 nan 0.000 0.502 794 A N -0.066 122.772 122.820 0.030 0.000 2.024 794 A HA -0.116 4.204 4.320 -0.000 0.000 0.220 794 A C 0.980 178.578 177.584 0.023 0.000 1.164 794 A CA 2.079 54.130 52.037 0.022 0.000 0.643 794 A CB -0.830 18.179 19.000 0.014 0.000 0.806 794 A HN 0.864 nan 8.150 nan 0.000 0.451 795 D N -1.532 118.884 120.400 0.026 0.000 2.538 795 D HA 0.354 4.993 4.640 -0.000 0.000 0.234 795 D C 0.956 177.272 176.300 0.026 0.000 1.191 795 D CA 0.244 54.258 54.000 0.024 0.000 0.828 795 D CB -1.109 39.704 40.800 0.023 0.000 0.981 795 D HN 0.480 nan 8.370 nan 0.000 0.490 796 G N 0.869 109.687 108.800 0.030 0.000 2.402 796 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.300 796 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.300 796 G C -0.052 174.866 174.900 0.030 0.000 0.987 796 G CA 0.946 46.064 45.100 0.031 0.000 0.881 796 G HN 0.774 nan 8.290 nan 0.000 0.512 797 Q N -1.947 117.876 119.800 0.038 0.000 2.397 797 Q HA 0.815 5.154 4.340 -0.000 0.000 0.275 797 Q C -0.133 175.901 176.000 0.058 0.000 1.090 797 Q CA -1.328 54.495 55.803 0.034 0.000 0.809 797 Q CB 1.220 29.974 28.738 0.026 0.000 1.362 797 Q HN 0.107 nan 8.270 nan 0.000 0.431 798 M N 1.557 121.184 119.600 0.045 0.000 2.240 798 M HA 0.465 4.945 4.480 -0.000 0.000 0.333 798 M C -1.224 175.167 176.300 0.151 0.000 1.110 798 M CA 0.043 55.397 55.300 0.091 0.000 1.173 798 M CB 1.448 34.038 32.600 -0.016 0.000 1.458 798 M HN 0.603 nan 8.290 nan 0.000 0.458 799 V N 4.639 124.707 119.914 0.258 0.000 2.612 799 V HA 0.462 4.582 4.120 -0.000 0.000 0.301 799 V C -2.367 173.883 176.094 0.260 0.000 1.059 799 V CA -1.405 61.035 62.300 0.234 0.000 0.886 799 V CB 1.650 33.603 31.823 0.218 0.000 1.007 799 V HN 0.740 nan 8.190 nan 0.000 0.426 800 P HA 0.259 nan 4.420 nan 0.000 0.274 800 P C 0.624 177.706 177.300 -0.364 0.000 1.246 800 P CA -0.170 62.861 63.100 -0.116 0.000 0.795 800 P CB 1.239 32.871 31.700 -0.112 0.000 1.006 801 F N 0.643 120.332 119.950 -0.436 0.000 2.259 801 F HA -0.176 4.350 4.527 -0.000 0.000 0.298 801 F C 2.642 178.065 175.800 -0.628 0.000 1.088 801 F CA 2.064 59.724 58.000 -0.566 0.000 1.358 801 F CB -0.331 38.620 39.000 -0.081 0.000 1.040 801 F HN 0.287 nan 8.300 nan 0.000 0.505 802 S N -0.012 115.570 115.700 -0.196 0.000 2.469 802 S HA -0.164 4.305 4.470 -0.000 0.000 0.238 802 S C 2.115 176.584 174.600 -0.219 0.000 0.998 802 S CA 0.683 58.797 58.200 -0.142 0.000 0.957 802 S CB -0.753 62.412 63.200 -0.058 0.000 0.764 802 S HN 0.297 nan 8.310 nan 0.000 0.514 803 A N 2.099 124.694 122.820 -0.375 0.000 1.877 803 A HA 0.106 4.425 4.320 -0.000 0.000 0.216 803 A C 1.903 179.369 177.584 -0.197 0.000 1.186 803 A CA 1.413 53.288 52.037 -0.270 0.000 0.620 803 A CB -0.900 17.949 19.000 -0.251 0.000 0.822 803 A HN 0.882 nan 8.150 nan 0.000 0.443 804 F N -0.605 119.302 119.950 -0.070 0.000 2.678 804 F HA 0.371 4.898 4.527 -0.000 0.000 0.305 804 F C 0.745 176.491 175.800 -0.089 0.000 1.090 804 F CA -0.064 57.880 58.000 -0.094 0.000 1.272 804 F CB -0.216 38.697 39.000 -0.145 0.000 1.060 804 F HN 0.124 nan 8.300 nan 0.000 0.576 805 S N 0.786 116.508 115.700 0.037 0.000 2.537 805 S HA 0.678 5.148 4.470 -0.000 0.000 0.301 805 S C -0.362 174.254 174.600 0.026 0.000 1.092 805 S CA -0.229 58.031 58.200 0.101 0.000 1.048 805 S CB 1.831 65.142 63.200 0.186 0.000 1.053 805 S HN 0.351 nan 8.310 nan 0.000 0.501 806 S N 1.275 116.976 115.700 0.002 0.000 2.532 806 S HA 0.670 5.139 4.470 -0.000 0.000 0.299 806 S C -0.480 174.049 174.600 -0.117 0.000 1.105 806 S CA -0.469 57.706 58.200 -0.041 0.000 1.018 806 S CB 1.316 64.492 63.200 -0.041 0.000 1.021 806 S HN 1.433 nan 8.310 nan 0.000 0.483 807 S N 3.646 119.268 115.700 -0.130 0.000 2.489 807 S HA 0.858 5.328 4.470 -0.000 0.000 0.291 807 S C -0.496 173.901 174.600 -0.339 0.000 1.151 807 S CA -0.819 57.199 58.200 -0.304 0.000 1.082 807 S CB 0.494 63.663 63.200 -0.052 0.000 1.019 807 S HN 1.137 nan 8.310 nan 0.000 0.492 808 R N 1.842 121.963 120.500 -0.632 0.000 2.644 808 R HA 0.350 4.689 4.340 -0.000 0.000 0.257 808 R C -1.989 174.004 176.300 -0.512 0.000 1.082 808 R CA -0.912 54.962 56.100 -0.377 0.000 0.927 808 R CB 0.043 30.229 30.300 -0.191 0.000 1.258 808 R HN 0.594 nan 8.270 nan 0.000 0.459 809 W N 1.562 122.729 121.300 -0.222 0.000 2.283 809 W HA 0.459 5.118 4.660 -0.000 0.000 0.341 809 W C 0.551 176.961 176.519 -0.181 0.000 1.206 809 W CA 0.036 57.278 57.345 -0.172 0.000 1.294 809 W CB 0.947 30.347 29.460 -0.100 0.000 1.154 809 W HN 0.515 nan 8.180 nan 0.000 0.613 810 E N -0.291 119.954 120.200 0.074 0.000 2.446 810 E HA 0.322 4.672 4.350 -0.000 0.000 0.267 810 E C -1.868 174.700 176.600 -0.054 0.000 0.955 810 E CA -1.207 55.193 56.400 -0.001 0.000 0.842 810 E CB 2.078 31.773 29.700 -0.008 0.000 1.504 810 E HN 0.220 nan 8.360 nan 0.000 0.438 811 Y N 0.053 120.389 120.300 0.058 0.000 2.426 811 Y HA 0.493 5.043 4.550 -0.000 0.000 0.325 811 Y C 0.216 176.119 175.900 0.005 0.000 0.989 811 Y CA -0.412 57.712 58.100 0.041 0.000 1.284 811 Y CB 1.631 40.099 38.460 0.015 0.000 1.104 811 Y HN 0.569 nan 8.280 nan 0.000 0.481 812 G N 0.407 109.331 108.800 0.207 0.000 2.788 812 G HA2 0.495 4.455 3.960 -0.000 0.000 0.293 812 G HA3 0.495 4.455 3.960 -0.000 0.000 0.293 812 G C -1.130 173.866 174.900 0.159 0.000 1.305 812 G CA -0.940 44.235 45.100 0.125 0.000 1.005 812 G HN 0.366 nan 8.290 nan 0.000 0.496 813 S N -0.198 115.614 115.700 0.187 0.000 2.475 813 S HA 0.591 5.060 4.470 -0.000 0.000 0.298 813 S C -1.684 173.009 174.600 0.155 0.000 1.119 813 S CA -1.612 56.722 58.200 0.224 0.000 1.085 813 S CB 2.025 65.476 63.200 0.418 0.000 1.028 813 S HN 0.332 nan 8.310 nan 0.000 0.489 814 P HA 0.163 nan 4.420 nan 0.000 0.253 814 P C -0.273 177.076 177.300 0.082 0.000 1.260 814 P CA 0.145 63.305 63.100 0.099 0.000 0.800 814 P CB -0.195 31.564 31.700 0.097 0.000 1.162 815 R N 0.523 121.070 120.500 0.079 0.000 2.867 815 R HA 0.328 4.668 4.340 -0.000 0.000 0.288 815 R C -1.594 174.718 176.300 0.020 0.000 1.360 815 R CA -0.406 55.726 56.100 0.054 0.000 1.042 815 R CB -0.104 30.230 30.300 0.056 0.000 1.287 815 R HN -0.128 nan 8.270 nan 0.000 0.404 816 L N 3.780 125.006 121.223 0.004 0.000 2.265 816 L HA 0.479 4.819 4.340 -0.000 0.000 0.288 816 L C 0.025 176.874 176.870 -0.035 0.000 1.058 816 L CA -0.438 54.366 54.840 -0.060 0.000 0.809 816 L CB 1.498 43.533 42.059 -0.040 0.000 1.179 816 L HN 0.568 nan 8.230 nan 0.000 0.429 817 E N 3.843 124.011 120.200 -0.054 0.000 2.227 817 E HA 0.692 5.041 4.350 -0.000 0.000 0.268 817 E C -0.777 175.816 176.600 -0.012 0.000 0.990 817 E CA -0.929 55.463 56.400 -0.014 0.000 0.856 817 E CB 1.585 31.282 29.700 -0.006 0.000 1.159 817 E HN 0.447 nan 8.360 nan 0.000 0.401 818 R N 1.069 121.586 120.500 0.028 0.000 2.799 818 R HA 0.504 4.844 4.340 -0.000 0.000 0.270 818 R C -1.507 174.866 176.300 0.122 0.000 1.010 818 R CA -1.064 55.064 56.100 0.046 0.000 0.916 818 R CB 1.377 31.690 30.300 0.021 0.000 1.228 818 R HN 0.590 nan 8.270 nan 0.000 0.469 819 Y N 1.049 121.324 120.300 -0.042 0.000 2.330 819 Y HA 0.202 4.752 4.550 -0.000 0.000 0.324 819 Y C -0.678 175.202 175.900 -0.034 0.000 1.093 819 Y CA -0.663 57.413 58.100 -0.041 0.000 1.103 819 Y CB 1.289 39.701 38.460 -0.080 0.000 1.183 819 Y HN 0.765 nan 8.280 nan 0.000 0.433 820 N N 4.216 122.695 118.700 -0.367 0.000 2.740 820 N HA -0.190 4.550 4.740 -0.000 0.000 0.248 820 N C 0.832 176.285 175.510 -0.096 0.000 1.062 820 N CA 1.743 54.646 53.050 -0.244 0.000 0.704 820 N CB -1.122 37.236 38.487 -0.215 0.000 0.968 820 N HN 1.455 nan 8.380 nan 0.000 0.547 821 G N -1.655 107.102 108.800 -0.072 0.000 2.162 821 G HA2 -0.299 3.660 3.960 -0.000 0.000 0.260 821 G HA3 -0.299 3.660 3.960 -0.000 0.000 0.260 821 G C -0.066 174.825 174.900 -0.014 0.000 0.976 821 G CA 0.766 45.844 45.100 -0.037 0.000 0.655 821 G HN 0.499 nan 8.290 nan 0.000 0.533 822 L N -0.256 120.967 121.223 0.000 0.000 2.388 822 L HA 0.607 4.947 4.340 -0.000 0.000 0.264 822 L C -2.223 174.658 176.870 0.018 0.000 0.998 822 L CA -2.866 51.980 54.840 0.010 0.000 0.817 822 L CB 2.140 44.206 42.059 0.012 0.000 1.338 822 L HN -0.202 nan 8.230 nan 0.000 0.414 823 P HA 0.040 nan 4.420 nan 0.000 0.264 823 P C -0.600 176.692 177.300 -0.013 0.000 1.183 823 P CA 0.274 63.369 63.100 -0.009 0.000 0.763 823 P CB 1.286 32.979 31.700 -0.012 0.000 0.807 824 S N 1.838 117.521 115.700 -0.029 0.000 2.570 824 S HA 0.731 5.201 4.470 -0.000 0.000 0.270 824 S C -1.235 173.325 174.600 -0.068 0.000 1.149 824 S CA -0.680 57.495 58.200 -0.041 0.000 0.837 824 S CB 0.837 64.038 63.200 0.001 0.000 1.124 824 S HN 0.316 nan 8.310 nan 0.000 0.465 825 M N 2.496 122.047 119.600 -0.081 0.000 2.213 825 M HA 0.376 4.855 4.480 -0.000 0.000 0.286 825 M C -0.724 175.530 176.300 -0.078 0.000 1.008 825 M CA -0.471 54.787 55.300 -0.069 0.000 0.937 825 M CB 1.983 34.555 32.600 -0.047 0.000 1.600 825 M HN 0.669 nan 8.290 nan 0.000 0.450 826 E N 3.691 123.854 120.200 -0.063 0.000 2.373 826 E HA 0.311 4.661 4.350 -0.000 0.000 0.267 826 E C -1.160 175.416 176.600 -0.040 0.000 1.032 826 E CA -0.210 56.148 56.400 -0.070 0.000 0.889 826 E CB 0.868 30.539 29.700 -0.049 0.000 0.984 826 E HN 0.517 nan 8.360 nan 0.000 0.425 827 I N 6.344 126.899 120.570 -0.025 0.000 2.420 827 I HA 0.183 4.353 4.170 -0.000 0.000 0.282 827 I C -0.647 175.440 176.117 -0.050 0.000 1.019 827 I CA -0.494 60.814 61.300 0.013 0.000 1.130 827 I CB 0.937 39.026 38.000 0.148 0.000 1.262 827 I HN 0.591 nan 8.210 nan 0.000 0.454 828 L N 6.111 127.256 121.223 -0.130 0.000 2.287 828 L HA 0.512 4.852 4.340 -0.000 0.000 0.280 828 L C 0.781 177.409 176.870 -0.404 0.000 1.055 828 L CA -0.218 54.478 54.840 -0.240 0.000 0.863 828 L CB 1.177 43.137 42.059 -0.165 0.000 1.245 828 L HN 0.650 nan 8.230 nan 0.000 0.432 829 G N 2.526 110.800 108.800 -0.876 0.000 2.705 829 G HA2 0.695 4.655 3.960 -0.000 0.000 0.299 829 G HA3 0.695 4.655 3.960 -0.000 0.000 0.299 829 G C -1.019 173.309 174.900 -0.953 0.000 1.315 829 G CA -0.334 44.128 45.100 -1.062 0.000 1.045 829 G HN 0.496 nan 8.290 nan 0.000 0.517 830 Q N -0.915 118.641 119.800 -0.406 0.000 2.284 830 Q HA 0.532 4.872 4.340 -0.000 0.000 0.269 830 Q C -0.494 175.632 176.000 0.210 0.000 1.026 830 Q CA -0.883 54.891 55.803 -0.049 0.000 0.831 830 Q CB 2.536 31.229 28.738 -0.075 0.000 1.322 830 Q HN 0.819 nan 8.270 nan 0.000 0.419 831 A N 1.516 124.499 122.820 0.271 0.000 2.520 831 A HA 0.515 4.835 4.320 -0.000 0.000 0.235 831 A C 0.308 177.934 177.584 0.069 0.000 1.065 831 A CA 0.395 52.526 52.037 0.157 0.000 0.764 831 A CB 0.142 19.186 19.000 0.073 0.000 1.002 831 A HN 0.786 nan 8.150 nan 0.000 0.502 832 A N 3.039 125.882 122.820 0.039 0.000 2.366 832 A HA 0.502 4.822 4.320 -0.000 0.000 0.250 832 A C -0.931 176.654 177.584 0.002 0.000 1.099 832 A CA -0.564 51.483 52.037 0.016 0.000 0.794 832 A CB -0.426 18.576 19.000 0.004 0.000 1.056 832 A HN 0.667 nan 8.150 nan 0.000 0.499 833 P HA -0.039 nan 4.420 nan 0.000 0.226 833 P C 1.276 178.567 177.300 -0.015 0.000 1.153 833 P CA 1.664 64.758 63.100 -0.010 0.000 0.777 833 P CB 0.025 31.719 31.700 -0.010 0.000 0.794 834 G N -0.178 108.613 108.800 -0.014 0.000 2.564 834 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.212 834 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.212 834 G C 0.856 175.742 174.900 -0.023 0.000 1.199 834 G CA 0.140 45.229 45.100 -0.017 0.000 0.832 834 G HN 0.167 nan 8.290 nan 0.000 0.565 835 K N -0.157 120.229 120.400 -0.023 0.000 2.140 835 K HA 0.453 4.772 4.320 -0.000 0.000 0.237 835 K C -0.716 175.862 176.600 -0.037 0.000 1.045 835 K CA 0.056 56.323 56.287 -0.033 0.000 0.896 835 K CB 0.983 33.461 32.500 -0.037 0.000 1.122 835 K HN 0.168 nan 8.250 nan 0.000 0.503 836 S N 0.202 115.870 115.700 -0.053 0.000 2.423 836 S HA 0.183 4.653 4.470 -0.000 0.000 0.213 836 S C -0.262 174.282 174.600 -0.093 0.000 1.131 836 S CA 0.020 58.184 58.200 -0.060 0.000 1.155 836 S CB 0.095 63.259 63.200 -0.060 0.000 1.202 836 S HN 0.793 nan 8.310 nan 0.000 0.441 837 T N 3.253 117.748 114.554 -0.099 0.000 13.579 837 T HA -0.280 4.070 4.350 -0.000 0.000 0.419 837 T C 1.622 176.187 174.700 -0.226 0.000 1.441 837 T CA 2.046 64.051 62.100 -0.158 0.000 2.351 837 T CB -1.800 66.963 68.868 -0.174 0.000 2.790 837 T HN 1.133 nan 8.240 nan 0.000 0.520 838 G N 1.000 109.665 108.800 -0.225 0.000 2.450 838 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.220 838 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.220 838 G C 1.220 176.023 174.900 -0.161 0.000 1.130 838 G CA 1.720 46.689 45.100 -0.218 0.000 0.760 838 G HN 0.762 nan 8.290 nan 0.000 0.557 839 E N 0.026 120.146 120.200 -0.133 0.000 2.086 839 E HA 0.127 4.477 4.350 -0.000 0.000 0.190 839 E C 2.931 179.454 176.600 -0.128 0.000 0.975 839 E CA 0.515 56.852 56.400 -0.105 0.000 0.813 839 E CB -0.045 29.608 29.700 -0.078 0.000 0.768 839 E HN 0.394 nan 8.360 nan 0.000 0.457 840 A N 1.023 123.745 122.820 -0.162 0.000 1.873 840 A HA -0.168 4.152 4.320 -0.000 0.000 0.215 840 A C 2.145 179.526 177.584 -0.339 0.000 1.186 840 A CA 1.192 53.096 52.037 -0.221 0.000 0.616 840 A CB -0.449 18.428 19.000 -0.204 0.000 0.823 840 A HN 0.120 nan 8.150 nan 0.000 0.442 841 M N -0.245 119.140 119.600 -0.358 0.000 2.106 841 M HA -0.227 4.253 4.480 -0.000 0.000 0.259 841 M C 2.045 178.295 176.300 -0.084 0.000 1.068 841 M CA 2.168 57.305 55.300 -0.272 0.000 1.100 841 M CB -0.439 31.896 32.600 -0.442 0.000 1.351 841 M HN 0.720 nan 8.290 nan 0.000 0.404 842 E N 0.262 120.401 120.200 -0.102 0.000 2.285 842 E HA -0.087 4.262 4.350 -0.000 0.000 0.194 842 E C 1.351 177.907 176.600 -0.073 0.000 0.997 842 E CA 0.916 57.291 56.400 -0.043 0.000 0.845 842 E CB -0.317 29.363 29.700 -0.035 0.000 0.782 842 E HN 0.443 nan 8.360 nan 0.000 0.491 843 L N 0.140 121.296 121.223 -0.112 0.000 2.629 843 L HA 0.285 4.625 4.340 -0.000 0.000 0.230 843 L C 1.524 178.297 176.870 -0.163 0.000 1.151 843 L CA 0.177 54.957 54.840 -0.101 0.000 0.924 843 L CB 0.171 42.189 42.059 -0.069 0.000 1.137 843 L HN 0.278 nan 8.230 nan 0.000 0.457 844 M N -1.954 117.488 119.600 -0.263 0.000 2.379 844 M HA 0.087 4.567 4.480 -0.000 0.000 0.265 844 M C 1.504 177.483 176.300 -0.535 0.000 1.095 844 M CA 0.521 55.554 55.300 -0.446 0.000 1.075 844 M CB 0.513 32.710 32.600 -0.670 0.000 1.443 844 M HN 0.225 nan 8.290 nan 0.000 0.519 845 E N 0.857 120.855 120.200 -0.337 0.000 2.072 845 E HA -0.203 4.147 4.350 -0.000 0.000 0.190 845 E C 1.635 178.104 176.600 -0.218 0.000 0.982 845 E CA 1.177 57.362 56.400 -0.357 0.000 0.803 845 E CB 0.075 29.746 29.700 -0.048 0.000 0.755 845 E HN 0.492 nan 8.360 nan 0.000 0.453 846 Q N 0.612 120.345 119.800 -0.110 0.000 2.436 846 Q HA -0.048 4.292 4.340 -0.000 0.000 0.209 846 Q C 1.711 177.676 176.000 -0.059 0.000 0.965 846 Q CA 0.920 56.693 55.803 -0.050 0.000 0.910 846 Q CB -0.473 28.249 28.738 -0.027 0.000 0.980 846 Q HN 0.295 nan 8.270 nan 0.000 0.491 847 L N -0.480 120.674 121.223 -0.115 0.000 2.307 847 L HA 0.226 4.566 4.340 -0.000 0.000 0.211 847 L C 2.132 178.949 176.870 -0.089 0.000 1.099 847 L CA 0.734 55.522 54.840 -0.086 0.000 0.816 847 L CB -0.453 41.537 42.059 -0.116 0.000 0.952 847 L HN 0.346 nan 8.230 nan 0.000 0.455 848 A N 0.071 122.799 122.820 -0.153 0.000 2.067 848 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 848 A C 2.392 180.021 177.584 0.076 0.000 1.156 848 A CA 1.364 53.379 52.037 -0.036 0.000 0.683 848 A CB -0.306 18.637 19.000 -0.095 0.000 0.808 848 A HN 0.456 nan 8.150 nan 0.000 0.455 849 S N -0.966 114.770 115.700 0.060 0.000 2.528 849 S HA 0.104 4.574 4.470 -0.000 0.000 0.219 849 S C 1.203 175.835 174.600 0.054 0.000 0.985 849 S CA 0.542 58.800 58.200 0.098 0.000 0.914 849 S CB -0.145 63.119 63.200 0.106 0.000 0.776 849 S HN 0.470 nan 8.310 nan 0.000 0.526 850 K N 0.822 121.240 120.400 0.030 0.000 2.500 850 K HA 0.405 4.725 4.320 -0.000 0.000 0.206 850 K C -0.392 176.223 176.600 0.025 0.000 1.034 850 K CA -0.125 56.174 56.287 0.021 0.000 1.179 850 K CB 0.038 32.543 32.500 0.009 0.000 0.884 850 K HN 0.415 nan 8.250 nan 0.000 0.493 851 L N 0.501 121.746 121.223 0.037 0.000 2.298 851 L HA 0.449 4.789 4.340 -0.000 0.000 0.268 851 L C -1.977 174.915 176.870 0.036 0.000 1.010 851 L CA -2.355 52.508 54.840 0.037 0.000 0.812 851 L CB 0.801 42.890 42.059 0.050 0.000 1.331 851 L HN -0.038 nan 8.230 nan 0.000 0.450 852 P HA 0.086 nan 4.420 nan 0.000 0.272 852 P C -0.745 176.572 177.300 0.029 0.000 1.254 852 P CA -0.333 62.783 63.100 0.026 0.000 0.795 852 P CB 0.219 31.933 31.700 0.023 0.000 1.022 853 T N 0.131 114.699 114.554 0.023 0.000 2.918 853 T HA 0.395 4.745 4.350 -0.000 0.000 0.302 853 T C 1.040 175.752 174.700 0.020 0.000 1.045 853 T CA 0.963 63.075 62.100 0.021 0.000 1.114 853 T CB -0.030 68.848 68.868 0.016 0.000 0.965 853 T HN 0.833 nan 8.240 nan 0.000 0.540 854 G N 1.212 110.022 108.800 0.017 0.000 2.198 854 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.257 854 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.257 854 G C -0.094 174.816 174.900 0.016 0.000 1.042 