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 1wb9_1_B DATA FIRST_RESID 14 DATA SEQUENCE MQQYLRLKAQ HPEILLFYRM GDFYTLFYDD AKRASQLLDI SLTXXXXXXX DATA SEQUENCE XXXPMAGIPY HAVENYLAKL VNQGESVAIC EXXXXXXXXX XXXXRKVVRI DATA SEQUENCE VTPGTISDEA LLQERQDNLL AAIWQDSKGF GYATLDISSG RFRLSEPADR DATA SEQUENCE ETMAAELQRT NPAELLYAED FAEMSLIEGR RGLRRRPLWE FEIDTARQQL DATA SEQUENCE NLQFGTRDLV GFGVENAPRG LCAAGCLLQY AKDTQRTTLP HIRSITMERE DATA SEQUENCE QDSIIMDAAT RRNLEITQNL AGGAENTLAS VLDCTVTPMG SRMLKRWLHM DATA SEQUENCE PVRDTRVLLE RQQTIGALQD FTAGLQPVLR QVGDLERILA RLALRTARPR DATA SEQUENCE DLARMRHAFQ QLPELRAQLE TVDSAPVQAL REKMGEFAEL RDLLERAIID DATA SEQUENCE TPPVLVRDGG VIASGYNEEL DEWRALADGA TDYLERLEVR ERERTGLDTL DATA SEQUENCE KVGFNAVHGY YIQISRGQSH LAPINYMRRQ TLKNAERYII PELKEYEDKV DATA SEQUENCE LTSKGKALAL EKQLYEELFD LLLPHLEALQ QSASALAELD VLVNLAERAY DATA SEQUENCE TLNYTCPTFI DKPGIRITEG RHPVVEQVLN EPFIANPLNL SPQRRMLIIT DATA SEQUENCE GPNMGGKSTY MRQTALIALM AYIGSYVPAQ KVEIGPIDRI FTRVGXXXXX DATA SEQUENCE XXXXXTFMVE MTETANILHN ATEYSLVLMD EIGRGTSTYD GLSLAWACAE DATA SEQUENCE NLANKIKALT LFATHYFELT QLPEKMEGVA NVHLDALEHG DTIAFMHSVQ DATA SEQUENCE DGAASKSYGL AVAALAGVPK EVIKRARQKL RELESIS 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 14 M HA 0.000 nan 4.480 nan 0.000 0.227 14 M C 0.000 176.287 176.300 -0.021 0.000 1.140 14 M CA 0.000 55.261 55.300 -0.065 0.000 0.988 14 M CB 0.000 32.478 32.600 -0.204 0.000 1.302 15 Q N 0.700 120.504 119.800 0.008 0.000 2.364 15 Q HA 0.025 4.365 4.340 -0.000 0.000 0.207 15 Q C 2.031 178.060 176.000 0.049 0.000 0.970 15 Q CA 1.475 57.291 55.803 0.022 0.000 0.888 15 Q CB 0.111 28.857 28.738 0.013 0.000 0.951 15 Q HN 0.745 nan 8.270 nan 0.000 0.469 16 Q N -0.673 119.177 119.800 0.083 0.000 2.119 16 Q HA -0.207 4.133 4.340 -0.000 0.000 0.201 16 Q C 1.616 177.706 176.000 0.149 0.000 0.972 16 Q CA 1.262 57.146 55.803 0.135 0.000 0.847 16 Q CB -0.019 28.846 28.738 0.212 0.000 0.903 16 Q HN 0.508 nan 8.270 nan 0.000 0.433 17 Y N 0.715 120.971 120.300 -0.074 0.000 2.145 17 Y HA -0.252 4.298 4.550 -0.000 0.000 0.286 17 Y C 1.935 177.801 175.900 -0.057 0.000 1.145 17 Y CA 1.348 59.314 58.100 -0.223 0.000 1.148 17 Y CB -0.346 37.845 38.460 -0.447 0.000 0.981 17 Y HN 0.035 nan 8.280 nan 0.000 0.507 18 L N 0.718 121.942 121.223 0.001 0.000 1.990 18 L HA -0.288 4.052 4.340 -0.000 0.000 0.213 18 L C 2.702 179.493 176.870 -0.133 0.000 1.072 18 L CA 2.648 57.446 54.840 -0.069 0.000 0.755 18 L CB -0.558 41.502 42.059 0.002 0.000 0.889 18 L HN 0.291 nan 8.230 nan 0.000 0.432 19 R N -0.735 119.723 120.500 -0.069 0.000 2.148 19 R HA -0.097 4.243 4.340 -0.000 0.000 0.227 19 R C 2.097 178.360 176.300 -0.062 0.000 1.103 19 R CA 1.128 57.196 56.100 -0.053 0.000 0.983 19 R CB -0.695 29.594 30.300 -0.018 0.000 0.874 19 R HN 0.291 nan 8.270 nan 0.000 0.451 20 L N 0.819 122.000 121.223 -0.070 0.000 2.217 20 L HA -0.022 4.318 4.340 -0.000 0.000 0.211 20 L C 2.446 179.251 176.870 -0.107 0.000 1.107 20 L CA 0.995 55.809 54.840 -0.044 0.000 0.783 20 L CB -0.144 41.943 42.059 0.047 0.000 0.919 20 L HN 0.126 nan 8.230 nan 0.000 0.442 21 K N 0.737 120.973 120.400 -0.275 0.000 2.155 21 K HA -0.064 4.256 4.320 -0.000 0.000 0.203 21 K C 1.942 178.476 176.600 -0.109 0.000 1.052 21 K CA 1.366 57.498 56.287 -0.260 0.000 0.948 21 K CB -0.198 32.025 32.500 -0.463 0.000 0.728 21 K HN 0.173 nan 8.250 nan 0.000 0.448 22 A N 0.674 123.430 122.820 -0.106 0.000 2.070 22 A HA -0.165 4.155 4.320 -0.000 0.000 0.220 22 A C 1.923 179.459 177.584 -0.080 0.000 1.159 22 A CA 1.374 53.367 52.037 -0.074 0.000 0.656 22 A CB -0.442 18.517 19.000 -0.068 0.000 0.800 22 A HN 0.512 nan 8.150 nan 0.000 0.453 23 Q N -0.868 118.878 119.800 -0.090 0.000 2.167 23 Q HA -0.073 4.267 4.340 -0.000 0.000 0.202 23 Q C -0.153 175.602 176.000 -0.408 0.000 0.970 23 Q CA 0.906 56.597 55.803 -0.187 0.000 0.855 23 Q CB 0.014 28.687 28.738 -0.108 0.000 0.911 23 Q HN 0.815 nan 8.270 nan 0.000 0.438 24 H N -0.622 118.437 119.070 -0.019 0.000 2.607 24 H HA 0.156 4.712 4.556 -0.000 0.000 0.248 24 H C -1.990 173.335 175.328 -0.005 0.000 1.355 24 H CA -1.564 54.480 56.048 -0.007 0.000 1.524 24 H CB 1.381 31.139 29.762 -0.006 0.000 1.563 24 H HN 0.116 nan 8.280 nan 0.000 0.509 25 P HA -0.094 nan 4.420 nan 0.000 0.229 25 P C 1.162 178.501 177.300 0.066 0.000 1.160 25 P CA 0.851 63.978 63.100 0.044 0.000 0.777 25 P CB 0.514 32.223 31.700 0.014 0.000 0.814 26 E N 0.227 120.475 120.200 0.079 0.000 2.463 26 E HA 0.092 4.442 4.350 -0.000 0.000 0.193 26 E C 0.119 176.767 176.600 0.079 0.000 1.041 26 E CA -0.128 56.317 56.400 0.076 0.000 0.879 26 E CB -0.103 29.639 29.700 0.070 0.000 0.997 26 E HN 0.286 nan 8.360 nan 0.000 0.478 27 I N 1.651 122.271 120.570 0.084 0.000 2.582 27 I HA 0.241 4.411 4.170 -0.000 0.000 0.292 27 I C 0.082 176.238 176.117 0.065 0.000 1.066 27 I CA -1.125 60.209 61.300 0.056 0.000 1.053 27 I CB 2.299 40.312 38.000 0.022 0.000 1.241 27 I HN -0.087 nan 8.210 nan 0.000 0.421 28 L N 5.521 126.780 121.223 0.060 0.000 2.559 28 L HA -0.013 4.327 4.340 -0.000 0.000 0.282 28 L C -0.426 176.513 176.870 0.114 0.000 1.232 28 L CA 0.266 55.173 54.840 0.113 0.000 0.885 28 L CB 0.156 42.288 42.059 0.120 0.000 1.131 28 L HN 0.378 nan 8.230 nan 0.000 0.498 29 L N 4.795 126.159 121.223 0.236 0.000 2.324 29 L HA 0.447 4.787 4.340 -0.000 0.000 0.274 29 L C -0.731 176.425 176.870 0.475 0.000 1.012 29 L CA -0.011 54.991 54.840 0.270 0.000 0.859 29 L CB 0.581 42.771 42.059 0.219 0.000 1.224 29 L HN 0.134 nan 8.230 nan 0.000 0.429 30 F N 4.883 124.889 119.950 0.094 0.000 2.471 30 F HA 0.205 4.732 4.527 -0.000 0.000 0.365 30 F C -0.280 175.687 175.800 0.279 0.000 1.095 30 F CA -0.188 57.882 58.000 0.116 0.000 1.174 30 F CB 0.157 39.089 39.000 -0.113 0.000 1.105 30 F HN 0.397 nan 8.300 nan 0.000 0.535 31 Y N 4.815 125.317 120.300 0.336 0.000 2.388 31 Y HA 0.353 4.903 4.550 -0.000 0.000 0.328 31 Y C 0.375 176.445 175.900 0.283 0.000 0.963 31 Y CA -0.903 57.390 58.100 0.322 0.000 1.240 31 Y CB 0.406 39.075 38.460 0.349 0.000 1.118 31 Y HN 0.467 nan 8.280 nan 0.000 0.484 32 R N 6.333 126.866 120.500 0.055 0.000 2.537 32 R HA 0.299 4.639 4.340 -0.000 0.000 0.280 32 R C -1.135 175.079 176.300 -0.143 0.000 1.058 32 R CA 0.427 56.483 56.100 -0.072 0.000 1.057 32 R CB 0.346 30.582 30.300 -0.106 0.000 0.973 32 R HN 0.907 nan 8.270 nan 0.000 0.438 33 M N 3.913 123.460 119.600 -0.088 0.000 2.291 33 M HA 0.131 4.611 4.480 -0.000 0.000 0.202 33 M C 0.377 176.691 176.300 0.024 0.000 0.985 33 M CA -0.143 55.165 55.300 0.012 0.000 0.993 33 M CB 1.745 34.422 32.600 0.128 0.000 2.723 33 M HN 1.012 nan 8.290 nan 0.000 0.402 34 G N 2.111 110.883 108.800 -0.046 0.000 2.574 34 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.301 34 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.301 34 G C 0.138 174.936 174.900 -0.169 0.000 1.166 34 G CA 0.573 45.641 45.100 -0.054 0.000 0.971 34 G HN 0.654 nan 8.290 nan 0.000 0.542 35 D N 1.177 121.501 120.400 -0.127 0.000 2.325 35 D HA 0.400 5.040 4.640 -0.000 0.000 0.225 35 D C 0.127 176.066 176.300 -0.602 0.000 1.096 35 D CA 0.581 54.351 54.000 -0.383 0.000 0.844 35 D CB 0.029 40.581 40.800 -0.413 0.000 0.925 35 D HN 0.178 nan 8.370 nan 0.000 0.513 36 F N -0.579 119.243 119.950 -0.213 0.000 2.603 36 F HA 0.369 4.896 4.527 -0.000 0.000 0.317 36 F C -0.283 175.291 175.800 -0.376 0.000 1.066 36 F CA -1.241 56.638 58.000 -0.202 0.000 0.941 36 F CB 1.194 40.120 39.000 -0.124 0.000 1.291 36 F HN -0.273 nan 8.300 nan 0.000 0.472 37 Y N 0.011 120.375 120.300 0.107 0.000 2.387 37 Y HA 0.643 5.193 4.550 -0.000 0.000 0.330 37 Y C 0.061 175.857 175.900 -0.174 0.000 1.133 37 Y CA -0.796 57.288 58.100 -0.026 0.000 1.152 37 Y CB 2.035 40.443 38.460 -0.087 0.000 1.215 37 Y HN 0.410 nan 8.280 nan 0.000 0.466 38 T N 3.782 118.328 114.554 -0.012 0.000 2.886 38 T HA 0.678 5.028 4.350 -0.000 0.000 0.292 38 T C -1.148 173.261 174.700 -0.485 0.000 1.012 38 T CA -0.718 61.203 62.100 -0.298 0.000 0.982 38 T CB 1.241 69.933 68.868 -0.294 0.000 1.018 38 T HN 0.253 nan 8.240 nan 0.000 0.451 39 L N 2.524 123.360 121.223 -0.645 0.000 2.354 39 L HA 0.780 5.120 4.340 -0.000 0.000 0.269 39 L C -0.946 175.502 176.870 -0.702 0.000 1.005 39 L CA -0.590 53.959 54.840 -0.486 0.000 0.819 39 L CB 1.372 43.334 42.059 -0.162 0.000 1.311 39 L HN 0.646 nan 8.230 nan 0.000 0.423 40 F N -0.065 119.834 119.950 -0.085 0.000 2.640 40 F HA 0.546 5.072 4.527 -0.000 0.000 0.324 40 F C 0.122 175.982 175.800 0.101 0.000 1.077 40 F CA -0.744 57.171 58.000 -0.142 0.000 0.965 40 F CB 1.067 39.769 39.000 -0.497 0.000 1.351 40 F HN 0.314 nan 8.300 nan 0.000 0.487 41 Y N 0.465 120.864 120.300 0.166 0.000 2.854 41 Y HA -0.441 4.109 4.550 -0.000 0.000 0.466 41 Y C 1.600 177.562 175.900 0.103 0.000 1.170 41 Y CA 1.722 59.893 58.100 0.118 0.000 2.593 41 Y CB -1.012 37.535 38.460 0.146 0.000 1.203 41 Y HN 0.628 nan 8.280 nan 0.000 0.629 42 D N -0.004 120.599 120.400 0.338 0.000 2.310 42 D HA -0.051 4.589 4.640 -0.000 0.000 0.212 42 D C 1.412 177.810 176.300 0.164 0.000 0.965 42 D CA 1.425 55.545 54.000 0.201 0.000 0.879 42 D CB -0.373 40.542 40.800 0.192 0.000 0.921 42 D HN 0.374 nan 8.370 nan 0.000 0.510 43 D N -0.006 120.514 120.400 0.200 0.000 2.144 43 D HA -0.037 4.603 4.640 -0.000 0.000 0.200 43 D C 2.020 178.388 176.300 0.113 0.000 0.978 43 D CA 1.040 55.142 54.000 0.171 0.000 0.833 43 D CB -0.206 40.729 40.800 0.225 0.000 0.961 43 D HN 0.136 nan 8.370 nan 0.000 0.470 44 A N 1.024 123.895 122.820 0.086 0.000 1.902 44 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 44 A C 2.043 179.642 177.584 0.024 0.000 1.181 44 A CA 1.271 53.319 52.037 0.018 0.000 0.623 44 A CB -0.268 18.735 19.000 0.003 0.000 0.818 44 A HN 0.092 nan 8.150 nan 0.000 0.443 45 K N -0.786 119.640 120.400 0.042 0.000 1.985 45 K HA -0.184 4.135 4.320 -0.000 0.000 0.210 45 K C 2.375 179.002 176.600 0.045 0.000 1.047 45 K CA 1.642 57.950 56.287 0.035 0.000 0.932 45 K CB -0.265 32.258 32.500 0.040 0.000 0.716 45 K HN 0.441 nan 8.250 nan 0.000 0.439 46 R N 1.084 121.622 120.500 0.064 0.000 2.096 46 R HA -0.186 4.154 4.340 -0.000 0.000 0.240 46 R C 2.122 178.464 176.300 0.070 0.000 1.139 46 R CA 1.831 57.973 56.100 0.070 0.000 0.952 46 R CB -0.400 29.951 30.300 0.085 0.000 0.854 46 R HN 0.242 nan 8.270 nan 0.000 0.436 47 A N -0.400 122.464 122.820 0.073 0.000 1.930 47 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 47 A C 2.221 179.831 177.584 0.044 0.000 1.175 47 A CA 1.649 53.731 52.037 0.075 0.000 0.627 47 A CB -0.880 18.161 19.000 0.067 0.000 0.815 47 A HN 0.529 nan 8.150 nan 0.000 0.443 48 S N -0.016 115.697 115.700 0.021 0.000 2.383 48 S HA -0.281 4.189 4.470 -0.000 0.000 0.229 48 S C 2.191 176.809 174.600 0.029 0.000 1.030 48 S CA 1.914 60.120 58.200 0.011 0.000 1.002 48 S CB -0.372 62.828 63.200 -0.000 0.000 0.829 48 S HN 0.775 nan 8.310 nan 0.000 0.467 49 Q N -0.081 119.741 119.800 0.037 0.000 2.269 49 Q HA 0.213 4.553 4.340 -0.000 0.000 0.201 49 Q C 1.940 177.971 176.000 0.052 0.000 0.946 49 Q CA 0.997 56.824 55.803 0.041 0.000 0.877 49 Q CB -0.306 28.454 28.738 0.037 0.000 0.963 49 Q HN 0.578 nan 8.270 nan 0.000 0.472 50 L N -0.240 121.022 121.223 0.064 0.000 2.341 50 L HA 0.119 4.459 4.340 -0.000 0.000 0.214 50 L C 1.498 178.425 176.870 0.095 0.000 1.115 50 L CA 0.559 55.445 54.840 0.076 0.000 0.820 50 L CB 0.210 42.320 42.059 0.085 0.000 0.944 50 L HN 0.325 nan 8.230 nan 0.000 0.452 51 L N -1.674 119.613 121.223 0.106 0.000 2.966 51 L HA 0.200 4.540 4.340 -0.000 0.000 0.262 51 L C -0.561 176.396 176.870 0.145 0.000 1.165 51 L CA -0.226 54.709 54.840 0.159 0.000 0.978 51 L CB 0.354 42.536 42.059 0.205 0.000 1.337 51 L HN 0.072 nan 8.230 nan 0.000 0.563 52 D N 2.095 122.549 120.400 0.090 0.000 3.082 52 D HA -0.165 4.475 4.640 -0.000 0.000 0.234 52 D C -0.493 175.850 176.300 0.071 0.000 1.159 52 D CA 0.880 54.924 54.000 0.073 0.000 0.875 52 D CB -0.574 40.272 40.800 0.076 0.000 0.946 52 D HN 0.438 nan 8.370 nan 0.000 0.411 53 I N -3.874 116.715 120.570 0.031 0.000 3.174 53 I HA 0.666 4.836 4.170 -0.000 0.000 0.313 53 I C -0.127 175.979 176.117 -0.018 0.000 1.155 53 I CA -1.065 60.231 61.300 -0.007 0.000 0.977 53 I CB 2.208 40.163 38.000 -0.075 0.000 1.248 53 I HN -0.095 nan 8.210 nan 0.000 0.453 54 S N 2.297 117.979 115.700 -0.031 0.000 2.617 54 S HA 0.632 5.102 4.470 -0.000 0.000 0.269 54 S C -0.161 174.413 174.600 -0.044 0.000 1.292 54 S CA -0.553 57.629 58.200 -0.031 0.000 1.010 54 S CB 1.335 64.516 63.200 -0.031 0.000 0.944 54 S HN 0.390 nan 8.310 nan 0.000 0.536 55 L N 1.326 122.528 121.223 -0.035 0.000 2.400 55 L HA 0.615 4.954 4.340 -0.000 0.000 0.264 55 L C 0.474 177.319 176.870 -0.042 0.000 1.061 55 L CA -0.086 54.731 54.840 -0.038 0.000 0.799 55 L CB 1.613 43.655 42.059 -0.029 0.000 1.240 55 L HN 0.656 nan 8.230 nan 0.000 0.461 68 M N 1.858 121.476 119.600 0.029 0.000 2.324 68 M HA 0.777 5.257 4.480 -0.000 0.000 0.288 68 M C -1.598 174.663 176.300 -0.066 0.000 1.097 68 M CA -0.311 55.018 55.300 0.047 0.000 0.928 68 M CB 2.672 35.322 32.600 0.083 0.000 1.648 68 M HN 0.672 nan 8.290 nan 0.000 0.460 69 A N 2.453 125.183 122.820 -0.149 0.000 2.413 69 A HA 0.990 5.310 4.320 -0.000 0.000 0.307 69 A C -0.598 176.839 177.584 -0.245 0.000 1.087 69 A CA -0.555 51.380 52.037 -0.171 0.000 0.750 69 A CB 1.881 20.794 19.000 -0.146 0.000 1.296 69 A HN 0.877 nan 8.150 nan 0.000 0.423 70 G N 0.056 108.723 108.800 -0.222 0.000 2.591 70 G HA2 0.640 4.600 3.960 -0.000 0.000 0.306 70 G HA3 0.640 4.600 3.960 -0.000 0.000 0.306 70 G C -0.971 173.846 174.900 -0.139 0.000 1.334 70 G CA -0.362 44.614 45.100 -0.206 0.000 0.981 70 G HN 1.529 nan 8.290 nan 0.000 0.491 71 I N 0.511 121.014 120.570 -0.112 0.000 2.465 71 I HA 0.691 4.861 4.170 -0.000 0.000 0.291 71 I C -2.744 173.432 176.117 0.098 0.000 1.014 71 I CA -2.966 58.230 61.300 -0.175 0.000 1.093 71 I CB 2.388 40.074 38.000 -0.523 0.000 1.267 71 I HN 0.179 nan 8.210 nan 0.000 0.431 72 P HA -0.033 nan 4.420 nan 0.000 0.268 72 P C -0.360 176.948 177.300 0.013 0.000 1.208 72 P CA 0.242 63.288 63.100 -0.089 0.000 0.777 72 P CB 0.203 31.915 31.700 0.020 0.000 0.875 73 Y N 2.538 122.692 120.300 -0.242 0.000 2.220 73 Y HA -0.168 4.382 4.550 -0.000 0.000 0.291 73 Y C 1.924 177.774 175.900 -0.084 0.000 1.129 73 Y CA 1.828 59.807 58.100 -0.202 0.000 1.161 73 Y CB -0.830 37.364 38.460 -0.442 0.000 0.997 73 Y HN 0.448 nan 8.280 nan 0.000 0.522 74 H N -0.636 118.342 119.070 -0.155 0.000 2.545 74 H HA 0.195 4.751 4.556 -0.000 0.000 0.282 74 H C 1.538 176.789 175.328 -0.128 0.000 1.020 74 H CA 0.840 56.766 56.048 -0.205 0.000 1.243 74 H CB 0.063 29.785 29.762 -0.067 0.000 1.377 74 H HN 0.376 nan 8.280 nan 0.000 0.581 75 A N 0.017 122.883 122.820 0.077 0.000 2.503 75 A HA 0.193 4.513 4.320 -0.000 0.000 0.263 75 A C 1.864 179.565 177.584 0.195 0.000 1.258 75 A CA -0.052 52.059 52.037 0.122 0.000 0.936 75 A CB -0.196 18.939 19.000 0.224 0.000 1.070 75 A HN 0.290 nan 8.150 nan 0.000 0.522 76 V N 0.185 120.186 119.914 0.145 0.000 2.343 76 V HA -0.197 3.923 4.120 -0.000 0.000 0.247 76 V C 2.270 178.469 176.094 0.175 0.000 1.051 76 V CA 2.678 65.130 62.300 0.254 0.000 1.036 76 V CB -0.281 31.700 31.823 0.263 0.000 0.654 76 V HN 0.595 nan 8.190 nan 0.000 0.451 77 E N 0.040 120.268 120.200 0.047 0.000 2.106 77 E HA -0.205 4.145 4.350 -0.000 0.000 0.192 77 E C 1.985 178.583 176.600 -0.004 0.000 0.984 77 E CA 1.498 57.901 56.400 0.005 0.000 0.806 77 E CB -0.642 29.039 29.700 -0.032 0.000 0.750 77 E HN 0.712 nan 8.360 nan 0.000 0.458 78 N N -0.070 118.607 118.700 -0.038 0.000 2.043 78 N HA -0.171 4.569 4.740 -0.000 0.000 0.193 78 N C 1.656 177.068 175.510 -0.163 0.000 1.037 78 N CA 1.217 54.180 53.050 -0.145 0.000 0.851 78 N CB -0.212 38.114 38.487 -0.269 0.000 1.027 78 N HN 0.144 nan 8.380 nan 0.000 0.422 79 Y N 0.403 120.749 120.300 0.076 0.000 2.293 79 Y HA 0.015 4.565 4.550 -0.000 0.000 0.291 79 Y C 1.910 177.878 175.900 0.113 0.000 1.137 79 Y CA 0.612 58.783 58.100 0.118 0.000 1.202 79 Y CB -0.270 38.297 38.460 0.179 0.000 0.990 79 Y HN 0.094 nan 8.280 nan 0.000 0.537 80 L N -0.926 120.417 121.223 0.201 0.000 2.083 80 L HA -0.232 4.108 4.340 -0.000 0.000 0.209 80 L C 2.645 179.522 176.870 0.011 0.000 1.083 80 L CA 1.061 55.927 54.840 0.042 0.000 0.752 80 L CB -0.790 41.247 42.059 -0.036 0.000 0.899 80 L HN 0.239 nan 8.230 nan 0.000 0.433 81 A N 0.159 122.982 122.820 0.004 0.000 1.933 81 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 81 A C 2.303 179.885 177.584 -0.002 0.000 1.175 81 A CA 1.782 53.809 52.037 -0.016 0.000 0.628 81 A CB -0.276 18.702 19.000 -0.037 0.000 0.814 81 A HN 0.274 nan 8.150 nan 0.000 0.444 82 K N -0.445 119.965 120.400 0.017 0.000 2.062 82 K HA 0.122 4.442 4.320 -0.000 0.000 0.205 82 K C 1.831 178.464 176.600 0.055 0.000 1.051 82 K CA 1.014 57.322 56.287 0.034 0.000 0.941 82 K CB -0.288 32.244 32.500 0.053 0.000 0.719 82 K HN 0.441 nan 8.250 nan 0.000 0.440 83 L N 0.578 121.848 121.223 0.078 0.000 2.027 83 L HA -0.162 4.178 4.340 -0.000 0.000 0.206 83 L C 2.341 179.227 176.870 0.026 0.000 1.074 83 L CA 1.040 55.920 54.840 0.067 0.000 0.745 83 L CB -0.625 41.479 42.059 0.075 0.000 0.898 83 L HN 0.122 nan 8.230 nan 0.000 0.433 84 V N -2.911 117.005 119.914 0.002 0.000 2.515 84 V HA -0.206 3.914 4.120 -0.000 0.000 0.250 84 V C 2.023 178.118 176.094 0.001 0.000 1.058 84 V CA 2.062 64.356 62.300 -0.010 0.000 1.064 84 V CB -0.921 30.884 31.823 -0.029 0.000 0.675 84 V HN 0.553 nan 8.190 nan 0.000 0.461 85 N N 0.390 119.093 118.700 0.005 0.000 2.453 85 N HA -0.162 4.578 4.740 -0.000 0.000 0.183 85 N C 1.762 177.280 175.510 0.015 0.000 1.041 85 N CA 1.420 54.474 53.050 0.007 0.000 0.900 85 N CB -0.017 38.473 38.487 0.004 0.000 0.961 85 N HN 0.721 nan 8.380 nan 0.000 0.443 86 Q N -1.062 118.752 119.800 0.023 0.000 2.247 86 Q HA 0.192 4.532 4.340 -0.000 0.000 0.204 86 Q C 0.479 176.495 176.000 0.027 0.000 0.872 86 Q CA 0.245 56.065 55.803 0.028 0.000 0.951 86 Q CB 0.827 29.589 28.738 0.040 0.000 1.099 86 Q HN 0.444 nan 8.270 nan 0.000 0.501 87 G N 0.841 109.654 108.800 0.022 0.000 2.159 87 G HA2 -0.170 3.789 3.960 -0.000 0.000 0.227 87 G HA3 -0.170 3.789 3.960 -0.000 0.000 0.227 87 G C -0.253 174.662 174.900 0.024 0.000 0.986 87 G CA -0.408 44.705 45.100 0.022 0.000 0.651 87 G HN 0.171 nan 8.290 nan 0.000 0.523 88 E N 1.115 121.328 120.200 0.020 0.000 2.197 88 E HA 0.551 4.901 4.350 -0.000 0.000 0.281 88 E C 0.262 176.855 176.600 -0.012 0.000 0.995 88 E CA -0.201 56.209 56.400 0.016 0.000 0.808 88 E CB 1.539 31.255 29.700 0.025 0.000 1.093 88 E HN 0.213 nan 8.360 nan 0.000 0.394 89 S N 0.850 116.543 115.700 -0.012 0.000 2.614 89 S HA 0.428 4.898 4.470 -0.000 0.000 0.265 89 S C -0.048 174.486 174.600 -0.109 0.000 1.303 89 S CA -0.631 57.539 58.200 -0.050 0.000 1.000 89 S CB 0.933 64.121 63.200 -0.020 0.000 0.935 89 S HN 0.262 nan 8.310 nan 0.000 0.551 90 V N 1.212 121.011 119.914 -0.192 0.000 2.612 90 V HA 0.619 4.739 4.120 -0.000 0.000 0.301 90 V C -0.298 175.607 176.094 -0.316 0.000 1.059 90 V CA -0.890 61.215 62.300 -0.324 0.000 0.886 90 V CB 1.499 32.970 31.823 -0.586 0.000 1.007 90 V HN 0.981 nan 8.190 nan 0.000 0.426 91 A N 6.177 128.845 122.820 -0.254 0.000 2.290 91 A HA 0.861 5.181 4.320 -0.000 0.000 0.310 91 A C -0.578 176.907 177.584 -0.165 0.000 1.202 91 A CA -0.425 51.484 52.037 -0.212 0.000 0.837 91 A CB 0.438 19.337 19.000 -0.169 0.000 1.139 91 A HN 0.617 nan 8.150 nan 0.000 0.509 92 I N 2.090 122.567 120.570 -0.154 0.000 2.354 92 I HA 0.281 4.451 4.170 -0.000 0.000 0.292 92 I C -0.005 176.121 176.117 0.014 0.000 0.989 92 I CA -0.444 60.794 61.300 -0.104 0.000 1.188 92 I CB 0.834 38.713 38.000 -0.201 0.000 1.342 92 I HN 0.711 nan 8.210 nan 0.000 0.457 93 C N 7.740 127.110 119.300 0.116 0.000 2.298 93 C HA 0.647 5.107 4.460 -0.000 0.000 0.323 93 C C 0.034 175.081 174.990 0.095 0.000 1.284 93 C CA -0.219 58.867 59.018 0.113 0.000 1.577 93 C CB 0.556 28.407 27.740 0.186 0.000 2.249 93 C HN 0.824 nan 8.230 nan 0.000 0.497 109 K N -0.333 120.095 120.400 0.046 0.000 2.642 109 K HA 0.231 4.551 4.320 -0.000 0.000 0.290 109 K C -1.520 175.116 176.600 0.060 0.000 1.006 109 K CA -0.768 55.555 56.287 0.061 0.000 0.869 109 K CB 1.962 34.490 32.500 0.047 0.000 1.499 109 K HN 0.251 nan 8.250 nan 0.000 0.403 110 V N 2.933 122.890 119.914 0.072 0.000 2.403 110 V HA 0.029 4.149 4.120 -0.000 0.000 0.265 110 V C 0.775 176.881 176.094 0.020 0.000 1.034 110 V CA -0.015 62.316 62.300 0.051 0.000 1.036 110 V CB 0.755 32.620 31.823 0.070 0.000 1.032 110 V HN 0.605 nan 8.190 nan 0.000 0.478 111 V N 6.127 126.045 119.914 0.006 0.000 3.643 111 V HA 0.388 4.508 4.120 -0.000 0.000 0.280 111 V C 0.717 176.796 176.094 -0.025 0.000 1.351 111 V CA 0.378 62.678 62.300 0.000 0.000 1.073 111 V CB 0.080 31.913 31.823 0.016 0.000 0.863 111 V HN 0.859 nan 8.190 nan 0.000 0.436 112 R N 0.127 120.594 120.500 -0.055 0.000 2.561 112 R HA 0.539 4.879 4.340 -0.000 0.000 0.266 112 R C -2.062 174.154 176.300 -0.140 0.000 1.091 112 R CA -0.567 55.481 56.100 -0.086 0.000 0.927 112 R CB 1.806 32.062 30.300 -0.074 0.000 1.240 112 R HN 0.255 nan 8.270 nan 0.000 0.449 113 I N 4.480 124.954 120.570 -0.160 0.000 2.582 113 I HA 0.404 4.574 4.170 -0.000 0.000 0.292 113 I C -0.481 175.531 176.117 -0.176 0.000 1.066 113 I CA -1.145 60.033 61.300 -0.203 0.000 1.053 113 I CB 2.353 40.201 38.000 -0.253 0.000 1.241 113 I HN 0.417 nan 8.210 nan 0.000 0.421 114 V N 1.683 121.488 119.914 -0.183 0.000 2.495 114 V HA 0.829 4.949 4.120 -0.000 0.000 0.298 114 V C -0.129 175.892 176.094 -0.120 0.000 1.031 114 V CA -0.332 61.881 62.300 -0.145 0.000 0.871 114 V CB 1.358 33.095 31.823 -0.144 0.000 0.988 114 V HN 0.832 nan 8.190 nan 0.000 0.432 115 T N 1.627 116.131 114.554 -0.084 0.000 2.885 115 T HA 0.656 5.006 4.350 -0.000 0.000 0.285 115 T C -1.993 172.702 174.700 -0.008 0.000 1.019 115 T CA -2.071 60.013 62.100 -0.026 0.000 1.010 115 T CB 2.181 71.069 68.868 0.032 0.000 1.022 115 T HN 0.454 nan 8.240 nan 0.000 0.466 116 P HA 0.074 nan 4.420 nan 0.000 0.218 116 P C 1.421 178.726 177.300 0.010 0.000 1.148 116 P CA 1.100 64.203 63.100 0.005 0.000 0.822 116 P CB -0.173 31.535 31.700 0.013 0.000 0.784 117 G N -1.703 107.117 108.800 0.032 0.000 3.088 117 G HA2 0.003 3.963 3.960 -0.000 0.000 0.217 117 G HA3 0.003 3.963 3.960 -0.000 0.000 0.217 117 G C 0.780 175.688 174.900 0.012 0.000 1.159 117 G CA 0.653 45.768 45.100 0.025 0.000 0.760 117 G HN 0.379 nan 8.290 nan 0.000 0.550 118 T N -1.118 113.436 114.554 0.000 0.000 3.200 118 T HA 0.393 4.743 4.350 -0.000 0.000 0.284 118 T C 0.812 175.483 174.700 -0.048 0.000 1.009 118 T CA -0.600 61.480 62.100 -0.033 0.000 0.907 118 T CB -0.363 68.465 68.868 -0.067 0.000 1.120 118 T HN 0.277 nan 8.240 nan 0.000 0.534 119 I N -0.057 120.489 120.570 -0.041 0.000 2.662 119 I HA 0.697 4.867 4.170 -0.000 0.000 0.291 119 I C 0.627 176.717 176.117 -0.044 0.000 1.046 119 I CA -0.667 60.604 61.300 -0.048 0.000 1.361 119 I CB 1.536 39.508 38.000 -0.046 0.000 1.429 119 I HN 0.190 nan 8.210 nan 0.000 0.558 120 S N 0.504 116.173 115.700 -0.052 0.000 2.800 120 S HA 0.200 4.670 4.470 -0.000 0.000 0.266 120 S C -0.229 174.337 174.600 -0.058 0.000 1.029 120 S CA -0.588 57.577 58.200 -0.058 0.000 1.302 120 S CB -0.181 62.974 63.200 -0.075 0.000 1.212 120 S HN 0.716 nan 8.310 nan 0.000 0.683 121 D N 2.742 123.111 120.400 -0.051 0.000 2.350 121 D HA 0.205 4.845 4.640 -0.000 0.000 0.249 121 D C 1.051 177.326 176.300 -0.042 0.000 1.119 121 D CA -0.028 53.946 54.000 -0.045 0.000 0.886 121 D CB 1.259 42.034 40.800 -0.041 0.000 1.195 121 D HN 0.411 nan 8.370 nan 0.000 0.437 122 E N 2.122 122.298 120.200 -0.039 0.000 2.130 122 E HA -0.270 4.080 4.350 -0.000 0.000 0.196 122 E C 1.572 178.151 176.600 -0.036 0.000 0.998 122 E CA 1.276 57.654 56.400 -0.037 0.000 0.806 122 E CB 0.151 29.830 29.700 -0.035 0.000 0.738 122 E HN 0.529 nan 8.360 nan 0.000 0.459 123 A N 0.428 123.226 122.820 -0.036 0.000 2.015 123 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 123 A C 2.006 179.567 177.584 -0.039 0.000 1.163 123 A CA 0.911 52.925 52.037 -0.038 0.000 0.646 123 A CB -0.253 18.724 19.000 -0.038 0.000 0.806 123 A HN 0.314 nan 8.150 nan 0.000 0.448 124 L N -1.233 119.967 121.223 -0.038 0.000 2.554 124 L HA 0.283 4.623 4.340 -0.000 0.000 0.225 124 L C 0.226 177.077 176.870 -0.033 0.000 1.104 124 L CA -0.108 54.710 54.840 -0.037 0.000 0.866 124 L CB -0.100 41.934 42.059 -0.042 0.000 1.047 124 L HN 0.210 nan 8.230 nan 0.000 0.468 125 L N 0.079 121.283 121.223 -0.032 0.000 2.334 125 L HA 0.354 4.694 4.340 -0.000 0.000 0.272 125 L C -0.062 176.793 176.870 -0.026 0.000 1.020 125 L CA -0.645 54.178 54.840 -0.028 0.000 0.812 125 L CB 1.764 43.806 42.059 -0.029 0.000 1.264 125 L HN -0.016 nan 8.230 nan 0.000 0.439 126 Q N 0.776 120.563 119.800 -0.021 0.000 2.274 126 Q HA 0.089 4.429 4.340 -0.000 0.000 0.256 126 Q C 0.601 176.589 176.000 -0.019 0.000 0.927 126 Q CA -0.014 55.778 55.803 -0.019 0.000 0.939 126 Q CB 1.544 30.273 28.738 -0.014 0.000 1.201 126 Q HN 0.540 nan 8.270 nan 0.000 0.426 127 E N 3.383 123.571 120.200 -0.021 0.000 2.097 127 E HA -0.214 4.136 4.350 -0.000 0.000 0.196 127 E C 0.530 177.117 176.600 -0.020 0.000 1.000 127 E CA 1.336 57.722 56.400 -0.023 0.000 0.804 127 E CB 0.299 29.985 29.700 -0.024 0.000 0.740 127 E HN 0.658 nan 8.360 nan 0.000 0.454 128 R N -0.223 120.267 120.500 -0.016 0.000 2.633 128 R HA 0.243 4.583 4.340 -0.000 0.000 0.348 128 R C -0.494 175.803 176.300 -0.006 0.000 1.100 128 R CA -0.045 56.047 56.100 -0.014 0.000 1.068 128 R CB 0.773 31.066 30.300 -0.013 0.000 1.351 128 R HN 0.075 nan 8.270 nan 0.000 0.575 129 Q N 0.357 120.154 119.800 -0.005 0.000 2.285 129 Q HA 0.189 4.529 4.340 -0.000 0.000 0.269 129 Q C -1.319 174.680 176.000 -0.001 0.000 1.030 129 Q CA -0.884 54.919 55.803 0.001 0.000 0.788 129 Q CB 2.497 31.236 28.738 0.002 0.000 1.266 129 Q HN 0.058 nan 8.270 nan 0.000 0.438 130 D N 1.719 122.121 120.400 0.004 0.000 2.423 130 D HA 0.044 4.684 4.640 -0.000 0.000 0.238 130 D C -0.345 175.955 176.300 0.001 0.000 1.142 130 D CA 0.654 54.657 54.000 0.004 0.000 0.884 130 D CB 0.586 41.394 40.800 0.014 0.000 1.199 130 D HN 0.369 nan 8.370 nan 0.000 0.438 131 N N 1.621 120.321 118.700 -0.001 0.000 2.609 131 N HA 0.268 5.008 4.740 -0.000 0.000 0.268 131 N C -1.516 173.991 175.510 -0.004 0.000 1.106 131 N CA -0.377 52.671 53.050 -0.003 0.000 0.823 131 N CB 0.444 38.926 38.487 -0.008 0.000 1.263 131 N HN 0.186 nan 8.380 nan 0.000 0.533 132 L N 1.901 123.123 121.223 -0.001 0.000 2.331 132 L HA 0.584 4.924 4.340 -0.000 0.000 0.275 132 L C -0.371 176.492 