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 2qyu_1_A DATA FIRST_RESID 163 DATA SEQUENCE ATSSPSSPAD WAKKLTDAVL RQKAGETLTA ADRDFSNADF RNITFSKILP DATA SEQUENCE PSFMERDGDI IKGFNFSNSK FTYSDISHLH FDECRFTYST LSDVVCSNTK DATA SEQUENCE FSNSDMNEVF LQYSITTQQQ PSFIDTTLKN TLIRHKANLS GVILNEPDNS DATA SEQUENCE SPPSVSGGGN FIRLGDIWLQ MPLLWTENAV DGFLNHEHNN GKSILMTIDS DATA SEQUENCE LPDKYSQEKV QAMEDLVKSL RGGRLTEACI RPVESSLVSV LAHPPYTQSA DATA SEQUENCE LISEWLGPVQ ERFFAHQCQT YNDVPLPAPD TYYQQRILPV LLDSFDRNSA DATA SEQUENCE AMTTHSGLFN QVILHCMTGV DCTDGTRQKA AALYEQYLAH PAVSPHIHNG DATA SEQUENCE LFGNYDGSPD WTTRAADNFL LLSSQDSDTA MMLSTDTLLT MLNPTPDTAW DATA SEQUENCE DNFYLLRAGE NVSTAQISPV ELFRHDFPVF LAAFNQQATQ RRFGELIDII DATA SEQUENCE LSTEEHGELN QQFLAATNQK HSTVKLIDDA SVSRLATIFD PLLPEGKLSP DATA SEQUENCE AHYQHILSAY HLTDATPQKQ AETLFCLSTA FARYSSSAIF GTEHDSPPAL DATA SEQUENCE RGYAEALMQK AWELSPAIFP SSEQFTEWSD RFHGLHGAFT CTSVVADSMQ DATA SEQUENCE RHARKYFPSV LSSILPLAWA 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 163 A HA 0.000 nan 4.320 nan 0.000 0.244 163 A C 0.000 177.538 177.584 -0.077 0.000 1.274 163 A CA 0.000 52.004 52.037 -0.054 0.000 0.836 163 A CB 0.000 18.956 19.000 -0.074 0.000 0.831 164 T N -0.966 113.543 114.554 -0.076 0.000 2.553 164 T HA 0.070 4.418 4.350 -0.003 0.000 0.502 164 T C 0.551 175.026 174.700 -0.374 0.000 0.809 164 T CA 1.679 63.698 62.100 -0.136 0.000 2.657 164 T CB -2.152 66.713 68.868 -0.005 0.000 1.692 164 T HN 2.240 nan 8.240 nan 0.000 0.515 165 S N 0.044 115.462 115.700 -0.470 0.000 5.433 165 S HA 0.372 4.840 4.470 -0.003 0.000 0.146 165 S C 0.597 174.765 174.600 -0.720 0.000 1.105 165 S CA 0.181 58.131 58.200 -0.418 0.000 1.385 165 S CB 0.089 63.130 63.200 -0.266 0.000 1.966 165 S HN 1.030 nan 8.310 nan 0.000 0.575 166 S N 4.494 119.766 115.700 -0.714 0.000 2.558 166 S HA 0.293 4.761 4.470 -0.003 0.000 0.293 166 S C -2.040 171.726 174.600 -1.390 0.000 1.292 166 S CA -0.081 57.655 58.200 -0.773 0.000 1.063 166 S CB 0.856 63.761 63.200 -0.492 0.000 0.831 166 S HN 0.491 nan 8.310 nan 0.000 0.499 167 P HA 0.214 nan 4.420 nan 0.000 0.259 167 P C 0.253 177.488 177.300 -0.108 0.000 1.530 167 P CA -0.063 62.837 63.100 -0.334 0.000 1.022 167 P CB 0.544 32.193 31.700 -0.085 0.000 1.514 168 S N 0.483 116.035 115.700 -0.246 0.000 2.713 168 S HA 0.360 4.829 4.470 -0.003 0.000 0.213 168 S C 0.620 175.266 174.600 0.078 0.000 1.176 168 S CA 0.007 58.171 58.200 -0.060 0.000 1.256 168 S CB -0.292 62.855 63.200 -0.089 0.000 0.951 168 S HN 0.267 nan 