854 G CA -0.130 44.978 45.100 0.013 0.000 0.791 854 G HN 0.805 nan 8.290 nan 0.000 0.502 855 V N 0.041 119.969 119.914 0.023 0.000 2.498 855 V HA 0.727 4.846 4.120 -0.000 0.000 0.283 855 V C 0.825 176.949 176.094 0.050 0.000 1.015 855 V CA 0.033 62.352 62.300 0.031 0.000 0.867 855 V CB 1.129 32.977 31.823 0.041 0.000 1.025 855 V HN 0.800 nan 8.190 nan 0.000 0.441 856 G N 3.439 112.252 108.800 0.022 0.000 2.890 856 G HA2 0.818 4.777 3.960 -0.000 0.000 0.189 856 G HA3 0.818 4.777 3.960 -0.000 0.000 0.189 856 G C -1.029 173.901 174.900 0.050 0.000 1.342 856 G CA -0.410 44.700 45.100 0.016 0.000 1.026 856 G HN 0.856 nan 8.290 nan 0.000 0.579 857 Y N -2.772 117.418 120.300 -0.183 0.000 2.689 857 Y HA 0.750 5.300 4.550 -0.000 0.000 0.333 857 Y C -1.719 173.915 175.900 -0.444 0.000 1.208 857 Y CA -1.396 56.444 58.100 -0.433 0.000 1.055 857 Y CB 1.904 40.051 38.460 -0.522 0.000 1.304 857 Y HN 0.573 nan 8.280 nan 0.000 0.455 858 D N 0.267 120.340 120.400 -0.544 0.000 2.745 858 D HA 0.159 4.798 4.640 -0.000 0.000 0.221 858 D C -2.101 173.844 176.300 -0.592 0.000 1.237 858 D CA -0.350 53.388 54.000 -0.438 0.000 0.781 858 D CB 1.573 42.212 40.800 -0.269 0.000 1.575 858 D HN 0.661 nan 8.370 nan 0.000 0.482 859 W N 1.314 122.502 121.300 -0.187 0.000 2.313 859 W HA 0.505 5.165 4.660 -0.000 0.000 0.328 859 W C 0.359 176.709 176.519 -0.281 0.000 1.197 859 W CA 0.092 57.341 57.345 -0.160 0.000 1.235 859 W CB 1.581 31.056 29.460 0.024 0.000 1.158 859 W HN 0.090 nan 8.180 nan 0.000 0.578 860 T N 1.278 115.837 114.554 0.009 0.000 3.012 860 T HA 0.736 5.085 4.350 -0.000 0.000 0.330 860 T C -0.304 174.397 174.700 0.003 0.000 1.321 860 T CA -0.474 61.510 62.100 -0.194 0.000 1.067 860 T CB 1.556 70.186 68.868 -0.396 0.000 1.235 860 T HN 0.953 nan 8.240 nan 0.000 0.479 864 Y N 2.631 122.880 120.300 -0.085 0.000 1.810 864 Y HA -0.530 4.020 4.550 -0.000 0.000 0.241 864 Y C 1.293 177.176 175.900 -0.028 0.000 0.788 864 Y CA 2.404 60.455 58.100 -0.081 0.000 1.597 864 Y CB -1.537 36.859 38.460 -0.107 0.000 0.618 864 Y HN 0.926 nan 8.280 nan 0.000 0.728 865 Q N -0.214 119.084 119.800 -0.837 0.000 2.371 865 Q HA -0.196 4.144 4.340 -0.000 0.000 0.169 865 Q C -0.678 175.005 176.000 -0.529 0.000 0.577 865 Q CA 1.561 56.972 55.803 -0.653 0.000 1.340 865 Q CB -1.150 27.468 28.738 -0.200 0.000 1.201 865 Q HN 0.757 nan 8.270 nan 0.000 0.984 866 E N -1.236 118.740 120.200 -0.374 0.000 4.743 866 E HA 0.246 4.596 4.350 -0.000 0.000 0.370 866 E C -1.354 175.322 176.600 0.126 0.000 1.110 866 E CA -0.052 56.337 56.400 -0.017 0.000 0.723 866 E CB 0.322 29.994 29.700 -0.045 0.000 1.108 866 E HN 0.237 nan 8.360 nan 0.000 0.623 867 R N 1.851 122.498 120.500 0.245 0.000 2.747 867 R HA 0.710 5.050 4.340 -0.000 0.000 0.272 867 R C -0.719 175.639 176.300 0.096 0.000 1.032 867 R CA -0.843 55.324 56.100 0.112 0.000 0.896 867 R CB 1.117 31.425 30.300 0.015 0.000 1.253 867 R HN 0.358 nan 8.270 nan 0.000 0.461 868 L N -0.756 120.504 121.223 0.062 0.000 5.621 868 L HA -0.298 4.042 4.340 -0.000 0.000 0.281 868 L C 0.072 177.091 176.870 0.248 0.000 1.106 868 L CA 0.902 55.812 54.840 0.116 0.000 1.259 868 L CB -1.376 40.684 42.059 0.001 0.000 2.049 868 L HN 0.866 nan 8.230 nan 0.000 0.852 869 S N 0.159 115.991 115.700 0.221 0.000 2.558 869 S HA 0.455 4.925 4.470 -0.000 0.000 0.288 869 S C 0.473 175.132 174.600 0.100 0.000 1.318 869 S CA -0.038 58.264 58.200 0.171 0.000 1.056 869 S CB 0.626 63.890 63.200 0.107 0.000 0.853 869 S HN 1.163 nan 8.310 nan 0.000 0.505 870 G N 2.874 111.733 108.800 0.098 0.000 2.580 870 G HA2 0.340 4.300 3.960 -0.000 0.000 0.278 870 G HA3 0.340 4.300 3.960 -0.000 0.000 0.278 870 G C 0.827 175.749 174.900 0.036 0.000 1.212 870 G CA -0.183 44.964 45.100 0.079 0.000 0.939 870 G HN 1.113 nan 8.290 nan 0.000 0.513 871 N N -0.335 118.386 118.700 0.035 0.000 1.767 871 N HA -0.476 4.264 4.740 -0.000 0.000 0.142 871 N C 1.691 177.252 175.510 0.085 0.000 0.293 871 N CA 2.398 55.487 53.050 0.065 0.000 1.332 871 N CB -1.120 37.424 38.487 0.095 0.000 1.325 871 N HN 0.701 nan 8.380 nan 0.000 0.417 872 Q N 1.688 121.556 119.800 0.113 0.000 1.867 872 Q HA -0.187 4.153 4.340 -0.000 0.000 0.243 872 Q C 2.283 178.363 176.000 0.133 0.000 1.036 872 Q CA 3.673 59.557 55.803 0.136 0.000 0.889 872 Q CB -0.900 27.955 28.738 0.195 0.000 0.983 872 Q HN 0.690 nan 8.270 nan 0.000 0.418 873 A N 0.742 123.650 122.820 0.147 0.000 1.879 873 A HA -0.275 4.045 4.320 -0.000 0.000 0.222 873 A C -0.226 177.502 177.584 0.239 0.000 1.368 873 A CA 2.589 54.736 52.037 0.183 0.000 0.707 873 A CB -2.394 16.705 19.000 0.165 0.000 0.846 873 A HN 0.596 nan 8.150 nan 0.000 0.468 874 P HA -0.237 nan 4.420 nan 0.000 0.222 874 P C 1.830 179.211 177.300 0.134 0.000 1.147 874 P CA 2.395 65.550 63.100 0.092 0.000 0.958 874 P CB -0.385 31.339 31.700 0.041 0.000 0.788 875 S N -1.300 114.463 115.700 0.105 0.000 2.387 875 S HA -0.150 4.320 4.470 -0.000 0.000 0.230 875 S C 1.855 176.522 174.600 0.111 0.000 1.035 875 S CA 1.119 59.376 58.200 0.094 0.000 1.014 875 S CB -1.067 62.178 63.200 0.075 0.000 0.836 875 S HN 0.085 nan 8.310 nan 0.000 0.466 876 L N -0.659 120.635 121.223 0.117 0.000 1.994 876 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 876 L C 2.254 179.125 176.870 0.002 0.000 1.071 876 L CA 1.622 56.492 54.840 0.051 0.000 0.745 876 L CB -0.847 41.191 42.059 -0.034 0.000 0.892 876 L HN 0.295 nan 8.230 nan 0.000 0.431 877 Y N 0.211 120.487 120.300 -0.041 0.000 2.128 877 Y HA -0.269 4.280 4.550 -0.000 0.000 0.284 877 Y C 2.722 178.612 175.900 -0.016 0.000 1.154 877 Y CA 1.273 59.348 58.100 -0.043 0.000 1.149 877 Y CB -0.912 37.519 38.460 -0.049 0.000 0.976 877 Y HN 0.149 nan 8.280 nan 0.000 0.505 878 A N 0.372 123.291 122.820 0.165 0.000 1.894 878 A HA -0.305 4.015 4.320 -0.000 0.000 0.220 878 A C 2.146 179.771 177.584 0.070 0.000 1.237 878 A CA 2.724 54.816 52.037 0.091 0.000 0.660 878 A CB -1.247 17.796 19.000 0.072 0.000 0.835 878 A HN 0.433 nan 8.150 nan 0.000 0.461 879 I N -0.393 120.220 120.570 0.072 0.000 2.353 879 I HA -0.135 4.034 4.170 -0.000 0.000 0.248 879 I C 2.587 178.730 176.117 0.044 0.000 1.119 879 I CA 1.536 62.879 61.300 0.071 0.000 1.417 879 I CB -0.281 37.791 38.000 0.120 0.000 1.078 879 I HN 0.204 nan 8.210 nan 0.000 0.421 880 S N 0.120 115.825 115.700 0.007 0.000 2.440 880 S HA -0.099 4.371 4.470 -0.000 0.000 0.240 880 S C 1.885 176.502 174.600 0.029 0.000 1.014 880 S CA 0.967 59.155 58.200 -0.020 0.000 0.980 880 S CB -0.172 62.964 63.200 -0.108 0.000 0.775 880 S HN 0.309 nan 8.310 nan 0.000 0.499 881 L N 0.295 121.551 121.223 0.054 0.000 2.253 881 L HA 0.212 4.552 4.340 -0.000 0.000 0.205 881 L C 1.825 178.735 176.870 0.067 0.000 1.078 881 L CA 1.044 55.925 54.840 0.067 0.000 0.805 881 L CB -0.603 41.494 42.059 0.064 0.000 0.963 881 L HN 0.340 nan 8.230 nan 0.000 0.459 882 I N -1.071 119.529 120.570 0.050 0.000 2.676 882 I HA -0.183 3.987 4.170 -0.000 0.000 0.259 882 I C 2.222 178.388 176.117 0.081 0.000 1.194 882 I CA 0.433 61.756 61.300 0.039 0.000 1.473 882 I CB -0.081 37.935 38.000 0.028 0.000 1.096 882 I HN -0.016 nan 8.210 nan 0.000 0.443 883 V N -0.569 119.397 119.914 0.086 0.000 2.326 883 V HA -0.123 3.997 4.120 -0.000 0.000 0.238 883 V C 2.288 178.448 176.094 0.110 0.000 1.038 883 V CA 0.925 63.282 62.300 0.094 0.000 1.032 883 V CB -0.333 31.529 31.823 0.066 0.000 0.675 883 V HN 0.143 nan 8.190 nan 0.000 0.467 884 V N 0.070 120.033 119.914 0.083 0.000 2.311 884 V HA -0.396 3.724 4.120 -0.000 0.000 0.259 884 V C 2.220 178.354 176.094 0.068 0.000 1.086 884 V CA 3.036 65.373 62.300 0.062 0.000 1.078 884 V CB -0.583 31.270 31.823 0.051 0.000 0.668 884 V HN 0.644 nan 8.190 nan 0.000 0.452 885 F N -1.043 118.886 119.950 -0.034 0.000 2.216 885 F HA -0.158 4.369 4.527 -0.000 0.000 0.300 885 F C 1.844 177.626 175.800 -0.031 0.000 1.085 885 F CA 1.400 59.361 58.000 -0.065 0.000 1.326 885 F CB 0.027 38.983 39.000 -0.073 0.000 1.027 885 F HN 0.054 nan 8.300 nan 0.000 0.497 886 L N -0.264 121.057 121.223 0.162 0.000 1.913 886 L HA -0.198 4.142 4.340 -0.000 0.000 0.215 886 L C 2.613 179.496 176.870 0.022 0.000 1.117 886 L CA 1.549 56.466 54.840 0.129 0.000 0.798 886 L CB -1.650 40.503 42.059 0.156 0.000 0.893 886 L HN 0.246 nan 8.230 nan 0.000 0.440 887 C N 0.396 119.723 119.300 0.045 0.000 2.362 887 C HA -0.275 4.185 4.460 -0.000 0.000 0.242 887 C C 1.999 177.016 174.990 0.045 0.000 1.022 887 C CA 0.524 59.566 59.018 0.039 0.000 1.909 887 C CB -1.654 26.104 27.740 0.030 0.000 2.175 