176.870 -0.011 0.000 1.022 132 L CA -1.296 53.540 54.840 -0.007 0.000 0.812 132 L CB 1.421 43.480 42.059 0.001 0.000 1.257 132 L HN 0.340 nan 8.230 nan 0.000 0.435 133 L N 2.550 123.756 121.223 -0.028 0.000 2.334 133 L HA 0.804 5.144 4.340 -0.000 0.000 0.277 133 L C -0.217 176.613 176.870 -0.068 0.000 1.075 133 L CA 0.195 55.016 54.840 -0.032 0.000 0.804 133 L CB 1.301 43.345 42.059 -0.025 0.000 1.174 133 L HN 0.750 nan 8.230 nan 0.000 0.438 134 A N 3.771 126.548 122.820 -0.072 0.000 2.515 134 A HA 0.989 5.309 4.320 -0.000 0.000 0.296 134 A C -1.429 176.103 177.584 -0.087 0.000 1.094 134 A CA -0.149 51.803 52.037 -0.141 0.000 0.718 134 A CB 1.592 20.518 19.000 -0.123 0.000 1.307 134 A HN 1.179 nan 8.150 nan 0.000 0.408 135 A N 0.615 123.377 122.820 -0.096 0.000 2.449 135 A HA 0.792 5.112 4.320 -0.000 0.000 0.302 135 A C -1.046 176.685 177.584 0.245 0.000 1.048 135 A CA -0.340 51.744 52.037 0.079 0.000 0.708 135 A CB 1.000 20.031 19.000 0.051 0.000 1.274 135 A HN 1.356 nan 8.150 nan 0.000 0.410 136 I N 2.631 123.408 120.570 0.345 0.000 2.689 136 I HA 0.810 4.980 4.170 -0.000 0.000 0.299 136 I C -1.359 174.975 176.117 0.362 0.000 1.059 136 I CA -0.548 60.988 61.300 0.395 0.000 1.055 136 I CB 1.784 39.891 38.000 0.179 0.000 1.243 136 I HN 0.948 nan 8.210 nan 0.000 0.425 137 W N 6.376 127.777 121.300 0.168 0.000 2.874 137 W HA 0.511 5.171 4.660 -0.000 0.000 0.403 137 W C -2.508 174.204 176.519 0.323 0.000 1.144 137 W CA -0.868 56.529 57.345 0.088 0.000 1.175 137 W CB 1.136 30.338 29.460 -0.430 0.000 1.483 137 W HN 0.654 nan 8.180 nan 0.000 0.591 138 Q N 1.899 121.442 119.800 -0.429 0.000 2.315 138 Q HA 0.374 4.714 4.340 -0.000 0.000 0.273 138 Q C -1.662 173.697 176.000 -1.067 0.000 1.053 138 Q CA -0.361 55.010 55.803 -0.720 0.000 0.817 138 Q CB 2.599 31.026 28.738 -0.518 0.000 1.326 138 Q HN 0.310 nan 8.270 nan 0.000 0.423 139 D N 0.302 120.137 120.400 -0.941 0.000 2.440 139 D HA 0.245 4.884 4.640 -0.000 0.000 0.258 139 D C 0.730 176.753 176.300 -0.463 0.000 1.092 139 D CA -0.024 53.573 54.000 -0.672 0.000 1.016 139 D CB 1.746 42.259 40.800 -0.479 0.000 1.141 139 D HN 0.636 nan 8.370 nan 0.000 0.552 140 S N -0.119 115.397 115.700 -0.307 0.000 2.423 140 S HA -0.112 4.358 4.470 -0.000 0.000 0.231 140 S C 1.376 175.843 174.600 -0.222 0.000 1.014 140 S CA 0.825 58.884 58.200 -0.236 0.000 0.965 140 S CB -0.042 63.066 63.200 -0.153 0.000 0.785 140 S HN 0.369 nan 8.310 nan 0.000 0.495 141 K N 1.346 121.618 120.400 -0.213 0.000 2.116 141 K HA 0.296 4.616 4.320 -0.000 0.000 0.203 141 K C 1.243 177.724 176.600 -0.199 0.000 1.052 141 K CA 0.770 56.958 56.287 -0.165 0.000 0.952 141 K CB -0.109 32.325 32.500 -0.111 0.000 0.729 141 K HN 0.524 nan 8.250 nan 0.000 0.446 142 G N -0.272 108.336 108.800 -0.319 0.000 2.344 142 G HA2 0.202 4.162 3.960 -0.000 0.000 0.282 142 G HA3 0.202 4.162 3.960 -0.000 0.000 0.282 142 G C -1.687 172.930 174.900 -0.472 0.000 1.281 142 G CA -1.044 43.844 45.100 -0.353 0.000 0.877 142 G HN -0.025 nan 8.290 nan 0.000 0.494 143 F N 0.490 120.390 119.950 -0.083 0.000 2.403 143 F HA 0.717 5.244 4.527 -0.000 0.000 0.326 143 F C 1.048 176.883 175.800 0.058 0.000 1.081 143 F CA 0.368 58.346 58.000 -0.037 0.000 1.041 143 F CB 2.237 41.256 39.000 0.032 0.000 1.234 143 F HN 0.688 nan 8.300 nan 0.000 0.503 144 G N 0.569 109.612 108.800 0.405 0.000 2.542 144 G HA2 0.543 4.502 3.960 -0.000 0.000 0.311 144 G HA3 0.543 4.502 3.960 -0.000 0.000 0.311 144 G C -2.596 172.653 174.900 0.583 0.000 1.298 144 G CA -0.522 44.883 45.100 0.510 0.000 0.973 144 G HN 0.489 nan 8.290 nan 0.000 0.487 145 Y N 0.699 121.162 120.300 0.271 0.000 2.479 145 Y HA 0.679 5.229 4.550 -0.000 0.000 0.338 145 Y C -0.668 175.325 175.900 0.156 0.000 1.055 145 Y CA -0.892 57.327 58.100 0.198 0.000 1.023 145 Y CB 2.168 40.704 38.460 0.127 0.000 1.287 145 Y HN 0.951 nan 8.280 nan 0.000 0.447 146 A N 2.994 125.608 122.820 -0.344 0.000 2.449 146 A HA 0.830 5.150 4.320 -0.000 0.000 0.302 146 A C -0.945 176.402 177.584 -0.395 0.000 1.048 146 A CA -0.212 51.689 52.037 -0.226 0.000 0.708 146 A CB 1.391 20.403 19.000 0.021 0.000 1.274 146 A HN 0.938 nan 8.150 nan 0.000 0.410 147 T N -0.788 113.673 114.554 -0.155 0.000 2.900 147 T HA 0.721 5.071 4.350 -0.000 0.000 0.295 147 T C -1.152 173.580 174.700 0.053 0.000 1.044 147 T CA -0.618 61.417 62.100 -0.108 0.000 0.995 147 T CB 1.387 70.194 68.868 -0.101 0.000 1.072 147 T HN 1.539 nan 8.240 nan 0.000 0.473 148 L N 1.748 122.945 121.223 -0.043 0.000 2.464 148 L HA 0.670 5.010 4.340 -0.000 0.000 0.266 148 L C -1.627 175.198 176.870 -0.074 0.000 0.965 148 L CA -0.380 54.392 54.840 -0.113 0.000 0.833 148 L CB 2.241 44.082 42.059 -0.363 0.000 1.296 148 L HN 0.881 nan 8.230 nan 0.000 0.405 149 D N 4.456 124.831 120.400 -0.042 0.000 2.443 149 D HA 0.149 4.789 4.640 -0.000 0.000 0.221 149 D C 1.008 177.298 176.300 -0.017 0.000 1.097 149 D CA -0.017 53.973 54.000 -0.017 0.000 0.865 149 D CB 0.844 41.652 40.800 0.013 0.000 1.034 149 D HN 0.698 nan 8.370 nan 0.000 0.511 150 I N 2.706 123.264 120.570 -0.020 0.000 2.567 150 I HA -0.229 3.941 4.170 -0.000 0.000 0.257 150 I C 1.606 177.818 176.117 0.159 0.000 1.184 150 I CA 0.739 62.056 61.300 0.027 0.000 1.451 150 I CB 0.346 38.344 38.000 -0.002 0.000 1.089 150 I HN 0.264 nan 8.210 nan 0.000 0.441 151 S N -0.031 115.705 115.700 0.061 0.000 2.345 151 S HA -0.154 4.316 4.470 -0.000 0.000 0.219 151 S C 2.025 176.670 174.600 0.074 0.000 1.031 151 S CA 1.575 59.784 58.200 0.016 0.000 0.984 151 S CB -0.253 62.934 63.200 -0.021 0.000 0.874 151 S HN 0.681 nan 8.310 nan 0.000 0.451 152 S N 0.375 116.124 115.700 0.083 0.000 2.496 152 S HA 0.270 4.739 4.470 -0.000 0.000 0.224 152 S C 1.613 176.302 174.600 0.149 0.000 0.996 152 S CA 0.966 59.222 58.200 0.093 0.000 0.927 152 S CB -0.201 63.032 63.200 0.054 0.000 0.774 152 S HN 0.859 nan 8.310 nan 0.000 0.524 153 G N 1.451 110.335 108.800 0.139 0.000 2.159 153 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.256 153 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.256 153 G C 0.122 175.032 174.900 0.017 0.000 0.977 153 G CA 0.193 45.289 45.100 -0.007 0.000 0.652 153 G HN 0.747 nan 8.290 nan 0.000 0.531 154 R N 0.061 120.591 120.500 0.049 0.000 2.343 154 R HA 0.453 4.793 4.340 -0.000 0.000 0.326 154 R C -0.916 175.463 176.300 0.131 0.000 1.055 154 R CA -0.377 55.771 56.100 0.081 0.000 0.961 154 R CB -0.150 30.193 30.300 0.072 0.000 0.978 154 R HN 0.056 nan 8.270 nan 0.000 0.443 155 F N 5.292 125.214 119.950 -0.046 0.000 2.477 155 F HA 0.521 5.048 4.527 -0.000 0.000 0.335 155 F C -0.911 174.856 175.800 -0.056 0.000 1.130 155 F CA -1.211 56.757 58.000 -0.054 0.000 0.948 155 F CB 1.193 40.164 39.000 -0.048 0.000 1.154 155 F HN 0.473 nan 8.300 nan 0.000 0.439 156 R N 5.723 126.326 120.500 0.170 0.000 2.744 156 R HA 0.732 5.072 4.340 -0.000 0.000 0.279 156 R C -1.484 174.789 176.300 -0.045 0.000 0.977 156 R CA -0.910 55.194 56.100 0.006 0.000 0.906 156 R CB 2.303 32.633 30.300 0.049 0.000 1.197 156 R HN 0.671 nan 8.270 nan 0.000 0.463 157 L N -1.600 119.586 121.223 -0.061 0.000 2.327 157 L HA 0.894 5.234 4.340 -0.000 0.000 0.258 157 L C -0.253 176.654 176.870 0.061 0.000 1.024 157 L CA -0.624 54.210 54.840 -0.011 0.000 0.825 157 L CB 2.194 44.225 42.059 -0.047 0.000 1.386 157 L HN 0.767 nan 8.230 nan 0.000 0.417 158 S N -1.058 114.722 115.700 0.133 0.000 2.615 158 S HA 0.693 5.163 4.470 -0.000 0.000 0.269 158 S C -1.035 173.681 174.600 0.193 0.000 1.161 158 S CA -0.824 57.467 58.200 0.151 0.000 0.817 158 S CB 1.729 65.033 63.200 0.173 0.000 1.131 158 S HN 0.742 nan 8.310 nan 0.000 0.467 159 E N 0.943 121.239 120.200 0.159 0.000 3.666 159 E HA 0.302 4.652 4.350 -0.000 0.000 0.230 159 E C -2.852 173.839 176.600 0.152 0.000 1.235 159 E CA -1.642 54.862 56.400 0.175 0.000 1.096 159 E CB 0.935 30.717 29.700 0.137 0.000 1.287 159 E HN 0.363 nan 8.360 nan 0.000 0.406 160 P HA -0.118 nan 4.420 nan 0.000 0.261 160 P C 0.485 177.886 177.300 0.169 0.000 1.173 160 P CA 0.357 63.516 63.100 0.098 0.000 0.760 160 P CB 0.867 32.557 31.700 -0.016 0.000 0.783 161 A N 3.159 126.043 122.820 0.107 0.000 2.067 161 A HA 0.016 4.336 4.320 -0.000 0.000 0.217 161 A C 0.540 178.205 177.584 0.134 0.000 1.156 161 A CA 1.378 53.476 52.037 0.100 0.000 0.683 161 A CB -0.558 18.475 19.000 0.055 0.000 0.808 161 A HN 0.679 nan 8.150 nan 0.000 0.455 162 D N -4.345 116.150 120.400 0.160 0.000 2.665 162 D HA 0.236 4.876 4.640 -0.000 0.000 0.287 162 D C 0.495 176.880 176.300 0.140 0.000 1.266 162 D CA -0.719 53.390 54.000 0.182 0.000 0.830 162 D CB 0.261 41.108 40.800 0.077 0.000 1.356 162 D HN -0.130 nan 8.370 nan 0.000 0.437 163 R N -0.323 120.272 120.500 0.158 0.000 2.103 163 R HA -0.192 4.148 4.340 -0.000 0.000 0.242 163 R C 1.157 177.389 176.300 -0.113 0.000 1.142 163 R CA 1.979 58.081 56.100 0.003 0.000 0.960 163 R CB -0.063 30.270 30.300 0.054 0.000 0.858 163 R HN 0.563 nan 8.270 nan 0.000 0.439 164 E N -1.046 119.124 120.200 -0.050 0.000 2.047 164 E HA -0.103 4.247 4.350 -0.000 0.000 0.191 164 E C 1.931 178.481 176.600 -0.083 0.000 0.987 164 E CA 1.846 58.217 56.400 -0.048 0.000 0.799 164 E CB -0.129 29.573 29.700 0.004 0.000 0.752 164 E HN 0.236 nan 8.360 nan 0.000 0.449 165 T N 0.609 115.116 114.554 -0.078 0.000 2.833 165 T HA -0.153 4.197 4.350 -0.000 0.000 0.269 165 T C 1.685 176.278 174.700 -0.179 0.000 1.054 165 T CA 1.192 63.235 62.100 -0.094 0.000 1.135 165 T CB -0.147 68.693 68.868 -0.047 0.000 0.869 165 T HN 0.051 nan 8.240 nan 0.000 0.466 166 M N 1.815 121.239 119.600 -0.292 0.000 2.123 166 M HA 0.194 4.674 4.480 -0.000 0.000 0.263 166 M C 2.388 178.454 176.300 -0.391 0.000 1.069 166 M CA 1.439 56.452 55.300 -0.478 0.000 1.133 166 M CB -1.001 31.032 32.600 -0.945 0.000 1.356 166 M HN 0.169 nan 8.290 nan 0.000 0.415 167 A N 0.025 122.672 122.820 -0.290 0.000 1.892 167 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 167 A C 2.400 179.888 177.584 -0.161 0.000 1.188 167 A CA 2.596 54.516 52.037 -0.195 0.000 0.631 167 A CB -1.604 17.319 19.000 -0.128 0.000 0.822 167 A HN 0.675 nan 8.150 nan 0.000 0.447 168 A N -0.789 121.946 122.820 -0.140 0.000 1.902 168 A HA -0.156 4.163 4.320 -0.000 0.000 0.217 168 A C 1.978 179.492 177.584 -0.118 0.000 1.181 168 A CA 1.689 53.662 52.037 -0.106 0.000 0.623 168 A CB -0.416 18.531 19.000 -0.088 0.000 0.818 168 A HN 0.520 nan 8.150 nan 0.000 0.443 169 E N -0.052 120.045 120.200 -0.172 0.000 2.072 169 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 169 E C 2.085 178.571 176.600 -0.189 0.000 0.985 169 E CA 0.847 57.145 56.400 -0.170 0.000 0.801 169 E CB -0.386 29.169 29.700 -0.242 0.000 0.750 169 E HN 0.671 nan 8.360 nan 0.000 0.452 170 L N 0.758 121.805 121.223 -0.294 0.000 2.012 170 L HA -0.262 4.078 4.340 -0.000 0.000 0.210 170 L C 2.829 179.645 176.870 -0.090 0.000 1.073 170 L CA 1.525 56.246 54.840 -0.199 0.000 0.748 170 L CB -0.384 41.546 42.059 -0.215 0.000 0.891 170 L HN 0.140 nan 8.230 nan 0.000 0.431 171 Q N 0.416 120.158 119.800 -0.096 0.000 2.050 171 Q HA -0.247 4.093 4.340 -0.000 0.000 0.202 171 Q C 2.265 178.212 176.000 -0.089 0.000 0.980 171 Q CA 1.702 57.462 55.803 -0.072 0.000 0.840 171 Q CB -0.174 28.529 28.738 -0.059 0.000 0.898 171 Q HN 0.260 nan 8.270 nan 0.000 0.424 172 R N -0.496 119.951 120.500 -0.089 0.000 2.073 172 R HA -0.124 4.216 4.340 -0.000 0.000 0.234 172 R C 2.064 178.293 176.300 -0.118 0.000 1.134 172 R CA 2.088 58.112 56.100 -0.126 0.000 0.952 172 R CB -0.455 29.817 30.300 -0.046 0.000 0.850 172 R HN 0.564 nan 8.270 nan 0.000 0.433 173 T N -1.934 112.610 114.554 -0.017 0.000 3.043 173 T HA -0.050 4.300 4.350 -0.000 0.000 0.263 173 T C 0.733 175.443 174.700 0.016 0.000 1.094 173 T CA 0.475 62.598 62.100 0.037 0.000 1.127 173 T CB -0.346 68.625 68.868 0.171 0.000 0.905 173 T HN 0.427 nan 8.240 nan 0.000 0.490 174 N N 2.576 121.276 118.700 0.000 0.000 2.669 174 N HA -0.097 4.643 4.740 -0.000 0.000 0.266 174 N C -2.620 172.900 175.510 0.017 0.000 1.024 174 N CA 0.313 53.359 53.050 -0.006 0.000 0.766 174 N CB -0.756 37.709 38.487 -0.037 0.000 0.898 174 N HN 0.386 nan 8.380 nan 0.000 0.548 175 P HA 0.128 nan 4.420 nan 0.000 0.271 175 P C 0.483 177.796 177.300 0.021 0.000 1.220 175 P CA 0.159 63.284 63.100 0.041 0.000 0.768 175 P CB 0.978 32.722 31.700 0.073 0.000 0.848 176 A N 3.109 125.937 122.820 0.013 0.000 2.015 176 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 176 A C 0.961 178.552 177.584 0.012 0.000 1.163 176 A CA 1.239 53.282 52.037 0.010 0.000 0.646 176 A CB -0.434 18.569 19.000 0.006 0.000 0.806 176 A HN 0.696 nan 8.150 nan 0.000 0.448 177 E N -1.353 118.854 120.200 0.011 0.000 2.308 177 E HA 0.525 4.875 4.350 -0.000 0.000 0.275 177 E C -2.154 174.439 176.600 -0.013 0.000 0.890 177 E CA -0.697 55.706 56.400 0.004 0.000 0.754 177 E CB 1.540 31.252 29.700 0.020 0.000 1.207 177 E HN 0.121 nan 8.360 nan 0.000 0.426 178 L N 5.862 127.076 121.223 -0.014 0.000 2.471 178 L HA 0.418 4.758 4.340 -0.000 0.000 0.263 178 L C -1.832 175.056 176.870 0.030 0.000 0.985 178 L CA -0.332 54.515 54.840 0.012 0.000 0.868 178 L CB 1.151 43.232 42.059 0.036 0.000 1.203 178 L HN 0.554 nan 8.230 nan 0.000 0.429 179 L N 5.813 127.013 121.223 -0.039 0.000 2.331 179 L HA 0.461 4.801 4.340 -0.000 0.000 0.278 179 L C -0.677 176.303 176.870 0.183 0.000 1.106 179 L CA -0.456 54.356 54.840 -0.047 0.000 0.824 179 L CB 0.364 42.288 42.059 -0.224 0.000 1.142 179 L HN 0.681 nan 8.230 nan 0.000 0.443 180 Y N 1.414 121.719 120.300 0.007 0.000 2.524 180 Y HA 0.823 5.373 4.550 -0.000 0.000 0.347 180 Y C -0.289 175.584 175.900 -0.046 0.000 1.005 180 Y CA -1.427 56.622 58.100 -0.085 0.000 1.025 180 Y CB 1.162 39.426 38.460 -0.327 0.000 1.275 180 Y HN 0.608 nan 8.280 nan 0.000 0.460 181 A N 2.411 125.080 122.820 -0.251 0.000 2.425 181 A HA 0.219 4.539 4.320 -0.000 0.000 0.242 181 A C 0.817 178.362 177.584 -0.065 0.000 1.077 181 A CA -0.014 51.864 52.037 -0.266 0.000 0.781 181 A CB 0.121 18.892 19.000 -0.381 0.000 1.020 181 A HN 1.017 nan 8.150 nan 0.000 0.494 182 E N 0.632 120.797 120.200 -0.060 0.000 2.058 182 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 182 E C 0.631 177.305 176.600 0.123 0.000 0.997 182 E CA 1.455 57.853 56.400 -0.002 0.000 0.801 182 E CB -0.091 29.615 29.700 0.010 0.000 0.746 182 E HN 0.862 nan 8.360 nan 0.000 0.450 183 D N 0.480 120.954 120.400 0.123 0.000 2.323 183 D HA -0.103 4.537 4.640 -0.000 0.000 0.239 183 D C -0.102 176.291 176.300 0.154 0.000 1.129 183 D CA -0.299 53.772 54.000 0.119 0.000 0.865 183 D CB -0.605 40.245 40.800 0.083 0.000 0.913 183 D HN -0.049 nan 8.370 nan 0.000 0.517 184 F N 1.444 121.447 119.950 0.088 0.000 2.602 184 F HA 0.264 4.791 4.527 -0.000 0.000 0.385 184 F C 1.376 177.206 175.800 0.051 0.000 1.063 184 F CA -0.247 57.807 58.000 0.089 0.000 1.233 184 F CB 1.050 40.180 39.000 0.216 0.000 1.067 184 F HN 0.048 nan 8.300 nan 0.000 0.564 185 A N 4.041 126.560 122.820 -0.501 0.000 1.911 185 A HA 0.007 4.327 4.320 -0.000 0.000 0.212 185 A C 1.125 178.486 177.584 -0.372 0.000 1.189 185 A CA 0.491 52.322 52.037 -0.342 0.000 0.639 185 A CB -0.387 18.421 19.000 -0.320 0.000 0.839 185 A HN 0.629 nan 8.150 nan 0.000 0.449 186 E N 0.440 120.228 120.200 -0.687 0.000 2.110 186 E HA 0.206 4.556 4.350 -0.000 0.000 0.300 186 E C 0.928 177.465 176.600 -0.105 0.000 1.278 186 E CA -0.157 56.031 56.400 -0.354 0.000 1.365 186 E CB -0.266 29.304 29.700 -0.217 0.000 1.283 186 E HN 0.285 nan 8.360 nan 0.000 0.490 187 M N 0.274 119.874 119.600 -0.000 0.000 2.374 187 M HA -0.119 4.361 4.480 -0.000 0.000 0.264 187 M C 1.825 178.164 176.300 0.065 0.000 1.067 187 M CA 0.990 56.366 55.300 0.127 0.000 1.103 187 M CB -0.911 31.738 32.600 0.082 0.000 1.402 187 M HN 0.407 nan 8.290 nan 0.000 0.444 188 S N 0.222 115.940 115.700 0.031 0.000 2.399 188 S HA -0.110 4.360 4.470 -0.000 0.000 0.231 188 S C 1.972 176.579 174.600 0.011 0.000 1.022 188 S CA 0.874 59.081 58.200 0.012 0.000 0.983 188 S CB -0.908 62.292 63.200 -0.001 0.000 0.803 188 S HN 0.489 nan 8.310 nan 0.000 0.480 189 L N 1.149 122.397 121.223 0.041 0.000 2.079 189 L HA 0.001 4.341 4.340 -0.000 0.000 0.210 189 L C 2.433 179.290 176.870 -0.021 0.000 1.081 189 L CA 1.783 56.631 54.840 0.014 0.000 0.752 189 L CB -0.529 41.563 42.059 0.055 0.000 0.896 189 L HN 0.560 nan 8.230 nan 0.000 0.433 190 I N -5.581 114.976 120.570 -0.021 0.000 4.154 190 I HA 0.122 4.292 4.170 -0.000 0.000 0.334 190 I C 1.787 177.834 176.117 -0.116 0.000 1.371 190 I CA 0.078 61.313 61.300 -0.109 0.000 1.110 190 I CB 0.114 37.973 38.000 -0.235 0.000 1.085 190 I HN 0.048 nan 8.210 nan 0.000 0.398 191 E N 2.310 122.466 120.200 -0.074 0.000 2.085 191 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 191 E C 2.116 178.693 176.600 -0.038 0.000 0.994 191 E CA 1.792 58.157 56.400 -0.057 0.000 0.801 191 E CB -0.138 29.549 29.700 -0.022 0.000 0.743 191 E HN 0.679 nan 8.360 nan 0.000 0.453 192 G N 0.090 108.873 108.800 -0.028 0.000 2.920 192 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.208 192 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.208 192 G C 0.326 175.217 174.900 -0.016 0.000 1.159 192 G CA -0.311 44.780 45.100 -0.015 0.000 0.784 192 G HN 0.002 nan 8.290 nan 0.000 0.535 193 R N 0.615 121.097 120.500 -0.029 0.000 2.531 193 R HA 0.306 4.646 4.340 -0.000 0.000 0.273 193 R C 0.616 176.911 176.300 -0.008 0.000 1.070 193 R CA -0.615 55.471 56.100 -0.023 0.000 1.112 193 R CB 0.846 31.123 30.300 -0.039 0.000 1.049 193 R HN 0.338 nan 8.270 nan 0.000 0.508 194 R N 0.088 120.589 120.500 0.002 0.000 2.641 194 R HA 0.213 4.553 4.340 -0.000 0.000 0.269 194 R C 0.309 176.618 176.300 0.015 0.000 1.074 194 R CA 0.350 56.457 56.100 0.012 0.000 1.133 194 R CB 0.350 30.659 30.300 0.014 0.000 1.029 194 R HN 0.774 nan 8.270 nan 0.000 0.488 195 G N 1.954 110.769 108.800 0.024 0.000 2.273 195 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.280 195 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.280 195 G C -0.059 174.860 174.900 0.031 0.000 1.047 195 G CA 0.210 45.326 45.100 0.027 0.000 0.869 195 G HN 0.494 nan 8.290 nan 0.000 0.502 196 L N -0.233 121.021 121.223 0.052 0.000 2.417 196 L HA 0.554 4.894 4.340 -0.000 0.000 0.268 196 L C 0.764 177.715 176.870 0.135 0.000 1.158 196 L CA -0.416 54.490 54.840 0.111 0.000 0.819 196 L CB 0.689 42.819 42.059 0.118 0.000 1.112 196 L HN 0.083 nan 8.230 nan 0.000 0.458 197 R N 3.217 123.809 120.500 0.154 0.000 2.625 197 R HA 0.250 4.590 4.340 -0.000 0.000 0.286 197 R C -0.730 175.438 176.300 -0.219 0.000 1.406 197 R CA -0.638 55.439 56.100 -0.038 0.000 1.052 197 R CB 1.249 31.423 30.300 -0.209 0.000 1.203 197 R HN 0.566 nan 8.270 nan 0.000 0.502 198 R N 2.597 122.901 120.500 -0.326 0.000 2.449 198 R HA 0.149 4.489 4.340 -0.000 0.000 0.296 198 R C -0.414 175.652 176.300 -0.389 0.000 1.047 198 R CA 0.110 55.790 56.100 -0.700 0.000 1.018 198 R CB 0.526 30.576 30.300 -0.416 0.000 0.962 198 R HN 0.271 nan 8.270 nan 0.000 0.428 199 R N 4.764 125.039 120.500 -0.375 0.000 2.807 199 R HA 0.474 4.814 4.340 -0.000 0.000 0.276 199 R C -2.520 173.675 176.300 -0.175 0.000 0.979 199 R CA -2.666 53.302 56.100 -0.219 0.000 0.928 199 R CB 1.290 31.496 30.300 -0.156 0.000 1.191 199 R HN 0.551 nan 8.270 nan 0.000 0.471 200 P HA 0.078 nan 4.420 nan 0.000 0.272 200 P C 0.748 177.899 177.300 -0.247 0.000 1.223 200 P CA -0.476 62.463 63.100 -0.268 0.000 0.784 200 P CB 0.825 32.273 31.700 -0.420 0.000 0.923 201 L N 2.238 123.425 121.223 -0.059 0.000 2.083 201 L HA -0.099 4.241 4.340 -0.000 0.000 0.209 201 L C 2.260 179.174 176.870 0.072 0.000 1.083 201 L CA 1.600 56.484 54.840 0.074 0.000 0.752 201 L CB -1.358 40.780 42.059 0.133 0.000 0.899 201 L HN 0.579 nan 8.230 nan 0.000 0.433 202 W N -0.832 120.514 121.300 0.077 0.000 2.468 202 W HA -0.116 4.544 4.660 -0.000 0.000 0.262 202 W C 1.244 177.748 176.519 -0.023 0.000 1.241 202 W CA 0.588 57.948 57.345 0.026 0.000 1.232 202 W CB -0.878 28.588 29.460 0.011 0.000 1.124 202 W HN 0.306 nan 8.180 nan 0.000 0.597 203 E N 0.150 120.037 120.200 -0.522 0.000 2.427 203 E HA -0.066 4.284 4.350 -0.000 0.000 0.196 203 E C 0.578 176.834 176.600 -0.573 0.000 1.028 203 E CA 0.669 56.698 56.400 -0.619 0.000 0.864 203 E CB -0.354 28.791 29.700 -0.924 0.000 0.813 203 E HN 0.286 nan 8.360 nan 0.000 0.514 204 F N 0.921 120.648 119.950 -0.372 0.000 2.647 204 F HA 0.142 4.669 4.527 -0.000 0.000 0.300 204 F C 0.917 176.436 175.800 -0.469 0.000 1.106 204 F CA -0.222 57.441 58.000 -0.562 0.000 1.313 204 F CB 0.567 39.010 39.000 -0.929 0.000 1.007 204 F HN -0.187 nan 8.300 nan 0.000 0.536 205 E N 1.394 121.544 120.200 -0.083 0.000 2.316 205 E HA 0.022 4.372 4.350 -0.000 0.000 0.275 205 E C 1.211 177.800 176.600 -0.018 0.000 1.029 205 E CA -0.025 56.371 56.400 -0.006 0.000 0.871 205 E CB 1.030 30.778 29.700 0.080 0.000 1.022 205 E HN 0.245 nan 8.360 nan 0.000 0.418 206 I N 4.855 125.435 120.570 0.018 0.000 2.226 206 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 206 I C 1.285 177.418 176.117 0.027 0.000 1.100 206 I CA 1.571 62.890 61.300 0.032 0.000 1.374 206 I CB -0.111 37.936 38.000 0.078 0.000 1.057 206 I HN 0.511 nan 8.210 nan 0.000 0.413 207 D N -0.429 119.991 120.400 0.034 0.000 2.117 207 D HA -0.136 4.504 4.640 -0.000 0.000 0.198 207 D C 2.165 178.476 176.300 0.017 0.000 0.982 207 D CA 1.748 55.765 54.000 0.028 0.000 0.828 207 D CB -0.402 40.416 40.800 0.030 0.000 0.967 207 D HN 0.324 nan 8.370 nan 0.000 0.464 208 T N 0.989 115.554 114.554 0.018 0.000 2.708 208 T HA -0.126 4.224 4.350 -0.000 0.000 0.266 208 T C 2.053 176.745 174.700 -0.013 0.000 1.037 208 T CA 1.594 63.701 62.100 0.012 0.000 1.146 208 T CB -0.301 68.591 68.868 0.040 0.000 0.865 208 T HN 0.192 nan 8.240 nan 0.000 0.435 209 A N 1.775 124.579 122.820 -0.028 0.000 1.883 209 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 209 A C 2.379 179.946 177.584 -0.030 0.000 1.186 209 A CA 1.676 53.684 52.037 -0.048 0.000 0.624 209 A CB -0.544 18.420 19.000 -0.060 0.000 0.822 209 A HN 0.420 nan 8.150 nan 0.000 0.444 210 R N -1.092 119.406 120.500 -0.003 0.000 2.073 210 R HA -0.148 4.192 4.340 -0.000 0.000 0.234 210 R C 2.608 178.910 176.300 0.003 0.000 1.134 210 R CA 1.415 57.525 56.100 0.016 0.000 0.952 210 R CB -0.354 29.966 30.300 0.033 0.000 0.850 210 R HN 0.714 nan 8.270 nan 0.000 0.433 211 Q N 0.658 120.456 119.800 -0.004 0.000 2.050 211 Q HA -0.201 4.139 4.340 -0.000 0.000 0.202 211 Q C 1.981 177.958 176.000 -0.038 0.000 0.980 211 Q CA 1.529 57.326 55.803 -0.010 0.000 0.840 211 Q CB 0.142 28.876 28.738 -0.007 0.000 0.898 211 Q HN 0.381 nan 8.270 nan 0.000 0.424 212 Q N 0.075 119.840 119.800 -0.057 0.000 2.079 212 Q HA -0.072 4.268 4.340 -0.000 0.000 0.200 212 Q C 2.371 178.262 176.000 -0.181 0.000 0.974 212 Q CA 0.880 56.624 55.803 -0.097 0.000 0.840 212 Q CB -0.127 28.560 28.738 -0.085 0.000 0.898 212 Q HN 0.413 nan 8.270 nan 0.000 0.430 213 L N 0.904 122.015 121.223 -0.186 0.000 2.056 213 L HA -0.173 4.167 4.340 -0.000 0.000 0.207 213 L C 2.152 178.781 176.870 -0.403 0.000 1.078 213 L CA 0.811 55.423 54.840 -0.380 0.000 0.749 213 L CB -0.462 41.501 42.059 -0.159 0.000 0.901 213 L HN 0.214 nan 8.230 nan 0.000 0.433 214 N N 0.111 118.760 118.700 -0.085 0.000 2.120 214 N HA -0.190 4.550 4.740 -0.000 0.000 0.188 214 N C 1.866 177.374 175.510 -0.003 0.000 1.024 214 N CA 1.235 54.315 53.050 0.049 0.000 0.852 214 N CB -0.222 38.311 38.487 0.076 0.000 1.003 214 N HN 0.156 nan 8.380 nan 0.000 0.424 215 L N 2.119 123.302 121.223 -0.067 0.000 1.989 215 L HA -0.212 4.128 4.340 -0.000 0.000 0.211 215 L C 2.502 179.314 176.870 -0.097 0.000 1.071 215 L CA 1.785 56.588 54.840 -0.062 0.000 0.749 215 L CB -1.017 41.000 42.059 -0.069 0.000 0.890 215 L HN 0.076 nan 8.230 nan 0.000 0.431 216 Q N -0.807 118.849 119.800 -0.241 0.000 2.112 216 Q HA -0.225 4.115 4.340 -0.000 0.000 0.206 216 Q C 1.730 177.655 176.000 -0.125 0.000 0.987 216 Q CA 2.230 57.857 55.803 -0.293 0.000 0.858 216 Q CB -0.379 28.016 28.738 -0.572 0.000 0.905 216 Q HN 0.540 nan 8.270 nan 0.000 0.420 217 F N -1.176 118.801 119.950 0.045 0.000 2.776 217 F HA 0.390 4.916 4.527 -0.000 0.000 0.300 217 F C 1.542 177.413 175.800 0.120 0.000 1.116 217 F CA 0.260 58.315 58.000 0.092 0.000 1.375 217 F CB -0.173 38.922 39.000 0.158 0.000 1.109 217 F HN 0.195 nan 8.300 nan 0.000 0.585 218 G N 1.591 110.520 108.800 0.215 0.000 2.221 218 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.265 218 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.265 218 G C 0.188 175.181 174.900 0.155 0.000 1.041 218 G CA 0.479 45.667 45.100 0.148 0.000 0.807 218 G HN 0.529 nan 8.290 nan 0.000 0.502 219 T N -3.563 111.107 114.554 0.194 0.000 2.932 219 T HA 0.726 5.076 4.350 -0.000 0.000 0.289 219 T C 1.262 176.029 174.700 0.111 0.000 1.039 219 T CA -0.195 62.002 62.100 0.162 0.000 1.024 219 T CB 1.758 70.778 68.868 0.254 0.000 1.090 219 T HN 0.494 nan 8.240 nan 0.000 0.496 220 R N 0.615 121.157 120.500 0.071 0.000 2.140 220 R HA 0.287 4.627 4.340 -0.000 0.000 0.213 220 R C -0.205 176.131 176.300 0.060 0.000 1.059 220 R CA 0.482 56.614 56.100 0.052 0.000 1.000 220 R CB -0.450 29.868 30.300 0.030 0.000 0.910 220 R HN 0.763 nan 8.270 nan 0.000 0.455 221 D N -0.766 119.672 120.400 0.063 0.000 2.610 221 D HA 0.195 4.834 4.640 -0.000 0.000 0.271 221 D C 0.024 176.390 176.300 0.111 0.000 1.174 221 D CA -0.928 53.117 54.000 0.076 0.000 0.949 221 D CB 0.866 41.690 40.800 0.040 0.000 1.430 221 D HN -0.038 nan 8.370 nan 0.000 0.467 222 L N 0.950 122.261 121.223 0.146 0.000 2.685 222 L HA 0.189 4.529 4.340 -0.000 0.000 0.233 222 L C 1.353 178.274 176.870 0.086 0.000 1.173 222 L CA -0.264 54.724 54.840 0.246 0.000 0.961 222 L CB 0.040 42.276 42.059 0.295 0.000 1.217 222 L HN 0.335 nan 8.230 nan 0.000 0.478 223 V N 0.865 120.766 119.914 -0.022 0.000 2.343 223 V HA -0.220 3.900 4.120 -0.000 0.000 0.247 223 V C 2.605 178.609 176.094 -0.151 0.000 1.051 223 V CA 2.252 64.517 62.300 -0.059 0.000 1.036 223 V CB -0.846 30.944 31.823 -0.054 0.000 0.654 223 V HN 0.651 nan 8.190 nan 0.000 0.451 224 G N -0.796 107.807 108.800 -0.328 0.000 2.479 224 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.220 224 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.220 224 G C 1.137 175.721 174.900 -0.526 0.000 1.115 224 G CA 0.691 45.501 45.100 -0.482 0.000 0.757 224 G HN 0.555 nan 8.290 nan 0.000 0.560 225 F N -0.025 119.874 119.950 -0.085 0.000 2.727 225 F HA 0.369 4.896 4.527 -0.000 0.000 0.302 225 F C 1.947 177.698 175.800 -0.082 0.000 1.097 225 F CA -0.445 57.483 58.000 -0.119 0.000 1.330 225 F CB 0.087 38.973 39.000 -0.191 0.000 1.084 225 F