8.310 nan 0.000 0.506 169 S N 1.657 117.396 115.700 0.066 0.000 2.606 169 S HA 0.258 4.726 4.470 -0.003 0.000 0.257 169 S C -2.080 172.662 174.600 0.237 0.000 1.327 169 S CA -0.730 57.545 58.200 0.125 0.000 0.984 169 S CB -0.403 62.839 63.200 0.070 0.000 0.941 169 S HN 0.425 nan 8.310 nan 0.000 0.576 170 P HA -0.088 nan 4.420 nan 0.000 0.216 170 P C 1.632 179.056 177.300 0.206 0.000 1.153 170 P CA 1.965 65.183 63.100 0.197 0.000 0.858 170 P CB -0.345 31.415 31.700 0.100 0.000 0.789 171 A N -0.003 122.889 122.820 0.119 0.000 1.908 171 A HA -0.253 4.065 4.320 -0.003 0.000 0.218 171 A C 2.017 179.664 177.584 0.105 0.000 1.181 171 A CA 2.277 54.362 52.037 0.081 0.000 0.627 171 A CB -1.458 17.566 19.000 0.041 0.000 0.818 171 A HN 0.115 nan 8.150 nan 0.000 0.445 172 D N -1.466 118.983 120.400 0.082 0.000 2.117 172 D HA -0.147 4.491 4.640 -0.003 0.000 0.198 172 D C 1.729 178.053 176.300 0.040 0.000 0.982 172 D CA 0.969 54.973 54.000 0.006 0.000 0.828 172 D CB -0.414 40.323 40.800 -0.104 0.000 0.967 172 D HN 0.732 nan 8.370 nan 0.000 0.464 173 W N 1.697 123.057 121.300 0.100 0.000 2.355 173 W HA -0.095 4.563 4.660 -0.003 0.000 0.309 173 W C 2.672 179.478 176.519 0.478 0.000 1.206 173 W CA 1.353 58.813 57.345 0.193 0.000 1.284 173 W CB -0.388 29.009 29.460 -0.106 0.000 1.145 173 W HN -0.070 nan 8.180 nan 0.000 0.502 174 A N 0.190 123.400 122.820 0.650 0.000 1.933 174 A HA -0.232 4.087 4.320 -0.003 0.000 0.218 174 A C 1.845 179.591 177.584 0.272 0.000 1.175 174 A CA 2.108 54.414 52.037 0.449 0.000 0.628 174 A CB -0.725 18.339 19.000 0.108 0.000 0.814 174 A HN 0.216 nan 8.150 nan 0.000 0.444 175 K N 0.190 120.716 120.400 0.210 0.000 2.097 175 K HA -0.070 4.248 4.320 -0.003 0.000 0.205 175 K C 2.111 178.819 176.600 0.180 0.000 1.050 175 K CA 2.204 58.573 56.287 0.136 0.000 0.938 175 K CB -0.499 32.050 32.500 0.081 0.000 0.718 175 K HN 0.319 nan 8.250 nan 0.000 0.442 176 K N 0.915 121.472 120.400 0.263 0.000 2.057 176 K HA -0.030 4.288 4.320 -0.003 0.000 0.206 176 K C 2.098 179.002 176.600 0.507 0.000 1.050 176 K CA 1.549 58.040 56.287 0.341 0.000 0.935 176 K CB -1.173 31.514 32.500 0.312 0.000 0.715 176 K HN 0.260 nan 8.250 nan 0.000 0.439 177 L N 1.689 123.228 121.223 0.526 0.000 2.017 177 L HA -0.138 4.200 4.340 -0.003 0.000 0.208 177 L C 2.817 179.693 176.870 0.011 0.000 1.073 177 L CA 3.187 58.081 54.840 0.091 0.000 0.745 177 L CB -0.911 41.093 42.059 -0.090 0.000 0.894 177 L HN 0.629 nan 8.230 nan 0.000 0.432 178 T N -3.183 111.396 114.554 0.041 