887 C HN 0.395 nan 8.230 nan 0.000 0.420 888 L N 0.661 121.837 121.223 -0.079 0.000 2.533 888 L HA 0.319 4.659 4.340 -0.000 0.000 0.239 888 L C 1.074 177.779 176.870 -0.276 0.000 1.376 888 L CA 0.994 55.670 54.840 -0.272 0.000 1.240 888 L CB -0.877 40.909 42.059 -0.454 0.000 1.487 888 L HN 0.644 nan 8.230 nan 0.000 0.419 889 A N 0.175 123.015 122.820 0.033 0.000 2.317 889 A HA 0.065 4.384 4.320 -0.000 0.000 0.198 889 A C 1.645 179.256 177.584 0.046 0.000 2.567 889 A CA 0.446 52.482 52.037 -0.002 0.000 1.525 889 A CB -0.716 18.229 19.000 -0.092 0.000 1.020 889 A HN 0.377 nan 8.150 nan 0.000 0.433 890 A N -0.564 122.291 122.820 0.058 0.000 2.172 890 A HA 0.387 4.707 4.320 -0.000 0.000 0.216 890 A C 1.123 178.705 177.584 -0.002 0.000 1.154 890 A CA 1.699 53.755 52.037 0.032 0.000 0.701 890 A CB -0.240 18.782 19.000 0.037 0.000 0.789 890 A HN 0.670 nan 8.150 nan 0.000 0.465 891 L N -2.568 118.661 121.223 0.011 0.000 3.439 891 L HA 0.332 4.672 4.340 -0.000 0.000 0.313 891 L C 0.159 176.723 176.870 -0.510 0.000 1.292 891 L CA 0.519 55.222 54.840 -0.227 0.000 1.020 891 L CB -1.087 40.785 42.059 -0.311 0.000 1.424 891 L HN 0.491 nan 8.230 nan 0.000 0.612 892 Y N 0.179 120.413 120.300 -0.110 0.000 3.147 892 Y HA 0.190 4.740 4.550 -0.000 0.000 0.219 892 Y C 0.222 176.038 175.900 -0.139 0.000 1.021 892 Y CA -0.654 57.372 58.100 -0.125 0.000 1.440 892 Y CB 0.480 38.852 38.460 -0.146 0.000 1.472 892 Y HN 0.096 nan 8.280 nan 0.000 0.408 893 E N 1.275 121.474 120.200 -0.001 0.000 7.670 893 E HA -0.000 4.350 4.350 -0.000 0.000 0.463 893 E C -0.271 176.240 176.600 -0.148 0.000 0.435 893 E CA 0.696 57.019 56.400 -0.128 0.000 0.770 893 E CB -1.051 28.567 29.700 -0.137 0.000 0.972 893 E HN 0.494 nan 8.360 nan 0.000 0.272 894 S N 0.378 115.908 115.700 -0.282 0.000 2.813 894 S HA 0.121 4.591 4.470 -0.000 0.000 0.297 894 S C -1.584 172.893 174.600 -0.205 0.000 1.143 894 S CA -0.492 57.578 58.200 -0.217 0.000 1.448 894 S CB 0.056 63.210 63.200 -0.077 0.000 1.285 894 S HN 0.818 nan 8.310 nan 0.000 0.385 895 W N 1.711 122.993 121.300 -0.031 0.000 1.267 895 W HA 0.516 5.176 4.660 -0.000 0.000 0.314 895 W C 0.652 177.222 176.519 0.084 0.000 0.896 895 W CA -0.081 57.274 57.345 0.016 0.000 1.521 895 W CB 0.997 30.551 29.460 0.157 0.000 1.654 895 W HN 1.110 nan 8.180 nan 0.000 0.454 896 S N -2.445 113.345 115.700 0.150 0.000 3.299 896 S HA -0.016 4.454 4.470 -0.000 0.000 0.213 896 S C 1.084 175.702 174.600 0.030 0.000 0.997 896 S CA -0.046 58.281 58.200 0.212 0.000 1.189 896 S CB 0.090 63.393 63.200 0.172 0.000 1.106 896 S HN 0.132 nan 8.310 nan 0.000 0.403 897 I N 3.430 123.955 120.570 -0.074 0.000 2.113 897 I HA -0.124 4.046 4.170 -0.000 0.000 0.242 897 I C -1.004 174.950 176.117 -0.272 0.000 1.064 897 I CA 2.098 63.307 61.300 -0.151 0.000 1.320 897 I CB -1.026 36.874 38.000 -0.166 0.000 1.028 897 I HN 0.333 nan 8.210 nan 0.000 0.406 898 P HA -0.104 nan 4.420 nan 0.000 0.220 898 P C 1.609 178.780 177.300 -0.216 0.000 1.152 898 P CA 1.414 64.221 63.100 -0.489 0.000 0.812 898 P CB -0.138 31.031 31.700 -0.886 0.000 0.792 899 F N 0.773 120.734 119.950 0.018 0.000 2.171 899 F HA -0.202 4.324 4.527 -0.000 0.000 0.300 899 F C 2.579 178.380 175.800 0.001 0.000 1.090 899 F CA 1.205 59.234 58.000 0.048 0.000 1.293 899 F CB -1.031 38.008 39.000 0.065 0.000 1.013 899 F HN -0.006 nan 8.300 nan 0.000 0.486 900 S N -0.030 115.752 115.700 0.137 0.000 2.359 900 S HA -0.191 4.279 4.470 -0.000 0.000 0.224 900 S C 1.962 176.574 174.600 0.019 0.000 1.035 900 S CA 1.407 59.644 58.200 0.061 0.000 1.018 900 S CB -1.201 62.017 63.200 0.029 0.000 0.876 900 S HN 0.189 nan 8.310 nan 0.000 0.448 901 V N 1.287 121.183 119.914 -0.030 0.000 2.515 901 V HA 0.082 4.201 4.120 -0.000 0.000 0.250 901 V C 2.311 178.415 176.094 0.017 0.000 1.058 901 V CA 1.760 64.035 62.300 -0.041 0.000 1.064 901 V CB -0.489 31.263 31.823 -0.118 0.000 0.675 901 V HN 0.569 nan 8.190 nan 0.000 0.461 902 M N -0.028 119.612 119.600 0.066 0.000 2.568 902 M HA 0.139 4.618 4.480 -0.000 0.000 0.226 902 M C 0.599 176.979 176.300 0.134 0.000 1.148 902 M CA 0.785 56.157 55.300 0.119 0.000 1.007 902 M CB 0.020 32.744 32.600 0.206 0.000 1.651 902 M HN 0.415 nan 8.290 nan 0.000 0.488 903 L N -3.826 117.466 121.223 0.115 0.000 3.358 903 L HA 0.286 4.626 4.340 -0.000 0.000 0.301 903 L C 0.873 177.844 176.870 0.167 0.000 1.276 903 L CA -0.461 54.470 54.840 0.152 0.000 1.028 903 L CB -0.400 41.717 42.059 0.096 0.000 1.421 903 L HN -0.204 nan 8.230 nan 0.000 0.604 904 V N -1.158 118.816 119.914 0.099 0.000 2.788 904 V HA -0.102 4.018 4.120 -0.000 0.000 0.251 904 V C 2.555 178.695 176.094 0.077 0.000 1.068 904 V CA 1.238 63.587 62.300 0.083 0.000 1.090 904 V CB -0.062 31.778 31.823 0.029 0.000 0.710 904 V HN 0.396 nan 8.190 nan 0.000 0.467 905 V N 0.293 120.249 119.914 0.070 0.000 2.243 905 V HA -0.305 3.815 4.120 -0.000 0.000 0.258 905 V C 0.225 176.345 176.094 0.044 0.000 1.073 905 V CA 2.851 65.184 62.300 0.055 0.000 1.069 905 V CB -2.772 29.087 31.823 0.060 0.000 0.681 905 V HN 0.535 nan 8.190 nan 0.000 0.457 906 P HA 0.079 nan 4.420 nan 0.000 0.227 906 P C 1.763 179.069 177.300 0.009 0.000 1.161 906 P CA 0.515 63.615 63.100 -0.000 0.000 0.788 906 P CB -0.060 31.605 31.700 -0.058 0.000 0.822 907 L N 0.178 121.435 121.223 0.056 0.000 1.956 907 L HA -0.139 4.201 4.340 -0.000 0.000 0.216 907 L C 2.681 179.572 176.870 0.035 0.000 1.073 907 L CA 2.659 57.533 54.840 0.056 0.000 0.762 907 L CB -1.963 40.145 42.059 0.083 0.000 0.889 907 L HN 0.032 nan 8.230 nan 0.000 0.433 908 G N -1.647 107.170 108.800 0.027 0.000 2.408 908 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.217 908 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.217 908 G C 1.638 176.560 174.900 0.037 0.000 1.150 908 G CA 0.840 45.951 45.100 0.017 0.000 0.776 908 G HN 0.251 nan 8.290 nan 0.000 0.542 909 V N 0.817 120.754 119.914 0.038 0.000 2.407 909 V HA -0.150 3.970 4.120 -0.000 0.000 0.248 909 V C 2.581 178.735 176.094 0.100 0.000 1.055 909 V CA 1.625 63.962 62.300 0.061 0.000 1.049 909 V CB -0.270 31.571 31.823 0.030 0.000 0.662 909 V HN 0.433 nan 8.190 nan 0.000 0.455 910 I N 0.685 121.292 120.570 0.062 0.000 2.286 910 I HA -0.139 4.031 4.170 -0.000 0.000 0.248 910 I C 2.257 178.420 176.117 0.077 0.000 1.115 910 I CA 1.815 63.154 61.300 0.065 0.000 1.392 910 I CB -0.486 37.525 38.000 0.018 0.000 1.065 910 I HN 0.268 nan 8.210 nan 0.000 0.418 911 G N -0.272 108.567 108.800 0.064 0.000 2.408 911 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.217 911 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.217 911 G C 1.729 176.693 174.900 0.106 0.000 1.150 911 G CA 0.595 45.729 45.100 0.057 0.000 0.776 911 G HN 0.552 nan 8.290 nan 0.000 0.542 912 A N 0.640 123.564 122.820 0.173 0.000 1.898 912 A HA 0.120 4.440 4.320 -0.000 0.000 0.216 912 A C 2.403 180.230 177.584 0.404 0.000 1.181 912 A CA 1.144 53.376 52.037 0.325 0.000 0.620 912 A CB -0.389 18.817 19.000 0.343 0.000 0.819 912 A HN 0.342 nan 8.150 nan 0.000 0.442 913 L N -1.113 120.330 121.223 0.367 0.000 2.093 913 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 913 L C 2.569 179.485 176.870 0.076 0.000 1.085 913 L CA 0.842 55.833 54.840 0.250 0.000 0.755 913 L CB -0.446 41.778 42.059 0.274 0.000 0.904 913 L HN 0.369 nan 8.230 nan 0.000 0.435 914 L N -0.394 120.876 121.223 0.079 0.000 1.976 914 L HA -0.208 4.132 4.340 -0.000 0.000 0.209 914 L C 2.797 179.691 176.870 0.040 0.000 1.071 914 L CA 1.663 56.524 54.840 0.035 0.000 0.746 914 L CB -0.515 41.536 42.059 -0.013 0.000 0.890 914 L HN 0.207 nan 8.230 nan 0.000 0.432 915 A N -0.700 122.138 122.820 0.029 0.000 1.940 915 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 915 A C 2.372 179.992 177.584 0.060 0.000 1.176 915 A CA 1.970 54.045 52.037 0.063 0.000 0.631 915 A CB -0.903 18.130 19.000 0.054 0.000 0.814 915 A HN 0.514 nan 8.150 nan 0.000 0.446 916 A N -1.104 121.676 122.820 -0.067 0.000 1.854 916 A HA -0.022 4.298 4.320 -0.000 0.000 0.214 916 A C 2.253 179.743 177.584 -0.157 0.000 1.192 916 A CA 2.050 53.945 52.037 -0.237 0.000 0.611 916 A CB -1.255 17.294 19.000 -0.751 0.000 0.832 916 A HN 0.423 nan 8.150 nan 0.000 0.442 917 T N -0.635 113.855 114.554 -0.107 0.000 2.929 917 T HA -0.087 4.262 4.350 -0.000 0.000 0.271 917 T C 1.429 176.162 174.700 0.055 0.000 1.085 917 T CA 1.379 63.456 62.100 -0.039 0.000 1.125 917 T CB -0.318 68.545 68.868 -0.008 0.000 0.874 917 T HN 0.396 nan 8.240 nan 0.000 0.494 918 F N 1.772 121.680 