HN 0.184 nan 8.300 nan 0.000 0.578 226 G N 0.889 109.728 108.800 0.064 0.000 2.160 226 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.251 226 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.251 226 G C 0.702 175.633 174.900 0.052 0.000 1.008 226 G CA 0.589 45.711 45.100 0.037 0.000 0.724 226 G HN 0.659 nan 8.290 nan 0.000 0.514 227 V N -2.834 117.129 119.914 0.082 0.000 3.380 227 V HA 0.592 4.712 4.120 -0.000 0.000 0.307 227 V C 1.605 177.742 176.094 0.073 0.000 1.434 227 V CA 1.258 63.598 62.300 0.066 0.000 1.075 227 V CB 0.910 32.759 31.823 0.044 0.000 0.954 227 V HN 0.270 nan 8.190 nan 0.000 0.444 228 E N 3.723 123.966 120.200 0.071 0.000 2.204 228 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 228 E C 1.422 178.057 176.600 0.058 0.000 0.990 228 E CA 1.848 58.288 56.400 0.068 0.000 0.821 228 E CB -0.140 29.590 29.700 0.051 0.000 0.750 228 E HN 0.899 nan 8.360 nan 0.000 0.477 229 N N -0.166 118.565 118.700 0.051 0.000 2.467 229 N HA 0.187 4.927 4.740 -0.000 0.000 0.278 229 N C -0.835 174.709 175.510 0.057 0.000 1.306 229 N CA 0.268 53.348 53.050 0.049 0.000 0.905 229 N CB 0.870 39.379 38.487 0.037 0.000 1.236 229 N HN 0.108 nan 8.380 nan 0.000 0.509 230 A N 1.236 124.097 122.820 0.068 0.000 3.218 230 A HA 0.424 4.744 4.320 -0.000 0.000 0.321 230 A C -1.508 176.141 177.584 0.108 0.000 1.012 230 A CA -1.123 50.962 52.037 0.081 0.000 0.948 230 A CB 0.758 19.801 19.000 0.072 0.000 1.050 230 A HN 0.104 nan 8.150 nan 0.000 0.492 231 P HA -0.210 nan 4.420 nan 0.000 0.216 231 P C 1.436 178.878 177.300 0.236 0.000 1.153 231 P CA 1.003 64.192 63.100 0.148 0.000 0.848 231 P CB 0.136 31.917 31.700 0.136 0.000 0.787 232 R N -0.295 120.365 120.500 0.266 0.000 2.096 232 R HA -0.104 4.236 4.340 -0.000 0.000 0.240 232 R C 2.692 179.271 176.300 0.465 0.000 1.139 232 R CA 1.962 58.318 56.100 0.426 0.000 0.952 232 R CB -1.488 28.960 30.300 0.247 0.000 0.854 232 R HN 0.278 nan 8.270 nan 0.000 0.436 233 G N 1.000 109.968 108.800 0.279 0.000 2.402 233 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.216 233 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.216 233 G C 1.520 176.510 174.900 0.150 0.000 1.162 233 G CA 0.235 45.467 45.100 0.221 0.000 0.777 233 G HN 0.128 nan 8.290 nan 0.000 0.539 234 L N 0.134 121.424 121.223 0.111 0.000 2.083 234 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 234 L C 3.031 179.914 176.870 0.021 0.000 1.083 234 L CA 0.663 55.532 54.840 0.047 0.000 0.752 234 L CB -0.543 41.548 42.059 0.054 0.000 0.899 234 L HN 0.257 nan 8.230 nan 0.000 0.433 235 C N -0.276 119.053 119.300 0.049 0.000 2.413 235 C HA -0.183 4.276 4.460 -0.000 0.000 0.276 235 C C 3.151 178.052 174.990 -0.147 0.000 1.236 235 C CA 0.861 59.813 59.018 -0.110 0.000 1.735 235 C CB -1.014 26.562 27.740 -0.273 0.000 2.031 235 C HN 0.633 nan 8.230 nan 0.000 0.474 236 A N 0.301 123.148 122.820 0.045 0.000 1.898 236 A HA 0.092 4.412 4.320 -0.000 0.000 0.216 236 A C 2.349 179.928 177.584 -0.007 0.000 1.181 236 A CA 1.989 54.101 52.037 0.125 0.000 0.620 236 A CB -0.870 18.319 19.000 0.316 0.000 0.819 236 A HN 0.580 nan 8.150 nan 0.000 0.442 237 A N -0.559 122.272 122.820 0.018 0.000 1.972 237 A HA 0.150 4.470 4.320 -0.000 0.000 0.219 237 A C 2.324 179.951 177.584 0.071 0.000 1.169 237 A CA 1.836 53.920 52.037 0.079 0.000 0.635 237 A CB -1.163 17.782 19.000 -0.091 0.000 0.810 237 A HN 0.673 nan 8.150 nan 0.000 0.446 238 G N -1.192 107.567 108.800 -0.069 0.000 2.394 238 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.215 238 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.215 238 G C 1.765 176.529 174.900 -0.226 0.000 1.165 238 G CA 1.151 46.179 45.100 -0.120 0.000 0.784 238 G HN 0.602 nan 8.290 nan 0.000 0.535 239 C N 0.202 119.243 119.300 -0.432 0.000 2.432 239 C HA 0.073 4.532 4.460 -0.000 0.000 0.277 239 C C 2.735 177.519 174.990 -0.343 0.000 1.249 239 C CA 1.080 59.720 59.018 -0.630 0.000 1.725 239 C CB -1.093 25.803 27.740 -1.406 0.000 2.028 239 C HN 0.426 nan 8.230 nan 0.000 0.477 240 L N 0.328 121.415 121.223 -0.227 0.000 2.012 240 L HA -0.108 4.232 4.340 -0.000 0.000 0.210 240 L C 2.465 179.285 176.870 -0.084 0.000 1.073 240 L CA 2.092 56.866 54.840 -0.109 0.000 0.748 240 L CB -0.571 41.463 42.059 -0.041 0.000 0.891 240 L HN 0.483 nan 8.230 nan 0.000 0.431 241 L N -0.476 120.700 121.223 -0.078 0.000 2.056 241 L HA -0.219 4.121 4.340 -0.000 0.000 0.207 241 L C 2.599 179.403 176.870 -0.110 0.000 1.078 241 L CA 1.639 56.406 54.840 -0.123 0.000 0.749 241 L CB -0.717 41.306 42.059 -0.059 0.000 0.901 241 L HN 0.319 nan 8.230 nan 0.000 0.433 242 Q N -1.068 118.673 119.800 -0.097 0.000 2.077 242 Q HA -0.294 4.046 4.340 -0.000 0.000 0.206 242 Q C 2.248 178.218 176.000 -0.049 0.000 0.989 242 Q CA 2.409 58.165 55.803 -0.079 0.000 0.853 242 Q CB -0.769 27.916 28.738 -0.088 0.000 0.907 242 Q HN 0.652 nan 8.270 nan 0.000 0.418 243 Y N 0.829 121.027 120.300 -0.170 0.000 2.145 243 Y HA -0.238 4.312 4.550 -0.000 0.000 0.286 243 Y C 2.258 178.083 175.900 -0.126 0.000 1.145 243 Y CA 1.684 59.697 58.100 -0.144 0.000 1.148 243 Y CB -0.480 37.886 38.460 -0.156 0.000 0.981 243 Y HN 0.126 nan 8.280 nan 0.000 0.507 244 A N 0.209 122.986 122.820 -0.073 0.000 1.908 244 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 244 A C 2.192 179.663 177.584 -0.188 0.000 1.181 244 A CA 2.150 54.093 52.037 -0.157 0.000 0.627 244 A CB -0.598 18.307 19.000 -0.159 0.000 0.818 244 A HN 0.538 nan 8.150 nan 0.000 0.445 245 K N -0.776 119.530 120.400 -0.156 0.000 2.097 245 K HA -0.154 4.166 4.320 -0.000 0.000 0.205 245 K C 1.756 178.272 176.600 -0.139 0.000 1.050 245 K CA 1.433 57.642 56.287 -0.130 0.000 0.938 245 K CB -0.185 32.252 32.500 -0.105 0.000 0.718 245 K HN 0.561 nan 8.250 nan 0.000 0.442 246 D N 0.028 120.323 120.400 -0.175 0.000 2.178 246 D HA -0.125 4.514 4.640 -0.000 0.000 0.202 246 D C 1.836 177.999 176.300 -0.229 0.000 0.974 246 D CA 1.605 55.499 54.000 -0.177 0.000 0.841 246 D CB 0.131 40.829 40.800 -0.170 0.000 0.953 246 D HN 0.257 nan 8.370 nan 0.000 0.478 247 T N -2.676 111.676 114.554 -0.337 0.000 2.985 247 T HA -0.076 4.274 4.350 -0.000 0.000 0.266 247 T C 1.684 176.271 174.700 -0.188 0.000 1.076 247 T CA 0.620 62.535 62.100 -0.309 0.000 1.135 247 T CB -0.059 68.574 68.868 -0.391 0.000 0.890 247 T HN 0.031 nan 8.240 nan 0.000 0.480 248 Q N 0.328 120.036 119.800 -0.154 0.000 2.297 248 Q HA 0.218 4.558 4.340 -0.000 0.000 0.203 248 Q C 0.570 176.523 176.000 -0.078 0.000 0.931 248 Q CA 0.146 55.887 55.803 -0.103 0.000 0.885 248 Q CB -0.010 28.678 28.738 -0.082 0.000 0.991 248 Q HN 0.440 nan 8.270 nan 0.000 0.498 249 R N 0.722 121.175 120.500 -0.080 0.000 3.405 249 R HA -0.118 4.222 4.340 -0.000 0.000 0.258 249 R C -0.634 175.642 176.300 -0.040 0.000 1.030 249 R CA 0.750 56.817 56.100 -0.055 0.000 0.691 249 R CB -2.820 27.452 30.300 -0.046 0.000 1.093 249 R HN 0.203 nan 8.270 nan 0.000 0.448 250 T N -0.588 113.940 114.554 -0.043 0.000 2.889 250 T HA 0.279 4.629 4.350 -0.000 0.000 0.315 250 T C -0.087 174.595 174.700 -0.029 0.000 1.291 250 T CA -0.066 62.016 62.100 -0.030 0.000 1.028 250 T CB 2.120 70.971 68.868 -0.029 0.000 1.235 250 T HN 0.257 nan 8.240 nan 0.000 0.491 251 T N 1.098 115.640 114.554 -0.020 0.000 2.906 251 T HA 0.417 4.766 4.350 -0.000 0.000 0.320 251 T C 0.152 174.854 174.700 0.003 0.000 1.088 251 T CA -0.358 61.733 62.100 -0.017 0.000 1.120 251 T CB -0.024 68.840 68.868 -0.007 0.000 1.000 251 T HN 0.427 nan 8.240 nan 0.000 0.550 252 L N 3.206 124.425 121.223 -0.006 0.000 2.581 252 L HA 0.297 4.637 4.340 -0.000 0.000 0.241 252 L C -1.586 175.292 176.870 0.012 0.000 1.265 252 L CA -1.919 52.936 54.840 0.025 0.000 0.954 252 L CB 1.296 43.288 42.059 -0.112 0.000 1.269 252 L HN 0.531 nan 8.230 nan 0.000 0.475 253 P HA -0.157 nan 4.420 nan 0.000 0.226 253 P C 1.136 178.502 177.300 0.110 0.000 1.153 253 P CA 1.159 64.307 63.100 0.080 0.000 0.777 253 P CB -0.084 31.655 31.700 0.066 0.000 0.794 254 H N -0.504 118.561 119.070 -0.007 0.000 2.547 254 H HA 0.119 4.675 4.556 -0.000 0.000 0.272 254 H C 0.652 175.996 175.328 0.028 0.000 0.989 254 H CA -0.024 56.026 56.048 0.003 0.000 1.214 254 H CB -1.015 28.733 29.762 -0.024 0.000 1.389 254 H HN 0.162 nan 8.280 nan 0.000 0.577 255 I N 3.495 123.854 120.570 -0.351 0.000 2.276 255 I HA 0.167 4.337 4.170 -0.000 0.000 0.290 255 I C 1.009 177.202 176.117 0.126 0.000 1.109 255 I CA -0.200 60.995 61.300 -0.174 0.000 1.229 255 I CB 0.454 38.273 38.000 -0.301 0.000 1.452 255 I HN 0.219 nan 8.210 nan 0.000 0.497 256 R N 2.374 122.950 120.500 0.127 0.000 2.476 256 R HA 0.415 4.755 4.340 -0.000 0.000 0.276 256 R C 0.178 176.382 176.300 -0.160 0.000 0.941 256 R CA -0.267 55.932 56.100 0.164 0.000 1.088 256 R CB 0.766 31.134 30.300 0.114 0.000 1.216 256 R HN 0.378 nan 8.270 nan 0.000 0.533 257 S N 0.183 115.614 115.700 -0.448 0.000 2.547 257 S HA 0.583 5.053 4.470 -0.000 0.000 0.270 257 S C -1.778 172.288 174.600 -0.891 0.000 1.150 257 S CA -0.760 56.859 58.200 -0.968 0.000 0.850 257 S CB 1.756 64.769 63.200 -0.312 0.000 1.118 257 S HN 0.296 nan 8.310 nan 0.000 0.461 258 I N 1.723 121.578 120.570 -1.192 0.000 2.865 258 I HA 0.698 4.868 4.170 -0.000 0.000 0.302 258 I C -1.221 174.683 176.117 -0.354 0.000 1.140 258 I CA -0.145 60.761 61.300 -0.657 0.000 1.021 258 I CB 2.435 39.958 38.000 -0.794 0.000 1.233 258 I HN 0.636 nan 8.210 nan 0.000 0.427 259 T N 6.626 121.063 114.554 -0.195 0.000 2.912 259 T HA 0.420 4.770 4.350 -0.000 0.000 0.299 259 T C -0.810 173.858 174.700 -0.055 0.000 1.052 259 T CA -0.462 61.594 62.100 -0.072 0.000 0.996 259 T CB 1.705 70.556 68.868 -0.028 0.000 1.070 259 T HN 0.557 nan 8.240 nan 0.000 0.465 260 M N 2.273 121.863 119.600 -0.018 0.000 2.264 260 M HA 0.413 4.893 4.480 -0.000 0.000 0.352 260 M C -0.588 175.719 176.300 0.012 0.000 1.173 260 M CA -0.349 54.951 55.300 0.000 0.000 1.075 260 M CB 0.897 33.505 32.600 0.013 0.000 1.621 260 M HN 0.523 nan 8.290 nan 0.000 0.457 261 E N 4.159 124.376 120.200 0.027 0.000 2.081 261 E HA 0.307 4.657 4.350 -0.000 0.000 0.276 261 E C -1.173 175.444 176.600 0.029 0.000 0.950 261 E CA -0.381 56.037 56.400 0.030 0.000 0.776 261 E CB 1.190 30.920 29.700 0.050 0.000 1.094 261 E HN 0.567 nan 8.360 nan 0.000 0.402 262 R N 1.988 122.495 120.500 0.012 0.000 2.368 262 R HA 0.080 4.420 4.340 -0.000 0.000 0.302 262 R C 1.174 177.471 176.300 -0.005 0.000 1.002 262 R CA -0.331 55.773 56.100 0.007 0.000 0.929 262 R CB 1.013 31.311 30.300 -0.002 0.000 1.073 262 R HN 0.612 nan 8.270 nan 0.000 0.464 263 E N 2.496 122.694 120.200 -0.003 0.000 2.114 263 E HA -0.356 3.993 4.350 -0.000 0.000 0.199 263 E C 1.402 177.980 176.600 -0.037 0.000 1.008 263 E CA 1.904 58.295 56.400 -0.016 0.000 0.810 263 E CB 0.233 29.928 29.700 -0.008 0.000 0.739 263 E HN 0.642 nan 8.360 nan 0.000 0.456 264 Q N -0.111 119.664 119.800 -0.041 0.000 2.436 264 Q HA -0.150 4.190 4.340 -0.000 0.000 0.209 264 Q C 0.701 176.655 176.000 -0.076 0.000 0.965 264 Q CA 1.286 57.050 55.803 -0.065 0.000 0.910 264 Q CB 0.126 28.825 28.738 -0.065 0.000 0.980 264 Q HN 0.310 nan 8.270 nan 0.000 0.491 265 D N 1.563 121.928 120.400 -0.059 0.000 2.317 265 D HA -0.004 4.636 4.640 -0.000 0.000 0.211 265 D C 0.572 176.831 176.300 -0.069 0.000 0.966 265 D CA 0.886 54.849 54.000 -0.062 0.000 0.876 265 D CB 0.380 41.153 40.800 -0.045 0.000 0.927 265 D HN 0.382 nan 8.370 nan 0.000 0.519 266 S N -0.558 115.101 115.700 -0.068 0.000 2.570 266 S HA 0.517 4.987 4.470 -0.000 0.000 0.286 266 S C -0.374 174.169 174.600 -0.095 0.000 1.099 266 S CA -0.954 57.206 58.200 -0.067 0.000 0.913 266 S CB 1.887 65.066 63.200 -0.035 0.000 1.085 266 S HN -0.036 nan 8.310 nan 0.000 0.480 267 I N 2.333 122.838 120.570 -0.108 0.000 2.436 267 I HA 0.176 4.346 4.170 -0.000 0.000 0.289 267 I C -0.189 175.861 176.117 -0.112 0.000 1.083 267 I CA -0.336 60.881 61.300 -0.139 0.000 1.372 267 I CB 0.210 38.116 38.000 -0.157 0.000 1.408 267 I HN 0.561 nan 8.210 nan 0.000 0.516 268 I N 7.793 128.284 120.570 -0.131 0.000 2.556 268 I HA 0.131 4.301 4.170 -0.000 0.000 0.284 268 I C 0.162 176.162 176.117 -0.195 0.000 1.114 268 I CA 0.600 61.818 61.300 -0.137 0.000 1.418 268 I CB 0.375 38.295 38.000 -0.133 0.000 1.394 268 I HN 0.470 nan 8.210 nan 0.000 0.552 269 M N 5.705 125.217 119.600 -0.146 0.000 2.213 269 M HA 0.261 4.741 4.480 -0.000 0.000 0.286 269 M C -1.024 175.211 176.300 -0.109 0.000 1.008 269 M CA -0.950 54.257 55.300 -0.155 0.000 0.937 269 M CB 1.995 34.547 32.600 -0.079 0.000 1.600 269 M HN 0.543 nan 8.290 nan 0.000 0.450 270 D N 1.857 122.182 120.400 -0.125 0.000 2.377 270 D HA 0.448 5.088 4.640 -0.000 0.000 0.245 270 D C 1.035 177.318 176.300 -0.029 0.000 1.196 270 D CA -0.496 53.467 54.000 -0.063 0.000 0.962 270 D CB 0.782 41.566 40.800 -0.028 0.000 1.127 270 D HN 0.582 nan 8.370 nan 0.000 0.471 271 A N 0.562 123.370 122.820 -0.020 0.000 1.908 271 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 271 A C 2.196 179.786 177.584 0.010 0.000 1.181 271 A CA 2.261 54.294 52.037 -0.007 0.000 0.627 271 A CB -1.455 17.535 19.000 -0.017 0.000 0.818 271 A HN 0.700 nan 8.150 nan 0.000 0.445 272 A N -1.170 121.658 122.820 0.014 0.000 1.902 272 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 272 A C 2.318 179.919 177.584 0.029 0.000 1.181 272 A CA 2.352 54.404 52.037 0.025 0.000 0.623 272 A CB -1.261 17.758 19.000 0.032 0.000 0.818 272 A HN 0.432 nan 8.150 nan 0.000 0.443 273 T N -0.950 113.617 114.554 0.022 0.000 2.708 273 T HA -0.135 4.215 4.350 -0.000 0.000 0.266 273 T C 2.091 176.802 174.700 0.018 0.000 1.037 273 T CA 1.497 63.605 62.100 0.014 0.000 1.146 273 T CB -0.218 68.634 68.868 -0.026 0.000 0.865 273 T HN 0.516 nan 8.240 nan 0.000 0.435 274 R N 0.658 121.173 120.500 0.026 0.000 2.096 274 R HA -0.072 4.268 4.340 -0.000 0.000 0.240 274 R C 2.707 179.050 176.300 0.071 0.000 1.139 274 R CA 1.483 57.623 56.100 0.066 0.000 0.952 274 R CB -0.065 30.295 30.300 0.100 0.000 0.854 274 R HN 0.304 nan 8.270 nan 0.000 0.436 275 R N -0.194 120.340 120.500 0.057 0.000 2.073 275 R HA -0.072 4.268 4.340 -0.000 0.000 0.234 275 R C 1.923 178.251 176.300 0.047 0.000 1.134 275 R CA 1.504 57.635 56.100 0.052 0.000 0.952 275 R CB -0.373 29.950 30.300 0.038 0.000 0.850 275 R HN 0.285 nan 8.270 nan 0.000 0.433 276 N N 0.710 119.434 118.700 0.041 0.000 2.381 276 N HA -0.081 4.659 4.740 -0.000 0.000 0.182 276 N C 1.560 177.100 175.510 0.049 0.000 1.025 276 N CA 0.899 53.975 53.050 0.042 0.000 0.888 276 N CB 0.026 38.536 38.487 0.039 0.000 0.965 276 N HN 0.236 nan 8.380 nan 0.000 0.438 277 L N 0.500 121.747 121.223 0.040 0.000 2.567 277 L HA 0.121 4.461 4.340 -0.000 0.000 0.225 277 L C -0.181 176.712 176.870 0.037 0.000 1.119 277 L CA 0.114 54.974 54.840 0.033 0.000 0.871 277 L CB -0.226 41.832 42.059 -0.001 0.000 1.036 277 L HN 0.087 nan 8.230 nan 0.000 0.459 278 E N 0.181 120.408 120.200 0.045 0.000 2.230 278 E HA -0.258 4.092 4.350 -0.000 0.000 0.206 278 E C 0.941 177.558 176.600 0.027 0.000 1.309 278 E CA 0.062 56.492 56.400 0.050 0.000 0.697 278 E CB -1.357 28.380 29.700 0.063 0.000 1.146 278 E HN 0.529 nan 8.360 nan 0.000 0.363 279 I N -0.195 120.372 120.570 -0.006 0.000 2.162 279 I HA -0.201 3.969 4.170 -0.000 0.000 0.238 279 I C 2.498 178.587 176.117 -0.047 0.000 1.076 279 I CA 2.088 63.329 61.300 -0.100 0.000 1.353 279 I CB -0.237 37.559 38.000 -0.340 0.000 1.063 279 I HN 0.400 nan 8.210 nan 0.000 0.408 280 T N -3.246 111.340 114.554 0.054 0.000 2.955 280 T HA 0.107 4.457 4.350 -0.000 0.000 0.251 280 T C 0.541 175.297 174.700 0.093 0.000 1.002 280 T CA -0.354 61.811 62.100 0.108 0.000 0.970 280 T CB 0.206 69.211 68.868 0.228 0.000 1.091 280 T HN 0.300 nan 8.240 nan 0.000 0.495 281 Q N 1.998 121.856 119.800 0.098 0.000 2.356 281 Q HA 0.508 4.848 4.340 -0.000 0.000 0.270 281 Q C -1.219 174.815 176.000 0.058 0.000 1.058 281 Q CA -0.991 54.853 55.803 0.069 0.000 0.802 281 Q CB 1.646 30.424 28.738 0.066 0.000 1.303 281 Q HN 0.349 nan 8.270 nan 0.000 0.444 282 N N 2.389 121.116 118.700 0.045 0.000 2.379 282 N HA 0.121 4.861 4.740 -0.000 0.000 0.260 282 N C 0.549 176.082 175.510 0.037 0.000 1.254 282 N CA -0.467 52.607 53.050 0.041 0.000 0.958 282 N CB 0.501 39.009 38.487 0.035 0.000 1.208 282 N HN 0.770 nan 8.380 nan 0.000 0.532 283 L N -1.340 119.904 121.223 0.034 0.000 2.265 283 L HA -0.069 4.271 4.340 -0.000 0.000 0.215 283 L C 2.039 178.923 176.870 0.024 0.000 1.117 283 L CA 1.348 56.206 54.840 0.029 0.000 0.782 283 L CB -0.569 41.506 42.059 0.027 0.000 0.914 283 L HN 0.824 nan 8.230 nan 0.000 0.441 284 A N -0.996 121.838 122.820 0.023 0.000 2.178 284 A HA 0.323 4.643 4.320 -0.000 0.000 0.211 284 A C 1.807 179.403 177.584 0.020 0.000 1.157 284 A CA 0.902 52.951 52.037 0.020 0.000 0.780 284 A CB -0.037 18.974 19.000 0.018 0.000 0.828 284 A HN 0.484 nan 8.150 nan 0.000 0.476 285 G N -2.308 106.506 108.800 0.023 0.000 2.231 285 G HA2 0.006 3.966 3.960 -0.000 0.000 0.206 285 G HA3 0.006 3.966 3.960 -0.000 0.000 0.206 285 G C 0.780 175.694 174.900 0.023 0.000 0.996 285 G CA 0.138 45.251 45.100 0.023 0.000 0.645 285 G HN 1.252 nan 8.290 nan 0.000 0.498 286 G N -0.501 108.313 108.800 0.023 0.000 2.563 286 G HA2 0.666 4.626 3.960 -0.000 0.000 0.283 286 G HA3 0.666 4.626 3.960 -0.000 0.000 0.283 286 G C 1.043 175.959 174.900 0.027 0.000 1.309 286 G CA 0.601 45.714 45.100 0.022 0.000 1.022 286 G HN 1.285 nan 8.290 nan 0.000 0.501 287 A N -1.335 121.499 122.820 0.024 0.000 2.343 287 A HA 0.373 4.693 4.320 -0.000 0.000 0.223 287 A C 0.894 178.493 177.584 0.026 0.000 1.214 287 A CA 0.185 52.239 52.037 0.027 0.000 0.900 287 A CB 0.087 19.101 19.000 0.023 0.000 0.942 287 A HN 0.440 nan 8.150 nan 0.000 0.507 288 E N -0.161 120.053 120.200 0.023 0.000 2.314 288 E HA 0.181 4.531 4.350 -0.000 0.000 0.262 288 E C -0.067 176.550 176.600 0.028 0.000 1.093 288 E CA -0.373 56.041 56.400 0.022 0.000 0.908 288 E CB 0.329 30.040 29.700 0.018 0.000 1.091 288 E HN 0.269 nan 8.360 nan 0.000 0.425 289 N N -0.347 118.370 118.700 0.029 0.000 2.747 289 N HA -0.170 4.570 4.740 -0.000 0.000 0.249 289 N C -1.003 174.536 175.510 0.048 0.000 1.107 289 N CA 1.283 54.354 53.050 0.035 0.000 0.707 289 N CB -0.991 37.512 38.487 0.028 0.000 1.054 289 N HN 0.583 nan 8.380 nan 0.000 0.555 290 T N -4.319 110.263 114.554 0.047 0.000 2.949 290 T HA 0.525 4.875 4.350 -0.000 0.000 0.287 290 T C 1.274 176.003 174.700 0.049 0.000 1.034 290 T CA -0.503 61.627 62.100 0.050 0.000 1.018 290 T CB 1.361 70.253 68.868 0.040 0.000 1.135 290 T HN 0.022 nan 8.240 nan 0.000 0.532 291 L N 1.250 122.494 121.223 0.034 0.000 2.083 291 L HA 0.147 4.487 4.340 -0.000 0.000 0.209 291 L C 2.691 179.575 176.870 0.022 0.000 1.083 291 L CA 2.399 57.251 54.840 0.020 0.000 0.752 291 L CB -1.333 40.715 42.059 -0.020 0.000 0.899 291 L HN 0.928 nan 8.230 nan 0.000 0.433 292 A N -1.012 121.817 122.820 0.014 0.000 1.930 292 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 292 A C 2.463 180.059 177.584 0.020 0.000 1.175 292 A CA 1.680 53.727 52.037 0.016 0.000 0.627 292 A CB -1.044 17.967 19.000 0.018 0.000 0.815 292 A HN 0.649 nan 8.150 nan 0.000 0.443 293 S N -0.501 115.214 115.700 0.024 0.000 2.419 293 S HA -0.088 4.382 4.470 -0.000 0.000 0.233 293 S C 1.627 176.240 174.600 0.021 0.000 1.016 293 S CA 1.466 59.679 58.200 0.021 0.000 0.974 293 S CB -0.566 62.648 63.200 0.023 0.000 0.786 293 S HN 0.245 nan 8.310 nan 0.000 0.492 294 V N 1.363 121.296 119.914 0.032 0.000 2.426 294 V HA 0.156 4.276 4.120 -0.000 0.000 0.242 294 V C 2.420 178.536 176.094 0.036 0.000 1.036 294 V CA 1.095 63.417 62.300 0.037 0.000 1.044 294 V CB -0.595 31.265 31.823 0.061 0.000 0.688 294 V HN 0.436 nan 8.190 nan 0.000 0.462 295 L N -0.192 121.060 121.223 0.049 0.000 2.270 295 L HA 0.093 4.433 4.340 -0.000 0.000 0.210 295 L C 0.882 177.764 176.870 0.019 0.000 1.104 295 L CA 0.666 55.539 54.840 0.055 0.000 0.804 295 L CB -0.156 41.949 42.059 0.078 0.000 0.937 295 L HN 0.312 nan 8.230 nan 0.000 0.450 296 D N -0.194 120.209 120.400 0.006 0.000 2.522 296 D HA 0.102 4.742 4.640 -0.000 0.000 0.218 296 D C -0.126 176.165 176.300 -0.017 0.000 1.149 296 D CA -0.153 53.839 54.000 -0.013 0.000 0.981 296 D CB 0.242 41.033 40.800 -0.014 0.000 1.041 296 D HN 0.069 nan 8.370 nan 0.000 0.518 297 C N 3.268 122.555 119.300 -0.022 0.000 2.395 297 C HA 0.225 4.685 4.460 -0.000 0.000 0.315 297 C C 0.982 175.954 174.990 -0.031 0.000 1.399 297 C CA -0.600 58.404 59.018 -0.023 0.000 1.788 297 C CB -1.869 25.858 27.740 -0.022 0.000 2.564 297 C HN 0.598 nan 8.230 nan 0.000 0.552 298 T N -1.229 113.299 114.554 -0.042 0.000 2.795 298 T HA 0.239 4.589 4.350 -0.000 0.000 0.314 298 T C 1.165 175.841 174.700 -0.038 0.000 1.069 298 T CA 0.364 62.433 62.100 -0.052 0.000 1.071 298 T CB 0.991 69.814 68.868 -0.075 0.000 0.988 298 T HN 0.514 nan 8.240 nan 0.000 0.543 299 V N -2.082 117.810 119.914 -0.037 0.000 3.621 299 V HA 0.291 4.410 4.120 -0.000 0.000 0.263 299 V C 0.973 177.052 176.094 -0.025 0.000 1.272 299 V CA 0.471 62.756 62.300 -0.026 0.000 1.080 299 V CB -0.813 30.999 31.823 -0.018 0.000 0.816 299 V HN 1.186 nan 8.190 nan 0.000 0.451 300 T N -2.933 111.601 114.554 -0.034 0.000 2.925 300 T HA 0.615 4.965 4.350 -0.000 0.000 0.285 300 T C -1.938 172.738 174.700 -0.040 0.000 1.021 300 T CA -1.716 60.364 62.100 -0.033 0.000 1.042 300 T CB 1.825 70.672 68.868 -0.035 0.000 1.037 300 T HN 0.033 nan 8.240 nan 0.000 0.481 301 P HA -0.079 nan 4.420 nan 0.000 0.217 301 P C 1.946 179.221 177.300 -0.042 0.000 1.150 301 P CA 1.191 64.269 63.100 -0.036 0.000 0.832 301 P CB -0.193 31.488 31.700 -0.031 0.000 0.787 302 M N -2.326 117.248 119.600 -0.043 0.000 2.159 302 M HA 0.020 4.500 4.480 -0.000 0.000 0.263 302 M C 2.123 178.380 176.300 -0.072 0.000 1.063 302 M CA 2.412 57.685 55.300 -0.046 0.000 1.110 302 M CB -1.856 30.722 32.600 -0.037 0.000 1.374 302 M HN -0.179 nan 8.290 nan 0.000 0.411 303 G N 0.355 109.105 108.800 -0.083 0.000 2.418 303 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.217 303 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.217 303 G C 1.606 176.418 174.900 -0.146 0.000 1.158 303 G CA 1.114 46.136 45.100 -0.129 0.000 0.771 303 G HN 0.550 nan 8.290 nan 0.000 0.545 304 S N 0.214 115.856 115.700 -0.096 0.000 2.370 304 S HA -0.125 4.345 4.470 -0.000 0.000 0.226 304 S C 2.489 177.044 174.600 -0.075 0.000 1.033 304 S CA 1.538 59.691 58.200 -0.079 0.000 1.011 304 S CB -0.231 62.941 63.200 -0.047 0.000 0.852 304 S HN 0.458 nan 8.310 nan 0.000 0.457 305 R N 0.025 120.487 120.500 -0.063 0.000 2.092 305 R HA 0.031 4.371 4.340 -0.000 0.000 0.231 305 R C 2.592 178.857 176.300 -0.058 0.000 1.119 305 R CA 1.558 57.635 56.100 -0.037 0.000 0.970 305 R CB -0.373 29.914 30.300 -0.022 0.000 0.864 305 R HN 0.513 nan 8.270 nan 0.000 0.440 306 M N 0.743 120.266 119.600 -0.129 0.000 2.132 306 M HA -0.152 4.328 4.480 -0.000 0.000 0.263 306 M C 2.100 178.143 176.300 -0.429 0.000 1.065 306 M CA 1.430 56.593 55.300 -0.228 0.000 1.122 306 M CB -0.059 32.361 32.600 -0.300 0.000 1.365 306 M HN 0.161 nan 8.290 nan 0.000 0.411 307 L N 0.934 121.898 121.223 -0.431 0.000 2.012 307 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 307 L C 2.038 178.863 176.870 -0.075 0.000 1.073 307 L CA 2.021 56.645 54.840 -0.361 0.000 0.748 307 L CB -0.689 41.232 42.059 -0.231 0.000 0.891 307 L HN 0.247 nan 8.230 nan 0.000 0.431 308 K N -0.994 119.394 120.400 -0.020 0.000 2.147 308 K HA -0.125 4.195 4.320 -0.000 0.000 0.205 308 K C 2.188 178.905 176.600 0.196 0.000 1.049 308 K CA 1.238 57.580 56.287 0.091 0.000 0.936 308 K CB -0.124 32.433 32.500 0.095 0.000 0.722 308 K HN 0.365 nan 8.250 nan 0.000 0.446 309 R N -0.206 120.394 120.500 0.167 0.000 2.066 309 R HA -0.131 4.208 4.340 -0.000 0.000 0.232 309 R C 2.061 178.581 176.300 0.366 0.000 1.131 309 R CA 1.485 57.733 56.100 0.247 0.000 0.955 309 R CB -0.236 30.200 30.300 0.226 0.000 0.851 309 R HN 0.269 nan 8.270 nan 0.000 0.432 310 W N 1.221 122.563 121.300 0.071 0.000 2.338 310 W HA -0.114 4.546 4.660 -0.000 0.000 0.304 310 W C 2.007 178.555 176.519 0.048 0.000 1.212 310 W CA 0.744 58.123 57.345 0.058 0.000 1.264 310 W CB -0.928 28.561 29.460 0.048 0.000 1.142 310 W HN 0.072 nan 8.180 nan 0.000 0.512 311 L N -1.199 120.178 121.223 0.256 0.000 2.141 311 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 311 L C 2.373 179.233 176.870 -0.017 0.000 1.094 311 L CA 1.099 55.986 54.840 0.078 0.000 0.763 311 L CB -0.831 41.212 42.059 -0.027 0.000 0.908 311 L HN 0.081 nan 8.230 nan 0.000 0.437 312 H N -1.487 117.646 119.070 0.105 0.000 2.551 312 H HA 0.199 4.755 4.556 -0.000 0.000 0.266 312 H C 0.599 175.961 175.328 0.058 0.000 0.964 312 H CA 0.535 56.624 56.048 0.068 0.000 1.180 312 H CB 0.626 30.425 29.762 0.061 0.000 1.408 312 H HN 0.238 nan 8.280 nan 0.000 0.563 313 M N 1.910 121.615 119.600 0.175 0.000 2.126 313 M HA 0.254 4.734 4.480 -0.000 0.000 0.217 313 M C -2.734 173.600 176.300 0.057 0.000 0.873 313 M CA -1.726 53.634 55.300 0.100 0.000 0.707 313 M CB 1.950 34.608 32.600 0.096 0.000 1.515 313 M HN -0.195 nan 8.290 nan 0.000 0.369 314 P HA 0.098 nan 4.420 nan 0.000 0.271 314 P C -0.707 176.597 177.300 0.006 0.000 1.216 314 P CA -0.226 62.902 63.100 0.047 0.000 0.776 314 P CB 0.929 32.677 31.700 0.080 0.000 0.881 315 V N 4.398 124.315 119.914 0.004 0.000 2.532 315 V HA 0.332 4.452 4.120 -0.000 0.000 0.295 315 V C 0.981 177.081 176.094 0.011 0.000 1.041 315 V CA -0.458 61.820 62.300 -0.038 0.000 0.926 315 V CB 1.267 33.028 31.823 -0.103 0.000 0.992 315 V HN 0.435 nan 8.190 nan 0.000 0.457 316 R N 2.295 122.759 120.500 -0.059 0.000 2.280 316 R HA 0.167 4.507 4.340 -0.000 0.000 0.195 316 R C -0.023 176.228 176.300 -0.083 0.000 0.935 316 R CA 0.152 56.200 56.100 -0.086 0.000 1.033 316 R CB 0.094 30.296 30.300 -0.163 0.000 0.964 316 R HN 0.842 nan 8.270 nan 0.000 0.489 317 D N 1.295 121.637 120.400 -0.096 0.000 2.344 317 D HA -0.034 4.606 4.640 -0.000 0.000 0.253 317 D C 1.142 177.341 176.300 -0.168 0.000 1.255 317 D CA 0.131 54.061 54.000 -0.117 0.000 0.894 317 D CB 1.254 41.995 40.800 -0.098 0.000 1.067 317 D HN 0.126 nan 8.370 nan 0.000 0.492 318 T N 1.581 115.989 114.554 -0.244 0.000 2.962 318 T HA -0.143 4.207 4.350 -0.000 0.000 0.270 318 T C 1.807 176.388 174.700 -0.199 0.000 1.088 318 T CA 0.672 62.531 62.100 -0.401 0.000 1.127 318 T CB -0.052 68.470 68.868 -0.577 0.000 0.883 318 T HN 0.336 nan 8.240 nan 0.000 0.493 319 R N 0.565 120.991 120.500 -0.123 0.000 2.083 319 R HA -0.027 4.313 4.340 -0.000 0.000 0.237 319 R C 2.559 178.821 176.300 -0.064 0.000 1.137 319 R CA 1.477 57.536 56.100 -0.069 0.000 0.951 319 R CB -0.929 29.337 