0.000 2.788 178 T HA -0.157 4.191 4.350 -0.003 0.000 0.268 178 T C 1.849 176.556 174.700 0.012 0.000 1.044 178 T CA 1.770 63.841 62.100 -0.048 0.000 1.139 178 T CB -1.623 67.222 68.868 -0.038 0.000 0.867 178 T HN 0.549 nan 8.240 nan 0.000 0.454 179 D N 1.584 122.040 120.400 0.093 0.000 2.104 179 D HA 0.135 4.773 4.640 -0.003 0.000 0.194 179 D C 2.496 178.889 176.300 0.155 0.000 0.994 179 D CA 2.010 56.078 54.000 0.114 0.000 0.830 179 D CB -1.055 39.821 40.800 0.126 0.000 0.959 179 D HN 0.740 nan 8.370 nan 0.000 0.452 180 A N -0.374 122.590 122.820 0.240 0.000 1.898 180 A HA 0.152 4.470 4.320 -0.003 0.000 0.216 180 A C 2.606 180.382 177.584 0.319 0.000 1.181 180 A CA 1.814 54.048 52.037 0.329 0.000 0.620 180 A CB -0.614 18.732 19.000 0.577 0.000 0.819 180 A HN 0.550 nan 8.150 nan 0.000 0.442 181 V N -0.134 119.913 119.914 0.222 0.000 2.548 181 V HA -0.137 3.981 4.120 -0.003 0.000 0.249 181 V C 2.374 178.587 176.094 0.199 0.000 1.055 181 V CA 1.660 64.072 62.300 0.186 0.000 1.065 181 V CB -0.357 31.380 31.823 -0.144 0.000 0.681 181 V HN 0.586 nan 8.190 nan 0.000 0.462 182 L N -0.766 120.529 121.223 0.120 0.000 2.109 182 L HA -0.115 4.224 4.340 -0.003 0.000 0.207 182 L C 2.698 179.655 176.870 0.146 0.000 1.086 182 L CA 1.462 56.390 54.840 0.147 0.000 0.760 182 L CB -0.498 41.615 42.059 0.091 0.000 0.910 182 L HN 0.218 nan 8.230 nan 0.000 0.437 183 R N -0.460 120.122 120.500 0.136 0.000 2.081 183 R HA -0.198 4.141 4.340 -0.003 0.000 0.235 183 R C 2.301 178.671 176.300 0.116 0.000 1.131 183 R CA 1.292 57.461 56.100 0.114 0.000 0.960 183 R CB -0.268 30.097 30.300 0.110 0.000 0.856 183 R HN 0.366 nan 8.270 nan 0.000 0.436 184 Q N 0.887 120.779 119.800 0.152 0.000 2.061 184 Q HA -0.223 4.115 4.340 -0.003 0.000 0.204 184 Q C 2.040 178.116 176.000 0.126 0.000 0.984 184 Q CA 1.739 57.628 55.803 0.144 0.000 0.846 184 Q CB 0.044 28.911 28.738 0.216 0.000 0.902 184 Q HN 0.151 nan 8.270 nan 0.000 0.421 185 K N -0.512 119.989 120.400 0.168 0.000 2.147 185 K HA -0.118 4.200 4.320 -0.003 0.000 0.205 185 K C 1.700 178.346 176.600 0.077 0.000 1.049 185 K CA 1.077 57.437 56.287 0.122 0.000 0.936 185 K CB -0.129 32.486 32.500 0.192 0.000 0.722 185 K HN 0.241 nan 8.250 nan 0.000 0.446 186 A N -0.035 122.836 122.820 0.085 0.000 2.172 186 A HA 0.075 4.393 4.320 -0.003 0.000 0.216 186 A C 1.454 179.064 177.584 0.043 0.000 1.154 186 A CA 1.321 53.394 52.037 0.059 0.000 0.701 186 A CB -0.430 18.607 19.000 0.062 0.000 0.789 186 A HN 0.602 nan 8.150 nan 0.000 0.465 