119.950 -0.070 0.000 2.044 918 F HA 0.239 4.766 4.527 -0.000 0.000 0.287 918 F C 1.260 177.034 175.800 -0.044 0.000 1.155 918 F CA 0.407 58.381 58.000 -0.043 0.000 1.152 918 F CB -0.125 38.858 39.000 -0.028 0.000 1.013 918 F HN -0.181 nan 8.300 nan 0.000 0.478 919 R N 1.186 121.676 120.500 -0.016 0.000 2.370 919 R HA 0.137 4.477 4.340 -0.000 0.000 0.309 919 R C -0.160 176.091 176.300 -0.082 0.000 1.059 919 R CA 0.318 56.353 56.100 -0.108 0.000 0.981 919 R CB 0.079 30.371 30.300 -0.013 0.000 0.972 919 R HN 0.500 nan 8.270 nan 0.000 0.437 920 G N 6.626 115.363 108.800 -0.106 0.000 2.577 920 G HA2 0.025 3.985 3.960 -0.000 0.000 0.290 920 G HA3 0.025 3.985 3.960 -0.000 0.000 0.290 920 G C 0.326 175.188 174.900 -0.063 0.000 0.703 920 G CA 0.083 45.132 45.100 -0.084 0.000 2.032 920 G HN 0.471 nan 8.290 nan 0.000 0.508 921 L N 0.502 121.680 121.223 -0.075 0.000 2.535 921 L HA 0.871 5.211 4.340 -0.000 0.000 0.259 921 L C 0.486 177.296 176.870 -0.101 0.000 1.263 921 L CA -0.935 53.862 54.840 -0.071 0.000 1.282 921 L CB 1.809 43.822 42.059 -0.076 0.000 1.901 921 L HN 0.386 nan 8.230 nan 0.000 0.572 922 T N -1.508 112.977 114.554 -0.115 0.000 2.775 922 T HA 0.148 4.498 4.350 -0.000 0.000 0.320 922 T C -1.396 173.252 174.700 -0.087 0.000 1.597 922 T CA -0.666 61.365 62.100 -0.116 0.000 1.022 922 T CB 1.330 70.169 68.868 -0.048 0.000 1.485 922 T HN 0.561 nan 8.240 nan 0.000 0.494 923 N N 2.210 120.888 118.700 -0.038 0.000 2.498 923 N HA 0.239 4.978 4.740 -0.000 0.000 0.277 923 N C -0.016 175.592 175.510 0.164 0.000 1.208 923 N CA -0.017 53.149 53.050 0.194 0.000 1.029 923 N CB 0.133 38.688 38.487 0.114 0.000 1.403 923 N HN 0.594 nan 8.380 nan 0.000 0.500 924 D N 0.382 120.901 120.400 0.199 0.000 2.489 924 D HA 0.095 4.735 4.640 -0.000 0.000 0.232 924 D C 1.024 177.399 176.300 0.126 0.000 1.230 924 D CA -0.587 53.486 54.000 0.122 0.000 1.101 924 D CB -0.095 40.739 40.800 0.057 0.000 1.198 924 D HN 0.050 nan 8.370 nan 0.000 0.611 925 V N -1.278 118.580 119.914 -0.093 0.000 2.346 925 V HA -0.141 3.979 4.120 -0.000 0.000 0.244 925 V C 2.107 178.186 176.094 -0.025 0.000 1.037 925 V CA 1.274 63.476 62.300 -0.164 0.000 1.029 925 V CB -0.801 30.638 31.823 -0.640 0.000 0.663 925 V HN 0.441 nan 8.190 nan 0.000 0.454 926 Y N -1.518 118.860 120.300 0.129 0.000 2.333 926 Y HA -0.235 4.315 4.550 -0.000 0.000 0.290 926 Y C 2.226 178.263 175.900 0.229 0.000 1.144 926 Y CA 1.808 60.011 58.100 0.173 0.000 1.228 926 Y CB -0.299 38.269 38.460 0.180 0.000 0.985 926 Y HN 0.316 nan 8.280 nan 0.000 0.542 927 F N 1.060 121.142 119.950 0.220 0.000 2.234 927 F HA -0.126 4.401 4.527 -0.000 0.000 0.296 927 F C 2.293 178.189 175.800 0.160 0.000 1.089 927 F CA 1.258 59.357 58.000 0.165 0.000 1.343 927 F CB -0.532 38.540 39.000 0.120 0.000 1.040 927 F HN -0.042 nan 8.300 nan 0.000 0.498 928 Q N -0.141 119.703 119.800 0.074 0.000 2.226 928 Q HA -0.099 4.241 4.340 -0.000 0.000 0.204 928 Q C 1.761 177.728 176.000 -0.055 0.000 0.975 928 Q CA 1.868 57.664 55.803 -0.012 0.000 0.866 928 Q CB -0.076 28.760 28.738 0.163 0.000 0.915 928 Q HN 0.357 nan 8.270 nan 0.000 0.440 929 V N -1.593 118.338 119.914 0.028 0.000 3.307 929 V HA 0.139 4.258 4.120 -0.000 0.000 0.253 929 V C 1.943 178.063 176.094 0.043 0.000 1.149 929 V CA 1.049 63.341 62.300 -0.013 0.000 1.112 929 V CB -0.090 31.763 31.823 0.050 0.000 0.777 929 V HN 0.418 nan 8.190 nan 0.000 0.464 930 G N 0.205 109.055 108.800 0.084 0.000 2.443 930 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.219 930 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.219 930 G C 1.496 176.407 174.900 0.019 0.000 1.131 930 G CA 0.537 45.701 45.100 0.107 0.000 0.775 930 G HN 0.405 nan 8.290 nan 0.000 0.547 931 L N -0.382 120.770 121.223 -0.118 0.000 2.005 931 L HA 0.014 4.354 4.340 -0.000 0.000 0.207 931 L C 2.908 179.765 176.870 -0.020 0.000 1.072 931 L CA 0.819 55.583 54.840 -0.125 0.000 0.744 931 L CB -0.510 41.431 42.059 -0.195 0.000 0.895 931 L HN 0.211 nan 8.230 nan 0.000 0.433 932 L N -0.749 120.448 121.223 -0.042 0.000 2.079 932 L HA -0.221 4.118 4.340 -0.000 0.000 0.210 932 L C 2.588 179.602 176.870 0.239 0.000 1.081 932 L CA 1.502 56.339 54.840 -0.005 0.000 0.752 932 L CB -0.815 41.071 42.059 -0.288 0.000 0.896 932 L HN 0.210 nan 8.230 nan 0.000 0.433 933 T N -1.751 112.977 114.554 0.290 0.000 2.788 933 T HA -0.201 4.148 4.350 -0.000 0.000 0.268 933 T C 1.975 176.721 174.700 0.076 0.000 1.044 933 T CA 1.854 64.108 62.100 0.256 0.000 1.139 933 T CB -0.126 68.902 68.868 0.267 0.000 0.867 933 T HN 0.310 nan 8.240 nan 0.000 0.454 934 T N 1.166 115.745 114.554 0.042 0.000 2.821 934 T HA 0.010 4.359 4.350 -0.000 0.000 0.267 934 T C 1.792 176.477 174.700 -0.024 0.000 1.046 934 T CA 0.787 62.871 62.100 -0.027 0.000 1.139 934 T CB -0.285 68.578 68.868 -0.009 0.000 0.871 934 T HN 0.272 nan 8.240 nan 0.000 0.454 935 I N 0.667 121.245 120.570 0.014 0.000 2.439 935 I HA 0.045 4.215 4.170 -0.000 0.000 0.251 935 I C 2.616 178.732 176.117 -0.001 0.000 1.139 935 I CA 1.015 62.324 61.300 0.014 0.000 1.438 935 I CB -0.340 37.682 38.000 0.037 0.000 1.085 935 I HN 0.255 nan 8.210 nan 0.000 0.427 936 G N 0.235 109.038 108.800 0.006 0.000 2.448 936 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.218 936 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.218 936 G C 1.599 176.456 174.900 -0.073 0.000 1.135 936 G CA 0.314 45.392 45.100 -0.036 0.000 0.784 936 G HN 0.306 nan 8.290 nan 0.000 0.543 937 L N 0.442 121.609 121.223 -0.093 0.000 2.477 937 L HA 0.136 4.476 4.340 -0.000 0.000 0.220 937 L C 2.763 179.563 176.870 -0.117 0.000 1.106 937 L CA 0.191 54.945 54.840 -0.144 0.000 0.851 937 L CB 0.226 42.123 42.059 -0.270 0.000 0.994 937 L HN 0.129 nan 8.230 nan 0.000 0.462 938 S N 0.148 115.799 115.700 -0.081 0.000 2.356 938 S HA 0.003 4.472 4.470 -0.000 0.000 0.219 938 S C 2.287 176.855 174.600 -0.052 0.000 1.036 938 S CA 0.804 58.969 58.200 -0.058 0.000 0.965 938 S CB -0.148 63.033 63.200 -0.032 0.000 0.864 938 S HN 0.411 nan 8.310 nan 0.000 0.471 939 A N 2.425 125.217 122.820 -0.047 0.000 1.909 939 A HA -0.300 4.020 4.320 -0.000 0.000 0.221 939 A C 1.749 179.298 177.584 -0.058 0.000 1.223 939 A CA 2.303 54.309 52.037 -0.053 0.000 0.658 939 A CB -0.855 18.117 19.000 -0.047 0.000 0.831 939 A HN 0.379 nan 8.150 nan 0.000 0.462 940 K N -0.786 119.578 120.400 -0.060 0.000 2.464 940 K HA -0.173 4.147 4.320 -0.000 0.000 0.216 940 K C 1.433 178.004 176.600 -0.048 0.000 0.730 940 K CA 1.522 57.776 56.287 -0.055 0.000 0.899 940 K CB -0.585 31.876 32.500 -0.065 0.000 0.541 940 K HN 0.429 nan 8.250 nan 0.000 0.956 941 N N -0.739 117.936 118.700 -0.041 0.000 1.272 941 N HA -0.394 4.346 4.740 -0.000 0.000 0.105 941 N C 1.429 176.918 175.510 -0.035 0.000 0.296 941 N CA 3.001 56.033 53.050 -0.030 0.000 0.854 941 N CB -1.556 36.901 38.487 -0.050 0.000 0.580 941 N HN 0.526 nan 8.380 nan 0.000 1.405 942 A N 0.514 123.300 122.820 -0.057 0.000 1.841 942 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 942 A C 2.483 180.030 177.584 -0.061 0.000 1.199 942 A CA 2.091 54.085 52.037 -0.072 0.000 0.621 942 A CB -1.016 17.943 19.000 -0.067 0.000 0.835 942 A HN 0.389 nan 8.150 nan 0.000 0.445 943 I N 0.179 120.712 120.570 -0.062 0.000 2.229 943 I HA -0.354 3.816 4.170 -0.000 0.000 0.250 943 I C 2.348 178.427 176.117 -0.064 0.000 1.096 943 I CA 1.549 62.820 61.300 -0.048 0.000 1.358 943 I CB -0.362 37.622 38.000 -0.027 0.000 1.047 943 I HN 0.382 nan 8.210 nan 0.000 0.422 944 L N -0.092 121.085 121.223 -0.076 0.000 2.017 944 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 944 L C 2.510 179.393 176.870 0.023 0.000 1.073 944 L CA 1.330 56.096 54.840 -0.124 0.000 0.745 944 L CB -0.776 41.322 42.059 0.065 0.000 0.894 944 L HN 0.226 nan 8.230 nan 0.000 0.432 945 I N -0.272 120.343 120.570 0.074 0.000 2.264 945 I HA -0.243 3.927 4.170 -0.000 0.000 0.248 945 I C 2.498 178.682 176.117 0.111 0.000 1.111 945 I CA 1.234 62.599 61.300 0.110 0.000 1.382 945 I CB -0.396 37.559 38.000 -0.074 0.000 1.060 945 I HN 0.116 nan 8.210 nan 0.000 0.418 946 V N 0.667 120.608 119.914 0.046 0.000 2.273 946 V HA -0.222 3.898 4.120 -0.000 0.000 0.242 946 V C 2.511 178.649 176.094 0.073 0.000 1.035 946 V CA 1.860 64.201 62.300 0.069 0.000 1.013 946 V CB -0.548 31.296 31.823 0.035 0.000 0.652 946 V HN 0.317 nan 8.190 nan 0.000 0.452 947 E N 0.648 120.846 120.200 -0.004 0.000 2.068 947 E HA -0.280 4.070 4.350 -0.000 0.000 0.207 947 E C 1.887 178.430 176.600 -0.094 0.000 1.032 947 E CA 