30.300 -0.055 0.000 0.851 319 R HN 0.290 nan 8.270 nan 0.000 0.434 320 V N 1.443 121.304 119.914 -0.088 0.000 2.407 320 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 320 V C 2.258 178.300 176.094 -0.085 0.000 1.055 320 V CA 1.647 63.890 62.300 -0.096 0.000 1.049 320 V CB -0.383 31.358 31.823 -0.136 0.000 0.662 320 V HN 0.286 nan 8.190 nan 0.000 0.455 321 L N -0.982 120.186 121.223 -0.092 0.000 2.027 321 L HA -0.147 4.193 4.340 -0.000 0.000 0.206 321 L C 2.395 179.311 176.870 0.076 0.000 1.074 321 L CA 1.390 56.212 54.840 -0.030 0.000 0.745 321 L CB -0.546 41.455 42.059 -0.097 0.000 0.898 321 L HN 0.275 nan 8.230 nan 0.000 0.433 322 L N -0.352 120.920 121.223 0.081 0.000 2.079 322 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 322 L C 2.533 179.450 176.870 0.078 0.000 1.081 322 L CA 1.375 56.283 54.840 0.112 0.000 0.752 322 L CB -0.492 41.620 42.059 0.088 0.000 0.896 322 L HN 0.307 nan 8.230 nan 0.000 0.433 323 E N -0.296 119.929 120.200 0.041 0.000 2.072 323 E HA -0.193 4.157 4.350 -0.000 0.000 0.191 323 E C 2.387 179.022 176.600 0.057 0.000 0.985 323 E CA 0.874 57.297 56.400 0.037 0.000 0.801 323 E CB 0.023 29.730 29.700 0.011 0.000 0.750 323 E HN 0.395 nan 8.360 nan 0.000 0.452 324 R N 0.615 121.147 120.500 0.053 0.000 2.073 324 R HA -0.161 4.179 4.340 -0.000 0.000 0.234 324 R C 2.465 178.845 176.300 0.135 0.000 1.134 324 R CA 1.447 57.601 56.100 0.090 0.000 0.952 324 R CB -0.185 30.148 30.300 0.055 0.000 0.850 324 R HN 0.236 nan 8.270 nan 0.000 0.433 325 Q N 0.413 120.313 119.800 0.166 0.000 2.061 325 Q HA -0.244 4.096 4.340 -0.000 0.000 0.204 325 Q C 2.186 178.324 176.000 0.229 0.000 0.984 325 Q CA 1.677 57.639 55.803 0.266 0.000 0.846 325 Q CB -0.076 28.799 28.738 0.230 0.000 0.902 325 Q HN 0.436 nan 8.270 nan 0.000 0.421 326 Q N -0.495 119.392 119.800 0.145 0.000 2.119 326 Q HA -0.114 4.226 4.340 -0.000 0.000 0.201 326 Q C 2.079 178.128 176.000 0.082 0.000 0.972 326 Q CA 1.629 57.499 55.803 0.111 0.000 0.847 326 Q CB 0.085 28.869 28.738 0.076 0.000 0.903 326 Q HN 0.335 nan 8.270 nan 0.000 0.433 327 T N 0.888 115.484 114.554 0.069 0.000 2.777 327 T HA -0.100 4.250 4.350 -0.000 0.000 0.266 327 T C 1.798 176.510 174.700 0.021 0.000 1.040 327 T CA 0.939 63.064 62.100 0.040 0.000 1.141 327 T CB -0.154 68.746 68.868 0.054 0.000 0.868 327 T HN 0.198 nan 8.240 nan 0.000 0.444 328 I N 1.174 121.754 120.570 0.016 0.000 2.226 328 I HA -0.122 4.048 4.170 -0.000 0.000 0.245 328 I C 2.845 178.880 176.117 -0.136 0.000 1.100 328 I CA 1.288 62.530 61.300 -0.097 0.000 1.374 328 I CB -0.608 37.269 38.000 -0.204 0.000 1.057 328 I HN 0.318 nan 8.210 nan 0.000 0.413 329 G N 0.228 109.019 108.800 -0.016 0.000 2.418 329 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.217 329 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.217 329 G C 1.787 176.716 174.900 0.049 0.000 1.158 329 G CA 0.767 45.908 45.100 0.070 0.000 0.771 329 G HN 0.495 nan 8.290 nan 0.000 0.545 330 A N 0.031 122.881 122.820 0.051 0.000 2.016 330 A HA 0.329 4.649 4.320 -0.000 0.000 0.217 330 A C 2.216 179.857 177.584 0.095 0.000 1.162 330 A CA 0.582 52.656 52.037 0.063 0.000 0.662 330 A CB -0.164 18.849 19.000 0.022 0.000 0.812 330 A HN 0.332 nan 8.150 nan 0.000 0.450 331 L N -0.406 120.848 121.223 0.053 0.000 2.558 331 L HA -0.058 4.282 4.340 -0.000 0.000 0.225 331 L C 2.482 179.441 176.870 0.147 0.000 1.128 331 L CA 0.660 55.562 54.840 0.104 0.000 0.868 331 L CB -0.262 41.804 42.059 0.012 0.000 1.006 331 L HN 0.592 nan 8.230 nan 0.000 0.454 332 Q N 0.928 120.738 119.800 0.018 0.000 2.062 332 Q HA -0.286 4.054 4.340 -0.000 0.000 0.209 332 Q C 0.868 176.741 176.000 -0.212 0.000 0.996 332 Q CA 2.334 58.040 55.803 -0.162 0.000 0.859 332 Q CB -0.021 28.543 28.738 -0.290 0.000 0.920 332 Q HN 0.469 nan 8.270 nan 0.000 0.415 333 D N -0.886 119.408 120.400 -0.178 0.000 2.363 333 D HA -0.028 4.612 4.640 -0.000 0.000 0.226 333 D C 0.530 176.536 176.300 -0.490 0.000 1.020 333 D CA 0.525 54.294 54.000 -0.385 0.000 0.892 333 D CB -0.008 40.497 40.800 -0.491 0.000 0.900 333 D HN 0.325 nan 8.370 nan 0.000 0.531 334 F N -0.177 119.714 119.950 -0.098 0.000 2.706 334 F HA 0.033 4.560 4.527 -0.000 0.000 0.308 334 F C 2.407 178.173 175.800 -0.057 0.000 1.095 334 F CA 0.029 57.991 58.000 -0.064 0.000 1.244 334 F CB 0.082 39.051 39.000 -0.051 0.000 1.063 334 F HN -0.119 nan 8.300 nan 0.000 0.582 335 T N -1.765 112.832 114.554 0.071 0.000 2.867 335 T HA -0.096 4.254 4.350 -0.000 0.000 0.268 335 T C 2.202 176.913 174.700 0.018 0.000 1.057 335 T CA 1.121 63.242 62.100 0.036 0.000 1.136 335 T CB -0.407 68.462 68.868 0.001 0.000 0.874 335 T HN 0.147 nan 8.240 nan 0.000 0.466 336 A N 1.651 124.470 122.820 -0.001 0.000 1.902 336 A HA 0.269 4.589 4.320 -0.000 0.000 0.217 336 A C 2.709 180.297 177.584 0.006 0.000 1.181 336 A CA 1.619 53.654 52.037 -0.004 0.000 0.623 336 A CB -1.531 17.457 19.000 -0.019 0.000 0.818 336 A HN 0.627 nan 8.150 nan 0.000 0.443 337 G N -0.589 108.220 108.800 0.015 0.000 2.403 337 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.216 337 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.216 337 G C 1.544 176.468 174.900 0.039 0.000 1.154 337 G CA 0.871 45.989 45.100 0.029 0.000 0.784 337 G HN 0.412 nan 8.290 nan 0.000 0.538 338 L N -0.388 120.866 121.223 0.052 0.000 2.095 338 L HA -0.008 4.332 4.340 -0.000 0.000 0.204 338 L C 3.103 179.984 176.870 0.019 0.000 1.080 338 L CA 0.804 55.668 54.840 0.040 0.000 0.759 338 L CB -0.376 41.711 42.059 0.046 0.000 0.914 338 L HN 0.218 nan 8.230 nan 0.000 0.439 339 Q N -0.131 119.677 119.800 0.014 0.000 2.084 339 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 339 Q C -0.414 175.588 176.000 0.003 0.000 0.978 339 Q CA 1.614 57.420 55.803 0.004 0.000 0.844 339 Q CB -0.944 27.794 28.738 -0.000 0.000 0.898 339 Q HN 0.409 nan 8.270 nan 0.000 0.426 340 P HA -0.138 nan 4.420 nan 0.000 0.216 340 P C 1.311 178.616 177.300 0.007 0.000 1.150 340 P CA 1.101 64.206 63.100 0.008 0.000 0.837 340 P CB 0.051 31.757 31.700 0.009 0.000 0.786 341 V N -0.685 119.231 119.914 0.004 0.000 2.323 341 V HA -0.173 3.947 4.120 -0.000 0.000 0.244 341 V C 2.459 178.546 176.094 -0.011 0.000 1.041 341 V CA 1.381 63.677 62.300 -0.007 0.000 1.025 341 V CB -1.178 30.643 31.823 -0.003 0.000 0.656 341 V HN 0.053 nan 8.190 nan 0.000 0.451 342 L N -0.145 121.075 121.223 -0.004 0.000 2.079 342 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 342 L C 2.763 179.629 176.870 -0.006 0.000 1.081 342 L CA 1.854 56.690 54.840 -0.007 0.000 0.752 342 L CB -0.517 41.538 42.059 -0.007 0.000 0.896 342 L HN 0.294 nan 8.230 nan 0.000 0.433 343 R N -0.358 120.141 120.500 -0.001 0.000 2.117 343 R HA -0.206 4.134 4.340 -0.000 0.000 0.243 343 R C 2.119 178.432 176.300 0.020 0.000 1.143 343 R CA 1.322 57.425 56.100 0.005 0.000 0.968 343 R CB 0.015 30.320 30.300 0.008 0.000 0.863 343 R HN 0.374 nan 8.270 nan 0.000 0.444 344 Q N -0.183 119.633 119.800 0.027 0.000 2.435 344 Q HA -0.034 4.306 4.340 -0.000 0.000 0.207 344 Q C 1.973 178.002 176.000 0.048 0.000 0.956 344 Q CA 0.602 56.448 55.803 0.071 0.000 0.917 344 Q CB 0.281 29.030 28.738 0.019 0.000 0.997 344 Q HN 0.257 nan 8.270 nan 0.000 0.497 345 V N -0.189 119.724 119.914 -0.002 0.000 2.548 345 V HA -0.059 4.061 4.120 -0.000 0.000 0.249 345 V C 1.388 177.472 176.094 -0.017 0.000 1.055 345 V CA 1.331 63.619 62.300 -0.020 0.000 1.065 345 V CB -0.967 30.844 31.823 -0.021 0.000 0.681 345 V HN 0.555 nan 8.190 nan 0.000 0.462 346 G N 0.452 109.248 108.800 -0.006 0.000 2.601 346 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.252 346 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.252 346 G C -0.120 174.760 174.900 -0.033 0.000 1.294 346 G CA 0.209 45.299 45.100 -0.016 0.000 0.912 346 G HN 0.384 nan 8.290 nan 0.000 0.574 347 D N 0.658 121.034 120.400 -0.040 0.000 2.845 347 D HA 0.325 4.965 4.640 -0.000 0.000 0.235 347 D C 1.824 178.089 176.300 -0.059 0.000 1.158 347 D CA -0.329 53.644 54.000 -0.045 0.000 0.990 347 D CB 0.200 40.975 40.800 -0.042 0.000 1.094 347 D HN 0.427 nan 8.370 nan 0.000 0.486 348 L N 1.704 122.889 121.223 -0.065 0.000 2.083 348 L HA -0.093 4.247 4.340 -0.000 0.000 0.209 348 L C 1.967 178.790 176.870 -0.077 0.000 1.083 348 L CA 1.798 56.584 54.840 -0.089 0.000 0.752 348 L CB -0.346 41.658 42.059 -0.092 0.000 0.899 348 L HN 0.326 nan 8.230 nan 0.000 0.433 349 E N -0.496 119.674 120.200 -0.051 0.000 2.049 349 E HA -0.287 4.063 4.350 -0.000 0.000 0.198 349 E C 2.304 178.870 176.600 -0.056 0.000 1.007 349 E CA 1.620 57.997 56.400 -0.039 0.000 0.809 349 E CB -0.119 29.568 29.700 -0.020 0.000 0.749 349 E HN 0.501 nan 8.360 nan 0.000 0.450 350 R N -0.094 120.370 120.500 -0.059 0.000 2.115 350 R HA -0.010 4.330 4.340 -0.000 0.000 0.226 350 R C 2.527 178.772 176.300 -0.092 0.000 1.100 350 R CA 0.935 56.993 56.100 -0.070 0.000 0.980 350 R CB -0.169 30.097 30.300 -0.056 0.000 0.875 350 R HN 0.336 nan 8.270 nan 0.000 0.445 351 I N 0.937 121.453 120.570 -0.090 0.000 2.286 351 I HA -0.293 3.877 4.170 -0.000 0.000 0.248 351 I C 2.039 178.079 176.117 -0.129 0.000 1.115 351 I CA 1.341 62.581 61.300 -0.101 0.000 1.392 351 I CB -0.147 37.790 38.000 -0.105 0.000 1.065 351 I HN 0.159 nan 8.210 nan 0.000 0.418 352 L N 0.215 121.360 121.223 -0.130 0.000 2.217 352 L HA -0.119 4.221 4.340 -0.000 0.000 0.211 352 L C 2.779 179.524 176.870 -0.210 0.000 1.107 352 L CA 0.853 55.606 54.840 -0.144 0.000 0.783 352 L CB -0.617 41.382 42.059 -0.100 0.000 0.919 352 L HN 0.213 nan 8.230 nan 0.000 0.442 353 A N 0.295 122.972 122.820 -0.239 0.000 1.902 353 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 353 A C 2.397 179.764 177.584 -0.361 0.000 1.181 353 A CA 1.338 53.128 52.037 -0.412 0.000 0.623 353 A CB -0.379 18.438 19.000 -0.304 0.000 0.818 353 A HN 0.318 nan 8.150 nan 0.000 0.443 354 R N -1.249 119.107 120.500 -0.239 0.000 2.148 354 R HA -0.025 4.315 4.340 -0.000 0.000 0.223 354 R C 2.058 178.183 176.300 -0.291 0.000 1.088 354 R CA 1.125 57.100 56.100 -0.207 0.000 0.985 354 R CB -0.465 29.762 30.300 -0.122 0.000 0.880 354 R HN 0.504 nan 8.270 nan 0.000 0.451 355 L N 0.896 121.930 121.223 -0.314 0.000 2.017 355 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 355 L C 2.295 178.910 176.870 -0.424 0.000 1.073 355 L CA 1.935 56.508 54.840 -0.446 0.000 0.745 355 L CB -0.619 41.272 42.059 -0.280 0.000 0.894 355 L HN 0.088 nan 8.230 nan 0.000 0.432 356 A N -0.582 122.053 122.820 -0.308 0.000 1.940 356 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 356 A C 2.154 179.614 177.584 -0.206 0.000 1.176 356 A CA 2.106 54.005 52.037 -0.229 0.000 0.631 356 A CB -0.913 17.930 19.000 -0.261 0.000 0.814 356 A HN 0.517 nan 8.150 nan 0.000 0.446 357 L N -2.148 118.924 121.223 -0.251 0.000 2.591 357 L HA 0.140 4.480 4.340 -0.000 0.000 0.228 357 L C 0.629 177.398 176.870 -0.167 0.000 1.133 357 L CA -0.011 54.729 54.840 -0.167 0.000 0.880 357 L CB -0.064 41.905 42.059 -0.150 0.000 1.033 357 L HN 0.364 nan 8.230 nan 0.000 0.450 358 R N -0.410 119.899 120.500 -0.318 0.000 3.525 358 R HA -0.169 4.171 4.340 -0.000 0.000 0.276 358 R C 0.821 177.087 176.300 -0.056 0.000 1.116 358 R CA 0.815 56.679 56.100 -0.393 0.000 0.745 358 R CB -2.478 27.769 30.300 -0.088 0.000 1.185 358 R HN 0.493 nan 8.270 nan 0.000 0.454 359 T N -3.775 110.727 114.554 -0.087 0.000 3.054 359 T HA 0.465 4.815 4.350 -0.000 0.000 0.255 359 T C 0.789 175.555 174.700 0.111 0.000 1.035 359 T CA 0.195 62.324 62.100 0.048 0.000 0.941 359 T CB 0.664 69.525 68.868 -0.011 0.000 1.026 359 T HN 0.437 nan 8.240 nan 0.000 0.533 360 A N 2.210 125.093 122.820 0.104 0.000 2.511 360 A HA 0.521 4.841 4.320 -0.000 0.000 0.242 360 A C 0.476 178.286 177.584 0.376 0.000 1.069 360 A CA -0.411 51.730 52.037 0.172 0.000 0.763 360 A CB 0.174 19.229 19.000 0.093 0.000 1.001 360 A HN 0.579 nan 8.150 nan 0.000 0.498 361 R N 2.502 123.140 120.500 0.230 0.000 2.674 361 R HA 0.347 4.687 4.340 -0.000 0.000 0.266 361 R C -1.997 174.427 176.300 0.207 0.000 1.016 361 R CA -1.915 54.299 56.100 0.190 0.000 1.062 361 R CB 0.273 30.613 30.300 0.066 0.000 1.142 361 R HN 0.370 nan 8.270 nan 0.000 0.517 362 P HA -0.183 nan 4.420 nan 0.000 0.216 362 P C 0.652 178.003 177.300 0.085 0.000 1.157 362 P CA 1.558 64.740 63.100 0.136 0.000 0.880 362 P CB 0.138 31.829 31.700 -0.015 0.000 0.791 363 R N -0.796 119.723 120.500 0.033 0.000 2.189 363 R HA -0.091 4.249 4.340 -0.000 0.000 0.223 363 R C 1.695 177.996 176.300 0.001 0.000 1.092 363 R CA 1.081 57.183 56.100 0.003 0.000 0.989 363 R CB -0.754 29.535 30.300 -0.018 0.000 0.876 363 R HN 0.284 nan 8.270 nan 0.000 0.457 364 D N 1.048 121.463 120.400 0.024 0.000 2.117 364 D HA -0.130 4.510 4.640 -0.000 0.000 0.197 364 D C 1.986 178.280 176.300 -0.010 0.000 0.987 364 D CA 1.069 55.072 54.000 0.004 0.000 0.829 364 D CB -0.052 40.763 40.800 0.025 0.000 0.961 364 D HN 0.212 nan 8.370 nan 0.000 0.460 365 L N 0.601 121.848 121.223 0.041 0.000 2.109 365 L HA -0.064 4.276 4.340 -0.000 0.000 0.207 365 L C 2.563 179.420 176.870 -0.022 0.000 1.086 365 L CA 0.860 55.708 54.840 0.012 0.000 0.760 365 L CB -0.450 41.642 42.059 0.054 0.000 0.910 365 L HN -0.038 nan 8.230 nan 0.000 0.437 366 A N 0.268 123.086 122.820 -0.004 0.000 1.930 366 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 366 A C 2.400 179.966 177.584 -0.030 0.000 1.175 366 A CA 1.248 53.276 52.037 -0.015 0.000 0.627 366 A CB -0.395 18.594 19.000 -0.018 0.000 0.815 366 A HN 0.299 nan 8.150 nan 0.000 0.443 367 R N -1.347 119.124 120.500 -0.050 0.000 2.092 367 R HA -0.046 4.294 4.340 -0.000 0.000 0.231 367 R C 2.323 178.555 176.300 -0.113 0.000 1.119 367 R CA 1.494 57.564 56.100 -0.050 0.000 0.970 367 R CB -0.363 29.901 30.300 -0.059 0.000 0.864 367 R HN 0.671 nan 8.270 nan 0.000 0.440 368 M N 0.611 120.084 119.600 -0.212 0.000 2.117 368 M HA -0.227 4.253 4.480 -0.000 0.000 0.262 368 M C 2.433 178.307 176.300 -0.710 0.000 1.065 368 M CA 1.648 56.656 55.300 -0.487 0.000 1.114 368 M CB -0.111 32.217 32.600 -0.453 0.000 1.361 368 M HN 0.001 nan 8.290 nan 0.000 0.408 369 R N -1.102 119.208 120.500 -0.317 0.000 2.080 369 R HA -0.276 4.064 4.340 -0.000 0.000 0.236 369 R C 2.188 178.489 176.300 0.002 0.000 1.137 369 R CA 2.451 58.508 56.100 -0.070 0.000 0.943 369 R CB -0.703 29.620 30.300 0.039 0.000 0.846 369 R HN 0.518 nan 8.270 nan 0.000 0.431 370 H N -0.070 118.943 119.070 -0.094 0.000 2.387 370 H HA -0.041 4.515 4.556 -0.000 0.000 0.299 370 H C 1.743 177.040 175.328 -0.051 0.000 1.099 370 H CA 2.089 58.107 56.048 -0.051 0.000 1.315 370 H CB -0.189 29.540 29.762 -0.055 0.000 1.380 370 H HN 0.430 nan 8.280 nan 0.000 0.513 371 A N -0.050 122.694 122.820 -0.126 0.000 1.873 371 A HA -0.116 4.204 4.320 -0.000 0.000 0.215 371 A C 2.040 179.615 177.584 -0.014 0.000 1.186 371 A CA 1.381 53.335 52.037 -0.139 0.000 0.616 371 A CB -0.956 17.925 19.000 -0.197 0.000 0.823 371 A HN 0.420 nan 8.150 nan 0.000 0.442 372 F N 0.374 120.311 119.950 -0.022 0.000 2.154 372 F HA -0.196 4.330 4.527 -0.000 0.000 0.301 372 F C 2.551 178.347 175.800 -0.006 0.000 1.087 372 F CA 1.412 59.420 58.000 0.013 0.000 1.274 372 F CB -1.079 37.933 39.000 0.020 0.000 1.009 372 F HN 0.356 nan 8.300 nan 0.000 0.485 373 Q N -0.622 119.256 119.800 0.131 0.000 2.436 373 Q HA -0.144 4.196 4.340 -0.000 0.000 0.209 373 Q C 1.814 177.800 176.000 -0.023 0.000 0.965 373 Q CA 0.638 56.461 55.803 0.034 0.000 0.910 373 Q CB -0.056 28.670 28.738 -0.019 0.000 0.980 373 Q HN 0.357 nan 8.270 nan 0.000 0.491 374 Q N -0.224 119.551 119.800 -0.043 0.000 2.398 374 Q HA 0.057 4.397 4.340 -0.000 0.000 0.204 374 Q C 1.862 177.868 176.000 0.009 0.000 0.932 374 Q CA 0.498 56.273 55.803 -0.047 0.000 0.916 374 Q CB 0.242 28.935 28.738 -0.075 0.000 1.024 374 Q HN 0.421 nan 8.270 nan 0.000 0.504 375 L N 0.722 121.978 121.223 0.056 0.000 2.027 375 L HA -0.112 4.228 4.340 -0.000 0.000 0.206 375 L C -0.547 176.343 176.870 0.034 0.000 1.074 375 L CA 1.188 56.070 54.840 0.069 0.000 0.745 375 L CB -1.745 40.395 42.059 0.135 0.000 0.898 375 L HN 0.108 nan 8.230 nan 0.000 0.433 376 P HA -0.211 nan 4.420 nan 0.000 0.216 376 P C 1.325 178.628 177.300 0.006 0.000 1.153 376 P CA 1.291 64.395 63.100 0.007 0.000 0.858 376 P CB 0.128 31.831 31.700 0.006 0.000 0.789 377 E N -0.124 120.080 120.200 0.007 0.000 2.047 377 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 377 E C 1.911 178.517 176.600 0.010 0.000 0.987 377 E CA 1.237 57.641 56.400 0.007 0.000 0.799 377 E CB -1.255 28.446 29.700 0.002 0.000 0.752 377 E HN 0.103 nan 8.360 nan 0.000 0.449 378 L N -0.035 121.193 121.223 0.009 0.000 2.046 378 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 378 L C 2.755 179.623 176.870 -0.003 0.000 1.077 378 L CA 1.509 56.353 54.840 0.006 0.000 0.747 378 L CB -0.354 41.711 42.059 0.010 0.000 0.896 378 L HN 0.093 nan 8.230 nan 0.000 0.432 379 R N -0.336 120.162 120.500 -0.003 0.000 2.096 379 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 379 R C 2.424 178.715 176.300 -0.015 0.000 1.127 379 R CA 1.310 57.401 56.100 -0.014 0.000 0.968 379 R CB -0.409 29.882 30.300 -0.015 0.000 0.861 379 R HN 0.375 nan 8.270 nan 0.000 0.440 380 A N 0.849 123.667 122.820 -0.003 0.000 1.873 380 A HA -0.183 4.137 4.320 -0.000 0.000 0.215 380 A C 2.015 179.610 177.584 0.018 0.000 1.186 380 A CA 1.057 53.098 52.037 0.006 0.000 0.616 380 A CB -0.398 18.610 19.000 0.012 0.000 0.823 380 A HN 0.289 nan 8.150 nan 0.000 0.442 381 Q N -0.616 119.201 119.800 0.029 0.000 2.135 381 Q HA -0.096 4.244 4.340 -0.000 0.000 0.204 381 Q C 1.839 177.835 176.000 -0.006 0.000 0.981 381 Q CA 1.363 57.206 55.803 0.066 0.000 0.856 381 Q CB -0.257 28.529 28.738 0.080 0.000 0.902 381 Q HN 0.668 nan 8.270 nan 0.000 0.425 382 L N 0.002 121.180 121.223 -0.075 0.000 2.509 382 L HA -0.043 4.297 4.340 -0.000 0.000 0.222 382 L C 2.217 178.986 176.870 -0.168 0.000 1.123 382 L CA 0.226 54.958 54.840 -0.181 0.000 0.856 382 L CB -0.184 41.799 42.059 -0.127 0.000 0.985 382 L HN 0.269 nan 8.230 nan 0.000 0.456 383 E N 0.670 120.818 120.200 -0.086 0.000 2.085 383 E HA -0.261 4.089 4.350 -0.000 0.000 0.194 383 E C 1.846 178.410 176.600 -0.060 0.000 0.994 383 E CA 2.031 58.396 56.400 -0.057 0.000 0.801 383 E CB 0.144 29.831 29.700 -0.021 0.000 0.743 383 E HN 0.495 nan 8.360 nan 0.000 0.453 384 T N -1.778 112.750 114.554 -0.044 0.000 3.100 384 T HA 0.120 4.470 4.350 -0.000 0.000 0.253 384 T C 0.733 175.398 174.700 -0.059 0.000 1.118 384 T CA -0.139 61.964 62.100 0.005 0.000 1.058 384 T CB 0.109 69.052 68.868 0.124 0.000 0.953 384 T HN -0.104 nan 8.240 nan 0.000 0.515 385 V N 3.042 122.783 119.914 -0.289 0.000 2.485 385 V HA 0.144 4.264 4.120 -0.000 0.000 0.287 385 V C 0.442 176.445 176.094 -0.153 0.000 1.022 385 V CA -0.408 61.653 62.300 -0.397 0.000 1.067 385 V CB 0.370 31.814 31.823 -0.632 0.000 0.967 385 V HN 0.404 nan 8.190 nan 0.000 0.479 386 D N 4.112 124.475 120.400 -0.061 0.000 2.483 386 D HA 0.365 5.005 4.640 -0.000 0.000 0.220 386 D C -0.125 176.163 176.300 -0.019 0.000 1.173 386 D CA 0.465 54.455 54.000 -0.017 0.000 0.964 386 D CB 0.250 41.063 40.800 0.022 0.000 1.046 386 D HN 0.628 nan 8.370 nan 0.000 0.517 387 S N 1.948 117.628 115.700 -0.033 0.000 2.582 387 S HA 0.464 4.934 4.470 -0.000 0.000 0.296 387 S C 0.748 175.334 174.600 -0.023 0.000 1.118 387 S CA -0.142 58.045 58.200 -0.021 0.000 0.947 387 S CB 0.506 63.688 63.200 -0.029 0.000 1.131 387 S HN 0.251 nan 8.310 nan 0.000 0.453 388 A N 5.857 128.672 122.820 -0.009 0.000 1.883 388 A HA 0.111 4.431 4.320 -0.000 0.000 0.217 388 A C -0.723 176.856 177.584 -0.008 0.000 1.186 388 A CA 1.970 54.002 52.037 -0.009 0.000 0.624 388 A CB -1.767 17.232 19.000 -0.002 0.000 0.822 388 A HN 0.669 nan 8.150 nan 0.000 0.444 389 P HA -0.048 nan 4.420 nan 0.000 0.221 389 P C 1.529 178.828 177.300 -0.001 0.000 1.150 389 P CA 0.902 64.007 63.100 0.007 0.000 0.800 389 P CB -0.100 31.613 31.700 0.020 0.000 0.787 390 V N -0.100 119.801 119.914 -0.022 0.000 2.379 390 V HA -0.211 3.909 4.120 -0.000 0.000 0.245 390 V C 2.516 178.580 176.094 -0.048 0.000 1.044 390 V CA 1.645 63.917 62.300 -0.046 0.000 1.036 390 V CB -1.068 30.697 31.823 -0.097 0.000 0.664 390 V HN 0.098 nan 8.190 nan 0.000 0.453 391 Q N -0.058 119.714 119.800 -0.047 0.000 2.170 391 Q HA -0.097 4.243 4.340 -0.000 0.000 0.203 391 Q C 2.372 178.357 176.000 -0.025 0.000 0.976 391 Q CA 1.803 57.581 55.803 -0.042 0.000 0.858 391 Q CB -0.661 28.055 28.738 -0.037 0.000 0.907 391 Q HN 0.653 nan 8.270 nan 0.000 0.433 392 A N 0.578 123.390 122.820 -0.014 0.000 1.897 392 A HA -0.084 4.236 4.320 -0.000 0.000 0.215 392 A C 2.252 179.839 177.584 0.006 0.000 1.181 392 A CA 0.809 52.845 52.037 -0.003 0.000 0.620 392 A CB -0.634 18.369 19.000 0.005 0.000 0.821 392 A HN 0.303 nan 8.150 nan 0.000 0.443 393 L N -0.859 120.369 121.223 0.009 0.000 2.083 393 L HA -0.194 4.146 4.340 -0.000 0.000 0.209 393 L C 2.786 179.662 176.870 0.010 0.000 1.083 393 L CA 1.755 56.607 54.840 0.019 0.000 0.752 393 L CB -0.427 41.645 42.059 0.021 0.000 0.899 393 L HN 0.476 nan 8.230 nan 0.000 0.433 394 R N 0.388 120.882 120.500 -0.010 0.000 2.073 394 R HA -0.246 4.094 4.340 -0.000 0.000 0.234 394 R C 2.216 178.508 176.300 -0.014 0.000 1.134 394 R CA 1.970 58.060 56.100 -0.017 0.000 0.952 394 R CB -0.099 30.179 30.300 -0.037 0.000 0.850 394 R HN 0.292 nan 8.270 nan 0.000 0.433 395 E N 0.834 121.024 120.200 -0.018 0.000 2.023 395 E HA -0.240 4.110 4.350 -0.000 0.000 0.196 395 E C 1.930 178.521 176.600 -0.014 0.000 1.003 395 E CA 1.855 58.240 56.400 -0.025 0.000 0.809 395 E CB -0.082 29.605 29.700 -0.022 0.000 0.755 395 E HN 0.222 nan 8.360 nan 0.000 0.449 396 K N -0.023 120.384 120.400 0.011 0.000 2.152 396 K HA -0.193 4.127 4.320 -0.000 0.000 0.206 396 K C 2.231 178.874 176.600 0.072 0.000 1.048 396 K CA 1.580 57.890 56.287 0.039 0.000 0.933 396 K CB -0.237 32.292 32.500 0.048 0.000 0.721 396 K HN 0.330 nan 8.250 nan 0.000 0.447 397 M N 0.054 119.694 119.600 0.066 0.000 2.279 397 M HA -0.079 4.401 4.480 -0.000 0.000 0.264 397 M C 0.750 177.143 176.300 0.154 0.000 1.062 397 M CA 1.723 57.090 55.300 0.111 0.000 1.099 397 M CB -0.359 32.284 32.600 0.072 0.000 1.394 397 M HN 0.320 nan 8.290 nan 0.000 0.426 398 G N 0.431 109.236 108.800 0.007 0.000 2.645 398 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.239 398 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.239 398 G C -0.041 174.753 174.900 -0.177 0.000 1.331 398 G CA 0.287 45.260 45.100 -0.212 0.000 0.890 398 G HN 0.589 nan 8.290 nan 0.000 0.572 399 E N -2.555 117.377 120.200 -0.447 0.000 3.001 399 E HA 0.312 4.662 4.350 -0.000 0.000 0.211 399 E C 0.379 176.885 176.600 -0.157 0.000 1.026 399 E CA 0.216 56.503 56.400 -0.188 0.000 1.614 399 E CB 0.382 29.980 29.700 -0.170 0.000 1.672 399 E HN 0.978 nan 8.360 nan 0.000 0.869 400 F N 0.206 120.009 119.950 -0.246 0.000 3.027 400 F HA -0.281 4.246 4.527 -0.000 0.000 0.276 400 F C 0.998 176.539 175.800 -0.432 0.000 0.967 400 F CA 0.377 58.114 58.000 -0.438 0.000 0.929 400 F CB -1.946 36.573 39.000 -0.802 0.000 0.873 400 F HN 0.209 nan 8.300 nan 0.000 0.787 401 A N -0.357 122.365 122.820 -0.162 0.000 1.940 401 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 401 A C 2.219 179.741 177.584 -0.103 0.000 1.176 401 A CA 1.934 53.906 52.037 -0.109 0.000 0.631 401 A CB -0.217 18.735 19.000 -0.080 0.000 0.814 401 A HN 0.563 nan 8.150 nan 0.000 0.446 402 E N -0.630 119.498 120.200 -0.119 0.000 2.208 402 E HA -0.086 4.264 4.350 -0.000 0.000 0.193 402 E C 1.761 178.297 176.600 -0.107 0.000 0.988 402 E CA 0.621 56.967 56.400 -0.090 0.000 0.828 402 E CB -0.194 29.460 29.700 -0.077 0.000 0.763 402 E HN 0.458 nan 8.360 nan 0.000 0.478 403 L N 0.966 122.066 121.223 -0.205 0.000 2.095 403 L HA -0.055 4.285 4.340 -0.000 0.000 0.204 403 L C 2.446 179.279 176.870 -0.062 0.000 1.080 403 L CA 1.207 55.933 54.840 -0.190 0.000 0.759 403 L CB -1.103 40.725 42.059 -0.384 0.000 0.914 403 L HN 0.062 nan 8.230 nan 0.000 0.439 404 R N 0.307 120.728 120.500 -0.131 0.000 2.112 404 R HA -0.267 4.073 4.340 -0.000 0.000 0.242 404 R C 1.969 178.316 176.300 0.078 0.000 1.137 404 R CA 2.491 58.652 56.100 0.103 0.000 0.944 404 R CB -0.511 29.823 30.300 0.056 0.000 0.857 404 R HN 0.440 nan 8.270 nan 0.000 0.435 405 D N -0.111 120.304 120.400 0.025 0.000 2.144 405 D HA -0.170 4.470 4.640 -0.000 0.000 0.200 405 D C 2.124 178.449 176.300 0.042 0.000 0.978 405 D CA 0.973 54.993 54.000 0.033 0.000 0.833 405 D CB -0.078 40.734 40.800 0.020 0.000 0.961 405 D HN 0.230 nan 8.370 nan 0.000 0.470 406 L N 0.271 121.518 121.223 0.040 0.000 1.990 406 L HA -0.130 4.210 4.340 -0.000 0.000 0.213 406 L C 2.051 178.920 176.870 -0.003 0.000 1.072 406 L CA 1.728 56.599 54.840 0.051 0.000 0.755 406 L CB -0.569 41.521 42.059 0.053 0.000 0.889 406 L HN 0.211 nan 8.230 nan 0.000 0.432 407 L N -1.043 120.194 121.223 0.023 0.000 2.217 407 L HA -0.123 4.217 4.340 -0.000 0.000 0.211 407 L C 2.473 179.332 176.870 -0.018 0.000 1.107 407 L CA 0.935 55.773 54.840 -0.004 0.000 0.783 407 L CB -0.538 41.565 42.059 0.074 0.000 0.919 407 L HN 0.372 nan 8.230 nan 0.000 0.442 408 E N 0.239 120.450 120.200 0.018 0.000 2.051 408 E HA -0.199 4.151 4.350 -0.000 0.000 0.192 408 E C 2.364 178.960 176.600 -0.008 0.000 0.991 408 E CA 1.145 57.556 56.400 0.019 0.000 0.799 408 E CB 0.097 29.821 29.700 0.040 0.000 0.748 408 E HN 0.369 nan 8.360 nan 0.000 0.449 409 R N -0.264 120.229 120.500 -0.012 0.000 2.093 409 R HA 0.025 4.365 4.340 -0.000 0.000 0.224 409 R C 2.175 178.363 176.300 -0.186 0.000 1.101 409 R CA 0.964 57.064 56.100 -0.000 0.000 0.979 409 R CB -0.025 30.349 30.300 0.124 0.000 0.877 409 R HN 0.079 nan 8.270 nan 0.000 0.441 410 A N 0.728 123.283 122.820 -0.440 0.000 1.975 410 A HA 0.146 4.466 4.320 -0.000 0.000 0.215 410 A C 1.069 178.390 177.584 -0.438 0.000 1.170 410 A CA 0.557 52.003 52.037 -0.985 0.000 0.656 410 A CB 0.238 18.655 19.000 -0.972 0.000 0.821 410 A HN 0.065 nan 8.150 nan 0.000 0.449 411 I N 0.653 121.098 120.570 -0.208 0.000 2.603 411 I HA 0.343 4.513 4.170 -0.000 0.000 0.300 411 I C 0.078 176.168 176.117 -0.045 0.000 1.017 411 I CA -1.123 60.125 61.300 -0.087 0.000 1.098 411 I CB 1.938 39.914 38.000 -0.040 0.000 1.279 411 I HN 0.407 nan 8.210 nan 0.000 0.437 412 I N 0.156 120.712 120.570 -0.022 0.000 3.269 412 I HA 0.187 4.357 4.170 -0.000 0.000 0.287 412 I C 0.624 176.736 176.117 -0.008 0.000 1.152 412 I CA -0.104 61.190 61.300 -0.010 0.000 1.263 412 I CB 0.441 38.438 38.000 -0.005 0.000 1.439 412 I HN 0.492 nan 8.210 nan 0.000 0.637 413 D N 1.055 121.452 120.400 -0.005 0.000 2.084 413 D HA -0.099 4.541 4.640 -0.000 0.000 0.194 