187 G N -1.271 107.556 108.800 0.044 0.000 2.201 187 G HA2 -0.206 3.752 3.960 -0.003 0.000 0.212 187 G HA3 -0.206 3.752 3.960 -0.003 0.000 0.212 187 G C 0.034 174.952 174.900 0.030 0.000 0.994 187 G CA 0.229 45.347 45.100 0.031 0.000 0.644 187 G HN 0.637 nan 8.290 nan 0.000 0.508 188 E N 1.268 121.492 120.200 0.039 0.000 2.384 188 E HA 0.433 4.781 4.350 -0.003 0.000 0.266 188 E C -0.190 176.426 176.600 0.028 0.000 1.012 188 E CA 0.205 56.626 56.400 0.034 0.000 0.901 188 E CB 0.362 30.088 29.700 0.044 0.000 0.967 188 E HN 0.118 nan 8.360 nan 0.000 0.435 189 T N 5.341 119.904 114.554 0.015 0.000 2.728 189 T HA 0.286 4.635 4.350 -0.003 0.000 0.296 189 T C -0.027 174.670 174.700 -0.005 0.000 0.940 189 T CA -0.452 61.649 62.100 0.001 0.000 1.013 189 T CB 0.117 68.983 68.868 -0.003 0.000 0.912 189 T HN 0.326 nan 8.240 nan 0.000 0.484 190 L N 3.779 124.990 121.223 -0.021 0.000 2.326 190 L HA 0.386 4.724 4.340 -0.003 0.000 0.278 190 L C 1.503 178.342 176.870 -0.050 0.000 1.092 190 L CA -1.010 53.812 54.840 -0.030 0.000 0.810 190 L CB 0.718 42.748 42.059 -0.047 0.000 1.153 190 L HN 0.674 nan 8.230 nan 0.000 0.439 191 T N -0.610 113.924 114.554 -0.033 0.000 2.795 191 T HA 0.164 4.513 4.350 -0.003 0.000 0.314 191 T C 1.268 175.934 174.700 -0.057 0.000 1.069 191 T CA -0.089 61.989 62.100 -0.036 0.000 1.071 191 T CB 1.183 70.038 68.868 -0.021 0.000 0.988 191 T HN 0.679 nan 8.240 nan 0.000 0.543 192 A N 1.431 124.221 122.820 -0.051 0.000 1.978 192 A HA 0.155 4.473 4.320 -0.003 0.000 0.220 192 A C 2.664 180.225 177.584 -0.039 0.000 1.170 192 A CA 1.773 53.776 52.037 -0.057 0.000 0.636 192 A CB -1.508 17.469 19.000 -0.039 0.000 0.810 192 A HN 1.270 nan 8.150 nan 0.000 0.448 193 A N -0.001 122.803 122.820 -0.027 0.000 1.933 193 A HA -0.174 4.144 4.320 -0.003 0.000 0.218 193 A C 1.675 179.248 177.584 -0.018 0.000 1.175 193 A CA 1.790 53.814 52.037 -0.021 0.000 0.628 193 A CB -0.482 18.506 19.000 -0.020 0.000 0.814 193 A HN 0.446 nan 8.150 nan 0.000 0.444 194 D N -0.764 119.631 120.400 -0.007 0.000 2.312 194 D HA -0.031 4.607 4.640 -0.003 0.000 0.211 194 D C 1.483 177.858 176.300 0.125 0.000 0.964 194 D CA 0.830 54.852 54.000 0.037 0.000 0.877 194 D CB -0.098 40.723 40.800 0.036 0.000 0.924 194 D HN 0.430 nan 8.370 nan 0.000 0.515 195 R N 0.149 120.666 120.500 0.028 0.000 2.509 195 R HA 0.099 4.438 4.340 -0.003 0.000 0.300 195 R C -0.186 176.259 176.300 0.241 0.000 0.985 195 R CA -0.230 55.869 56.100 -0.001 0.000 1.092 195 R CB 0.665 30.652 30.300 -0.522 