2.364 58.687 56.400 -0.128 0.000 0.839 947 E CB -0.597 28.876 29.700 -0.379 0.000 0.758 947 E HN 0.590 nan 8.360 nan 0.000 0.457 948 F N -0.264 119.726 119.950 0.066 0.000 2.146 948 F HA -0.036 4.491 4.527 -0.000 0.000 0.298 948 F C 2.396 178.240 175.800 0.073 0.000 1.096 948 F CA 0.597 58.634 58.000 0.062 0.000 1.275 948 F CB -0.310 38.732 39.000 0.069 0.000 1.008 948 F HN 0.161 nan 8.300 nan 0.000 0.480 949 A N -0.777 122.207 122.820 0.273 0.000 2.067 949 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 949 A C 1.825 179.508 177.584 0.165 0.000 1.156 949 A CA 1.178 53.343 52.037 0.213 0.000 0.683 949 A CB -0.254 18.884 19.000 0.229 0.000 0.808 949 A HN 0.117 nan 8.150 nan 0.000 0.455 950 K N -0.277 120.202 120.400 0.131 0.000 2.354 950 K HA 0.121 4.441 4.320 -0.000 0.000 0.194 950 K C 0.972 177.606 176.600 0.058 0.000 1.038 950 K CA 0.406 56.745 56.287 0.086 0.000 1.052 950 K CB 0.088 32.630 32.500 0.070 0.000 0.861 950 K HN 0.295 nan 8.250 nan 0.000 0.535 951 D N 0.532 120.975 120.400 0.071 0.000 2.097 951 D HA -0.093 4.547 4.640 -0.000 0.000 0.197 951 D C 1.691 178.033 176.300 0.070 0.000 0.984 951 D CA 1.017 55.053 54.000 0.061 0.000 0.826 951 D CB 0.119 40.977 40.800 0.098 0.000 0.973 951 D HN 0.098 nan 8.370 nan 0.000 0.460 952 L N 0.172 121.454 121.223 0.097 0.000 2.056 952 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 952 L C 2.608 179.521 176.870 0.071 0.000 1.078 952 L CA 0.730 55.620 54.840 0.083 0.000 0.749 952 L CB -0.324 41.793 42.059 0.096 0.000 0.901 952 L HN 0.020 nan 8.230 nan 0.000 0.433 953 M N -0.435 119.214 119.600 0.083 0.000 2.149 953 M HA -0.220 4.260 4.480 -0.000 0.000 0.261 953 M C 1.207 177.532 176.300 0.042 0.000 1.064 953 M CA 1.740 57.087 55.300 0.077 0.000 1.102 953 M CB -0.019 32.630 32.600 0.081 0.000 1.369 953 M HN 0.231 nan 8.290 nan 0.000 0.408 954 D N -0.101 120.315 120.400 0.027 0.000 2.384 954 D HA -0.037 4.602 4.640 -0.000 0.000 0.268 954 D C 1.564 177.873 176.300 0.014 0.000 1.288 954 D CA 1.108 55.114 54.000 0.010 0.000 1.013 954 D CB -0.767 40.030 40.800 -0.006 0.000 0.919 954 D HN 0.279 nan 8.370 nan 0.000 0.270 955 K N 1.071 121.478 120.400 0.011 0.000 2.117 955 K HA -0.239 4.081 4.320 -0.000 0.000 0.215 955 K C 1.511 178.122 176.600 0.017 0.000 1.053 955 K CA 1.435 57.728 56.287 0.011 0.000 0.935 955 K CB -0.368 32.139 32.500 0.012 0.000 0.719 955 K HN 0.297 nan 8.250 nan 0.000 0.460 956 E N 0.793 121.009 120.200 0.027 0.000 3.262 956 E HA 0.157 4.507 4.350 -0.000 0.000 0.485 956 E C 0.863 177.479 176.600 0.027 0.000 0.288 956 E CA 0.414 56.830 56.400 0.027 0.000 2.824 956 E CB -0.041 29.679 29.700 0.035 0.000 2.232 956 E HN 0.386 nan 8.360 nan 0.000 0.424 957 G N -0.155 108.665 108.800 0.034 0.000 2.533 957 G HA2 0.277 4.237 3.960 -0.000 0.000 0.304 957 G HA3 0.277 4.237 3.960 -0.000 0.000 0.304 957 G C 0.147 175.078 174.900 0.051 0.000 1.263 957 G CA -0.280 44.841 45.100 0.035 0.000 0.964 957 G HN 0.195 nan 8.290 nan 0.000 0.479 958 K N 0.698 121.131 120.400 0.055 0.000 2.001 958 K HA -0.003 4.316 4.320 -0.000 0.000 0.223 958 K C 1.535 178.202 176.600 0.112 0.000 1.055 958 K CA 2.172 58.512 56.287 0.087 0.000 0.965 958 K CB -0.782 31.770 32.500 0.086 0.000 0.730 958 K HN 1.743 nan 8.250 nan 0.000 0.449 959 G N 0.929 109.773 108.800 0.073 0.000 2.374 959 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.289 959 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.289 959 G C 0.392 175.325 174.900 0.054 0.000 1.004 959 G CA 0.523 45.652 45.100 0.048 0.000 1.292 959 G HN 0.413 nan 8.290 nan 0.000 0.502 960 L N 0.239 121.477 121.223 0.025 0.000 2.010 960 L HA -0.161 4.179 4.340 -0.000 0.000 0.219 960 L C 2.636 179.241 176.870 -0.441 0.000 1.077 960 L CA 2.922 57.706 54.840 -0.094 0.000 0.773 960 L CB -0.010 41.994 42.059 -0.092 0.000 0.892 960 L HN 0.870 nan 8.230 nan 0.000 0.436 961 I N -5.351 115.051 120.570 -0.280 0.000 4.240 961 I HA 0.156 4.326 4.170 -0.000 0.000 0.331 961 I C 0.767 176.785 176.117 -0.164 0.000 1.381 961 I CA -0.116 61.018 61.300 -0.277 0.000 1.136 961 I CB 0.269 38.094 38.000 -0.292 0.000 1.137 961 I HN 0.007 nan 8.210 nan 0.000 0.411 962 E N 1.736 121.874 120.200 -0.104 0.000 2.419 962 E HA 0.364 4.714 4.350 -0.000 0.000 0.190 962 E C 1.437 178.022 176.600 -0.024 0.000 1.040 962 E CA 0.537 56.894 56.400 -0.071 0.000 0.900 962 E CB 0.839 30.504 29.700 -0.058 0.000 1.054 962 E HN 0.638 nan 8.360 nan 0.000 0.462 963 A N 0.029 122.854 122.820 0.007 0.000 1.988 963 A HA -0.030 4.290 4.320 -0.000 0.000 0.201 963 A C 2.238 179.871 177.584 0.082 0.000 1.410 963 A CA 0.837 52.910 52.037 0.060 0.000 0.832 963 A CB -0.691 18.374 19.000 0.110 0.000 0.981 963 A HN 0.321 nan 8.150 nan 0.000 0.492 964 T N -0.457 114.151 114.554 0.090 0.000 2.699 964 T HA -0.217 4.133 4.350 -0.000 0.000 0.268 964 T C 1.860 176.584 174.700 0.040 0.000 1.036 964 T CA 1.716 63.900 62.100 0.140 0.000 1.147 964 T CB -0.629 68.320 68.868 0.135 0.000 0.862 964 T HN 0.261 nan 8.240 nan 0.000 0.446 965 L N 0.978 122.137 121.223 -0.108 0.000 2.044 965 L HA 0.005 4.345 4.340 -0.000 0.000 0.205 965 L C 2.438 179.244 176.870 -0.108 0.000 1.075 965 L CA 2.014 56.723 54.840 -0.219 0.000 0.747 965 L CB -0.467 41.450 42.059 -0.237 0.000 0.903 965 L HN 0.168 nan 8.230 nan 0.000 0.435 966 D N -0.439 119.935 120.400 -0.043 0.000 2.350 966 D HA -0.122 4.518 4.640 -0.000 0.000 0.216 966 D C 1.890 178.209 176.300 0.031 0.000 0.968 966 D CA 1.028 55.023 54.000 -0.008 0.000 0.894 966 D CB 0.314 41.115 40.800 0.002 0.000 0.909 966 D HN 0.470 nan 8.370 nan 0.000 0.520 967 A N -0.509 122.360 122.820 0.082 0.000 1.903 967 A HA 0.012 4.332 4.320 -0.000 0.000 0.213 967 A C 2.209 179.886 177.584 0.156 0.000 1.185 967 A CA 0.842 52.962 52.037 0.140 0.000 0.628 967 A CB -0.524 18.619 19.000 0.239 0.000 0.830 967 A HN 0.192 nan 8.150 nan 0.000 0.446 968 V N 0.093 120.141 119.914 0.223 0.000 3.306 968 V HA -0.044 4.076 4.120 -0.000 0.000 0.264 968 V C 2.325 178.535 176.094 0.194 0.000 1.149 968 V CA 1.181 63.655 62.300 0.290 0.000 1.143 968 V CB -0.777 31.380 31.823 0.556 0.000 0.767 968 V HN 0.552 nan 8.190 nan 0.000 0.476 969 R N 1.140 121.688 120.500 0.081 0.000 2.159 969 R HA -0.084 4.256 4.340 -0.000 0.000 0.237 969 R C 1.003 177.331 176.300 0.046 0.000 1.131 969 R CA 1.621 57.751 56.100 0.051 0.000 0.982 969 R CB -0.147 30.157 30.300 0.006 0.000 0.868 969 R HN 0.684 nan 8.270 nan 0.000 0.453 970 M N -0.353 119.258 119.600 0.019 0.000 2.746 970 M HA 0.392 4.872 4.480 -0.000 0.000 0.209 970 M C -0.647 175.595 176.300 -0.097 0.000 1.077 970 M CA -0.622 54.654 55.300 -0.041 0.000 0.695 970 M CB 1.314 33.867 32.600 -0.078 0.000 1.416 970 M HN -0.091 nan 8.290 nan 0.000 0.459 971 R N -0.176 120.319 120.500 -0.008 0.000 2.583 971 R HA 0.028 4.368 4.340 -0.000 0.000 0.051 971 R C -0.202 176.150 176.300 0.087 0.000 0.501 971 R CA -0.231 55.872 56.100 0.005 0.000 0.740 971 R CB -2.148 28.128 30.300 -0.040 0.000 0.857 971 R HN 0.603 nan 8.270 nan 0.000 0.591 972 L N 0.313 121.595 121.223 0.098 0.000 2.275 972 L HA 0.212 4.551 4.340 -0.000 0.000 0.215 972 L C 1.776 178.671 176.870 0.040 0.000 1.119 972 L CA 1.716 56.596 54.840 0.067 0.000 0.790 972 L CB -0.453 41.623 42.059 0.029 0.000 0.919 972 L HN 0.530 nan 8.230 nan 0.000 0.443 973 R N 0.765 121.294 120.500 0.049 0.000 2.103 973 R HA -0.133 4.206 4.340 -0.000 0.000 0.234 973 R C -0.315 176.022 176.300 0.062 0.000 1.132 973 R CA 2.459 58.620 56.100 0.102 0.000 0.925 973 R CB -1.256 29.091 30.300 0.078 0.000 0.842 973 R HN 0.375 nan 8.270 nan 0.000 0.430 974 P HA -0.130 nan 4.420 nan 0.000 0.221 974 P C 1.433 178.717 177.300 -0.026 0.000 1.150 974 P CA 1.363 64.463 63.100 -0.000 0.000 0.800 974 P CB -0.119 31.609 31.700 0.046 0.000 0.787 975 I N -0.721 119.847 120.570 -0.003 0.000 2.163 975 I HA -0.166 4.003 4.170 -0.000 0.000 0.240 975 I C 2.229 178.308 176.117 -0.064 0.000 1.081 975 I CA 1.219 62.505 61.300 -0.025 0.000 1.353 975 I CB -0.506 37.494 38.000 -0.001 0.000 1.054 975 I HN -0.112 nan 8.210 nan 0.000 0.407 976 L N -0.133 121.056 121.223 -0.057 0.000 2.645 976 L HA 0.035 4.375 4.340 -0.000 0.000 0.235 976 L C 1.725 178.470 176.870 -0.208 0.000 1.150 976 L CA 0.399 55.196 54.840 -0.071 0.000 0.911 976 L CB 0.072 42.129 42.059 -0.003 0.000 1.077 976 L HN 0.254 nan 8.230 nan 0.000 0.438 977 M N -2.836 116.572 119.600 -0.320 0.000 2.925 977 M HA -0.009 4.471 4.480 -0.000 0.000 0.249 977 M C 1.829 177.927 176.300 -0.337 0.000 1.439 977 M CA 0.809 