413 D C 0.902 177.190 176.300 -0.020 0.000 0.990 413 D CA 2.300 56.297 54.000 -0.006 0.000 0.826 413 D CB -0.247 40.551 40.800 -0.004 0.000 0.971 413 D HN 0.846 nan 8.370 nan 0.000 0.453 414 T N -0.665 113.875 114.554 -0.022 0.000 3.226 414 T HA 0.428 4.777 4.350 -0.000 0.000 0.378 414 T C -2.662 172.023 174.700 -0.026 0.000 1.380 414 T CA -1.623 60.458 62.100 -0.031 0.000 1.396 414 T CB 1.913 70.760 68.868 -0.035 0.000 1.044 414 T HN -0.150 nan 8.240 nan 0.000 0.586 415 P HA 0.395 nan 4.420 nan 0.000 0.273 415 P C -2.685 174.597 177.300 -0.030 0.000 1.250 415 P CA -1.248 61.838 63.100 -0.023 0.000 0.793 415 P CB -0.222 31.469 31.700 -0.014 0.000 1.011 416 P HA 0.073 nan 4.420 nan 0.000 0.274 416 P C 1.143 178.416 177.300 -0.044 0.000 1.256 416 P CA -0.296 62.780 63.100 -0.040 0.000 0.795 416 P CB 0.294 31.966 31.700 -0.046 0.000 1.038 417 V N -0.191 119.700 119.914 -0.038 0.000 2.343 417 V HA -0.132 3.988 4.120 -0.000 0.000 0.247 417 V C 1.190 177.257 176.094 -0.046 0.000 1.051 417 V CA 1.660 63.940 62.300 -0.034 0.000 1.036 417 V CB -0.770 31.036 31.823 -0.027 0.000 0.654 417 V HN 0.338 nan 8.190 nan 0.000 0.451 418 L N -1.307 119.879 121.223 -0.061 0.000 2.330 418 L HA 0.412 4.752 4.340 -0.000 0.000 0.271 418 L C 0.835 177.617 176.870 -0.146 0.000 1.013 418 L CA -0.252 54.536 54.840 -0.087 0.000 0.816 418 L CB 2.124 44.148 42.059 -0.057 0.000 1.287 418 L HN -0.175 nan 8.230 nan 0.000 0.435 419 V N 2.014 121.787 119.914 -0.234 0.000 3.406 419 V HA -0.033 4.087 4.120 -0.000 0.000 0.263 419 V C 2.322 178.297 176.094 -0.198 0.000 1.172 419 V CA 0.954 63.057 62.300 -0.328 0.000 1.140 419 V CB -0.402 31.013 31.823 -0.680 0.000 0.784 419 V HN 0.832 nan 8.190 nan 0.000 0.467 420 R N 0.262 120.684 120.500 -0.130 0.000 2.133 420 R HA -0.185 4.155 4.340 -0.000 0.000 0.247 420 R C 1.284 177.545 176.300 -0.065 0.000 1.151 420 R CA 2.227 58.279 56.100 -0.080 0.000 0.971 420 R CB -0.073 30.199 30.300 -0.047 0.000 0.866 420 R HN 0.535 nan 8.270 nan 0.000 0.447 421 D N -0.949 119.413 120.400 -0.064 0.000 2.369 421 D HA 0.168 4.808 4.640 -0.000 0.000 0.211 421 D C 0.852 177.120 176.300 -0.053 0.000 1.077 421 D CA 0.848 54.819 54.000 -0.049 0.000 0.842 421 D CB 0.791 41.570 40.800 -0.036 0.000 0.947 421 D HN 0.461 nan 8.370 nan 0.000 0.509 422 G N 0.882 109.639 108.800 -0.072 0.000 2.598 422 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.244 422 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.244 422 G C 0.822 175.693 174.900 -0.048 0.000 1.302 422 G CA 0.105 45.169 45.100 -0.060 0.000 0.903 422 G HN 0.849 nan 8.290 nan 0.000 0.575 423 G N -3.019 105.765 108.800 -0.026 0.000 2.176 423 G HA2 0.039 3.999 3.960 -0.000 0.000 0.252 423 G HA3 0.039 3.999 3.960 -0.000 0.000 0.252 423 G C 0.979 175.866 174.900 -0.022 0.000 1.024 423 G CA 1.389 46.479 45.100 -0.018 0.000 0.755 423 G HN 1.819 nan 8.290 nan 0.000 0.507 424 V N 0.022 119.920 119.914 -0.026 0.000 2.806 424 V HA 0.302 4.422 4.120 -0.000 0.000 0.239 424 V C 1.588 177.682 176.094 -0.000 0.000 1.113 424 V CA 0.620 62.904 62.300 -0.027 0.000 1.137 424 V CB -0.006 31.774 31.823 -0.072 0.000 0.865 424 V HN 0.348 nan 8.190 nan 0.000 0.482 425 I N 1.776 122.357 120.570 0.019 0.000 2.496 425 I HA 0.320 4.490 4.170 -0.000 0.000 0.285 425 I C 0.707 176.843 176.117 0.032 0.000 1.080 425 I CA -0.082 61.233 61.300 0.025 0.000 1.404 425 I CB 0.504 38.561 38.000 0.096 0.000 1.403 425 I HN 0.197 nan 8.210 nan 0.000 0.539 426 A N 5.669 128.492 122.820 0.006 0.000 2.386 426 A HA 0.419 4.739 4.320 -0.000 0.000 0.248 426 A C 0.617 178.254 177.584 0.087 0.000 1.082 426 A CA -0.418 51.638 52.037 0.032 0.000 0.789 426 A CB 0.117 19.121 19.000 0.007 0.000 1.025 426 A HN 0.825 nan 8.150 nan 0.000 0.490 427 S N 0.358 116.100 115.700 0.071 0.000 2.576 427 S HA 0.492 4.962 4.470 -0.000 0.000 0.276 427 S C 1.171 175.824 174.600 0.090 0.000 1.339 427 S CA 0.093 58.340 58.200 0.077 0.000 1.039 427 S CB 0.928 64.158 63.200 0.051 0.000 0.902 427 S HN 2.499 nan 8.310 nan 0.000 0.516 428 G N 0.702 109.554 108.800 0.086 0.000 2.199 428 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.254 428 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.254 428 G C 0.354 175.330 174.900 0.127 0.000 0.982 428 G CA 0.543 45.691 45.100 0.081 0.000 0.632 428 G HN 0.907 nan 8.290 nan 0.000 0.529 429 Y N 1.373 121.683 120.300 0.018 0.000 2.314 429 Y HA 0.313 4.863 4.550 -0.000 0.000 0.294 429 Y C 1.046 176.957 175.900 0.019 0.000 1.119 429 Y CA 1.336 59.448 58.100 0.021 0.000 1.179 429 Y CB 0.467 38.943 38.460 0.028 0.000 1.025 429 Y HN 0.312 nan 8.280 nan 0.000 0.541 430 N N 0.424 119.114 118.700 -0.015 0.000 2.454 430 N HA 0.032 4.772 4.740 -0.000 0.000 0.291 430 N C 0.192 175.684 175.510 -0.030 0.000 1.079 430 N CA -0.053 52.937 53.050 -0.099 0.000 0.893 430 N CB 1.489 39.942 38.487 -0.057 0.000 1.512 430 N HN 0.377 nan 8.380 nan 0.000 0.497 431 E N 2.331 122.496 120.200 -0.058 0.000 2.106 431 E HA -0.176 4.174 4.350 -0.000 0.000 0.192 431 E C 0.985 177.538 176.600 -0.078 0.000 0.984 431 E CA 1.067 57.433 56.400 -0.058 0.000 0.806 431 E CB 0.295 29.954 29.700 -0.068 0.000 0.750 431 E HN 0.698 nan 8.360 nan 0.000 0.458 432 E N 0.231 120.387 120.200 -0.072 0.000 2.077 432 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 432 E C 2.282 178.857 176.600 -0.043 0.000 0.989 432 E CA 0.868 57.204 56.400 -0.108 0.000 0.800 432 E CB -0.044 29.651 29.700 -0.008 0.000 0.746 432 E HN 0.200 nan 8.360 nan 0.000 0.452 433 L N 1.605 122.878 121.223 0.084 0.000 2.046 433 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 433 L C 1.569 178.504 176.870 0.108 0.000 1.077 433 L CA 1.972 56.911 54.840 0.164 0.000 0.747 433 L CB -0.367 41.781 42.059 0.148 0.000 0.896 433 L HN 0.057 nan 8.230 nan 0.000 0.432 434 D N -0.426 119.999 120.400 0.042 0.000 2.178 434 D HA -0.185 4.455 4.640 -0.000 0.000 0.201 434 D C 2.087 178.381 176.300 -0.009 0.000 0.980 434 D CA 1.282 55.297 54.000 0.025 0.000 0.842 434 D CB 0.033 40.837 40.800 0.006 0.000 0.948 434 D HN 0.548 nan 8.370 nan 0.000 0.472 435 E N -0.497 119.648 120.200 -0.092 0.000 2.046 435 E HA -0.119 4.231 4.350 -0.000 0.000 0.190 435 E C 2.090 178.605 176.600 -0.141 0.000 0.982 435 E CA 0.641 56.924 56.400 -0.194 0.000 0.800 435 E CB -0.110 29.354 29.700 -0.393 0.000 0.756 435 E HN 0.407 nan 8.360 nan 0.000 0.449 436 W N 0.838 122.140 121.300 0.003 0.000 2.388 436 W HA -0.079 4.581 4.660 -0.000 0.000 0.294 436 W C 2.466 178.987 176.519 0.003 0.000 1.212 436 W CA 0.257 57.603 57.345 0.001 0.000 1.271 436 W CB 0.011 29.471 29.460 0.001 0.000 1.126 436 W HN -0.035 nan 8.180 nan 0.000 0.535 437 R N 0.095 120.726 120.500 0.219 0.000 2.096 437 R HA -0.130 4.210 4.340 -0.000 0.000 0.235 437 R C 2.351 178.706 176.300 0.092 0.000 1.127 437 R CA 1.462 57.641 56.100 0.131 0.000 0.968 437 R CB -0.734 29.623 30.300 0.095 0.000 0.861 437 R HN 0.156 nan 8.270 nan 0.000 0.440 438 A N 1.025 123.885 122.820 0.066 0.000 1.898 438 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 438 A C 2.130 179.748 177.584 0.057 0.000 1.181 438 A CA 1.054 53.115 52.037 0.041 0.000 0.620 438 A CB -0.459 18.545 19.000 0.006 0.000 0.819 438 A HN 0.174 nan 8.150 nan 0.000 0.442 439 L N -0.814 120.455 121.223 0.077 0.000 2.093 439 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 439 L C 3.049 179.986 176.870 0.111 0.000 1.085 439 L CA 0.934 55.833 54.840 0.098 0.000 0.755 439 L CB -0.498 41.648 42.059 0.146 0.000 0.904 439 L HN 0.444 nan 8.230 nan 0.000 0.435 440 A N -0.177 122.717 122.820 0.123 0.000 1.898 440 A HA -0.202 4.118 4.320 -0.000 0.000 0.216 440 A C 1.931 179.560 177.584 0.076 0.000 1.181 440 A CA 1.751 53.844 52.037 0.095 0.000 0.620 440 A CB -0.438 18.613 19.000 0.085 0.000 0.819 440 A HN 0.317 nan 8.150 nan 0.000 0.442 441 D N -0.242 120.200 120.400 0.069 0.000 2.144 441 D HA -0.083 4.557 4.640 -0.000 0.000 0.199 441 D C 2.008 178.346 176.300 0.063 0.000 0.984 441 D CA 1.459 55.492 54.000 0.055 0.000 0.834 441 D CB -0.569 40.258 40.800 0.045 0.000 0.955 441 D HN 0.453 nan 8.370 nan 0.000 0.465 442 G N 0.472 109.317 108.800 0.076 0.000 2.421 442 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.217 442 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.217 442 G C 1.668 176.656 174.900 0.146 0.000 1.143 442 G CA 0.843 46.000 45.100 0.096 0.000 0.784 442 G HN 0.369 nan 8.290 nan 0.000 0.541 443 A N 0.962 123.870 122.820 0.147 0.000 1.929 443 A HA 0.025 4.345 4.320 -0.000 0.000 0.216 443 A C 2.633 180.297 177.584 0.134 0.000 1.176 443 A CA 2.432 54.597 52.037 0.212 0.000 0.628 443 A CB -0.897 18.193 19.000 0.151 0.000 0.816 443 A HN 0.453 nan 8.150 nan 0.000 0.444 444 T N -2.439 112.158 114.554 0.072 0.000 2.857 444 T HA -0.113 4.237 4.350 -0.000 0.000 0.266 444 T C 1.349 176.060 174.700 0.018 0.000 1.048 444 T CA 1.385 63.502 62.100 0.027 0.000 1.139 444 T CB -0.422 68.473 68.868 0.045 0.000 0.874 444 T HN 0.283 nan 8.240 nan 0.000 0.455 445 D N 0.408 120.832 120.400 0.041 0.000 2.123 445 D HA -0.079 4.561 4.640 -0.000 0.000 0.196 445 D C 1.607 177.901 176.300 -0.010 0.000 0.992 445 D CA 1.073 55.084 54.000 0.019 0.000 0.833 445 D CB -0.511 40.312 40.800 0.038 0.000 0.954 445 D HN 0.541 nan 8.370 nan 0.000 0.455 446 Y N 0.878 121.112 120.300 -0.110 0.000 2.163 446 Y HA -0.120 4.430 4.550 -0.000 0.000 0.288 446 Y C 2.184 177.917 175.900 -0.279 0.000 1.136 446 Y CA 1.265 59.225 58.100 -0.233 0.000 1.147 446 Y CB -0.237 37.988 38.460 -0.392 0.000 0.987 446 Y HN -0.084 nan 8.280 nan 0.000 0.509 447 L N -0.058 121.104 121.223 -0.101 0.000 2.093 447 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 447 L C 2.328 179.095 176.870 -0.172 0.000 1.085 447 L CA 1.550 56.284 54.840 -0.177 0.000 0.755 447 L CB -0.495 41.413 42.059 -0.253 0.000 0.904 447 L HN 0.233 nan 8.230 nan 0.000 0.435 448 E N -0.235 119.892 120.200 -0.122 0.000 2.118 448 E HA -0.247 4.103 4.350 -0.000 0.000 0.195 448 E C 2.348 178.865 176.600 -0.140 0.000 0.992 448 E CA 1.053 57.396 56.400 -0.095 0.000 0.804 448 E CB -0.013 29.652 29.700 -0.058 0.000 0.741 448 E HN 0.342 nan 8.360 nan 0.000 0.458 449 R N 0.293 120.662 120.500 -0.218 0.000 2.115 449 R HA -0.033 4.307 4.340 -0.000 0.000 0.226 449 R C 2.503 178.616 176.300 -0.313 0.000 1.100 449 R CA 0.437 56.378 56.100 -0.264 0.000 0.980 449 R CB -0.152 29.945 30.300 -0.337 0.000 0.875 449 R HN 0.186 nan 8.270 nan 0.000 0.445 450 L N 1.151 122.128 121.223 -0.409 0.000 2.083 450 L HA -0.195 4.145 4.340 -0.000 0.000 0.209 450 L C 2.330 179.101 176.870 -0.165 0.000 1.083 450 L CA 1.724 56.367 54.840 -0.327 0.000 0.752 450 L CB -0.240 41.629 42.059 -0.317 0.000 0.899 450 L HN 0.209 nan 8.230 nan 0.000 0.433 451 E N -0.562 119.559 120.200 -0.132 0.000 2.038 451 E HA -0.235 4.115 4.350 -0.000 0.000 0.195 451 E C 2.045 178.612 176.600 -0.055 0.000 1.000 451 E CA 2.131 58.491 56.400 -0.066 0.000 0.803 451 E CB -0.138 29.533 29.700 -0.048 0.000 0.750 451 E HN 0.391 nan 8.360 nan 0.000 0.448 452 V N 1.438 121.307 119.914 -0.075 0.000 2.407 452 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 452 V C 2.669 178.725 176.094 -0.063 0.000 1.055 452 V CA 2.103 64.366 62.300 -0.062 0.000 1.049 452 V CB -0.698 31.083 31.823 -0.069 0.000 0.662 452 V HN 0.328 nan 8.190 nan 0.000 0.455 453 R N -0.086 120.360 120.500 -0.089 0.000 2.075 453 R HA -0.145 4.195 4.340 -0.000 0.000 0.232 453 R C 2.221 178.495 176.300 -0.043 0.000 1.126 453 R CA 1.456 57.509 56.100 -0.079 0.000 0.963 453 R CB -0.092 30.136 30.300 -0.120 0.000 0.858 453 R HN 0.460 nan 8.270 nan 0.000 0.435 454 E N 0.576 120.761 120.200 -0.025 0.000 2.107 454 E HA -0.126 4.224 4.350 -0.000 0.000 0.191 454 E C 2.124 178.733 176.600 0.014 0.000 0.982 454 E CA 0.877 57.293 56.400 0.027 0.000 0.809 454 E CB -0.066 29.688 29.700 0.089 0.000 0.756 454 E HN 0.383 nan 8.360 nan 0.000 0.459 455 R N 0.786 121.287 120.500 0.001 0.000 2.073 455 R HA -0.102 4.238 4.340 -0.000 0.000 0.234 455 R C 2.388 178.676 176.300 -0.020 0.000 1.134 455 R CA 1.140 57.236 56.100 -0.006 0.000 0.952 455 R CB -0.146 30.150 30.300 -0.007 0.000 0.850 455 R HN 0.157 nan 8.270 nan 0.000 0.433 456 E N 0.714 120.899 120.200 -0.025 0.000 2.023 456 E HA -0.210 4.139 4.350 -0.000 0.000 0.196 456 E C 2.116 178.697 176.600 -0.032 0.000 1.003 456 E CA 1.280 57.663 56.400 -0.028 0.000 0.809 456 E CB -0.021 29.660 29.700 -0.032 0.000 0.755 456 E HN 0.211 nan 8.360 nan 0.000 0.449 457 R N -0.346 120.134 120.500 -0.033 0.000 2.115 457 R HA -0.175 4.165 4.340 -0.000 0.000 0.239 457 R C 2.567 178.834 176.300 -0.054 0.000 1.133 457 R CA 2.609 58.686 56.100 -0.039 0.000 0.935 457 R CB -0.588 29.691 30.300 -0.036 0.000 0.853 457 R HN 0.317 nan 8.270 nan 0.000 0.433 458 T N -3.407 111.108 114.554 -0.065 0.000 3.055 458 T HA 0.078 4.428 4.350 -0.000 0.000 0.265 458 T C 1.395 176.049 174.700 -0.076 0.000 1.111 458 T CA 0.729 62.772 62.100 -0.096 0.000 1.118 458 T CB 0.147 68.936 68.868 -0.132 0.000 0.909 458 T HN 0.496 nan 8.240 nan 0.000 0.501 459 G N 1.365 110.134 108.800 -0.052 0.000 2.179 459 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.257 459 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.257 459 G C -0.075 174.802 174.900 -0.040 0.000 1.010 459 G CA 0.303 45.379 45.100 -0.041 0.000 0.736 459 G HN 0.648 nan 8.290 nan 0.000 0.513 460 L N 1.312 122.510 121.223 -0.041 0.000 2.283 460 L HA 0.323 4.663 4.340 -0.000 0.000 0.281 460 L C 1.119 177.983 176.870 -0.011 0.000 1.033 460 L CA -0.405 54.413 54.840 -0.036 0.000 0.848 460 L CB 1.181 43.209 42.059 -0.053 0.000 1.226 460 L HN 0.278 nan 8.230 nan 0.000 0.429 461 D N -0.110 120.286 120.400 -0.006 0.000 2.363 461 D HA -0.139 4.501 4.640 -0.000 0.000 0.226 461 D C 1.419 177.728 176.300 0.014 0.000 1.020 461 D CA 0.860 54.861 54.000 0.002 0.000 0.892 461 D CB 0.098 40.899 40.800 0.001 0.000 0.900 461 D HN 0.535 nan 8.370 nan 0.000 0.531 462 T N -2.323 112.244 114.554 0.021 0.000 3.060 462 T HA 0.142 4.492 4.350 -0.000 0.000 0.249 462 T C 0.939 175.672 174.700 0.054 0.000 1.079 462 T CA -0.628 61.494 62.100 0.037 0.000 1.013 462 T CB -0.361 68.531 68.868 0.041 0.000 0.975 462 T HN 0.130 nan 8.240 nan 0.000 0.518 463 L N 2.821 124.074 121.223 0.051 0.000 2.455 463 L HA 0.316 4.656 4.340 -0.000 0.000 0.272 463 L C -0.051 176.860 176.870 0.068 0.000 1.174 463 L CA 0.137 55.023 54.840 0.077 0.000 0.869 463 L CB 0.199 42.300 42.059 0.070 0.000 1.130 463 L HN 0.362 nan 8.230 nan 0.000 0.474 464 K N 3.299 123.752 120.400 0.089 0.000 2.548 464 K HA 0.621 4.941 4.320 -0.000 0.000 0.282 464 K C -1.722 174.912 176.600 0.057 0.000 1.006 464 K CA -1.046 55.278 56.287 0.062 0.000 0.892 464 K CB 1.741 34.276 32.500 0.058 0.000 1.499 464 K HN 0.245 nan 8.250 nan 0.000 0.433 465 V N 0.521 120.441 119.914 0.009 0.000 2.513 465 V HA 0.666 4.786 4.120 -0.000 0.000 0.299 465 V C 0.159 176.177 176.094 -0.128 0.000 1.035 465 V CA -0.135 62.138 62.300 -0.045 0.000 0.889 465 V CB 1.388 33.204 31.823 -0.011 0.000 0.988 465 V HN 0.984 nan 8.190 nan 0.000 0.440 466 G N 2.506 111.008 108.800 -0.497 0.000 3.022 466 G HA2 0.789 4.749 3.960 -0.000 0.000 0.284 466 G HA3 0.789 4.749 3.960 -0.000 0.000 0.284 466 G C -1.969 172.459 174.900 -0.786 0.000 1.375 466 G CA -0.570 44.168 45.100 -0.604 0.000 0.902 466 G HN 0.523 nan 8.290 nan 0.000 0.538 467 F N 1.158 120.757 119.950 -0.585 0.000 2.596 467 F HA 0.603 5.130 4.527 -0.000 0.000 0.311 467 F C -1.009 174.777 175.800 -0.024 0.000 1.116 467 F CA -0.799 56.940 58.000 -0.435 0.000 0.957 467 F CB 2.208 40.747 39.000 -0.768 0.000 1.250 467 F HN 0.835 nan 8.300 nan 0.000 0.444 468 N N 3.485 121.773 118.700 -0.687 0.000 2.934 468 N HA 0.567 5.307 4.740 -0.000 0.000 0.253 468 N C -0.499 174.563 175.510 -0.747 0.000 1.466 468 N CA -0.281 52.488 53.050 -0.469 0.000 0.858 468 N CB 1.060 39.506 38.487 -0.069 0.000 1.459 468 N HN 0.580 nan 8.380 nan 0.000 0.532 469 A N -0.102 122.521 122.820 -0.327 0.000 1.930 469 A HA 0.015 4.335 4.320 -0.000 0.000 0.217 469 A C 1.743 179.184 177.584 -0.238 0.000 1.175 469 A CA 1.856 53.757 52.037 -0.227 0.000 0.627 469 A CB -0.943 18.009 19.000 -0.080 0.000 0.815 469 A HN 0.417 nan 8.150 nan 0.000 0.443 470 V N -0.684 119.074 119.914 -0.259 0.000 2.307 470 V HA -0.159 3.961 4.120 -0.000 0.000 0.245 470 V C 2.039 177.893 176.094 -0.399 0.000 1.045 470 V CA 1.839 63.935 62.300 -0.340 0.000 1.024 470 V CB -0.771 30.787 31.823 -0.443 0.000 0.651 470 V HN 0.665 nan 8.190 nan 0.000 0.449 471 H N -0.797 118.170 119.070 -0.172 0.000 2.586 471 H HA 0.349 4.905 4.556 -0.000 0.000 0.273 471 H C 1.497 176.760 175.328 -0.109 0.000 0.997 471 H CA 0.553 56.534 56.048 -0.111 0.000 1.177 471 H CB 0.128 29.831 29.762 -0.100 0.000 1.471 471 H HN 0.471 nan 8.280 nan 0.000 0.538 472 G N 1.114 109.776 108.800 -0.231 0.000 2.614 472 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.303 472 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.303 472 G C -0.242 174.460 174.900 -0.329 0.000 1.270 472 G CA 0.280 45.142 45.100 -0.397 0.000 0.988 472 G HN 0.385 nan 8.290 nan 0.000 0.551 473 Y N 1.027 121.392 120.300 0.108 0.000 2.336 473 Y HA 0.558 5.108 4.550 -0.000 0.000 0.331 473 Y C 0.785 176.745 175.900 0.101 0.000 1.211 473 Y CA 0.949 59.117 58.100 0.114 0.000 1.346 473 Y CB 1.010 39.573 38.460 0.172 0.000 1.271 473 Y HN 0.748 nan 8.280 nan 0.000 0.538 474 Y N -0.738 119.684 120.300 0.204 0.000 2.625 474 Y HA 0.741 5.291 4.550 -0.000 0.000 0.338 474 Y C -1.718 174.231 175.900 0.083 0.000 1.123 474 Y CA -2.119 56.029 58.100 0.079 0.000 1.046 474 Y CB 0.759 39.208 38.460 -0.018 0.000 1.299 474 Y HN 0.360 nan 8.280 nan 0.000 0.464 475 I N 2.514 123.224 120.570 0.233 0.000 2.377 475 I HA 0.337 4.507 4.170 -0.000 0.000 0.293 475 I C -0.514 175.827 176.117 0.374 0.000 0.987 475 I CA -0.629 60.782 61.300 0.184 0.000 1.185 475 I CB 1.813 39.803 38.000 -0.016 0.000 1.341 475 I HN 0.663 nan 8.210 nan 0.000 0.455 476 Q N 6.735 126.741 119.800 0.343 0.000 2.316 476 Q HA 0.672 5.011 4.340 -0.000 0.000 0.264 476 Q C -1.430 174.725 176.000 0.258 0.000 0.987 476 Q CA -0.586 55.404 55.803 0.312 0.000 0.852 476 Q CB 1.785 30.708 28.738 0.309 0.000 1.287 476 Q HN 0.586 nan 8.270 nan 0.000 0.448 477 I N 1.987 122.726 120.570 0.282 0.000 2.646 477 I HA 0.297 4.467 4.170 -0.000 0.000 0.299 477 I C 0.142 176.349 176.117 0.149 0.000 1.036 477 I CA -0.930 60.495 61.300 0.209 0.000 1.074 477 I CB 2.191 40.339 38.000 0.246 0.000 1.258 477 I HN 0.691 nan 8.210 nan 0.000 0.430 478 S N 4.828 120.586 115.700 0.096 0.000 2.584 478 S HA 0.171 4.641 4.470 -0.000 0.000 0.270 478 S C 1.234 175.878 174.600 0.073 0.000 1.346 478 S CA -0.235 58.007 58.200 0.071 0.000 1.018 478 S CB 1.181 64.413 63.200 0.053 0.000 0.899 478 S HN 0.797 nan 8.310 nan 0.000 0.542 479 R N 1.761 122.297 120.500 0.060 0.000 2.113 479 R HA -0.129 4.211 4.340 -0.000 0.000 0.244 479 R C 2.215 178.569 176.300 0.091 0.000 1.142 479 R CA 2.035 58.175 56.100 0.066 0.000 0.953 479 R CB -1.336 28.992 30.300 0.046 0.000 0.860 479 R HN 0.887 nan 8.270 nan 0.000 0.438 480 G N -0.544 108.304 108.800 0.081 0.000 2.448 480 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.218 480 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.218 480 G C 1.129 176.094 174.900 0.108 0.000 1.135 480 G CA 0.281 45.445 45.100 0.107 0.000 0.784 480 G HN 0.423 nan 8.290 nan 0.000 0.543 481 Q N 0.425 120.238 119.800 0.022 0.000 2.408 481 Q HA 0.021 4.361 4.340 -0.000 0.000 0.205 481 Q C 2.674 178.549 176.000 -0.208 0.000 0.919 481 Q CA 0.726 56.464 55.803 -0.108 0.000 0.932 481 Q CB 0.297 29.001 28.738 -0.056 0.000 1.058 481 Q HN 0.603 nan 8.270 nan 0.000 0.517 482 S N 0.298 115.976 115.700 -0.036 0.000 2.481 482 S HA -0.167 4.303 4.470 -0.000 0.000 0.231 482 S C 1.635 176.250 174.600 0.025 0.000 0.996 482 S CA 1.144 59.379 58.200 0.058 0.000 0.942 482 S CB -0.514 62.802 63.200 0.192 0.000 0.768 482 S HN 0.637 nan 8.310 nan 0.000 0.520 483 H N 0.860 119.960 119.070 0.050 0.000 2.521 483 H HA 0.251 4.807 4.556 -0.000 0.000 0.286 483 H C 1.424 176.744 175.328 -0.014 0.000 1.034 483 H CA 0.986 57.049 56.048 0.025 0.000 1.278 483 H CB -0.547 29.225 29.762 0.018 0.000 1.386 483 H HN 0.412 nan 8.280 nan 0.000 0.567 484 L N 0.610 121.541 121.223 -0.486 0.000 2.611 484 L HA 0.359 4.699 4.340 -0.000 0.000 0.229 484 L C 0.962 177.666 176.870 -0.277 0.000 1.137 484 L CA -0.181 54.468 54.840 -0.318 0.000 0.901 484 L CB -0.089 41.746 42.059 -0.373 0.000 1.098 484 L HN 0.363 nan 8.230 nan 0.000 0.456 485 A N 1.135 123.788 122.820 -0.278 0.000 2.567 485 A HA 0.255 4.575 4.320 -0.000 0.000 0.240 485 A C -2.039 175.252 177.584 -0.489 0.000 1.053 485 A CA -0.824 50.935 52.037 -0.464 0.000 0.755 485 A CB -0.624 18.095 19.000 -0.469 0.000 0.978 485 A HN 0.007 nan 8.150 nan 0.000 0.507 486 P HA 0.067 nan 4.420 nan 0.000 0.267 486 P C 0.776 177.873 177.300 -0.338 0.000 1.200 486 P CA -0.274 62.509 63.100 -0.527 0.000 0.772 486 P CB 0.421 31.721 31.700 -0.667 0.000 0.855 487 I N 2.207 122.686 120.570 -0.153 0.000 2.830 487 I HA -0.172 3.998 4.170 -0.000 0.000 0.263 487 I C 1.824 177.952 176.117 0.020 0.000 1.230 487 I CA 1.031 62.303 61.300 -0.048 0.000 1.480 487 I CB -0.529 37.456 38.000 -0.026 0.000 1.095 487 I HN 0.374 nan 8.210 nan 0.000 0.455 488 N N -0.513 118.211 118.700 0.039 0.000 2.457 488 N HA -0.196 4.544 4.740 -0.000 0.000 0.180 488 N C 0.212 175.862 175.510 0.235 0.000 1.050 488 N CA 0.401 53.524 53.050 0.122 0.000 0.906 488 N CB -0.409 38.149 38.487 0.118 0.000 0.968 488 N HN 0.156 nan 8.380 nan 0.000 0.445 489 Y N 1.459 121.730 120.300 -0.050 0.000 2.526 489 Y HA 0.173 4.723 4.550 -0.000 0.000 0.330 489 Y C 0.965 176.935 175.900 0.116 0.000 1.156 489 Y CA -0.592 57.479 58.100 -0.047 0.000 1.419 489 Y CB 0.493 38.720 38.460 -0.389 0.000 1.250 489 Y HN -0.039 nan 8.280 nan 0.000 0.540 490 M N 4.793 124.565 119.600 0.287 0.000 2.066 490 M HA 0.302 4.782 4.480 -0.000 0.000 0.340 490 M C 0.100 176.545 176.300 0.242 0.000 1.053 490 M CA -0.455 54.984 55.300 0.230 0.000 0.983 490 M CB 1.099 33.774 32.600 0.126 0.000 1.520 490 M HN 0.562 nan 8.290 nan 0.000 0.428 491 R N 2.025 122.651 120.500 0.211 0.000 2.537 491 R HA 0.146 4.486 4.340 -0.000 0.000 0.280 491 R C 0.688 176.912 176.300 -0.126 0.000 1.058 491 R CA 0.348 56.407 56.100 -0.069 0.000 1.057 491 R CB 0.856 31.117 30.300 -0.065 0.000 0.973 491 R HN 0.592 nan 8.270 nan 0.000 0.438 492 R N 1.373 121.709 120.500 -0.273 0.000 2.635 492 R HA 0.104 4.444 4.340 -0.000 0.000 0.241 492 R C -0.328 175.758 176.300 -0.356 0.000 0.941 492 R CA 0.153 56.093 56.100 -0.266 0.000 1.014 492 R CB 0.868 30.968 30.300 -0.333 0.000 1.517 492 R HN 0.613 nan 8.270 nan 0.000 0.594 493 Q N 0.718 120.260 119.800 -0.429 0.000 2.331 493 Q HA 0.241 4.581 4.340 -0.000 0.000 0.249 493 Q C -1.542 174.290 176.000 -0.279 0.000 0.913 493 Q CA -0.053 55.562 55.803 -0.314 0.000 0.874 493 Q CB 2.073 30.585 28.738 -0.375 0.000 1.384 493 Q HN -0.108 nan 8.270 nan 0.000 0.427 494 T N 3.758 118.206 114.554 -0.177 0.000 2.817 494 T HA 0.470 4.820 4.350 -0.000 0.000 0.293 494 T C -0.467 174.169 174.700 -0.106 0.000 0.964 494 T CA -0.245 61.770 62.100 -0.141 0.000 1.085 494 T CB 0.491 69.303 68.868 -0.093 0.000 0.921 494 T HN 0.329 nan 8.240 nan 0.000 0.502 495 L N 2.553 123.718 121.223 -0.095 0.000 2.313 495 L HA 0.509 4.849 4.340 -0.000 0.000 0.268 495 L C 1.662 178.508 176.870 -0.039 0.000 1.010 495 L CA -0.548 54.252 54.840 -0.066 0.000 0.814 495 L CB 1.258 43.275 42.059 -0.069 0.000 1.304 495 L HN 0.581 nan 8.230 nan 0.000 0.441 496 K N 0.784 121.168 120.400 -0.026 0.000 2.089 496 K HA -0.232 4.088 4.320 -0.000 0.000 0.210 496 K C 0.692 177.289 176.600 -0.006 0.000 1.048 496 K CA 2.349 58.628 56.287 -0.014 0.000 0.926 496 K CB 0.039 32.534 32.500 -0.009 0.000 0.714 496 K HN 0.581 nan 8.250 nan 0.000 0.448 497 N N -0.793 117.905 118.700 -0.003 0.000 2.377 497 N HA 0.273 5.013 4.740 -0.000 0.000 0.259 497 N C -1.766 173.753 175.510 0.014 0.000 1.332 497 N CA 0.115 53.171 53.050 0.009 0.000 0.877 497 N CB 1.638 40.133 38.487 0.014 0.000 1.299 497 N HN 0.340 nan 8.380 nan 0.000 0.501 498 A N -0.575 122.245 122.820 -0.001 0.000 2.601 498 A HA 0.668 4.988 4.320 -0.000 0.000 0.291 498 A C -1.585 175.973 177.584 -0.044 0.000 1.075 498 A CA -0.699 51.340 52.037 0.004 0.000 0.671 498 A CB 1.214 20.223 19.000 0.014 0.000 1.277 498 A HN 0.074 nan 8.150 nan 0.000 0.417 499 E N 0.505 120.678 120.200 -0.044 0.000 2.238 499 E HA 0.574 4.923 4.350 -0.000 0.000 0.267 499 E C -1.005 175.421 176.600 -0.290 0.000 0.887 499 E CA -0.594 55.673 56.400 -0.221 0.000 0.769 499 E CB 2.291 31.837 29.700 -0.257 0.000 1.187 499 E HN 0.569 nan 8.360 nan 0.000 0.416 500 R N 1.573 121.772 120.500 -0.503 0.000 2.637 500 R HA 0.567 4.907 4.340 -0.000 0.000 0.291 500 R C -0.898 175.084 176.300 -0.531 0.000 0.963 500 R CA -0.604 55.276 56.100 -0.367 0.000 0.901 500 R CB 1.384 31.378 30.300 -0.511 0.000 1.160 500 R HN 0.459 nan 8.270 nan 0.000 0.457 501 Y N 1.923 122.198 120.300 -0.041 0.000 2.576 501 Y HA 0.533 5.083 4.550 -0.000 0.000 0.346 501 Y C 0.236 176.085 175.900 -0.085 0.000 1.018 501 Y CA -1.333 56.725 58.100 -0.071 0.000 1.050 501 Y CB 1.730 40.150 38.460 -0.065 0.000 1.280 501 Y HN 0.431 nan 8.280 nan 0.000 0.474 502 I N 1.839 122.460 120.570 0.084 0.000 2.648 502 I HA 0.797 4.967 4.170 -0.000 0.000 0.304 502 I C -0.824 175.283 176.117 -0.017 0.000 1.009 502 I CA -1.080 60.243 61.300 0.038 0.000 1.114 502 I CB 2.174 40.217 38.000 0.070 0.000 1.293 502 I HN 0.679 nan 8.210 nan 0.000 0.449 503 I N 0.724 121.269 120.570 -0.041 0.000 2.892 503 I HA 0.594 4.764 4.170 -0.000 0.000 0.306 503 I C -2.366 173.776 176.117 0.042 0.000 1.078 503 I CA -2.346 58.950 61.300 -0.007 0.000 1.032 503 I CB 1.988 39.959 38.000 -0.049 0.000 1.229 503 I HN 0.280 nan 8.210 nan 0.000 0.435 504 P HA -0.169 nan 4.420 nan 0.000 0.216 504 P C 1.279 178.631 177.300 0.086 0.000 1.150 504 P CA 1.356 64.496 63.100 0.065 0.000 0.837 504 P CB 0.148 31.884 31.700 0.059 0.000 0.786 505 E N -0.842 119.420 120.200 0.104 0.000 2.153 505 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 505 E C 1.749 178.469 176.600 0.199 0.000 0.988 505 E CA 0.656 57.158 56.400 0.170 0.000 0.811 505 E CB -0.385 29.412 29.700 0.163 0.000 0.746 505 E HN 0.048 nan 8.360 nan 0.000 0.466 506 L N 1.015 122.309 121.223 0.119 0.000 2.072 506 L HA -0.129 4.211 4.340 -0.000 0.000 0.205 506 L C 2.128 179.079 176.870 0.136 0.000 1.079 506 L CA 1.516 56.419 54.840 0.105 0.000 0.752 506 L CB -0.164 41.939 42.059 0.074 0.000 0.906 506 L HN -0.051 nan 8.230 nan 0.000 0.436 507 K N -0.428 120.047 120.400 0.124 0.000 2.148 507 K HA -0.180 4.140 4.320 -0.000 0.000 0.204 507 K C 1.903 178.555 176.600 0.087 0.000 1.050 507 K CA 1.124 57.484 56.287 0.122 0.000 0.942 507 K CB -0.166 32.391 32.500 0.095 0.000 0.724 507 K HN 0.509 nan 8.250 nan 0.000 0.446 508 E N 0.215 120.456 120.200 0.067 0.000 2.017 508 E HA -0.201 4.148 4.350 -0.000 0.000 0.193 508 E C 1.645 178.174 176.600 -0.118 0.000 0.997 508 E CA 1.312 57.690 56.400 -0.036 0.000 0.804 508 E CB -0.209 29.460 29.700 -0.052 0.000 0.757 508 E HN 0.323 nan 8.360 nan 0.000 0.448 509 Y N 0.948 121.200 120.300 -0.080 0.000 2.421 509 Y HA -0.106 4.444 4.550 -0.000 0.000 0.292 509 Y C 2.405 178.253 175.900 -0.086 0.000 1.136 509 Y CA 1.385 59.411 58.100 -0.123 0.000 1.255 509 Y CB -0.068 38.297 38.460 -0.158 0.000 0.991 509 Y HN 0.290 nan 8.280 nan 0.000 0.552 510 E N 0.616 120.875 120.200 0.098 0.000 2.058 510 E HA -0.289 4.061 4.350 -0.000 0.000 0.194 510 E C 1.596 178.307 176.600 0.185 0.000 0.997 510 E CA 1.743 58.286 56.400 0.240 0.000 0.801 510 E CB -0.159 29.784 29.700 0.405 0.000 0.746 510 E HN 0.359 nan 8.360 nan 0.000 0.450 511 D N 0.097 120.552 120.400 0.092 0.000 2.144 511 D HA -0.118 4.522 4.640 -0.000 0.000 0.199 511 D C 1.758 178.058 176.300 0.001 0.000 0.984 511 D CA 1.099 55.123 54.000 0.041 0.000 0.834 511 D CB 0.086 40.887 40.800 0.002 0.000 0.955 511 D HN 0.147 nan 8.370 nan 0.000 0.465 512 K N -0.429 119.944 120.400 -0.046 0.000 2.097 512 K HA -0.075 4.245 4.320 -0.000 0.000 0.206 512 K C 2.094 178.706 176.600 0.020 0.000 1.049 512 K CA 0.797 57.054 56.287 -0.050 0.000 0.933 512 K CB 0.047 32.460 32.500 -0.145 0.000 0.717 512 K HN 0.055 nan 8.250 nan 0.000 0.442 513 V N 1.582 121.529 119.914 0.054 0.000 2.379 513 V HA -0.186 3.934 4.120 -0.000 0.000 0.245 513 V C 2.126 178.250 176.094 0.049 0.000 1.044 513 V CA 1.472 63.818 62.300 0.076 0.000 1.036 513 V CB -0.321 31.586 31.823 0.140 0.000 0.664 513 V HN 0.274 nan 8.190 nan 0.000 0.453 514 L N 0.413 121.674 121.223 0.064 0.000 2.179 514 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 514 L C 2.768 179.623 176.870 -0.025 0.000 1.096 514 L CA 1.867 56.725 54.840 0.031 0.000 0.779 514 L CB -0.919 41.191 42.059 0.085 0.000 0.922 514 L HN 0.580 nan 8.230 nan 0.000 0.443 515 T N -4.589 109.941 114.554 -0.041 0.000 2.896 515 T HA -0.069 4.281 4.350 -0.000 0.000 0.263 515 T C 2.041 176.618 174.700 -0.204 0.000 1.050 515 T CA 1.158 63.188 62.100 -0.116 0.000 1.140 515 T CB -0.170 68.636 68.868 -0.104 0.000 0.877 515 T HN 0.100 nan 8.240 nan 0.000 0.457 516 S N 1.435 117.073 115.700 -0.102 0.000 2.355 516 S HA -0.008 4.462 4.470 -0.000 0.000 0.222 516 S C 2.107 176.665 174.600 -0.070 0.000 1.031 516 S CA 0.992 59.166 58.200 -0.044 0.000 0.993 516 S CB -0.278 63.005 63.200 0.140 0.000 0.859 516 S HN 0.521 nan 8.310 nan 0.000 0.453 517 K N 0.538 120.912 120.400 -0.043 0.000 2.057 517 K HA -0.069 4.251 4.320 -0.000 0.000 0.207 517 K C 2.343 178.890 176.600 -0.088 0.000 1.049 517 K CA 1.174 57.435 56.287 -0.044 0.000 0.931 517 K CB -0.545 31.929 32.500 -0.043 0.000 0.714 517 K HN 0.430 nan 8.250 nan 0.000 0.440 518 G N 1.578 110.304 108.800 -0.123 0.000 2.402 518 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.216 518 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.216 518 G C 1.362 176.141 174.900 -0.201 0.000 1.162 518 G CA 0.703 45.721 45.100 -0.137 0.000 0.777 518 G HN 0.228 nan 8.290 nan 0.000 0.539 519 K N 0.549 120.735 120.400 -0.357 0.000 2.057 519 K HA 0.079 4.399 4.320 -0.000 0.000 0.207 519 K C 2.925 179.335 176.600 -0.317 0.000 1.049 519 K CA 1.036 57.002 56.287 -0.534 0.000 0.931 519 K CB -0.221 31.494 32.500 -1.309 0.000 0.714 519 K HN 0.255 nan 8.250 nan 0.000 0.440 520 A N 1.136 123.847 122.820 -0.181 0.000 1.933 520 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 520 A C 2.076 179.661 177.584 0.001 0.000 1.175 520 A CA 1.163 53.213 52.037 0.021 0.000 0.628 520 A CB -0.475 18.578 19.000 0.088 0.000 0.814 520 A HN 0.227 nan 8.150 nan 0.000 0.444 521 L N -0.277 120.922 121.223 -0.040 0.000 2.027 521 L HA 0.003 4.343 4.340 -0.000 0.000 0.206 521 L C 2.663 179.513 176.870 -0.034 0.000 1.074 521 L CA 2.170 56.988 54.840 -0.036 0.000 0.745 521 L CB -0.837 41.193 42.059 -0.049 0.000 0.898 521 L HN 0.321 nan 8.230 nan 0.000 0.433 522 A N -1.011 121.778 122.820 -0.051 0.000 1.972 522 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 522 A C 2.205 179.785 177.584 -0.005 0.000 1.169 522 A CA 1.821 53.835 52.037 -0.038 0.000 0.635 522 A CB -0.802 18.161 19.000 -0.061 0.000 0.810 522 A HN 0.452 nan 8.150 nan 0.000 0.446 523 L N -0.176 121.054 121.223 0.011 0.000 2.095 523 L HA -0.044 4.296 4.340 -0.000 0.000 0.204 523 L C 2.228 179.143 176.870 0.075 0.000 1.080 523 L CA 1.848 56.724 54.840 0.060 0.000 0.759 523 L CB -0.534 41.593 42.059 0.113 0.000 0.914 523 L HN 0.461 nan 8.230 nan 0.000 0.439 524 E N -0.532 119.706 120.200 0.063 0.000 2.085 524 E HA -0.279 4.071 4.350 -0.000 0.000 0.194 524 E C 2.107 178.745 176.600 0.063 0.000 0.994 524 E CA 1.417 57.857 56.400 0.067 0.000 0.801 524 E CB -0.043 29.673 29.700 0.027 0.000 0.743 524 E HN 0.478 nan 8.360 nan 0.000 0.453 525 K N 0.255 120.671 120.400 0.026 0.000 2.057 525 K HA -0.121 4.199 4.320 -0.000 0.000 0.206 525 K C 2.282 178.918 176.600 0.060 0.000 1.050 525 K CA 0.873 57.173 56.287 0.022 0.000 0.935 525 K CB 0.074 32.568 32.500 -0.010 0.000 0.715 525 K HN 0.012 nan 8.250 nan 0.000 0.439 526 Q N 0.654 120.485 119.800 0.052 0.000 2.119 526 Q HA -0.059 4.281 4.340 -0.000 0.000 0.201 526 Q C 2.216 178.254 176.000 0.064 0.000 0.972 526 Q CA 1.134 56.967 55.803 0.049 0.000 0.847 526 Q CB -0.121 28.643 28.738 0.043 0.000 0.903 526 Q HN 0.345 nan 8.270 nan 0.000 0.433 527 L N -0.676 120.608 121.223 0.101 0.000 2.083 527 L HA -0.194 4.146 4.340 -0.000 0.000 0.209 527 L C 2.347 179.278 176.870 0.103 0.000 1.083 527 L CA 1.162 56.092 54.840 0.149 0.000 0.752 527 L CB -0.528 41.675 42.059 0.240 0.000 0.899 527 L HN 0.160 nan 8.230 nan 0.000 0.433 528 Y N 0.835 121.097 120.300 -0.062 0.000 2.200 528 Y HA -0.210 4.340 4.550 -0.000 0.000 0.290 528 Y C 2.637 178.325 175.900 -0.353 0.000 1.137 528 Y CA 1.453 59.440 58.100 -0.188 0.000 1.163 528 Y CB 0.100 38.442 38.460 -0.196 0.000 0.988 528 Y HN 0.104 nan 8.280 nan 0.000 0.518 529 E N 0.358 120.445 120.200 -0.188 0.000 2.110 529 E HA -0.253 4.097 4.350 -0.000 0.000 0.193 529 E C 2.019 178.520 176.600 -0.165 0.000 0.988 529 E CA 1.409 57.654 56.400 -0.259 0.000 0.804 529 E CB -0.296 29.376 29.700 -0.046 0.000 0.745 529 E HN 0.703 nan 8.360 nan 0.000 0.458 530 E N 0.663 120.818 120.200 -0.074 0.000 2.204 530 E HA -0.120 4.230 4.350 -0.000 0.000 0.194 530 E C 2.136 178.736 176.600 -0.000 0.000 0.989 530 E CA 0.297 56.698 56.400 0.001 0.000 0.824 530 E CB 0.005 29.732 29.700 0.046 0.000 0.756 530 E HN 0.187 nan 8.360 nan 0.000 0.477 531 L N 0.049 121.206 121.223 -0.109 0.000 2.083 531 L HA -0.154 4.186 4.340 -0.000 0.000 0.209 531 L C 2.237 179.144 176.870 0.061 0.000 1.083 531 L CA 0.683 55.474 54.840 -0.082 0.000 0.752 531 L CB -0.454 41.451 42.059 -0.256 0.000 0.899 531 L HN 0.207 nan 8.230 nan 0.000 0.433 532 F N 0.781 120.650 119.950 -0.135 0.000 2.126 532 F HA -0.223 4.304 4.527 -0.000 0.000 0.299 532 F C 2.401 178.189 175.800 -0.020 0.000 1.096 532 F CA 0.995 58.945 58.000 -0.084 0.000 1.255 532 F CB -1.066 37.886 39.000 -0.081 0.000 0.997 532 F HN 0.175 nan 8.300 nan 0.000 0.479 533 D N 0.086 120.598 120.400 0.187 0.000 2.178 533 D HA -0.142 4.498 4.640 -0.000 0.000 0.201 533 D C 2.427 178.795 176.300 0.114 0.000 0.980 533 D CA 1.002 55.075 54.000 0.121 0.000 0.842 533 D CB -0.433 40.420 40.800 0.089 0.000 0.948 533 D HN 0.260 nan 8.370 nan 0.000 0.472 534 L N -0.332 120.967 121.223 0.127 0.000 2.307 534 L HA 0.047 4.387 4.340 -0.000 0.000 0.211 534 L C 2.296 179.298 176.870 0.219 0.000 1.099 534 L CA 0.267 55.198 54.840 0.152 0.000 0.816 534 L CB -0.008 42.128 42.059 0.129 0.000 0.952 534 L HN -0.012 nan 8.230 nan 0.000 0.455 535 L N -0.878 120.458 121.223 0.188 0.000 2.127 535 L HA -0.115 4.224 4.340 -0.000 0.000 0.203 535 L C 2.354 179.346 176.870 0.204 0.000 1.080 535 L CA 0.816 55.779 54.840 0.206 0.000 0.768 535 L CB -0.343 41.801 42.059 0.141 0.000 0.924 535 L HN 0.182 nan 8.230 nan 0.000 0.444 536 L N 0.002 121.291 121.223 0.111 0.000 2.187 536 L HA -0.161 4.178 4.340 -0.000 0.000 0.213 536 L C -0.295 176.586 176.870 0.018 0.000 1.100 536 L CA 1.162 56.028 54.840 0.044 0.000 0.765 536 L CB -1.423 40.643 42.059 0.013 0.000 0.904 536 L HN 0.243 nan 8.230 nan 0.000 0.437 537 P HA -0.139 nan 4.420 nan 0.000 0.222 537 P C 0.672 177.796 177.300 -0.293 0.000 1.147 537 P CA 1.361 64.354 63.100 -0.178 0.000 0.790 537 P CB -0.051 31.496 31.700 -0.255 0.000 0.780 538 H N -2.100 117.008 119.070 0.064 0.000 2.526 538 H HA 0.129 4.685 4.556 -0.000 0.000 0.274 538 H C 1.601 176.973 175.328 0.073 0.000 0.999 538 H CA -0.232 55.873 56.048 0.094 0.000 1.157 538 H CB -0.509 29.324 29.762 0.119 0.000 1.407 538 H HN -0.004 nan 8.280 nan 0.000 0.568 539 L N 1.169 122.451 121.223 0.098 0.000 2.042 539 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 539 L C 2.294 179.214 176.870 0.083 0.000 1.076 539 L CA 1.875 56.755 54.840 0.066 0.000 0.749 539 L CB -0.326 41.755 42.059 0.036 0.000 0.893 539 L HN 0.346 nan 8.230 nan 0.000 0.432 540 E N -0.693 119.561 120.200 0.090 0.000 2.058 540 E HA -0.260 4.090 4.350 -0.000 0.000 0.194 540 E C 2.074 178.755 176.600 0.135 0.000 0.997 540 E CA 1.295 57.755 56.400 0.100 0.000 0.801 540 E CB -0.227 29.524 29.700 0.085 0.000 0.746 540 E HN 0.625 nan 8.360 nan 0.000 0.450 541 A N 0.790 123.725 122.820 0.192 0.000 1.930 541 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 541 A C 2.191 179.981 177.584 0.344 0.000 1.175 541 A CA 1.081 53.298 52.037 0.300 0.000 0.627 541 A CB -0.577 18.679 19.000 0.427 0.000 0.815 541 A HN 0.310 nan 8.150 nan 0.000 0.443 542 L N -0.935 120.387 121.223 0.165 0.000 2.056 542 L HA -0.241 4.099 4.340 -0.000 0.000 0.207 542 L C 2.855 179.747 176.870 0.037 0.000 1.078 542 L CA 1.488 56.298 54.840 -0.051 0.000 0.749 542 L CB -0.613 41.364 42.059 -0.136 0.000 0.901 542 L HN 0.468 nan 8.230 nan 0.000 0.433 543 Q N -0.438 119.401 119.800 0.066 0.000 2.124 543 Q HA -0.250 4.090 4.340 -0.000 0.000 0.202 543 Q C 2.295 178.347 176.000 0.088 0.000 0.977 543 Q CA 1.454 57.297 55.803 0.067 0.000 0.850 543 Q CB -0.094 28.690 28.738 0.076 0.000 0.901 543 Q HN 0.563 nan 8.270 nan 0.000 0.429 544 Q N -0.254 119.617 119.800 0.118 0.000 2.050 544 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 544 Q C 2.298 178.378 176.000 0.133 0.000 0.980 544 Q CA 1.413 57.288 55.803 0.121 0.000 0.840 544 Q CB -0.176 28.639 28.738 0.128 0.000 0.898 544 Q HN 0.234 nan 8.270 nan 0.000 0.424 545 S N 0.380 116.195 115.700 0.192 0.000 2.359 545 S HA -0.234 4.236 4.470 -0.000 0.000 0.223 545 S C 2.016 176.689 174.600 0.122 0.000 1.039 545 S CA 1.421 59.747 58.200 0.209 0.000 1.042 545 S CB -0.264 63.154 63.200 0.365 0.000 0.915 545 S HN 0.459 nan 8.310 nan 0.000 0.439 546 A N 0.267 123.135 122.820 0.080 0.000 1.972 546 A HA -0.018 4.302 4.320 -0.000 0.000 0.219 546 A C 2.426 180.034 177.584 0.041 0.000 1.169 546 A CA 2.063 54.124 52.037 0.040 0.000 0.635 546 A CB -1.238 17.767 19.000 0.009 0.000 0.810 546 A HN 0.641 nan 8.150 nan 0.000 0.446 547 S N -0.327 115.408 115.700 0.058 0.000 2.368 547 S HA 0.006 4.476 4.470 -0.000 0.000 0.224 547 S C 2.169 176.808 174.600 0.065 0.000 1.029 547 S CA 1.468 59.706 58.200 0.062 0.000 0.988 547 S CB -0.450 62.795 63.200 0.076 0.000 0.838 547 S HN 0.794 nan 8.310 nan 0.000 0.462 548 A N 1.408 124.271 122.820 0.072 0.000 1.902 548 A HA 0.083 4.403 4.320 -0.000 0.000 0.217 548 A C 2.207 179.820 177.584 0.048 0.000 1.181 548 A CA 1.417 53.494 52.037 0.067 0.000 0.623 548 A CB -0.788 18.255 19.000 0.072 0.000 0.818 548 A HN 0.579 nan 8.150 nan 0.000 0.443 549 L N -0.860 120.389 121.223 0.044 0.000 2.093 549 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 549 L C 3.058 179.926 176.870 -0.003 0.000 1.085 549 L CA 0.943 55.797 54.840 0.023 0.000 0.755 549 L CB -0.496 41.580 42.059 0.028 0.000 0.904 549 L HN 0.426 nan 8.230 nan 0.000 0.435 550 A N -0.157 122.659 122.820 -0.007 0.000 1.898 550 A HA -0.250 4.070 4.320 -0.000 0.000 0.216 550 A C 2.280 179.819 177.584 -0.075 0.000 1.181 550 A CA 1.831 53.843 52.037 -0.043 0.000 0.620 550 A CB -0.457 18.522 19.000 -0.035 0.000 0.819 550 A HN 0.460 nan 8.150 nan 0.000 0.442 551 E N -0.344 119.843 120.200 -0.021 0.000 2.106 551 E HA -0.121 4.229 4.350 -0.000 0.000 0.192 551 E C 1.928 178.521 176.600 -0.011 0.000 0.984 551 E CA 0.787 57.186 56.400 -0.002 0.000 0.806 551 E CB -0.192 29.591 29.700 0.139 0.000 0.750 551 E HN 0.579 nan 8.360 nan 0.000 0.458 552 L N 1.099 122.324 121.223 0.003 0.000 2.012 552 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 552 L C 2.430 179.281 176.870 -0.032 0.000 1.073 552 L CA 1.685 56.523 54.840 -0.004 0.000 0.748 552 L CB -0.377 41.681 42.059 -0.002 0.000 0.891 552 L HN 0.259 nan 8.230 nan 0.000 0.431 553 D N -0.472 119.897 120.400 -0.051 0.000 2.116 553 D HA -0.187 4.453 4.640 -0.000 0.000 0.193 553 D C 2.116 178.355 176.300 -0.102 0.000 0.998 553 D CA 1.566 55.525 54.000 -0.068 0.000 0.836 553 D CB -0.042 40.713 40.800 -0.075 0.000 0.951 553 D HN 0.083 nan 8.370 nan 0.000 0.449 554 V N 0.412 120.220 119.914 -0.177 0.000 2.295 554 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 554 V C 2.742 178.755 176.094 -0.136 0.000 1.049 554 V CA 1.368 63.505 62.300 -0.271 0.000 1.024 554 V CB -0.434 30.993 31.823 -0.660 0.000 0.648 554 V HN 0.270 nan 8.190 nan 0.000 0.447 555 L N -0.784 120.405 121.223 -0.056 0.000 2.109 555 L HA -0.079 4.261 4.340 -0.000 0.000 0.207 555 L C 2.451 179.320 176.870 -0.002 0.000 1.086 555 L CA 0.745 55.605 54.840 0.034 0.000 0.760 555 L CB -0.546 41.569 42.059 0.092 0.000 0.910 555 L HN 0.168 nan 8.230 nan 0.000 0.437 556 V N 0.705 120.609 119.914 -0.017 0.000 2.407 556 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 556 V C 2.257 178.335 176.094 -0.026 0.000 1.055 556 V CA 2.296 64.585 62.300 -0.017 0.000 1.049 556 V CB -0.753 31.064 31.823 -0.012 0.000 0.662 556 V HN 0.592 nan 8.190 nan 0.000 0.455 557 N N 0.251 118.929 118.700 -0.036 0.000 2.106 557 N HA -0.135 4.605 4.740 -0.000 0.000 0.188 557 N C 1.732 177.225 175.510 -0.029 0.000 1.029 557 N CA 1.490 54.518 53.050 -0.036 0.000 0.848 557 N CB -0.309 38.148 38.487 -0.050 0.000 1.007 557 N HN 0.427 nan 8.380 nan 0.000 0.423 558 L N -0.201 121.012 121.223 -0.017 0.000 2.187 558 L HA -0.091 4.249 4.340 -0.000 0.000 0.213 558 L C 2.473 179.312 176.870 -0.052 0.000 1.100 558 L CA 1.092 55.936 54.840 0.006 0.000 0.765 558 L CB -0.581 41.514 42.059 0.061 0.000 0.904 558 L HN 0.344 nan 8.230 nan 0.000 0.437 559 A N -0.496 122.280 122.820 -0.073 0.000 1.897 559 A HA -0.195 4.125 4.320 -0.000 0.000 0.215 559 A C 2.349 179.886 177.584 -0.078 0.000 1.181 559 A CA 1.405 53.368 52.037 -0.123 0.000 0.620 559 A CB -0.389 18.557 19.000 -0.090 0.000 0.821 559 A HN 0.362 nan 8.150 nan 0.000 0.443 560 E N 0.098 120.273 120.200 -0.043 0.000 2.072 560 E HA -0.214 4.136 4.350 -0.000 0.000 0.191 560 E C 2.145 178.725 176.600 -0.034 0.000 0.985 560 E CA 0.992 57.385 56.400 -0.011 0.000 0.801 560 E CB -0.223 29.469 29.700 -0.013 0.000 0.750 560 E HN 0.279 nan 8.360 nan 0.000 0.452 561 R N 0.679 121.135 120.500 -0.073 0.000 2.080 561 R HA -0.050 4.290 4.340 -0.000 0.000 0.236 561 R C 2.366 178.482 176.300 -0.306 0.000 1.137 561 R CA 1.509 57.512 56.100 -0.161 0.000 0.943 561 R CB -1.556 28.696 30.300 -0.080 0.000 0.846 561 R HN 0.285 nan 8.270 nan 0.000 0.431 562 A N -0.373 122.351 122.820 -0.161 0.000 1.908 562 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 562 A C 2.170 179.731 177.584 -0.039 0.000 1.181 562 A CA 1.563 53.550 52.037 -0.083 0.000 0.627 562 A CB -0.725 18.228 19.000 -0.078 0.000 0.818 562 A HN 0.401 nan 8.150 nan 0.000 0.445 563 Y N 0.821 121.037 120.300 -0.140 0.000 2.206 563 Y HA -0.091 4.459 4.550 -0.000 0.000 0.292 563 Y C 2.785 178.624 175.900 -0.103 0.000 1.123 563 Y CA 1.963 60.014 58.100 -0.081 0.000 1.142 563 Y CB -0.734 37.687 38.460 -0.065 0.000 1.006 563 Y HN 0.313 nan 8.280 nan 0.000 0.518 564 T N 0.953 115.463 114.554 -0.073 0.000 2.720 564 T HA -0.174 4.176 4.350 -0.000 0.000 0.268 564 T C 1.609 176.173 174.700 -0.226 0.000 1.037 564 T CA 1.907 63.912 62.100 -0.157 0.000 1.144 564 T CB -0.440 68.366 68.868 -0.103 0.000 0.864 564 T HN 0.258 nan 8.240 nan 0.000 0.444 565 L N 0.743 121.762 121.223 -0.339 0.000 2.700 565 L HA 0.290 4.630 4.340 -0.000 0.000 0.234 565 L C 0.033 176.757 176.870 -0.244 0.000 1.156 565 L CA -0.203 54.405 54.840 -0.387 0.000 0.946 565 L CB -0.315 41.306 42.059 -0.729 0.000 1.216 565 L HN 0.252 nan 8.230 nan 0.000 0.493 566 N N -0.018 118.590 118.700 -0.153 0.000 2.746 566 N HA -0.199 4.541 4.740 -0.000 0.000 0.250 566 N C -0.813 174.841 175.510 0.241 0.000 1.055 566 N CA 0.693 53.753 53.050 0.016 0.000 0.699 566 N CB -1.059 37.434 38.487 0.010 0.000 0.919 566 N HN 0.208 nan 8.380 nan 0.000 0.548 567 Y N 0.207 120.557 120.300 0.083 0.000 2.458 567 Y HA 0.584 5.134 4.550 -0.000 0.000 0.322 567 Y C 1.328 177.323 175.900 0.158 0.000 1.259 567 Y CA -0.653 57.520 58.100 0.121 0.000 1.302 567 Y CB 1.117 39.681 38.460 0.174 0.000 1.314 567 Y HN -0.005 nan 8.280 nan 0.000 0.509 568 T N -0.035 114.639 114.554 0.199 0.000 2.906 568 T HA 0.314 4.663 4.350 -0.000 0.000 0.295 568 T C -1.202 173.247 174.700 -0.418 0.000 1.075 568 T CA -0.493 61.577 62.100 -0.051 0.000 1.005 568 T CB 0.772 69.601 68.868 -0.065 0.000 1.136 568 T HN 0.770 nan 8.240 nan 0.000 0.498 569 C N 6.210 125.017 119.300 -0.822 0.000 2.464 569 C HA 0.601 5.061 4.460 -0.000 0.000 0.370 569 C C -1.995 172.699 174.990 -0.492 0.000 1.267 569 C CA -1.581 56.863 59.018 -0.958 0.000 1.781 569 C CB -0.438 26.717 27.740 -0.974 0.000 2.431 569 C HN 0.634 nan 8.230 nan 0.000 0.556 570 P HA 0.295 nan 4.420 nan 0.000 0.277 570 P C -0.462 176.476 177.300 -0.604 0.000 1.240 570 P CA 0.207 63.029 63.100 -0.464 0.000 0.798 570 P CB 0.818 32.225 31.700 -0.489 0.000 0.979 571 T N -1.338 112.906 114.554 -0.517 0.000 2.925 571 T HA 0.653 5.003 4.350 -0.000 0.000 0.285 571 T C -0.452 173.912 174.700 -0.559 0.000 1.021 571 T CA -0.560 61.239 62.100 -0.502 0.000 1.042 571 T CB 0.451 69.185 68.868 -0.223 0.000 1.037 571 T HN 0.063 nan 8.240 nan 0.000 0.481 572 F N 1.646 121.560 119.950 -0.062 0.000 2.421 572 F HA 0.639 5.166 4.527 -0.000 0.000 0.337 572 F C 0.485 176.288 175.800 0.004 0.000 1.105 572 F CA -1.575 56.407 58.000 -0.030 0.000 1.049 572 F CB 1.097 40.076 39.000 -0.034 0.000 1.139 572 F HN 0.697 nan 8.300 nan 0.000 0.479 573 I N -1.546 119.150 120.570 0.210 0.000 3.023 573 I HA 0.580 4.750 4.170 -0.000 0.000 0.312 573 I C 0.082 176.288 176.117 0.148 0.000 1.056 573 I CA -0.822 60.560 61.300 0.137 0.000 1.033 573 I CB 1.631 39.685 38.000 0.090 0.000 1.233 573 I HN 0.324 nan 8.210 nan 0.000 0.462 574 D N 1.171 121.637 120.400 0.109 0.000 2.194 574 D HA 0.042 4.682 4.640 -0.000 0.000 0.204 574 D C 0.228 176.605 176.300 0.128 0.000 0.964 574 D CA 1.389 55.450 54.000 0.102 0.000 0.846 574 D CB 0.157 41.002 40.800 0.075 0.000 0.962 574 D HN 0.436 nan 8.370 nan 0.000 0.490 575 K N 0.743 121.215 120.400 0.120 0.000 2.221 575 K HA 0.411 4.731 4.320 -0.000 0.000 0.243 575 K C -2.615 174.059 176.600 0.124 0.000 0.968 575 K CA -2.033 54.329 56.287 0.125 0.000 0.846 575 K CB 1.329 33.870 32.500 0.068 0.000 1.141 575 K HN -0.202 nan 8.250 nan 0.000 0.434 576 P HA 0.053 nan 4.420 nan 0.000 0.265 576 P C -0.469 176.866 177.300 0.058 0.000 1.187 576 P CA 0.236 63.384 63.100 0.080 0.000 0.766 576 P CB 0.411 32.084 31.700 -0.045 0.000 0.820 577 G N 1.519 110.365 108.800 0.077 0.000 2.405 577 G HA2 0.475 4.435 3.960 -0.000 0.000 0.303 577 G HA3 0.475 4.435 3.960 -0.000 0.000 0.303 577 G C -1.883 173.060 174.900 0.071 0.000 1.644 577 G CA -0.581 44.555 45.100 0.061 0.000 0.899 577 G HN 0.377 nan 8.290 nan 0.000 0.667 578 I N 0.922 121.522 120.570 0.049 0.000 2.500 578 I HA 0.509 4.679 4.170 -0.000 0.000 0.286 578 I C -0.250 175.882 176.117 0.024 0.000 1.063 578 I CA -0.741 60.583 61.300 0.039 0.000 1.062 578 I CB 2.529 40.550 38.000 0.035 0.000 1.223 578 I HN 0.320 nan 8.210 nan 0.000 0.435 579 R N 6.518 127.025 120.500 0.012 0.000 2.412 579 R HA 0.658 4.998 4.340 -0.000 0.000 0.304 579 R C -1.170 175.128 176.300 -0.004 0.000 1.066 579 R CA -0.397 55.708 56.100 0.009 0.000 0.923 579 R CB 1.692 31.994 30.300 0.005 0.000 1.156 579 R HN 0.547 nan 8.270 nan 0.000 0.513 580 I N 1.801 122.377 120.570 0.010 0.000 2.404 580 I HA 0.338 4.508 4.170 -0.000 0.000 0.293 580 I C -0.158 175.976 176.117 0.028 0.000 0.992 580 I CA -0.603 60.700 61.300 0.006 0.000 1.149 580 I CB 2.452 40.458 38.000 0.010 0.000 1.315 580 I HN 0.385 nan 8.210 nan 0.000 0.446 581 T N 4.965 119.529 114.554 0.017 0.000 2.770 581 T HA 0.214 4.564 4.350 -0.000 0.000 0.283 581 T C -0.256 174.468 174.700 0.041 0.000 0.988 581 T CA -0.423 61.695 62.100 0.030 0.000 0.957 581 T CB 0.841 69.718 68.868 0.015 0.000 0.930 581 T HN 0.540 nan 8.240 nan 0.000 0.443 582 E N 1.109 121.348 120.200 0.065 0.000 2.210 582 E HA -0.141 4.209 4.350 -0.000 0.000 0.201 582 E C 0.546 177.204 176.600 0.096 0.000 1.339 582 E CA 0.614 57.066 56.400 0.086 0.000 0.699 582 E CB -1.301 28.440 29.700 0.069 0.000 1.126 582 E HN 0.901 nan 8.360 nan 0.000 0.355 583 G N 0.719 109.586 108.800 0.112 0.000 2.503 583 G HA2 0.475 4.435 3.960 -0.000 0.000 0.257 583 G HA3 0.475 4.435 3.960 -0.000 0.000 0.257 583 G C 0.198 175.206 174.900 0.180 0.000 1.214 583 G CA -0.541 44.616 45.100 0.094 0.000 0.839 583 G HN 0.153 nan 8.290 nan 0.000 0.559 584 R N -0.483 120.068 120.500 0.085 0.000 2.867 584 R HA 0.335 4.675 4.340 -0.000 0.000 0.268 584 R C -0.753 175.481 176.300 -0.110 0.000 1.014 584 R CA -1.042 55.080 56.100 0.037 0.000 0.946 584 R CB 1.487 31.651 30.300 -0.226 0.000 1.208 584 R HN 0.596 nan 8.270 nan 0.000 0.477 585 H N 4.078 122.934 119.070 -0.357 0.000 2.800 585 H HA 0.112 4.668 4.556 -0.000 0.000 0.291 585 H C -1.673 173.465 175.328 -0.317 0.000 1.076 585 H CA -2.037 53.871 56.048 -0.234 0.000 1.452 585 H CB 1.338 31.063 29.762 -0.062 0.000 1.461 585 H HN 0.364 nan 8.280 nan 0.000 0.488 586 P HA -0.128 nan 4.420 nan 0.000 0.223 586 P C 1.293 178.643 177.300 0.085 0.000 1.151 586 P CA 0.550 63.628 63.100 -0.036 0.000 0.787 586 P CB 0.708 32.357 31.700 -0.085 0.000 0.788 587 V N -0.198 119.865 119.914 0.248 0.000 2.374 587 V HA -0.101 4.019 4.120 -0.000 0.000 0.241 587 V C 2.787 178.928 176.094 0.078 0.000 1.034 587 V CA 1.119 63.530 62.300 0.185 0.000 1.037 587 V CB -1.125 30.843 31.823 0.242 0.000 0.682 587 V HN -0.106 nan 8.190 nan 0.000 0.463 588 V N 1.708 121.626 119.914 0.008 0.000 2.392 588 V HA -0.295 3.825 4.120 -0.000 0.000 0.249 588 V C 2.632 178.701 176.094 -0.043 0.000 1.059 588 V CA 2.438 64.682 62.300 -0.093 0.000 1.051 588 V CB -0.868 30.860 31.823 -0.159 0.000 0.658 588 V HN 0.885 nan 8.190 nan 0.000 0.455 589 E N -0.279 119.786 120.200 -0.225 0.000 2.204 589 E HA -0.253 4.097 4.350 -0.000 0.000 0.195 589 E C 1.890 178.471 176.600 -0.032 0.000 0.990 589 E CA 1.196 57.481 56.400 -0.191 0.000 0.821 589 E CB -0.204 29.260 29.700 -0.394 0.000 0.750 589 E HN 0.556 nan 8.360 nan 0.000 0.477 590 Q N 0.525 120.316 119.800 -0.015 0.000 2.376 590 Q HA 0.027 4.367 4.340 -0.000 0.000 0.206 590 Q C 2.419 178.427 176.000 0.014 0.000 0.921 590 Q CA 1.244 57.051 55.803 0.006 0.000 0.911 590 Q CB 1.019 29.764 28.738 0.011 0.000 1.032 590 Q HN 0.493 nan 8.270 nan 0.000 0.510 591 V N -3.150 116.775 119.914 0.017 0.000 2.672 591 V HA 0.203 4.323 4.120 -0.000 0.000 0.242 591 V C 1.169 177.277 176.094 0.023 0.000 1.059 591 V CA 0.162 62.473 62.300 0.018 0.000 1.081 591 V CB -0.216 31.617 31.823 0.016 0.000 0.752 591 V HN 0.025 nan 8.190 nan 0.000 0.472 592 L N 2.127 123.370 121.223 0.034 0.000 2.397 592 L HA 0.308 4.648 4.340 -0.000 0.000 0.271 592 L C 0.617 177.511 176.870 0.039 0.000 1.148 592 L CA 0.319 55.183 54.840 0.039 0.000 0.825 592 L CB 0.579 42.671 42.059 0.055 0.000 1.117 592 L HN 0.338 nan 8.230 nan 0.000 0.456 593 N N 0.895 119.612 118.700 0.028 0.000 2.268 593 N HA 0.015 4.755 4.740 -0.000 0.000 0.204 593 N C -0.125 175.397 175.510 0.020 0.000 1.124 593 N CA -0.165 52.899 53.050 0.023 0.000 0.838 593 N CB 0.470 38.967 38.487 0.017 0.000 0.994 593 N HN 0.516 nan 8.380 nan 0.000 0.489 594 E N 1.350 121.561 120.200 0.019 0.000 2.283 594 E HA 0.269 4.618 4.350 -0.000 0.000 0.271 594 E C -2.366 174.237 176.600 0.006 0.000 1.031 594 E CA -2.251 54.148 56.400 -0.001 0.000 0.868 594 E CB 0.709 30.396 29.700 -0.021 0.000 1.094 594 E HN -0.057 nan 8.360 nan 0.000 0.401 595 P HA 0.050 nan 4.420 nan 0.000 0.268 595 P C -1.107 176.185 177.300 -0.013 0.000 1.204 595 P CA 0.064 63.167 63.100 0.006 0.000 0.768 595 P CB 0.193 31.881 31.700 -0.020 0.000 0.842 596 F N 3.801 123.720 119.950 -0.052 0.000 2.438 596 F HA 0.224 4.751 4.527 -0.000 0.000 0.356 596 F C 0.246 176.024 175.800 -0.035 0.000 1.099 596 F CA -0.494 57.474 58.000 -0.054 0.000 1.185 596 F CB 0.377 39.374 39.000 -0.005 0.000 1.115 596 F HN 0.133 nan 8.300 nan 0.000 0.526 597 I N 6.821 126.991 120.570 -0.668 0.000 2.291 597 I HA 0.227 4.397 4.170 -0.000 0.000 0.292 597 I C 0.671 176.683 176.117 -0.175 0.000 1.064 597 I CA -0.474 60.639 61.300 -0.313 0.000 1.269 597 I CB -0.230 37.605 38.000 -0.273 0.000 1.418 597 I HN 0.620 nan 8.210 nan 0.000 0.485 598 A N 7.538 130.433 122.820 0.125 0.000 2.466 598 A HA 0.376 4.696 4.320 -0.000 0.000 0.238 598 A C 0.257 177.926 177.584 0.141 0.000 1.074 598 A CA -0.076 52.101 52.037 0.233 0.000 0.774 598 A CB 0.239 19.356 19.000 0.195 0.000 1.015 598 A HN 0.785 nan 8.150 nan 0.000 0.498 599 N N 0.688 119.507 118.700 0.198 0.000 2.284 599 N HA 0.565 5.305 4.740 -0.000 0.000 0.289 599 N C -3.131 172.499 175.510 0.200 0.000 1.179 599 N CA -1.024 52.128 53.050 0.170 0.000 0.774 599 N CB 2.598 41.212 38.487 0.212 0.000 1.548 599 N HN 0.426 nan 8.380 nan 0.000 0.473 600 P HA 0.374 nan 4.420 nan 0.000 0.278 600 P C -1.005 176.431 177.300 0.228 0.000 1.258 600 P CA -0.533 62.652 63.100 0.143 0.000 0.811 600 P CB 1.341 33.091 31.700 0.083 0.000 1.063 601 L N 1.623 122.939 121.223 0.155 0.000 2.455 601 L HA 0.597 4.937 4.340 -0.000 0.000 0.264 601 L C -1.372 175.549 176.870 0.085 0.000 0.968 601 L CA -0.480 54.449 54.840 0.149 0.000 0.827 601 L CB 1.848 43.955 42.059 0.080 0.000 