55.733 55.300 -0.627 0.000 1.217 977 M CB 0.345 32.573 32.600 -0.619 0.000 1.245 977 M HN 0.029 nan 8.290 nan 0.000 0.552 978 T N -0.178 114.266 114.554 -0.183 0.000 2.639 978 T HA -0.135 4.215 4.350 -0.000 0.000 0.261 978 T C 1.735 176.414 174.700 -0.034 0.000 1.053 978 T CA 2.001 64.052 62.100 -0.083 0.000 1.158 978 T CB -0.441 68.399 68.868 -0.047 0.000 0.863 978 T HN 0.449 nan 8.240 nan 0.000 0.413 979 S N 0.636 116.301 115.700 -0.058 0.000 2.407 979 S HA -0.133 4.337 4.470 -0.000 0.000 0.235 979 S C 1.989 176.593 174.600 0.006 0.000 1.036 979 S CA 1.210 59.385 58.200 -0.042 0.000 1.013 979 S CB -0.489 62.659 63.200 -0.087 0.000 0.820 979 S HN 0.335 nan 8.310 nan 0.000 0.476 980 L N 1.241 122.432 121.223 -0.054 0.000 2.044 980 L HA 0.174 4.514 4.340 -0.000 0.000 0.205 980 L C 2.548 179.402 176.870 -0.028 0.000 1.075 980 L CA 1.777 56.587 54.840 -0.050 0.000 0.747 980 L CB -0.893 41.102 42.059 -0.106 0.000 0.903 980 L HN 0.309 nan 8.230 nan 0.000 0.435 981 A N -1.002 121.785 122.820 -0.056 0.000 1.978 981 A HA -0.281 4.039 4.320 -0.000 0.000 0.220 981 A C 2.229 179.821 177.584 0.013 0.000 1.170 981 A CA 1.972 53.987 52.037 -0.037 0.000 0.636 981 A CB -1.098 17.865 19.000 -0.063 0.000 0.810 981 A HN 0.583 nan 8.150 nan 0.000 0.448 982 F N 0.203 120.104 119.950 -0.080 0.000 2.128 982 F HA -0.027 4.500 4.527 -0.000 0.000 0.295 982 F C 1.982 177.747 175.800 -0.059 0.000 1.100 982 F CA 1.521 59.481 58.000 -0.065 0.000 1.260 982 F CB -0.076 38.888 39.000 -0.060 0.000 1.009 982 F HN 0.138 nan 8.300 nan 0.000 0.476 983 I N 0.138 120.859 120.570 0.252 0.000 2.361 983 I HA -0.295 3.875 4.170 -0.000 0.000 0.251 983 I C 2.098 178.215 176.117 0.000 0.000 1.133 983 I CA 1.171 62.557 61.300 0.144 0.000 1.413 983 I CB -0.397 37.666 38.000 0.105 0.000 1.073 983 I HN 0.247 nan 8.210 nan 0.000 0.424 984 L N -0.006 121.200 121.223 -0.027 0.000 2.179 984 L HA -0.009 4.331 4.340 -0.000 0.000 0.208 984 L C 2.562 179.373 176.870 -0.098 0.000 1.096 984 L CA 1.091 55.899 54.840 -0.054 0.000 0.779 984 L CB -0.651 41.385 42.059 -0.039 0.000 0.922 984 L HN 0.235 nan 8.230 nan 0.000 0.443 985 G N -0.921 107.789 108.800 -0.151 0.000 2.421 985 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.217 985 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.217 985 G C 1.482 176.227 174.900 -0.257 0.000 1.143 985 G CA 0.537 45.512 45.100 -0.207 0.000 0.784 985 G HN 0.185 nan 8.290 nan 0.000 0.541 986 V N 0.562 120.300 119.914 -0.293 0.000 2.871 986 V HA -0.053 4.067 4.120 -0.000 0.000 0.256 986 V C 2.564 178.566 176.094 -0.155 0.000 1.082 986 V CA 1.512 63.659 62.300 -0.254 0.000 1.105 986 V CB -0.024 31.663 31.823 -0.227 0.000 0.713 986 V HN 0.344 nan 8.190 nan 0.000 0.473 987 M N 1.590 121.120 119.600 -0.116 0.000 2.082 987 M HA -0.099 4.380 4.480 -0.000 0.000 0.258 987 M C -0.315 175.930 176.300 -0.091 0.000 1.069 987 M CA 2.288 57.540 55.300 -0.081 0.000 1.102 987 M CB -1.404 31.159 32.600 -0.062 0.000 1.336 987 M HN 0.222 nan 8.290 nan 0.000 0.404 988 P HA -0.124 nan 4.420 nan 0.000 0.225 988 P C 1.272 178.490 177.300 -0.135 0.000 1.148 988 P CA 1.305 64.336 63.100 -0.114 0.000 0.779 988 P CB -0.315 31.310 31.700 -0.124 0.000 0.780 989 L N -1.687 119.441 121.223 -0.158 0.000 2.298 989 L HA 0.002 4.342 4.340 -0.000 0.000 0.209 989 L C 2.577 179.369 176.870 -0.129 0.000 1.084 989 L CA 0.636 55.365 54.840 -0.185 0.000 0.816 989 L CB -1.004 40.898 42.059 -0.262 0.000 0.967 989 L HN -0.187 nan 8.230 nan 0.000 0.460 990 V N 1.155 121.013 119.914 -0.095 0.000 2.244 990 V HA -0.119 4.001 4.120 -0.000 0.000 0.244 990 V C 1.545 177.613 176.094 -0.043 0.000 1.042 990 V CA 1.508 63.776 62.300 -0.054 0.000 1.006 990 V CB -0.378 31.427 31.823 -0.029 0.000 0.641 990 V HN 0.327 nan 8.190 nan 0.000 0.446 991 I N -3.723 116.820 120.570 -0.044 0.000 3.869 991 I HA 0.629 4.798 4.170 -0.000 0.000 0.260 991 I C 1.183 177.267 176.117 -0.055 0.000 1.160 991 I CA 0.056 61.333 61.300 -0.039 0.000 1.248 991 I CB 1.230 39.217 38.000 -0.023 0.000 1.393 991 I HN 0.303 nan 8.210 nan 0.000 0.473 992 S N -0.349 115.322 115.700 -0.047 0.000 1.764 992 S HA -0.198 4.272 4.470 -0.000 0.000 0.248 992 S C 0.702 175.263 174.600 -0.066 0.000 0.823 992 S CA 1.342 59.509 58.200 -0.055 0.000 1.642 992 S CB -2.448 60.713 63.200 -0.066 0.000 1.142 992 S HN 1.136 nan 8.310 nan 0.000 0.495 993 T N 0.831 115.333 114.554 -0.086 0.000 2.780 993 T HA 0.606 4.955 4.350 -0.000 0.000 0.294 993 T C 0.442 175.093 174.700 -0.081 0.000 0.949 993 T CA 0.175 62.214 62.100 -0.102 0.000 1.074 993 T CB 1.613 70.398 68.868 -0.138 0.000 0.910 993 T HN 1.212 nan 8.240 nan 0.000 0.501 994 G N 0.339 109.098 108.800 -0.068 0.000 5.077 994 G HA2 0.587 4.547 3.960 -0.000 0.000 0.230 994 G HA3 0.587 4.547 3.960 -0.000 0.000 0.230 994 G C 0.330 175.220 174.900 -0.017 0.000 0.924 994 G CA -0.057 45.021 45.100 -0.037 0.000 0.770 994 G HN 1.170 nan 8.290 nan 0.000 0.512 995 A N -1.284 121.504 122.820 -0.054 0.000 2.076 995 A HA 0.361 4.680 4.320 -0.000 0.000 0.163 995 A C 2.019 179.456 177.584 -0.246 0.000 2.134 995 A CA 1.329 53.355 52.037 -0.019 0.000 1.550 995 A CB -0.906 18.158 19.000 0.107 0.000 1.518 995 A HN 0.990 nan 8.150 nan 0.000 0.301 996 G N 0.742 109.294 108.800 -0.414 0.000 2.459 996 G HA2 0.157 4.117 3.960 -0.000 0.000 0.217 996 G HA3 0.157 4.117 3.960 -0.000 0.000 0.217 996 G C 0.836 175.367 174.900 -0.615 0.000 1.183 996 G CA 2.048 46.695 45.100 -0.756 0.000 0.776 996 G HN 1.855 nan 8.290 nan 0.000 0.552 997 S N -1.215 114.291 115.700 -0.323 0.000 2.737 997 S HA 0.508 4.978 4.470 -0.000 0.000 0.269 997 S C 0.771 175.339 174.600 -0.054 0.000 1.150 997 S CA 0.375 58.475 58.200 -0.167 0.000 1.077 997 S CB 1.348 64.448 63.200 -0.166 0.000 1.075 997 S HN 0.522 nan 8.310 nan 0.000 0.476 998 G N 2.222 111.025 108.800 0.004 0.000 2.708 998 G HA2 0.217 4.176 3.960 -0.000 0.000 0.210 998 G HA3 0.217 4.176 3.960 -0.000 0.000 0.210 998 G C 1.238 176.150 174.900 0.020 0.000 1.141 998 G CA 0.486 45.596 45.100 0.018 0.000 0.788 998 G HN 1.128 nan 8.290 nan 0.000 0.531 999 A N 0.355 123.192 122.820 0.028 0.000 1.968 999 A HA -0.015 4.305 4.320 -0.000 0.000 0.217 999 A C 2.222 179.758 177.584 -0.081 0.000 1.169 999 A CA 1.513 53.503 52.037 -0.079 0.000 0.638 999 A CB -0.275 18.616 19.000 -0.182 0.000 0.812 999 A HN 0.420 nan 8.150 nan 0.000 0.446 1000 Q N -0.105 119.698 119.800 0.005 0.000 2.152 1000 Q HA -0.244 4.096 4.340 -0.000 0.000 0.206 1000 Q C 1.778 177.663 176.000 -0.192 0.000 0.985 1000 Q CA 1.966 57.618 55.803 -0.251 0.000 0.863 1000 Q CB -0.312 28.294 28.738 -0.221 0.000 0.904 1000 Q HN 0.845 nan 8.270 nan 0.000 0.422 1001 N N 0.131 118.771 118.700 -0.100 0.000 2.188 1001 N HA -0.122 4.618 4.740 -0.000 0.000 0.184 1001 N C 1.656 177.151 175.510 -0.025 0.000 1.018 1001 N CA 0.989 54.005 53.050 -0.057 0.000 0.858 1001 N CB -0.135 38.336 38.487 -0.027 0.000 0.989 1001 N HN 0.205 nan 8.380 nan 0.000 0.426 1002 A N 0.506 123.319 122.820 -0.013 0.000 1.972 1002 A HA -0.068 4.252 4.320 -0.000 0.000 0.219 1002 A C 2.250 179.912 177.584 0.129 0.000 1.169 1002 A CA 1.109 53.197 52.037 0.086 0.000 0.635 1002 A CB -0.517 18.606 19.000 0.206 0.000 0.810 1002 A HN 0.104 nan 8.150 nan 0.000 0.446 1003 V N -0.588 119.326 119.914 -0.001 0.000 2.283 1003 V HA -0.042 4.078 4.120 -0.000 0.000 0.239 1003 V C 2.833 178.957 176.094 0.049 0.000 1.035 1003 V CA 1.779 64.105 62.300 0.043 0.000 1.018 1003 V CB -1.474 30.260 31.823 -0.148 0.000 0.658 1003 V HN 0.533 nan 8.190 nan 0.000 0.459 1004 G N -0.521 108.252 108.800 -0.045 0.000 2.448 1004 G HA2 -0.213 3.746 3.960 -0.000 0.000 0.219 1004 G HA3 -0.213 3.746 3.960 -0.000 0.000 0.219 1004 G C 1.641 176.569 174.900 0.046 0.000 1.127 1004 G CA 1.511 46.598 45.100 -0.022 0.000 0.766 1004 G HN 0.462 nan 8.290 nan 0.000 0.552 1005 T N 0.649 115.235 114.554 0.053 0.000 2.833 1005 T HA 0.009 4.359 4.350 -0.000 0.000 0.269 1005 T C 2.077 176.854 174.700 0.128 0.000 1.054 1005 T CA 1.206 63.348 62.100 0.070 0.000 1.135 1005 T CB -0.131 68.763 68.868 0.043 0.000 0.869 1005 T HN 0.322 nan 8.240 nan 0.000 0.466 1006 G N 0.478 109.408 108.800 0.218 0.000 3.518 1006 G HA2 0.359 4.319 3.960 -0.000 0.000 0.273 1006 G HA3 0.359 4.319 3.960 -0.000 0.000 0.273 1006 G C 0.906 175.987 174.900 0.302 0.000 1.199 1006 G CA 0.158 45.493 45.100 0.392 0.000 0.899 1006 G HN 0.489 nan 8.290 nan 0.000 0.533 1007 V N -3.854 116.189 119.914 0.215 0.000 3.110 1007 V HA 0.268 4.388 4.120 -0.000 0.000 0.233 1007 