1.317 601 L HN 0.268 nan 8.230 nan 0.000 0.407 602 N N 4.889 123.639 118.700 0.082 0.000 2.664 602 N HA 0.500 5.240 4.740 -0.000 0.000 0.257 602 N C -2.034 173.505 175.510 0.048 0.000 1.108 602 N CA -0.204 52.878 53.050 0.054 0.000 0.822 602 N CB 0.536 39.051 38.487 0.047 0.000 1.199 602 N HN 0.633 nan 8.380 nan 0.000 0.529 603 L N 1.630 122.876 121.223 0.039 0.000 2.346 603 L HA 0.683 5.022 4.340 -0.000 0.000 0.276 603 L C 0.141 177.026 176.870 0.024 0.000 1.006 603 L CA -0.625 54.234 54.840 0.031 0.000 0.817 603 L CB 1.735 43.814 42.059 0.032 0.000 1.272 603 L HN 0.596 nan 8.230 nan 0.000 0.421 604 S N 1.521 117.230 115.700 0.014 0.000 2.705 604 S HA 0.558 5.028 4.470 -0.000 0.000 0.280 604 S C -2.589 172.006 174.600 -0.008 0.000 1.174 604 S CA -1.167 57.038 58.200 0.008 0.000 0.823 604 S CB 1.906 65.112 63.200 0.009 0.000 1.162 604 S HN 0.283 nan 8.310 nan 0.000 0.487 605 P HA 0.022 nan 4.420 nan 0.000 0.223 605 P C 0.677 177.960 177.300 -0.028 0.000 1.144 605 P CA 1.164 64.244 63.100 -0.033 0.000 0.783 605 P CB -0.025 31.654 31.700 -0.036 0.000 0.771 606 Q N -1.794 117.996 119.800 -0.018 0.000 2.356 606 Q HA 0.131 4.471 4.340 -0.000 0.000 0.205 606 Q C 0.947 176.937 176.000 -0.017 0.000 0.901 606 Q CA 0.342 56.134 55.803 -0.017 0.000 0.938 606 Q CB 0.322 29.054 28.738 -0.011 0.000 1.081 606 Q HN 0.060 nan 8.270 nan 0.000 0.517 607 R N 0.215 120.707 120.500 -0.012 0.000 2.754 607 R HA 0.275 4.615 4.340 -0.000 0.000 0.255 607 R C -0.147 176.151 176.300 -0.004 0.000 1.723 607 R CA 0.013 56.109 56.100 -0.006 0.000 1.596 607 R CB 0.208 30.512 30.300 0.006 0.000 1.424 607 R HN 0.009 nan 8.270 nan 0.000 0.662 608 R N 0.639 121.129 120.500 -0.017 0.000 2.223 608 R HA 0.221 4.561 4.340 -0.000 0.000 0.198 608 R C 0.662 176.958 176.300 -0.007 0.000 0.984 608 R CA 0.604 56.694 56.100 -0.017 0.000 1.018 608 R CB 0.564 30.842 30.300 -0.037 0.000 0.945 608 R HN 0.255 nan 8.270 nan 0.000 0.479 609 M N 1.227 120.819 119.600 -0.013 0.000 2.326 609 M HA 0.360 4.840 4.480 -0.000 0.000 0.292 609 M C -1.875 174.434 176.300 0.015 0.000 1.081 609 M CA -0.561 54.738 55.300 -0.001 0.000 0.919 609 M CB 1.902 34.471 32.600 -0.053 0.000 1.634 609 M HN -0.089 nan 8.290 nan 0.000 0.451 610 L N 5.826 127.090 121.223 0.068 0.000 2.296 610 L HA 0.522 4.862 4.340 -0.000 0.000 0.286 610 L C -0.579 176.367 176.870 0.127 0.000 1.023 610 L CA -1.013 53.882 54.840 0.091 0.000 0.812 610 L CB 1.679 43.821 42.059 0.138 0.000 1.223 610 L HN 0.618 nan 8.230 nan 0.000 0.421 611 I N 5.080 125.705 120.570 0.091 0.000 2.337 611 I HA 0.271 4.441 4.170 -0.000 0.000 0.291 611 I C 0.225 176.434 176.117 0.154 0.000 1.046 611 I CA -0.100 61.282 61.300 0.136 0.000 1.324 611 I CB 0.956 38.978 38.000 0.036 0.000 1.409 611 I HN 0.453 nan 8.210 nan 0.000 0.494 612 I N 6.730 127.415 120.570 0.192 0.000 2.330 612 I HA 0.234 4.403 4.170 -0.000 0.000 0.286 612 I C 0.718 176.935 176.117 0.166 0.000 1.025 612 I CA -0.350 61.051 61.300 0.167 0.000 1.197 612 I CB 1.206 39.306 38.000 0.167 0.000 1.358 612 I HN 0.561 nan 8.210 nan 0.000 0.467 613 T N 2.033 116.697 114.554 0.183 0.000 2.910 613 T HA 0.920 5.270 4.350 -0.000 0.000 0.279 613 T C 0.343 175.169 174.700 0.211 0.000 0.989 613 T CA -0.347 61.870 62.100 0.194 0.000 0.968 613 T CB 2.003 70.996 68.868 0.209 0.000 1.135 613 T HN 1.027 nan 8.240 nan 0.000 0.562 614 G N 0.576 109.505 108.800 0.214 0.000 2.525 614 G HA2 0.138 4.098 3.960 -0.000 0.000 0.685 614 G HA3 0.138 4.098 3.960 -0.000 0.000 0.685 614 G C -3.179 171.827 174.900 0.177 0.000 1.290 614 G CA -0.725 44.519 45.100 0.239 0.000 0.915 614 G HN 0.808 nan 8.290 nan 0.000 0.548 615 P HA 0.117 nan 4.420 nan 0.000 0.267 615 P C 0.370 177.630 177.300 -0.067 0.000 1.200 615 P CA -0.080 63.044 63.100 0.041 0.000 0.772 615 P CB 0.970 32.670 31.700 0.001 0.000 0.855 616 N N 2.239 120.862 118.700 -0.129 0.000 2.358 616 N HA 0.027 4.767 4.740 -0.000 0.000 0.209 616 N C 0.868 176.239 175.510 -0.233 0.000 1.033 616 N CA 0.703 53.674 53.050 -0.132 0.000 1.021 616 N CB -0.670 37.762 38.487 -0.092 0.000 1.244 616 N HN 0.142 nan 8.380 nan 0.000 0.523 617 M N -0.476 118.957 119.600 -0.277 0.000 2.762 617 M HA -0.188 4.292 4.480 -0.000 0.000 0.190 617 M C 0.767 176.950 176.300 -0.196 0.000 0.586 617 M CA 1.265 56.359 55.300 -0.343 0.000 0.620 617 M CB -1.606 30.576 32.600 -0.696 0.000 2.269 617 M HN 0.693 nan 8.290 nan 0.000 0.563 618 G N -2.503 106.227 108.800 -0.117 0.000 2.317 618 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.227 618 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.227 618 G C 1.114 176.013 174.900 -0.001 0.000 1.042 618 G CA 0.659 45.737 45.100 -0.037 0.000 0.623 618 G HN 1.275 nan 8.290 nan 0.000 0.509 619 G N 0.472 109.216 108.800 -0.092 0.000 2.421 619 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.216 619 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.216 619 G C 1.588 176.510 174.900 0.037 0.000 1.171 619 G CA 1.813 46.865 45.100 -0.079 0.000 0.775 619 G HN 0.595 nan 8.290 nan 0.000 0.543 620 K N 0.336 120.744 120.400 0.014 0.000 2.026 620 K HA -0.040 4.280 4.320 -0.000 0.000 0.208 620 K C 2.990 179.676 176.600 0.144 0.000 1.048 620 K CA 1.351 57.694 56.287 0.093 0.000 0.929 620 K CB -0.204 32.329 32.500 0.054 0.000 0.713 620 K HN 0.236 nan 8.250 nan 0.000 0.439 621 S N 0.247 115.998 115.700 0.086 0.000 2.382 621 S HA -0.127 4.343 4.470 -0.000 0.000 0.228 621 S C 1.984 176.669 174.600 0.142 0.000 1.027 621 S CA 1.616 59.868 58.200 0.087 0.000 0.991 621 S CB -0.246 62.982 63.200 0.047 0.000 0.823 621 S HN 0.346 nan 8.310 nan 0.000 0.469 622 T N 0.543 115.202 114.554 0.176 0.000 2.812 622 T HA -0.058 4.292 4.350 -0.000 0.000 0.264 622 T C 1.552 176.457 174.700 0.341 0.000 1.042 622 T CA 1.087 63.342 62.100 0.257 0.000 1.140 622 T CB -0.382 68.630 68.868 0.239 0.000 0.870 622 T HN 0.512 nan 8.240 nan 0.000 0.445 623 Y N 1.310 121.714 120.300 0.173 0.000 2.224 623 Y HA -0.079 4.470 4.550 -0.000 0.000 0.289 623 Y C 2.155 178.129 175.900 0.124 0.000 1.146 623 Y CA 1.270 59.461 58.100 0.151 0.000 1.182 623 Y CB -0.351 38.168 38.460 0.098 0.000 0.983 623 Y HN 0.166 nan 8.280 nan 0.000 0.524 624 M N -0.661 118.973 119.600 0.057 0.000 2.123 624 M HA -0.136 4.344 4.480 -0.000 0.000 0.263 624 M C 2.248 178.533 176.300 -0.025 0.000 1.069 624 M CA 1.665 56.939 55.300 -0.044 0.000 1.133 624 M CB -0.177 32.448 32.600 0.041 0.000 1.356 624 M HN 0.058 nan 8.290 nan 0.000 0.415 625 R N 0.419 120.959 120.500 0.066 0.000 2.115 625 R HA -0.173 4.167 4.340 -0.000 0.000 0.230 625 R C 2.252 178.538 176.300 -0.025 0.000 1.111 625 R CA 1.559 57.697 56.100 0.064 0.000 0.976 625 R CB -0.454 29.951 30.300 0.176 0.000 0.870 625 R HN 0.564 nan 8.270 nan 0.000 0.445 626 Q N 0.081 119.892 119.800 0.019 0.000 2.224 626 Q HA -0.091 4.249 4.340 -0.000 0.000 0.203 626 Q C 1.178 177.096 176.000 -0.136 0.000 0.970 626 Q CA 1.730 57.465 55.803 -0.115 0.000 0.865 626 Q CB -0.171 28.613 28.738 0.077 0.000 0.922 626 Q HN 0.095 nan 8.270 nan 0.000 0.445 627 T N 1.221 115.688 114.554 -0.145 0.000 2.737 627 T HA -0.060 4.290 4.350 -0.000 0.000 0.265 627 T C 2.001 176.650 174.700 -0.085 0.000 1.038 627 T CA 1.447 63.459 62.100 -0.146 0.000 1.144 627 T CB -0.364 68.379 68.868 -0.208 0.000 0.866 627 T HN 0.533 nan 8.240 nan 0.000 0.434 628 A N 0.999 123.777 122.820 -0.070 0.000 1.930 628 A HA 0.079 4.399 4.320 -0.000 0.000 0.217 628 A C 2.282 179.830 177.584 -0.060 0.000 1.175 628 A CA 1.057 53.068 52.037 -0.043 0.000 0.627 628 A CB -0.760 18.224 19.000 -0.027 0.000 0.815 628 A HN 0.463 nan 8.150 nan 0.000 0.443 629 L N -0.746 120.408 121.223 -0.116 0.000 2.156 629 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 629 L C 2.385 179.181 176.870 -0.124 0.000 1.095 629 L CA 0.813 55.565 54.840 -0.146 0.000 0.770 629 L CB -0.363 41.530 42.059 -0.277 0.000 0.914 629 L HN 0.373 nan 8.230 nan 0.000 0.439 630 I N -0.268 120.225 120.570 -0.127 0.000 2.202 630 I HA -0.271 3.899 4.170 -0.000 0.000 0.242 630 I C 2.788 178.883 176.117 -0.037 0.000 1.091 630 I CA 1.133 62.366 61.300 -0.111 0.000 1.368 630 I CB -0.381 37.550 38.000 -0.115 0.000 1.058 630 I HN 0.190 nan 8.210 nan 0.000 0.410 631 A N 0.807 123.636 122.820 0.016 0.000 1.883 631 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 631 A C 2.368 180.072 177.584 0.200 0.000 1.186 631 A CA 1.672 53.793 52.037 0.140 0.000 0.624 631 A CB -0.966 18.107 19.000 0.122 0.000 0.822 631 A HN 0.466 nan 8.150 nan 0.000 0.444 632 L N -1.173 120.104 121.223 0.090 0.000 2.042 632 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 632 L C 2.656 179.584 176.870 0.097 0.000 1.076 632 L CA 2.059 56.951 54.840 0.087 0.000 0.749 632 L CB -0.201 41.864 42.059 0.011 0.000 0.893 632 L HN 0.452 nan 8.230 nan 0.000 0.432 633 M N -0.950 118.671 119.600 0.035 0.000 2.156 633 M HA -0.137 4.343 4.480 -0.000 0.000 0.264 633 M C 2.400 178.722 176.300 0.036 0.000 1.067 633 M CA 1.539 56.854 55.300 0.024 0.000 1.131 633 M CB -0.420 32.149 32.600 -0.052 0.000 1.368 633 M HN 0.445 nan 8.290 nan 0.000 0.416 634 A N -0.397 122.420 122.820 -0.006 0.000 1.908 634 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 634 A C 1.522 179.058 177.584 -0.080 0.000 1.181 634 A CA 1.556 53.541 52.037 -0.086 0.000 0.627 634 A CB -1.104 17.780 19.000 -0.194 0.000 0.818 634 A HN 0.575 nan 8.150 nan 0.000 0.445 635 Y N -0.308 120.072 120.300 0.133 0.000 2.462 635 Y HA 0.236 4.786 4.550 -0.000 0.000 0.293 635 Y C 1.513 177.430 175.900 0.028 0.000 1.195 635 Y CA 0.429 58.580 58.100 0.084 0.000 1.276 635 Y CB -0.097 38.386 38.460 0.039 0.000 1.082 635 Y HN 0.539 nan 8.280 nan 0.000 0.514 636 I N -5.185 115.460 120.570 0.125 0.000 4.082 636 I HA 0.554 4.724 4.170 -0.000 0.000 0.337 636 I C 1.433 177.589 176.117 0.066 0.000 1.352 636 I CA 0.488 61.837 61.300 0.081 0.000 1.097 636 I CB 0.651 38.751 38.000 0.166 0.000 1.048 636 I HN 0.004 nan 8.210 nan 0.000 0.393 637 G N 1.314 110.170 108.800 0.094 0.000 2.159 637 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.227 637 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.227 637 G C 0.313 175.330 174.900 0.195 0.000 0.986 637 G CA 0.198 45.372 45.100 0.123 0.000 0.651 637 G HN 0.568 nan 8.290 nan 0.000 0.523 638 S N -0.397 115.419 115.700 0.193 0.000 2.601 638 S HA 0.654 5.124 4.470 -0.000 0.000 0.271 638 S C 0.759 175.542 174.600 0.305 0.000 1.305 638 S CA -0.600 57.740 58.200 0.234 0.000 1.022 638 S CB 0.386 63.698 63.200 0.187 0.000 0.940 638 S HN 0.264 nan 8.310 nan 0.000 0.525 639 Y N 1.465 121.825 120.300 0.100 0.000 2.279 639 Y HA 0.356 4.906 4.550 -0.000 0.000 0.350 639 Y C 0.817 176.673 175.900 -0.074 0.000 1.288 639 Y CA -0.862 57.277 58.100 0.066 0.000 1.547 639 Y CB 0.147 38.718 38.460 0.186 0.000 1.381 639 Y HN 0.495 nan 8.280 nan 0.000 0.630 640 V N -1.066 118.799 119.914 -0.082 0.000 2.962 640 V HA 0.586 4.706 4.120 -0.000 0.000 0.313 640 V C -2.854 172.922 176.094 -0.529 0.000 1.099 640 V CA -2.907 59.147 62.300 -0.410 0.000 0.971 640 V CB 2.084 33.759 31.823 -0.247 0.000 1.028 640 V HN 0.579 nan 8.190 nan 0.000 0.430 641 P HA 0.522 nan 4.420 nan 0.000 0.263 641 P C -0.335 176.901 177.300 -0.107 0.000 1.601 641 P CA 0.571 63.480 63.100 -0.318 0.000 1.161 641 P CB 0.364 31.886 31.700 -0.297 0.000 1.730 642 A N 3.021 125.820 122.820 -0.036 0.000 2.586 642 A HA 0.328 4.648 4.320 -0.000 0.000 0.291 642 A C 0.767 178.357 177.584 0.010 0.000 1.062 642 A CA -0.460 51.571 52.037 -0.010 0.000 0.666 642 A CB 0.732 19.705 19.000 -0.046 0.000 1.281 642 A HN 0.171 nan 8.150 nan 0.000 0.421 643 Q N 0.111 119.919 119.800 0.014 0.000 2.245 643 Q HA 0.095 4.435 4.340 -0.000 0.000 0.201 643 Q C 0.135 176.123 176.000 -0.019 0.000 0.955 643 Q CA 1.211 57.019 55.803 0.009 0.000 0.870 643 Q CB 0.253 29.001 28.738 0.017 0.000 0.945 643 Q HN 0.537 nan 8.270 nan 0.000 0.461 644 K N -0.395 119.985 120.400 -0.034 0.000 2.580 644 K HA 0.365 4.684 4.320 -0.000 0.000 0.258 644 K C -1.938 174.619 176.600 -0.071 0.000 0.936 644 K CA -0.221 56.030 56.287 -0.059 0.000 0.852 644 K CB 1.998 34.473 32.500 -0.041 0.000 1.329 644 K HN -0.214 nan 8.250 nan 0.000 0.430 645 V N 3.183 123.030 119.914 -0.113 0.000 2.623 645 V HA 0.382 4.502 4.120 -0.000 0.000 0.304 645 V C -1.026 174.976 176.094 -0.154 0.000 1.054 645 V CA -0.782 61.446 62.300 -0.120 0.000 0.882 645 V CB 1.911 33.647 31.823 -0.146 0.000 1.002 645 V HN 0.758 nan 8.190 nan 0.000 0.424 646 E N 4.278 124.415 120.200 -0.106 0.000 2.187 646 E HA 0.714 5.064 4.350 -0.000 0.000 0.268 646 E C -1.136 175.435 176.600 -0.047 0.000 0.896 646 E CA -0.574 55.766 56.400 -0.100 0.000 0.766 646 E CB 3.157 32.827 29.700 -0.051 0.000 1.142 646 E HN 0.596 nan 8.360 nan 0.000 0.408 647 I N 1.546 122.101 120.570 -0.025 0.000 2.656 647 I HA 0.471 4.641 4.170 -0.000 0.000 0.292 647 I C -0.196 176.070 176.117 0.248 0.000 1.144 647 I CA -0.459 60.905 61.300 0.106 0.000 1.038 647 I CB 1.575 39.646 38.000 0.120 0.000 1.244 647 I HN 0.644 nan 8.210 nan 0.000 0.420 648 G N 5.927 114.874 108.800 0.244 0.000 2.537 648 G HA2 0.581 4.541 3.960 -0.000 0.000 0.297 648 G HA3 0.581 4.541 3.960 -0.000 0.000 0.297 648 G C -2.825 172.275 174.900 0.334 0.000 1.310 648 G CA -1.234 44.024 45.100 0.263 0.000 1.027 648 G HN 0.396 nan 8.290 nan 0.000 0.505 649 P HA 0.310 nan 4.420 nan 0.000 0.276 649 P C -0.720 176.625 177.300 0.075 0.000 1.230 649 P CA 0.162 63.337 63.100 0.125 0.000 0.776 649 P CB 1.220 32.942 31.700 0.037 0.000 0.888 650 I N 3.002 123.462 120.570 -0.184 0.000 2.465 650 I HA 0.173 4.343 4.170 -0.000 0.000 0.291 650 I C 1.145 177.136 176.117 -0.209 0.000 1.014 650 I CA -0.500 60.713 61.300 -0.145 0.000 1.093 650 I CB 2.304 40.178 38.000 -0.210 0.000 1.267 650 I HN 0.338 nan 8.210 nan 0.000 0.431 651 D N 5.145 125.502 120.400 -0.072 0.000 2.277 651 D HA 0.053 4.693 4.640 -0.000 0.000 0.209 651 D C 0.363 176.598 176.300 -0.108 0.000 0.970 651 D CA 0.517 54.460 54.000 -0.096 0.000 0.874 651 D CB 0.454 41.238 40.800 -0.027 0.000 0.982 651 D HN 0.417 nan 8.370 nan 0.000 0.504 652 R N -0.657 119.787 120.500 -0.094 0.000 2.680 652 R HA 0.634 4.974 4.340 -0.000 0.000 0.269 652 R C -1.168 175.007 176.300 -0.209 0.000 1.026 652 R CA -0.632 55.342 56.100 -0.210 0.000 0.889 652 R CB 2.104 32.235 30.300 -0.280 0.000 1.241 652 R HN -0.085 nan 8.270 nan 0.000 0.463 653 I N 2.237 122.616 120.570 -0.318 0.000 2.436 653 I HA 0.418 4.588 4.170 -0.000 0.000 0.289 653 I C -1.111 174.804 176.117 -0.335 0.000 1.010 653 I CA -0.590 60.600 61.300 -0.185 0.000 1.098 653 I CB 1.333 39.276 38.000 -0.096 0.000 1.266 653 I HN 0.370 nan 8.210 nan 0.000 0.434 654 F N 3.349 123.302 119.950 0.005 0.000 2.467 654 F HA 0.468 4.995 4.527 -0.000 0.000 0.336 654 F C 0.269 176.072 175.800 0.004 0.000 1.123 654 F CA -0.550 57.455 58.000 0.007 0.000 0.964 654 F CB 2.146 41.153 39.000 0.012 0.000 1.136 654 F HN 0.197 nan 8.300 nan 0.000 0.447 655 T N 2.831 117.480 114.554 0.159 0.000 3.141 655 T HA 0.169 4.518 4.350 -0.000 0.000 0.377 655 T C -0.178 174.568 174.700 0.077 0.000 1.258 655 T CA -0.592 61.563 62.100 0.093 0.000 1.263 655 T CB 0.121 69.021 68.868 0.052 0.000 1.066 655 T HN 0.309 nan 8.240 nan 0.000 0.546 656 R N 3.261 123.801 120.500 0.066 0.000 4.138 656 R HA 0.421 4.761 4.340 -0.000 0.000 0.206 656 R C -1.159 175.143 176.300 0.003 0.000 1.667 656 R CA -0.599 55.518 56.100 0.029 0.000 1.481 656 R CB -1.277 29.027 30.300 0.007 0.000 1.388 656 R HN 0.382 nan 8.270 nan 0.000 0.776 657 V N 1.239 121.162 119.914 0.015 0.000 2.686 657 V HA 0.887 5.007 4.120 -0.000 0.000 0.306 657 V C 0.299 176.402 176.094 0.015 0.000 1.065 657 V CA -0.163 62.143 62.300 0.010 0.000 0.894 657 V CB 1.694 33.532 31.823 0.025 0.000 1.004 657 V HN 0.747 nan 8.190 nan 0.000 0.424 670 F N 3.273 123.235 119.950 0.019 0.000 2.186 670 F HA 0.084 4.611 4.527 -0.000 0.000 0.299 670 F C 2.063 177.881 175.800 0.029 0.000 1.090 670 F CA 1.436 59.452 58.000 0.027 0.000 1.307 670 F CB -0.125 38.895 39.000 0.033 0.000 1.019 670 F HN 0.524 nan 8.300 nan 0.000 0.489 671 M N -0.211 119.391 119.600 0.003 0.000 2.108 671 M HA -0.187 4.293 4.480 -0.000 0.000 0.261 671 M C 2.235 178.469 176.300 -0.111 0.000 1.066 671 M CA 1.315 56.564 55.300 -0.085 0.000 1.107 671 M CB -1.284 31.327 32.600 0.017 0.000 1.356 671 M HN 0.076 nan 8.290 nan 0.000 0.406 672 V N -0.209 119.671 119.914 -0.055 0.000 2.379 672 V HA -0.216 3.903 4.120 -0.000 0.000 0.245 672 V C 2.187 178.242 176.094 -0.066 0.000 1.044 672 V CA 1.478 63.754 62.300 -0.040 0.000 1.036 672 V CB -0.621 31.198 31.823 -0.007 0.000 0.664 672 V HN 0.471 nan 8.190 nan 0.000 0.453 673 E N -0.527 119.619 120.200 -0.091 0.000 2.077 673 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 673 E C 2.253 178.754 176.600 -0.166 0.000 0.989 673 E CA 1.304 57.642 56.400 -0.104 0.000 0.800 673 E CB -0.143 29.515 29.700 -0.071 0.000 0.746 673 E HN 0.372 nan 8.360 nan 0.000 0.452 674 M N 0.105 119.523 119.600 -0.305 0.000 2.254 674 M HA -0.070 4.410 4.480 -0.000 0.000 0.265 674 M C 2.253 178.467 176.300 -0.143 0.000 1.066 674 M CA 1.300 56.424 55.300 -0.295 0.000 1.123 674 M CB -1.013 31.300 32.600 -0.479 0.000 1.388 674 M HN 0.035 nan 8.290 nan 0.000 0.425 675 T N 0.580 115.070 114.554 -0.107 0.000 2.674 675 T HA -0.141 4.209 4.350 -0.000 0.000 0.265 675 T C 1.758 176.449 174.700 -0.015 0.000 1.039 675 T CA 1.411 63.486 62.100 -0.041 0.000 1.150 675 T CB -0.144 68.708 68.868 -0.027 0.000 0.864 675 T HN 0.456 nan 8.240 nan 0.000 0.427 676 E N 0.421 120.609 120.200 -0.020 0.000 2.110 676 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 676 E C 2.402 178.998 176.600 -0.007 0.000 0.988 676 E CA 1.300 57.705 56.400 0.008 0.000 0.804 676 E CB -0.202 29.504 29.700 0.010 0.000 0.745 676 E HN 0.405 nan 8.360 nan 0.000 0.458 677 T N 0.914 115.442 114.554 -0.042 0.000 2.777 677 T HA -0.121 4.229 4.350 -0.000 0.000 0.266 677 T C 2.023 176.677 174.700 -0.077 0.000 1.040 677 T CA 1.098 63.163 62.100 -0.058 0.000 1.141 677 T CB -0.210 68.625 68.868 -0.056 0.000 0.868 677 T HN 0.245 nan 8.240 nan 0.000 0.444 678 A N 2.218 125.002 122.820 -0.060 0.000 1.892 678 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 678 A C 2.155 179.743 177.584 0.007 0.000 1.188 678 A CA 2.314 54.319 52.037 -0.054 0.000 0.631 678 A CB -1.040 17.983 19.000 0.038 0.000 0.822 678 A HN 0.541 nan 8.150 nan 0.000 0.447 679 N N -0.060 118.677 118.700 0.061 0.000 2.104 679 N HA -0.125 4.615 4.740 -0.000 0.000 0.190 679 N C 1.463 176.979 175.510 0.010 0.000 1.024 679 N CA 1.935 55.050 53.050 0.109 0.000 0.853 679 N CB -0.410 38.153 38.487 0.126 0.000 1.008 679 N HN 0.542 nan 8.380 nan 0.000 0.424 680 I N 0.020 120.495 120.570 -0.158 0.000 2.179 680 I HA -0.259 3.911 4.170 -0.000 0.000 0.242 680 I C 1.932 177.783 176.117 -0.442 0.000 1.088 680 I CA 0.906 61.862 61.300 -0.573 0.000 1.357 680 I CB -0.240 37.478 38.000 -0.470 0.000 1.051 680 I HN 0.200 nan 8.210 nan 0.000 0.409 681 L N -0.540 120.521 121.223 -0.270 0.000 2.141 681 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 681 L C 2.587 179.329 176.870 -0.213 0.000 1.094 681 L CA 0.977 55.667 54.840 -0.249 0.000 0.763 681 L CB -0.855 41.049 42.059 -0.258 0.000 0.908 681 L HN 0.345 nan 8.230 nan 0.000 0.437 682 H N -0.118 118.909 119.070 -0.072 0.000 2.462 682 H HA 0.022 4.578 4.556 -0.000 0.000 0.292 682 H C 1.428 176.752 175.328 -0.007 0.000 1.049 682 H CA 0.972 57.002 56.048 -0.029 0.000 1.334 682 H CB 0.244 30.002 29.762 -0.008 0.000 1.404 682 H HN 0.398 nan 8.280 nan 0.000 0.544 683 N N -0.296 118.462 118.700 0.098 0.000 2.239 683 N HA 0.123 4.862 4.740 -0.000 0.000 0.208 683 N C 0.482 176.100 175.510 0.180 0.000 1.200 683 N CA 0.098 53.247 53.050 0.164 0.000 0.895 683 N CB 1.163 39.819 38.487 0.282 0.000 1.085 683 N HN 0.052 nan 8.380 nan 0.000 0.500 684 A N 1.305 124.092 122.820 -0.055 0.000 2.386 684 A HA 0.478 4.798 4.320 -0.000 0.000 0.248 684 A C 0.833 178.455 177.584 0.064 0.000 1.082 684 A CA 0.146 52.177 52.037 -0.009 0.000 0.789 684 A CB 0.245 19.059 19.000 -0.310 0.000 1.025 684 A HN 0.236 nan 8.150 nan 0.000 0.490 685 T N -1.990 112.640 114.554 0.126 0.000 2.858 685 T HA 0.459 4.809 4.350 -0.000 0.000 0.285 685 T C 0.779 175.507 174.700 0.048 0.000 1.052 685 T CA 0.127 62.285 62.100 0.097 0.000 1.009 685 T CB 1.064 70.035 68.868 0.172 0.000 1.241 685 T HN 0.754 nan 8.240 nan 0.000 0.542 686 E N -0.325 119.853 120.200 -0.036 0.000 2.409 686 E HA -0.146 4.204 4.350 -0.000 0.000 0.198 686 E C 0.376 176.809 176.600 -0.279 0.000 1.024 686 E CA 1.021 57.308 56.400 -0.188 0.000 0.861 686 E CB -0.514 29.003 29.700 -0.304 0.000 0.788 686 E HN 0.766 nan 8.360 nan 0.000 0.521 687 Y N 1.198 121.514 120.300 0.026 0.000 2.468 687 Y HA 0.278 4.828 4.550 -0.000 0.000 0.268 687 Y C 0.626 176.542 175.900 0.027 0.000 1.177 687 Y CA -0.267 57.843 58.100 0.017 0.000 1.265 687 Y CB 0.672 39.130 38.460 -0.003 0.000 1.103 687 Y HN -0.106 nan 8.280 nan 0.000 0.522 688 S N 0.998 116.800 115.700 0.170 0.000 2.585 688 S HA 0.411 4.880 4.470 -0.000 0.000 0.277 688 S C -0.861 173.832 174.600 0.155 0.000 1.241 688 S CA -0.572 57.747 58.200 0.198 0.000 1.041 688 S CB 1.173 64.569 63.200 0.327 0.000 0.987 688 S HN 0.167 nan 8.310 nan 0.000 0.512 689 L N 4.143 125.462 121.223 0.160 0.000 2.287 689 L HA 0.634 4.974 4.340 -0.000 0.000 0.287 689 L C -1.225 175.765 176.870 0.201 0.000 1.022 689 L CA -0.225 54.692 54.840 0.129 0.000 0.814 689 L CB 0.977 43.082 42.059 0.076 0.000 1.217 689 L HN 0.392 nan 8.230 nan 0.000 0.420 690 V N 6.752 126.760 119.914 0.158 0.000 2.444 690 V HA 0.471 4.591 4.120 -0.000 0.000 0.294 690 V C -0.301 175.858 176.094 0.107 0.000 1.022 690 V CA -0.513 61.882 62.300 0.160 0.000 0.850 690 V CB 1.617 33.485 31.823 0.076 0.000 0.992 690 V HN 0.594 nan 8.190 nan 0.000 0.426 691 L N 5.897 127.180 121.223 0.099 0.000 2.319 691 L HA 0.662 5.002 4.340 -0.000 0.000 0.281 691 L C -0.399 176.483 176.870 0.019 0.000 1.005 691 L CA -0.186 54.687 54.840 0.055 0.000 0.828 691 L CB 1.508 43.593 42.059 0.044 0.000 1.227 691 L HN 0.504 nan 8.230 nan 0.000 0.415 692 M N 2.802 122.377 119.600 -0.042 0.000 2.393 692 M HA 0.308 4.788 4.480 -0.000 0.000 0.316 692 M C -1.135 175.031 176.300 -0.222 0.000 1.087 692 M CA -0.485 54.720 55.300 -0.159 0.000 0.937 692 M CB 2.437 34.870 32.600 -0.279 0.000 1.668 692 M HN 0.343 nan 8.290 nan 0.000 0.438 693 D N 3.715 124.015 120.400 -0.167 0.000 2.479 693 D HA 0.189 4.829 4.640 -0.000 0.000 0.247 693 D C -0.630 175.596 176.300 -0.124 0.000 1.119 693 D CA 0.255 54.184 54.000 -0.118 0.000 0.922 693 D CB 0.346 41.113 40.800 -0.054 0.000 1.014 693 D HN 0.681 nan 8.370 nan 0.000 0.510 694 E N 1.975 122.082 120.200 -0.155 0.000 2.252 694 E HA -0.214 4.136 4.350 -0.000 0.000 0.218 694 E C 0.478 177.082 176.600 0.007 0.000 1.253 694 E CA 0.218 56.588 56.400 -0.050 0.000 0.705 694 E CB -1.466 28.200 29.700 -0.058 0.000 1.172 694 E HN 0.651 nan 8.360 nan 0.000 0.369 695 I N -2.941 117.619 120.570 -0.016 0.000 2.836 695 I HA 0.355 4.525 4.170 -0.000 0.000 0.285 695 I C 1.451 177.784 176.117 0.360 0.000 1.174 695 I CA 0.751 62.124 61.300 0.123 0.000 1.405 695 I CB 0.948 38.988 38.000 0.067 0.000 1.385 695 I HN 0.293 nan 8.210 nan 0.000 0.594 696 G N 4.566 113.618 108.800 0.419 0.000 2.278 696 G HA2 -0.199 3.760 3.960 -0.000 0.000 0.210 696 G HA3 -0.199 3.760 3.960 -0.000 0.000 0.210 696 G C 0.422 175.587 174.900 0.442 0.000 1.000 696 G CA -0.318 45.115 45.100 0.556 0.000 0.635 696 G HN 0.749 nan 8.290 nan 0.000 0.495 697 R N 0.458 121.124 120.500 0.277 0.000 2.570 697 R HA 0.418 4.758 4.340 -0.000 0.000 0.277 697 R C 1.512 177.899 176.300 0.144 0.000 1.039 697 R CA 1.334 57.488 56.100 0.089 0.000 1.065 697 R CB 0.434 30.679 30.300 -0.090 0.000 0.964 697 R HN 1.382 nan 8.270 nan 0.000 0.428 698 G N 0.763 109.576 108.800 0.021 0.000 2.195 698 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.224 698 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.224 698 G C 0.240 174.905 174.900 -0.391 0.000 0.990 698 G CA 0.228 45.292 45.100 -0.059 0.000 0.639 698 G HN 0.691 nan 8.290 nan 0.000 0.514 699 T N -0.325 113.983 114.554 -0.410 0.000 2.693 699 T HA 0.689 5.039 4.350 -0.000 0.000 0.278 699 T C 0.959 175.575 174.700 -0.140 0.000 0.994 699 T CA 1.061 62.890 62.100 -0.453 0.000 1.033 699 T CB 1.084 69.458 68.868 -0.824 0.000 1.342 699 T HN 1.403 nan 8.240 nan 0.000 0.538 700 S N 0.424 116.065 115.700 -0.098 0.000 2.580 700 S HA 0.121 4.590 4.470 -0.000 0.000 0.266 700 S C 1.393 176.028 174.600 0.057 0.000 1.354 700 S CA 0.404 58.586 58.200 -0.029 0.000 1.008 700 S CB 0.129 63.307 63.200 -0.037 0.000 0.898 700 S HN 0.747 nan 8.310 nan 0.000 0.555 701 T N 1.265 115.849 114.554 0.050 0.000 2.652 701 T HA -0.110 4.240 4.350 -0.000 0.000 0.267 701 T C 1.321 176.146 174.700 0.208 0.000 1.039 701 T CA 1.821 64.014 62.100 0.154 0.000 1.153 701 T CB -0.604 68.285 68.868 0.035 0.000 0.863 701 T HN 0.676 nan 8.240 nan 0.000 0.428 702 Y N 1.781 122.080 120.300 -0.001 0.000 2.314 702 Y HA -0.004 4.546 4.550 -0.000 0.000 0.293 702 Y C 2.452 178.320 175.900 -0.055 0.000 1.129 702 Y CA -0.178 57.891 58.100 -0.053 0.000 1.201 702 Y CB -0.791 37.641 38.460 -0.047 0.000 0.999 702 Y HN 0.270 nan 8.280 nan 0.000 0.541 703 D N -0.775 119.711 120.400 0.143 0.000 2.097 703 D HA -0.112 4.528 4.640 -0.000 0.000 0.197 703 D C 2.432 178.798 176.300 0.110 0.000 0.984 703 D CA 1.472 55.530 54.000 0.096 0.000 0.826 703 D CB -0.644 40.201 40.800 0.075 0.000 0.973 703 D HN 0.373 nan 8.370 nan 0.000 0.460 704 G N 1.414 110.299 108.800 0.143 0.000 2.421 704 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.216 704 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.216 704 G C 1.634 176.544 174.900 0.017 0.000 1.171 704 G CA 0.595 45.841 45.100 0.243 0.000 0.775 704 G HN 0.222 nan 8.290 nan 0.000 0.543 705 L N 1.203 122.196 121.223 -0.382 0.000 2.083 705 L HA 0.010 4.350 4.340 -0.000 0.000 0.209 705 L C 2.781 179.516 176.870 -0.225 0.000 1.083 705 L CA 2.378 56.744 54.840 -0.790 0.000 0.752 705 L CB -0.725 40.937 42.059 -0.662 0.000 0.899 705 L HN 0.167 nan 8.230 nan 0.000 0.433 706 S N -0.467 115.171 115.700 -0.103 0.000 2.355 706 S HA -0.092 4.378 4.470 -0.000 0.000 0.222 706 S C 1.924 176.562 174.600 0.064 0.000 1.031 706 S CA 1.507 59.678 58.200 -0.048 0.000 0.993 706 S CB -0.434 62.732 63.200 -0.057 0.000 0.859 706 S HN 0.461 nan 8.310 nan 0.000 0.453 707 L N 1.246 122.529 121.223 0.100 0.000 2.042 707 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 707 L C 2.764 179.755 176.870 0.202 0.000 1.076 707 L CA 1.338 56.269 54.840 0.151 0.000 0.749 