V C 2.217 178.427 176.094 0.195 0.000 1.550 1007 V CA 0.297 62.722 62.300 0.209 0.000 1.186 1007 V CB -0.541 31.461 31.823 0.298 0.000 1.052 1007 V HN 0.207 nan 8.190 nan 0.000 0.452 1008 M N 1.858 121.560 119.600 0.170 0.000 2.108 1008 M HA -0.073 4.407 4.480 -0.000 0.000 0.261 1008 M C 2.062 178.410 176.300 0.079 0.000 1.066 1008 M CA 2.589 57.960 55.300 0.119 0.000 1.107 1008 M CB -0.419 32.225 32.600 0.074 0.000 1.356 1008 M HN 0.593 nan 8.290 nan 0.000 0.406 1009 G N -1.172 107.680 108.800 0.085 0.000 2.418 1009 G HA2 -0.157 3.802 3.960 -0.000 0.000 0.217 1009 G HA3 -0.157 3.802 3.960 -0.000 0.000 0.217 1009 G C 1.357 176.294 174.900 0.061 0.000 1.158 1009 G CA 0.892 46.030 45.100 0.064 0.000 0.771 1009 G HN 0.597 nan 8.290 nan 0.000 0.545 1010 G N -0.090 108.762 108.800 0.087 0.000 2.464 1010 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.217 1010 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.217 1010 G C 1.747 176.650 174.900 0.004 0.000 1.138 1010 G CA 0.568 45.703 45.100 0.058 0.000 0.793 1010 G HN 0.266 nan 8.290 nan 0.000 0.539 1011 M N 0.365 119.960 119.600 -0.009 0.000 2.388 1011 M HA 0.111 4.591 4.480 -0.000 0.000 0.265 1011 M C 2.655 178.931 176.300 -0.041 0.000 1.088 1011 M CA 0.441 55.700 55.300 -0.068 0.000 1.134 1011 M CB -0.319 32.228 32.600 -0.088 0.000 1.384 1011 M HN 0.095 nan 8.290 nan 0.000 0.447 1012 V N 0.494 120.400 119.914 -0.013 0.000 2.332 1012 V HA -0.245 3.874 4.120 -0.000 0.000 0.248 1012 V C 1.770 177.851 176.094 -0.022 0.000 1.055 1012 V CA 2.015 64.302 62.300 -0.022 0.000 1.038 1012 V CB -0.777 31.035 31.823 -0.018 0.000 0.651 1012 V HN 0.441 nan 8.190 nan 0.000 0.450 1013 T N -0.818 113.731 114.554 -0.009 0.000 3.163 1013 T HA 0.372 4.721 4.350 -0.000 0.000 0.252 1013 T C 1.265 175.969 174.700 0.007 0.000 1.056 1013 T CA 0.665 62.769 62.100 0.005 0.000 0.947 1013 T CB 0.401 69.278 68.868 0.014 0.000 1.016 1013 T HN 0.469 nan 8.240 nan 0.000 0.554 1014 A N 1.218 124.027 122.820 -0.018 0.000 2.288 1014 A HA 0.250 4.570 4.320 -0.000 0.000 0.216 1014 A C 2.175 179.738 177.584 -0.035 0.000 1.199 1014 A CA 0.723 52.741 52.037 -0.031 0.000 0.891 1014 A CB -0.065 18.891 19.000 -0.074 0.000 0.923 1014 A HN 0.501 nan 8.150 nan 0.000 0.500 1015 T N -4.452 110.079 114.554 -0.037 0.000 3.075 1015 T HA 0.137 4.487 4.350 -0.000 0.000 0.251 1015 T C 0.430 175.107 174.700 -0.038 0.000 0.979 1015 T CA 0.611 62.687 62.100 -0.040 0.000 1.033 1015 T CB -0.419 68.409 68.868 -0.067 0.000 1.104 1015 T HN -0.011 nan 8.240 nan 0.000 0.473 1016 V N 2.697 122.575 119.914 -0.061 0.000 1.973 1016 V HA 0.488 4.608 4.120 -0.000 0.000 0.255 1016 V C 0.549 176.653 176.094 0.018 0.000 1.605 1016 V CA 0.333 62.568 62.300 -0.109 0.000 1.542 1016 V CB -0.795 30.954 31.823 -0.123 0.000 1.504 1016 V HN 0.500 nan 8.190 nan 0.000 0.505 1017 L N 1.795 123.088 121.223 0.117 0.000 1.227 1017 L HA 0.120 4.460 4.340 -0.000 0.000 0.059 1017 L C 1.757 178.763 176.870 0.226 0.000 1.492 1017 L CA 1.428 56.411 54.840 0.238 0.000 1.140 1017 L CB -0.763 41.387 42.059 0.151 0.000 2.319 1017 L HN 0.239 nan 8.230 nan 0.000 0.445 1018 A N -0.675 122.220 122.820 0.124 0.000 2.238 1018 A HA 0.264 4.584 4.320 -0.000 0.000 0.208 1018 A C 1.393 179.004 177.584 0.045 0.000 1.177 1018 A CA 1.084 53.161 52.037 0.067 0.000 0.804 1018 A CB -0.306 18.702 19.000 0.013 0.000 0.823 1018 A HN 0.276 nan 8.150 nan 0.000 0.482 1019 I N -1.814 118.854 120.570 0.164 0.000 3.914 1019 I HA 0.499 4.669 4.170 -0.000 0.000 0.333 1019 I C -0.367 176.170 176.117 0.701 0.000 1.449 1019 I CA -0.352 61.124 61.300 0.292 0.000 1.135 1019 I CB -0.591 37.505 38.000 0.159 0.000 1.073 1019 I HN 0.220 nan 8.210 nan 0.000 0.401 1020 F N -2.385 117.745 119.950 0.300 0.000 3.306 1020 F HA 0.194 4.721 4.527 -0.000 0.000 0.326 1020 F C 0.949 176.864 175.800 0.191 0.000 1.169 1020 F CA -0.781 57.347 58.000 0.212 0.000 0.883 1020 F CB 0.340 39.333 39.000 -0.013 0.000 1.505 1020 F HN -0.116 nan 8.300 nan 0.000 0.504 1021 F N 0.134 120.126 119.950 0.070 0.000 2.326 1021 F HA -0.387 4.140 4.527 -0.000 0.000 0.234 1021 F C 0.685 176.205 175.800 -0.466 0.000 1.215 1021 F CA 1.784 59.646 58.000 -0.230 0.000 1.774 1021 F CB -1.326 37.720 39.000 0.077 0.000 0.668 1021 F HN 0.098 nan 8.300 nan 0.000 0.407 1022 V N 0.286 120.253 119.914 0.088 0.000 2.732 1022 V HA 0.310 4.429 4.120 -0.000 0.000 0.310 1022 V C -1.624 174.509 176.094 0.065 0.000 1.053 1022 V CA -2.027 60.257 62.300 -0.027 0.000 0.957 1022 V CB 1.610 33.515 31.823 0.136 0.000 1.018 1022 V HN -0.067 nan 8.190 nan 0.000 0.452 1023 P HA -0.249 nan 4.420 nan 0.000 0.299 1023 P C 0.442 177.812 177.300 0.117 0.000 1.967 1023 P CA 1.891 65.053 63.100 0.102 0.000 1.762 1023 P CB -0.040 31.675 31.700 0.026 0.000 0.249 1024 V N -4.829 115.091 119.914 0.009 0.000 4.654 1024 V HA -0.278 3.842 4.120 -0.000 0.000 0.261 1024 V C 0.800 176.586 176.094 -0.513 0.000 0.471 1024 V CA 2.013 64.187 62.300 -0.211 0.000 0.802 1024 V CB -3.075 28.577 31.823 -0.286 0.000 0.768 1024 V HN 0.586 nan 8.190 nan 0.000 1.286 1025 F N -4.385 115.671 119.950 0.175 0.000 1.745 1025 F HA 0.071 4.598 4.527 -0.000 0.000 0.246 1025 F C 1.517 177.350 175.800 0.055 0.000 1.254 1025 F CA 0.084 58.138 58.000 0.090 0.000 1.282 1025 F CB -0.655 38.367 39.000 0.036 0.000 2.009 1025 F HN 0.042 nan 8.300 nan 0.000 0.139 1026 F N 2.290 122.376 119.950 0.227 0.000 2.079 1026 F HA -0.352 4.175 4.527 -0.000 0.000 0.296 1026 F C 2.410 178.262 175.800 0.087 0.000 1.084 1026 F CA 2.336 60.407 58.000 0.118 0.000 1.236 1026 F CB -1.168 37.891 39.000 0.099 0.000 0.984 1026 F HN -0.016 nan 8.300 nan 0.000 0.488 1027 V N -1.551 118.518 119.914 0.257 0.000 2.220 1027 V HA -0.301 3.819 4.120 -0.000 0.000 0.242 1027 V C 2.169 178.373 176.094 0.182 0.000 1.041 1027 V CA 1.935 64.327 62.300 0.154 0.000 0.990 1027 V CB -1.688 30.190 31.823 0.091 0.000 0.634 1027 V HN 0.190 nan 8.190 nan 0.000 0.452 1028 V N 0.521 120.549 119.914 0.191 0.000 2.311 1028 V HA -0.304 3.816 4.120 -0.000 0.000 0.256 1028 V C 2.574 178.912 176.094 0.406 0.000 1.077 1028 V CA 2.294 64.745 62.300 0.252 0.000 1.067 1028 V CB -1.344 30.643 31.823 0.274 0.000 0.659 1028 V HN 0.462 nan 8.190 nan 0.000 0.451 1029 V N 1.504 121.600 119.914 0.303 0.000 2.215 1029 V HA -0.341 3.779 4.120 -0.000 0.000 0.246 1029 V C 2.646 178.914 176.094 0.290 0.000 1.047 1029 V CA 2.952 65.377 62.300 0.207 0.000 0.999 1029 V CB -0.882 30.918 31.823 -0.039 0.000 0.635 1029 V HN 0.700 nan 8.190 nan 0.000 0.450 1030 R N 0.230 120.842 120.500 0.186 0.000 2.235 1030 R HA -0.016 4.324 4.340 -0.000 0.000 0.213 1030 R C 2.130 178.529 176.300 0.165 0.000 1.059 1030 R CA 0.889 57.084 56.100 0.159 0.000 0.997 1030 R CB -0.362 30.008 30.300 0.117 0.000 0.884 1030 R HN 0.458 nan 8.270 nan 0.000 0.462 1031 R N 0.273 120.887 120.500 0.190 0.000 2.062 1031 R HA 0.152 4.492 4.340 -0.000 0.000 0.218 1031 R C 2.186 178.594 176.300 0.179 0.000 1.161 1031 R CA 0.184 56.397 56.100 0.190 0.000 0.994 1031 R CB -0.428 30.003 30.300 0.218 0.000 0.888 1031 R HN 0.070 nan 8.270 nan 0.000 0.442 1032 R N 0.827 121.412 120.500 0.142 0.000 2.057 1032 R HA 0.033 4.373 4.340 -0.000 0.000 0.229 1032 R C 1.671 177.911 176.300 -0.101 0.000 1.136 1032 R CA 1.351 57.426 56.100 -0.042 0.000 0.952 1032 R CB -0.416 29.742 30.300 -0.237 0.000 0.848 1032 R HN 0.013 nan 8.270 nan 0.000 0.430 1033 F N 0.632 120.621 119.950 0.064 0.000 2.280 1033 F HA -0.080 4.447 4.527 -0.000 0.000 0.185 1033 F C 2.337 178.167 175.800 0.049 0.000 0.742 1033 F CA 1.016 59.044 58.000 0.048 0.000 1.047 1033 F CB -0.830 38.190 39.000 0.033 0.000 2.211 1033 F HN 0.228 nan 8.300 nan 0.000 0.712 1034 S N -0.345 115.521 115.700 0.277 0.000 2.626 1034 S HA -0.390 4.080 4.470 -0.000 0.000 0.264 1034 S C 0.726 175.392 174.600 0.110 0.000 1.330 1034 S CA 1.952 60.243 58.200 0.151 0.000 1.506 1034 S CB -1.434 61.844 63.200 0.129 0.000 1.952 1034 S HN 0.825 nan 8.310 nan 0.000 0.723 1035 R N 1.007 121.571 120.500 0.107 0.000 4.282 1035 R HA 0.508 4.848 4.340 -0.000 0.000 0.093 1035 R C -0.164 176.176 176.300 0.066 0.000 0.657 1035 R CA 0.314 56.461 56.100 0.078 0.000 0.538 1035 R CB -0.320 30.024 30.300 0.073 0.000 0.704 1035 R HN 0.644 nan 8.270 nan 0.000 0.349 1036 K N 0.000 120.437 120.400 0.062 0.000 2.780 1036 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1036 K CA 0.000 56.312 56.287 0.041 0.000 0.838 1036 K CB 0.000 32.530 32.500 0.050 0.000 1.064 1036 K HN 0.000 nan 8.250 nan 0.000 0.543