707 L CB -0.634 41.542 42.059 0.196 0.000 0.893 707 L HN 0.327 nan 8.230 nan 0.000 0.432 708 A N -0.805 122.164 122.820 0.248 0.000 1.898 708 A HA -0.256 4.063 4.320 -0.000 0.000 0.216 708 A C 2.156 179.888 177.584 0.248 0.000 1.181 708 A CA 1.306 53.586 52.037 0.404 0.000 0.620 708 A CB -0.956 18.361 19.000 0.527 0.000 0.819 708 A HN 0.669 nan 8.150 nan 0.000 0.442 709 W N 0.846 122.126 121.300 -0.033 0.000 2.355 709 W HA -0.146 4.514 4.660 -0.000 0.000 0.309 709 W C 2.343 178.792 176.519 -0.117 0.000 1.206 709 W CA 2.024 59.298 57.345 -0.119 0.000 1.284 709 W CB -0.522 28.859 29.460 -0.132 0.000 1.145 709 W HN 0.414 nan 8.180 nan 0.000 0.502 710 A N 0.097 123.071 122.820 0.256 0.000 1.902 710 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 710 A C 2.183 179.783 177.584 0.027 0.000 1.181 710 A CA 2.003 54.120 52.037 0.134 0.000 0.623 710 A CB -1.449 17.611 19.000 0.101 0.000 0.818 710 A HN 0.343 nan 8.150 nan 0.000 0.443 711 C N -1.131 118.198 119.300 0.049 0.000 2.429 711 C HA 0.071 4.531 4.460 -0.000 0.000 0.277 711 C C 3.333 178.271 174.990 -0.087 0.000 1.262 711 C CA 0.731 59.776 59.018 0.045 0.000 1.733 711 C CB -1.353 26.515 27.740 0.214 0.000 2.010 711 C HN 0.708 nan 8.230 nan 0.000 0.483 712 A N 0.724 123.343 122.820 -0.336 0.000 1.865 712 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 712 A C 2.030 179.367 177.584 -0.411 0.000 1.191 712 A CA 1.874 53.502 52.037 -0.682 0.000 0.623 712 A CB -0.671 17.661 19.000 -1.114 0.000 0.826 712 A HN 0.714 nan 8.150 nan 0.000 0.444 713 E N -0.489 119.506 120.200 -0.342 0.000 2.085 713 E HA -0.218 4.132 4.350 -0.000 0.000 0.194 713 E C 2.046 178.560 176.600 -0.143 0.000 0.994 713 E CA 1.115 57.377 56.400 -0.231 0.000 0.801 713 E CB -0.309 29.312 29.700 -0.133 0.000 0.743 713 E HN 0.707 nan 8.360 nan 0.000 0.453 714 N N 1.042 119.677 118.700 -0.108 0.000 2.106 714 N HA -0.148 4.592 4.740 -0.000 0.000 0.188 714 N C 2.047 177.504 175.510 -0.088 0.000 1.029 714 N CA 0.802 53.804 53.050 -0.080 0.000 0.848 714 N CB -0.009 38.440 38.487 -0.064 0.000 1.007 714 N HN 0.124 nan 8.380 nan 0.000 0.423 715 L N 0.760 121.924 121.223 -0.099 0.000 2.083 715 L HA -0.118 4.222 4.340 -0.000 0.000 0.209 715 L C 2.599 179.413 176.870 -0.093 0.000 1.083 715 L CA 1.303 56.092 54.840 -0.085 0.000 0.752 715 L CB -0.331 41.695 42.059 -0.054 0.000 0.899 715 L HN 0.195 nan 8.230 nan 0.000 0.433 716 A N -0.487 122.256 122.820 -0.128 0.000 1.898 716 A HA -0.114 4.206 4.320 -0.000 0.000 0.214 716 A C 1.926 179.451 177.584 -0.098 0.000 1.183 716 A CA 1.625 53.588 52.037 -0.122 0.000 0.622 716 A CB -0.235 18.664 19.000 -0.170 0.000 0.824 716 A HN 0.395 nan 8.150 nan 0.000 0.444 717 N N -1.870 116.774 118.700 -0.094 0.000 2.332 717 N HA 0.092 4.832 4.740 -0.000 0.000 0.190 717 N C 1.365 176.841 175.510 -0.058 0.000 1.117 717 N CA 0.994 54.001 53.050 -0.072 0.000 0.883 717 N CB 0.367 38.812 38.487 -0.070 0.000 1.089 717 N HN 0.621 nan 8.380 nan 0.000 0.480 718 K N 0.393 120.758 120.400 -0.058 0.000 2.267 718 K HA 0.307 4.626 4.320 -0.000 0.000 0.213 718 K C 1.627 178.199 176.600 -0.046 0.000 1.060 718 K CA 0.177 56.436 56.287 -0.046 0.000 0.935 718 K CB 0.130 32.605 32.500 -0.042 0.000 1.096 718 K HN -0.143 nan 8.250 nan 0.000 0.468 719 I N 1.626 122.163 120.570 -0.054 0.000 2.286 719 I HA -0.156 4.013 4.170 -0.000 0.000 0.245 719 I C 0.330 176.413 176.117 -0.057 0.000 1.104 719 I CA 1.001 62.270 61.300 -0.050 0.000 1.397 719 I CB -0.078 37.885 38.000 -0.061 0.000 1.072 719 I HN 0.253 nan 8.210 nan 0.000 0.417 720 K N 0.445 120.806 120.400 -0.065 0.000 3.069 720 K HA -0.183 4.137 4.320 -0.000 0.000 0.267 720 K C 0.304 176.862 176.600 -0.070 0.000 1.082 720 K CA 0.242 56.486 56.287 -0.072 0.000 0.782 720 K CB -1.900 30.550 32.500 -0.084 0.000 1.230 720 K HN 0.441 nan 8.250 nan 0.000 0.488 721 A N 0.772 123.564 122.820 -0.047 0.000 2.429 721 A HA 0.294 4.613 4.320 -0.000 0.000 0.242 721 A C 0.669 178.246 177.584 -0.011 0.000 1.088 721 A CA -0.112 51.914 52.037 -0.018 0.000 0.784 721 A CB 0.277 19.278 19.000 0.003 0.000 1.038 721 A HN 0.333 nan 8.150 nan 0.000 0.501 722 L N 1.441 122.671 121.223 0.012 0.000 2.313 722 L HA 0.342 4.682 4.340 -0.000 0.000 0.282 722 L C -0.126 176.771 176.870 0.045 0.000 1.092 722 L CA 0.117 54.970 54.840 0.023 0.000 0.831 722 L CB 0.505 42.582 42.059 0.030 0.000 1.159 722 L HN 0.677 nan 8.230 nan 0.000 0.442 723 T N 4.611 119.193 114.554 0.048 0.000 2.879 723 T HA 0.503 4.852 4.350 -0.000 0.000 0.290 723 T C -0.276 174.487 174.700 0.105 0.000 0.993 723 T CA -0.507 61.642 62.100 0.081 0.000 0.975 723 T CB 1.652 70.573 68.868 0.089 0.000 0.981 723 T HN 0.293 nan 8.240 nan 0.000 0.439 724 L N 3.463 124.754 121.223 0.114 0.000 2.265 724 L HA 0.552 4.892 4.340 -0.000 0.000 0.289 724 L C -0.864 176.117 176.870 0.185 0.000 1.033 724 L CA -0.752 54.173 54.840 0.141 0.000 0.814 724 L CB 0.802 42.917 42.059 0.093 0.000 1.203 724 L HN 0.627 nan 8.230 nan 0.000 0.423 725 F N 3.556 123.538 119.950 0.053 0.000 2.359 725 F HA 0.566 5.093 4.527 -0.000 0.000 0.370 725 F C 0.539 176.383 175.800 0.073 0.000 1.077 725 F CA -0.658 57.371 58.000 0.049 0.000 1.136 725 F CB 0.864 39.874 39.000 0.017 0.000 1.387 725 F HN 0.505 nan 8.300 nan 0.000 0.468 726 A N 3.923 126.729 122.820 -0.023 0.000 2.409 726 A HA 0.550 4.870 4.320 -0.000 0.000 0.262 726 A C 0.090 177.673 177.584 -0.001 0.000 1.113 726 A CA 0.143 52.199 52.037 0.032 0.000 0.790 726 A CB 0.501 19.509 19.000 0.012 0.000 1.046 726 A HN 0.636 nan 8.150 nan 0.000 0.496 727 T N 0.105 114.741 114.554 0.136 0.000 2.900 727 T HA 0.473 4.823 4.350 -0.000 0.000 0.303 727 T C 0.762 175.561 174.700 0.165 0.000 1.142 727 T CA -0.287 61.921 62.100 0.179 0.000 1.007 727 T CB 0.783 69.860 68.868 0.348 0.000 1.156 727 T HN 0.830 nan 8.240 nan 0.000 0.490 728 H N 1.833 120.838 119.070 -0.109 0.000 2.544 728 H HA 0.151 4.707 4.556 -0.000 0.000 0.269 728 H C -0.348 174.954 175.328 -0.044 0.000 0.970 728 H CA 0.053 56.034 56.048 -0.111 0.000 1.219 728 H CB -0.585 29.055 29.762 -0.203 0.000 1.421 728 H HN 0.489 nan 8.280 nan 0.000 0.555 729 Y N 1.461 121.627 120.300 -0.223 0.000 2.697 729 Y HA 0.013 4.563 4.550 -0.000 0.000 0.349 729 Y C 1.242 177.183 175.900 0.069 0.000 1.120 729 Y CA -0.536 57.491 58.100 -0.121 0.000 1.468 729 Y CB -0.248 38.164 38.460 -0.079 0.000 1.182 729 Y HN 0.040 nan 8.280 nan 0.000 0.525 730 F N 2.221 122.254 119.950 0.138 0.000 2.202 730 F HA -0.197 4.329 4.527 -0.000 0.000 0.301 730 F C 1.606 177.487 175.800 0.134 0.000 1.082 730 F CA 1.578 59.644 58.000 0.110 0.000 1.313 730 F CB 0.061 39.105 39.000 0.073 0.000 1.024 730 F HN 0.484 nan 8.300 nan 0.000 0.495 731 E N 0.153 120.433 120.200 0.133 0.000 2.209 731 E HA -0.193 4.157 4.350 -0.000 0.000 0.196 731 E C 1.922 178.577 176.600 0.091 0.000 0.993 731 E CA 1.032 57.478 56.400 0.077 0.000 0.819 731 E CB -0.455 29.335 29.700 0.150 0.000 0.745 731 E HN 0.322 nan 8.360 nan 0.000 0.477 732 L N 0.497 121.770 121.223 0.082 0.000 2.465 732 L HA -0.069 4.271 4.340 -0.000 0.000 0.224 732 L C 2.085 178.839 176.870 -0.194 0.000 1.145 732 L CA 1.562 56.385 54.840 -0.030 0.000 0.834 732 L CB -0.794 41.300 42.059 0.058 0.000 0.944 732 L HN 0.258 nan 8.230 nan 0.000 0.451 733 T N -4.965 109.424 114.554 -0.274 0.000 3.113 733 T HA -0.122 4.228 4.350 -0.000 0.000 0.263 733 T C 1.630 176.167 174.700 -0.272 0.000 1.143 733 T CA 0.445 62.358 62.100 -0.312 0.000 1.090 733 T CB -0.139 68.451 68.868 -0.464 0.000 0.922 733 T HN 0.192 nan 8.240 nan 0.000 0.521 734 Q N 0.193 119.861 119.800 -0.220 0.000 2.378 734 Q HA 0.236 4.575 4.340 -0.000 0.000 0.205 734 Q C 2.044 177.964 176.000 -0.134 0.000 0.954 734 Q CA 0.186 55.925 55.803 -0.108 0.000 0.901 734 Q CB -0.532 28.224 28.738 0.030 0.000 0.981 734 Q HN 0.390 nan 8.270 nan 0.000 0.483 735 L N 1.295 122.336 121.223 -0.303 0.000 2.021 735 L HA -0.176 4.164 4.340 -0.000 0.000 0.215 735 L C -0.759 175.967 176.870 -0.240 0.000 1.074 735 L CA 2.163 56.752 54.840 -0.417 0.000 0.760 735 L CB -1.837 39.865 42.059 -0.595 0.000 0.889 735 L HN 0.129 nan 8.230 nan 0.000 0.433 736 P HA -0.177 nan 4.420 nan 0.000 0.217 736 P C 1.269 178.521 177.300 -0.080 0.000 1.148 736 P CA 1.326 64.358 63.100 -0.113 0.000 0.828 736 P CB -0.101 31.549 31.700 -0.083 0.000 0.783 737 E N -0.132 120.027 120.200 -0.068 0.000 2.208 737 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 737 E C 1.469 178.051 176.600 -0.029 0.000 0.988 737 E CA 0.953 57.331 56.400 -0.036 0.000 0.828 737 E CB -0.350 29.339 29.700 -0.017 0.000 0.763 737 E HN 0.439 nan 8.360 nan 0.000 0.478 738 K N 0.178 120.554 120.400 -0.041 0.000 2.367 738 K HA 0.201 4.521 4.320 -0.000 0.000 0.194 738 K C 0.963 177.536 176.600 -0.045 0.000 1.027 738 K CA 0.197 56.474 56.287 -0.017 0.000 1.075 738 K CB 0.443 32.968 32.500 0.041 0.000 0.845 738 K HN 0.173 nan 8.250 nan 0.000 0.529 739 M N -1.072 118.480 119.600 -0.079 0.000 2.471 739 M HA 0.365 4.844 4.480 -0.000 0.000 0.284 739 M C -0.997 175.254 176.300 -0.081 0.000 1.203 739 M CA -0.886 54.364 55.300 -0.083 0.000 0.915 739 M CB 2.274 34.806 32.600 -0.114 0.000 1.734 739 M HN -0.313 nan 8.290 nan 0.000 0.485 740 E N 1.000 121.161 120.200 -0.064 0.000 2.373 740 E HA 0.421 4.771 4.350 -0.000 0.000 0.263 740 E C 0.939 177.501 176.600 -0.063 0.000 1.073 740 E CA 1.551 57.919 56.400 -0.054 0.000 0.894 740 E CB 1.227 30.903 29.700 -0.041 0.000 1.008 740 E HN 1.010 nan 8.360 nan 0.000 0.420 741 G N 2.187 110.956 108.800 -0.052 0.000 2.159 741 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.256 741 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.256 741 G C -0.170 174.695 174.900 -0.058 0.000 0.977 741 G CA 0.356 45.426 45.100 -0.050 0.000 0.652 741 G HN 0.405 nan 8.290 nan 0.000 0.531 742 V N 0.111 119.982 119.914 -0.072 0.000 2.540 742 V HA 0.895 5.015 4.120 -0.000 0.000 0.302 742 V C 0.358 176.415 176.094 -0.063 0.000 1.035 742 V CA -0.239 62.010 62.300 -0.085 0.000 0.873 742 V CB 1.565 33.301 31.823 -0.145 0.000 0.992 742 V HN 1.297 nan 8.190 nan 0.000 0.428 743 A N 3.857 126.655 122.820 -0.037 0.000 2.423 743 A HA 0.802 5.122 4.320 -0.000 0.000 0.304 743 A C -0.678 176.907 177.584 0.001 0.000 1.104 743 A CA -0.831 51.198 52.037 -0.015 0.000 0.757 743 A CB 1.422 20.427 19.000 0.009 0.000 1.313 743 A HN 0.685 nan 8.150 nan 0.000 0.423 744 N N 0.211 118.919 118.700 0.013 0.000 2.455 744 N HA 0.537 5.277 4.740 -0.000 0.000 0.280 744 N C -0.305 175.260 175.510 0.091 0.000 1.055 744 N CA 0.026 53.102 53.050 0.044 0.000 0.961 744 N CB 1.731 40.234 38.487 0.028 0.000 1.121 744 N HN 0.785 nan 8.380 nan 0.000 0.476 745 V N -0.500 119.487 119.914 0.121 0.000 3.156 745 V HA 0.733 4.853 4.120 -0.000 0.000 0.311 745 V C -0.700 175.525 176.094 0.218 0.000 1.208 745 V CA -0.748 61.641 62.300 0.147 0.000 1.063 745 V CB 2.561 34.417 31.823 0.056 0.000 1.098 745 V HN 0.893 nan 8.190 nan 0.000 0.452 746 H N -0.092 118.984 119.070 0.010 0.000 3.003 746 H HA 0.634 5.190 4.556 -0.000 0.000 0.327 746 H C -2.210 173.110 175.328 -0.015 0.000 1.353 746 H CA -1.045 55.018 56.048 0.025 0.000 1.142 746 H CB 1.460 31.266 29.762 0.073 0.000 1.864 746 H HN 0.779 nan 8.280 nan 0.000 0.529 747 L N 1.816 123.044 121.223 0.008 0.000 2.331 747 L HA 0.359 4.699 4.340 -0.000 0.000 0.275 747 L C -0.156 176.778 176.870 0.108 0.000 1.022 747 L CA -0.702 54.102 54.840 -0.061 0.000 0.812 747 L CB 1.600 43.624 42.059 -0.059 0.000 1.257 747 L HN 0.734 nan 8.230 nan 0.000 0.435 748 D N 1.096 121.526 120.400 0.050 0.000 2.553 748 D HA 0.790 5.430 4.640 -0.000 0.000 0.249 748 D C -1.017 175.252 176.300 -0.051 0.000 1.062 748 D CA -0.702 53.373 54.000 0.125 0.000 1.085 748 D CB 1.857 42.774 40.800 0.195 0.000 1.350 748 D HN 0.569 nan 8.370 nan 0.000 0.575 749 A N -0.601 122.117 122.820 -0.171 0.000 2.469 749 A HA 0.639 4.959 4.320 -0.000 0.000 0.299 749 A C -1.731 175.744 177.584 -0.182 0.000 1.098 749 A CA -0.788 51.008 52.037 -0.401 0.000 0.737 749 A CB 1.383 19.705 19.000 -1.131 0.000 1.312 749 A HN 0.472 nan 8.150 nan 0.000 0.414 750 L N 0.975 122.094 121.223 -0.174 0.000 2.305 750 L HA 0.510 4.850 4.340 -0.000 0.000 0.284 750 L C -0.284 176.578 176.870 -0.014 0.000 1.013 750 L CA -0.049 54.765 54.840 -0.044 0.000 0.819 750 L CB 1.156 43.199 42.059 -0.027 0.000 1.227 750 L HN 0.775 nan 8.230 nan 0.000 0.417 751 E N 3.946 124.160 120.200 0.022 0.000 2.227 751 E HA 0.519 4.869 4.350 -0.000 0.000 0.282 751 E C -1.233 175.426 176.600 0.099 0.000 1.015 751 E CA -0.219 56.186 56.400 0.009 0.000 0.823 751 E CB 0.910 30.619 29.700 0.015 0.000 1.081 751 E HN 0.767 nan 8.360 nan 0.000 0.396 752 H N 0.380 119.418 119.070 -0.054 0.000 3.003 752 H HA 0.502 5.058 4.556 -0.000 0.000 0.327 752 H C 0.636 175.945 175.328 -0.031 0.000 1.353 752 H CA -0.495 55.531 56.048 -0.037 0.000 1.142 752 H CB 0.402 30.140 29.762 -0.039 0.000 1.864 752 H HN 0.564 nan 8.280 nan 0.000 0.529 753 G N 0.768 109.577 108.800 0.016 0.000 2.698 753 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.337 753 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.337 753 G C -0.013 174.825 174.900 -0.102 0.000 1.286 753 G CA 1.048 46.123 45.100 -0.041 0.000 1.000 753 G HN 0.920 nan 8.290 nan 0.000 0.547 754 D N 0.911 121.231 120.400 -0.134 0.000 2.891 754 D HA 0.440 5.080 4.640 -0.000 0.000 0.312 754 D C 0.466 176.677 176.300 -0.149 0.000 1.354 754 D CA 0.775 54.709 54.000 -0.110 0.000 0.838 754 D CB 0.904 41.666 40.800 -0.062 0.000 1.117 754 D HN 0.447 nan 8.370 nan 0.000 0.473 755 T N -0.104 114.292 114.554 -0.264 0.000 2.645 755 T HA 0.600 4.950 4.350 -0.000 0.000 0.300 755 T C -1.819 172.686 174.700 -0.325 0.000 1.210 755 T CA -0.567 61.374 62.100 -0.265 0.000 1.034 755 T CB 1.924 70.638 68.868 -0.255 0.000 1.537 755 T HN 0.085 nan 8.240 nan 0.000 0.492 756 I N 1.320 121.720 120.570 -0.282 0.000 2.571 756 I HA 0.734 4.904 4.170 -0.000 0.000 0.289 756 I C -1.030 174.865 176.117 -0.370 0.000 1.115 756 I CA -0.909 60.176 61.300 -0.359 0.000 1.045 756 I CB 1.639 39.372 38.000 -0.446 0.000 1.238 756 I HN 0.762 nan 8.210 nan 0.000 0.424 757 A N 7.339 130.007 122.820 -0.254 0.000 2.341 757 A HA 0.536 4.856 4.320 -0.000 0.000 0.326 757 A C -1.000 176.395 177.584 -0.314 0.000 1.402 757 A CA -0.298 51.656 52.037 -0.138 0.000 0.957 757 A CB -0.284 18.744 19.000 0.047 0.000 1.151 757 A HN 0.573 nan 8.150 nan 0.000 0.533 758 F N 3.942 123.843 119.950 -0.081 0.000 2.487 758 F HA 0.167 4.694 4.527 -0.000 0.000 0.364 758 F C 0.906 176.615 175.800 -0.152 0.000 1.126 758 F CA 0.037 57.922 58.000 -0.191 0.000 1.135 758 F CB 0.304 39.162 39.000 -0.237 0.000 1.127 758 F HN 0.428 nan 8.300 nan 0.000 0.559 759 M N 3.486 123.083 119.600 -0.005 0.000 2.255 759 M HA 0.157 4.637 4.480 -0.000 0.000 0.336 759 M C 0.221 176.504 176.300 -0.029 0.000 1.135 759 M CA -0.120 55.227 55.300 0.079 0.000 1.145 759 M CB 0.542 33.144 32.600 0.003 0.000 1.473 759 M HN 0.513 nan 8.290 nan 0.000 0.462 760 H N -1.063 117.943 119.070 -0.105 0.000 2.486 760 H HA 0.271 4.827 4.556 -0.000 0.000 0.284 760 H C 0.083 175.306 175.328 -0.175 0.000 1.103 760 H CA -0.228 55.735 56.048 -0.141 0.000 1.089 760 H CB 0.329 29.967 29.762 -0.206 0.000 1.603 760 H HN 0.530 nan 8.280 nan 0.000 0.557 761 S N 1.353 117.018 115.700 -0.059 0.000 2.439 761 S HA 0.289 4.758 4.470 -0.000 0.000 0.282 761 S C 0.021 174.496 174.600 -0.208 0.000 1.170 761 S CA -0.609 57.521 58.200 -0.117 0.000 1.054 761 S CB 0.007 63.154 63.200 -0.088 0.000 0.956 761 S HN 0.098 nan 8.310 nan 0.000 0.490 762 V N 7.064 126.809 119.914 -0.282 0.000 2.488 762 V HA 0.335 4.455 4.120 -0.000 0.000 0.277 762 V C 0.187 176.111 176.094 -0.284 0.000 1.046 762 V CA -0.192 61.879 62.300 -0.383 0.000 0.986 762 V CB 1.079 32.488 31.823 -0.689 0.000 0.989 762 V HN 0.776 nan 8.190 nan 0.000 0.475 763 Q N 2.430 122.018 119.800 -0.353 0.000 2.377 763 Q HA 0.407 4.747 4.340 -0.000 0.000 0.271 763 Q C -1.130 174.780 176.000 -0.150 0.000 1.077 763 Q CA -0.956 54.669 55.803 -0.295 0.000 0.820 763 Q CB 2.551 30.996 28.738 -0.489 0.000 1.347 763 Q HN 0.624 nan 8.270 nan 0.000 0.444 764 D N 0.821 121.221 120.400 -0.000 0.000 2.423 764 D HA 0.344 4.984 4.640 -0.000 0.000 0.238 764 D C 0.778 177.221 176.300 0.238 0.000 1.142 764 D CA 1.354 55.411 54.000 0.096 0.000 0.884 764 D CB 0.729 41.569 40.800 0.067 0.000 1.199 764 D HN 0.762 nan 8.370 nan 0.000 0.438 765 G N -0.087 108.836 108.800 0.205 0.000 2.655 765 G HA2 0.246 4.206 3.960 -0.000 0.000 0.680 765 G HA3 0.246 4.206 3.960 -0.000 0.000 0.680 765 G C -0.445 174.545 174.900 0.150 0.000 1.302 765 G CA -0.353 44.840 45.100 0.154 0.000 0.872 765 G HN 0.700 nan 8.290 nan 0.000 0.540 766 A N -0.143 122.671 122.820 -0.009 0.000 2.322 766 A HA 0.939 5.259 4.320 -0.000 0.000 0.269 766 A C 1.068 178.454 177.584 -0.331 0.000 1.094 766 A CA 1.082 53.101 52.037 -0.030 0.000 0.807 766 A CB 0.549 19.609 19.000 0.101 0.000 1.047 766 A HN 2.598 nan 8.150 nan 0.000 0.487 767 A N 0.735 123.463 122.820 -0.153 0.000 2.425 767 A HA 0.467 4.787 4.320 -0.000 0.000 0.249 767 A C 1.143 178.689 177.584 -0.063 0.000 1.084 767 A CA 0.348 52.276 52.037 -0.181 0.000 0.781 767 A CB -0.030 19.040 19.000 0.117 0.000 1.019 767 A HN 1.841 nan 8.150 nan 0.000 0.490 768 S N 0.514 116.149 115.700 -0.109 0.000 2.559 768 S HA 0.321 4.791 4.470 -0.000 0.000 0.226 768 S C 0.225 174.733 174.600 -0.154 0.000 1.000 768 S CA -0.206 57.917 58.200 -0.129 0.000 0.948 768 S CB -0.065 63.079 63.200 -0.094 0.000 0.870 768 S HN 0.644 nan 8.310 nan 0.000 0.497 769 K N 1.419 121.744 120.400 -0.126 0.000 2.502 769 K HA 0.569 4.889 4.320 -0.000 0.000 0.257 769 K C -1.019 175.382 176.600 -0.332 0.000 0.938 769 K CA -0.486 55.636 56.287 -0.274 0.000 0.819 769 K CB 2.314 34.594 32.500 -0.367 0.000 1.333 769 K HN 0.280 nan 8.250 nan 0.000 0.434 770 S N 0.337 115.783 115.700 -0.424 0.000 2.621 770 S HA 0.469 4.939 4.470 -0.000 0.000 0.302 770 S C -0.344 173.916 174.600 -0.567 0.000 1.093 770 S CA -0.462 57.557 58.200 -0.301 0.000 1.017 770 S CB 0.629 63.764 63.200 -0.109 0.000 1.077 770 S HN 0.689 nan 8.310 nan 0.000 0.517 771 Y N -0.343 120.012 120.300 0.091 0.000 2.610 771 Y HA 0.363 4.913 4.550 -0.000 0.000 0.254 771 Y C 2.140 178.108 175.900 0.112 0.000 1.110 771 Y CA -0.342 57.834 58.100 0.126 0.000 1.238 771 Y CB 0.016 38.635 38.460 0.264 0.000 1.322 771 Y HN 0.823 nan 8.280 nan 0.000 0.547 772 G N 0.882 109.782 108.800 0.167 0.000 2.440 772 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.218 772 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.218 772 G C 1.499 176.449 174.900 0.085 0.000 1.154 772 G CA 1.098 46.264 45.100 0.110 0.000 0.767 772 G HN 0.339 nan 8.290 nan 0.000 0.552 773 L N 0.376 121.633 121.223 0.057 0.000 2.179 773 L HA 0.077 4.417 4.340 -0.000 0.000 0.208 773 L C 3.339 180.241 176.870 0.053 0.000 1.096 773 L CA 0.737 55.599 54.840 0.038 0.000 0.779 773 L CB -0.432 41.633 42.059 0.009 0.000 0.922 773 L HN 0.310 nan 8.230 nan 0.000 0.443 774 A N 0.114 122.985 122.820 0.084 0.000 1.898 774 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 774 A C 2.320 179.965 177.584 0.103 0.000 1.181 774 A CA 1.537 53.632 52.037 0.096 0.000 0.620 774 A CB -0.681 18.410 19.000 0.152 0.000 0.819 774 A HN 0.184 nan 8.150 nan 0.000 0.442 775 V N -0.143 119.860 119.914 0.149 0.000 2.427 775 V HA -0.210 3.910 4.120 -0.000 0.000 0.248 775 V C 3.012 179.152 176.094 0.076 0.000 1.051 775 V CA 1.741 64.121 62.300 0.134 0.000 1.048 775 V CB -1.192 30.730 31.823 0.166 0.000 0.666 775 V HN 0.604 nan 8.190 nan 0.000 0.456 776 A N 0.151 123.008 122.820 0.062 0.000 1.902 776 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 776 A C 2.436 180.037 177.584 0.028 0.000 1.181 776 A CA 2.052 54.111 52.037 0.038 0.000 0.623 776 A CB -0.720 18.298 19.000 0.030 0.000 0.818 776 A HN 0.555 nan 8.150 nan 0.000 0.443 777 A N -0.166 122.671 122.820 0.028 0.000 1.877 777 A HA -0.041 4.279 4.320 -0.000 0.000 0.216 777 A C 2.120 179.713 177.584 0.015 0.000 1.186 777 A CA 1.481 53.529 52.037 0.017 0.000 0.620 777 A CB -0.639 18.369 19.000 0.014 0.000 0.822 777 A HN 0.470 nan 8.150 nan 0.000 0.443 778 L N -0.922 120.314 121.223 0.020 0.000 2.191 778 L HA -0.147 4.193 4.340 -0.000 0.000 0.212 778 L C 2.726 179.605 176.870 0.015 0.000 1.103 778 L CA 0.857 55.705 54.840 0.013 0.000 0.769 778 L CB -0.358 41.712 42.059 0.017 0.000 0.908 778 L HN 0.448 nan 8.230 nan 0.000 0.438 779 A N -0.702 122.131 122.820 0.022 0.000 2.218 779 A HA 0.326 4.645 4.320 -0.000 0.000 0.209 779 A C 1.692 179.283 177.584 0.012 0.000 1.168 779 A CA 0.760 52.808 52.037 0.018 0.000 0.804 779 A CB -0.151 18.862 19.000 0.022 0.000 0.834 779 A HN 0.493 nan 8.150 nan 0.000 0.482 780 G N -1.540 107.267 108.800 0.010 0.000 2.148 780 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.203 780 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.203 780 G C 0.129 175.033 174.900 0.006 0.000 0.993 780 G CA -0.072 45.032 45.100 0.007 0.000 0.661 780 G HN 0.695 nan 8.290 nan 0.000 0.518 781 V N 2.157 122.076 119.914 0.008 0.000 2.599 781 V HA 0.266 4.386 4.120 -0.000 0.000 0.300 781 V C -1.071 175.026 176.094 0.005 0.000 1.034 781 V CA -0.557 61.747 62.300 0.007 0.000 1.115 781 V CB 0.780 32.609 31.823 0.009 0.000 0.934 781 V HN 0.208 nan 8.190 nan 0.000 0.485 782 P HA 0.066 nan 4.420 nan 0.000 0.264 782 P C 0.706 178.006 177.300 0.001 0.000 1.183 782 P CA 0.021 63.122 63.100 0.002 0.000 0.763 782 P CB 0.440 32.141 31.700 0.001 0.000 0.807 783 K N 2.527 122.927 120.400 0.001 0.000 2.127 783 K HA -0.240 4.080 4.320 -0.000 0.000 0.208 783 K C 1.833 178.432 176.600 -0.001 0.000 1.047 783 K CA 1.694 57.981 56.287 -0.000 0.000 0.927 783 K CB -0.049 32.450 32.500 -0.001 0.000 0.716 783 K HN 0.637 nan 8.250 nan 0.000 0.450 784 E N 0.947 121.146 120.200 -0.001 0.000 2.106 784 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 784 E C 1.955 178.553 176.600 -0.002 0.000 0.984 784 E CA 1.258 57.657 56.400 -0.002 0.000 0.806 784 E CB -0.388 29.310 29.700 -0.002 0.000 0.750 784 E HN 0.091 nan 8.360 nan 0.000 0.458 785 V N 2.017 121.931 119.914 -0.001 0.000 2.307 785 V HA -0.231 3.889 4.120 -0.000 0.000 0.245 785 V C 2.661 178.755 176.094 -0.000 0.000 1.045 785 V CA 1.411 63.711 62.300 -0.001 0.000 1.024 785 V CB -0.455 31.368 31.823 0.001 0.000 0.651 785 V HN 0.225 nan 8.190 nan 0.000 0.449 786 I N 0.689 121.259 120.570 0.001 0.000 2.194 786 I HA -0.286 3.884 4.170 -0.000 0.000 0.246 786 I C 2.465 178.580 176.117 -0.003 0.000 1.093 786 I CA 2.176 63.476 61.300 0.000 0.000 1.355 786 I CB -1.255 36.746 38.000 0.002 0.000 1.046 786 I HN 0.461 nan 8.210 nan 0.000 0.413 787 K N 0.718 121.115 120.400 -0.004 0.000 2.057 787 K HA -0.155 4.165 4.320 -0.000 0.000 0.206 787 K C 2.285 178.881 176.600 -0.007 0.000 1.050 787 K CA 1.067 57.351 56.287 -0.006 0.000 0.935 787 K CB 0.006 32.503 32.500 -0.006 0.000 0.715 787 K HN 0.053 nan 8.250 nan 0.000 0.439 788 R N 0.459 120.956 120.500 -0.005 0.000 2.092 788 R HA -0.026 4.314 4.340 -0.000 0.000 0.231 788 R C 2.357 178.653 176.300 -0.006 0.000 1.119 788 R CA 1.352 57.448 56.100 -0.006 0.000 0.970 788 R CB -0.869 29.428 30.300 -0.005 0.000 0.864 788 R HN 0.402 nan 8.270 nan 0.000 0.440 789 A N 1.014 123.831 122.820 -0.005 0.000 1.933 789 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 789 A C 2.253 179.832 177.584 -0.008 0.000 1.175 789 A CA 1.578 53.612 52.037 -0.005 0.000 0.628 789 A CB -0.345 18.654 19.000 -0.002 0.000 0.814 789 A HN 0.134 nan 8.150 nan 0.000 0.444 790 R N 0.001 120.495 120.500 -0.011 0.000 2.115 790 R HA -0.136 4.204 4.340 -0.000 0.000 0.230 790 R C 2.282 178.571 176.300 -0.018 0.000 1.111 790 R CA 1.992 58.082 56.100 -0.017 0.000 0.976 790 R CB -0.535 29.753 30.300 -0.019 0.000 0.870 790 R HN 0.731 nan 8.270 nan 0.000 0.445 791 Q N -0.158 119.634 119.800 -0.013 0.000 2.083 791 Q HA -0.182 4.158 4.340 -0.000 0.000 0.198 791 Q C 1.658 177.652 176.000 -0.011 0.000 0.969 791 Q CA 1.669 57.464 55.803 -0.012 0.000 0.838 791 Q CB -0.071 28.661 28.738 -0.010 0.000 0.900 791 Q HN 0.084 nan 8.270 nan 0.000 0.436 792 K N 0.350 120.744 120.400 -0.009 0.000 2.147 792 K HA -0.148 4.172 4.320 -0.000 0.000 0.205 792 K C 1.898 178.494 176.600 -0.007 0.000 1.049 792 K CA 0.941 57.223 56.287 -0.007 0.000 0.936 792 K CB -0.420 32.076 32.500 -0.007 0.000 0.722 792 K HN 0.288 nan 8.250 nan 0.000 0.446 793 L N 0.869 122.086 121.223 -0.010 0.000 2.027 793 L HA -0.037 4.303 4.340 -0.000 0.000 0.206 793 L C 2.315 179.176 176.870 -0.016 0.000 1.074 793 L CA 1.785 56.618 54.840 -0.011 0.000 0.745 793 L CB -0.618 41.429 42.059 -0.019 0.000 0.898 793 L HN 0.203 nan 8.230 nan 0.000 0.433 794 R N -0.463 120.024 120.500 -0.021 0.000 2.081 794 R HA -0.217 4.123 4.340 -0.000 0.000 0.235 794 R C 2.311 178.604 176.300 -0.013 0.000 1.131 794 R CA 1.727 57.812 56.100 -0.024 0.000 0.960 794 R CB -0.364 29.920 30.300 -0.026 0.000 0.856 794 R HN 0.609 nan 8.270 nan 0.000 0.436 795 E N 0.463 120.659 120.200 -0.008 0.000 2.049 795 E HA -0.243 4.107 4.350 -0.000 0.000 0.198 795 E C 2.045 178.649 176.600 0.006 0.000 1.007 795 E CA 1.806 58.205 56.400 -0.002 0.000 0.809 795 E CB -0.137 29.561 29.700 -0.003 0.000 0.749 795 E HN 0.409 nan 8.360 nan 0.000 0.450 796 L N 0.418 121.645 121.223 0.008 0.000 2.046 796 L HA -0.175 4.164 4.340 -0.000 0.000 0.208 796 L C 2.489 179.380 176.870 0.034 0.000 1.077 796 L CA 1.438 56.291 54.840 0.021 0.000 0.747 796 L CB -0.323 41.747 42.059 0.019 0.000 0.896 796 L HN 0.183 nan 8.230 nan 0.000 0.432 797 E N -0.366 119.845 120.200 0.019 0.000 2.208 797 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 797 E C 2.182 178.792 176.600 0.018 0.000 0.988 797 E CA 1.212 57.623 56.400 0.017 0.000 0.828 797 E CB 0.007 29.691 29.700 -0.027 0.000 0.763 797 E HN 0.497 nan 8.360 nan 0.000 0.478 798 S N 0.436 116.141 115.700 0.009 0.000 2.555 798 S HA -0.012 4.458 4.470 -0.000 0.000 0.230 798 S C 1.752 176.365 174.600 0.021 0.000 0.978 798 S CA 0.343 58.548 58.200 0.008 0.000 0.934 798 S CB -0.293 62.907 63.200 0.000 0.000 0.766 798 S HN 0.174 nan 8.310 nan 0.000 0.533 799 I N 1.177 121.767 120.570 0.034 0.000 3.419 799 I HA 0.107 4.277 4.170 -0.000 0.000 0.286 799 I C 1.477 177.622 176.117 0.046 0.000 1.268 799 I CA 0.071 61.395 61.300 0.039 0.000 1.414 799 I CB 0.031 38.061 38.000 0.049 0.000 1.074 799 I HN 0.301 nan 8.210 nan 0.000 0.457 800 S N 0.000 115.738 115.700 0.063 0.000 2.498 800 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 800 S CA 0.000 58.246 58.200 0.077 0.000 1.107 800 S CB 0.000 63.274 63.200 0.123 0.000 0.593 800 S HN 0.000 nan 8.310 nan 0.000 0.517