0.000 1.237 195 R HN -0.128 nan 8.270 nan 0.000 0.546 196 D N 0.003 120.501 120.400 0.164 0.000 2.441 196 D HA 0.050 4.688 4.640 -0.003 0.000 0.221 196 D C -0.663 175.702 176.300 0.109 0.000 1.156 196 D CA -0.252 53.821 54.000 0.121 0.000 0.896 196 D CB 0.303 41.120 40.800 0.027 0.000 1.028 196 D HN 0.020 nan 8.370 nan 0.000 0.509 197 F N 1.415 121.479 119.950 0.189 0.000 2.923 197 F HA 0.221 4.746 4.527 -0.003 0.000 0.314 197 F C 0.960 176.861 175.800 0.168 0.000 1.196 197 F CA -0.545 57.656 58.000 0.334 0.000 1.320 197 F CB 0.076 39.393 39.000 0.530 0.000 0.953 197 F HN 0.052 nan 8.300 nan 0.000 0.505 198 S N 1.558 117.383 115.700 0.209 0.000 2.558 198 S HA -0.050 4.418 4.470 -0.003 0.000 0.293 198 S C 0.929 175.533 174.600 0.007 0.000 1.292 198 S CA 0.145 58.415 58.200 0.117 0.000 1.063 198 S CB 0.017 63.275 63.200 0.097 0.000 0.831 198 S HN 0.599 nan 8.310 nan 0.000 0.499 199 N N -1.184 117.477 118.700 -0.066 0.000 2.828 199 N HA -0.194 4.545 4.740 -0.003 0.000 0.248 199 N C 0.133 175.267 175.510 -0.626 0.000 1.044 199 N CA 0.914 53.846 53.050 -0.196 0.000 0.851 199 N CB -1.705 36.744 38.487 -0.065 0.000 1.136 199 N HN 0.832 nan 8.380 nan 0.000 0.572 200 A N 0.975 123.220 122.820 -0.957 0.000 2.561 200 A HA 0.131 4.449 4.320 -0.003 0.000 0.234 200 A C 0.418 177.006 177.584 -1.661 0.000 1.055 200 A CA 0.659 51.447 52.037 -2.081 0.000 0.756 200 A CB 0.254 18.379 19.000 -1.458 0.000 0.986 200 A HN 0.209 nan 8.150 nan 0.000 0.505 201 D N 1.653 120.847 120.400 -2.009 0.000 2.454 201 D HA 0.443 5.081 4.640 -0.003 0.000 0.225 201 D C -0.616 175.251 176.300 -0.721 0.000 1.081 201 D CA -0.164 53.276 54.000 -0.935 0.000 0.864 201 D CB -0.109 40.432 40.800 -0.432 0.000 1.040 201 D HN 0.362 nan 8.370 nan 0.000 0.517 202 F N 1.953 121.676 119.950 -0.378 0.000 2.708 202 F HA 0.312 4.838 4.527 -0.003 0.000 0.300 202 F C 1.073 176.780 175.800 -0.156 0.000 1.118 202 F CA -0.820 57.013 58.000 -0.279 0.000 1.307 202 F CB 0.422 39.129 39.000 -0.488 0.000 0.986 202 F HN -0.069 nan 8.300 nan 0.000 0.522 203 R N 1.659 122.172 120.500 0.022 0.000 2.522 203 R HA 0.016 4.354 4.340 -0.003 0.000 0.284 203 R C 0.656 177.022 176.300 0.111 0.000 1.032 203 R CA 0.479 56.622 56.100 0.071 0.000 1.049 203 R CB -0.083 30.250 30.300 0.055 0.000 0.956 203 R HN 0.271 nan 8.270 nan 0.000 0.422 204 N N 0.603 119.403 118.700 0.165 0.000 2.828 204 N HA -0.200 4.538 4.740 -0.003 0.000 0.248 204 N C -0.623 174.913 175.510 0.043 0.000 1.044 204 N CA 0.929 54.061 53.050 0.137 0.000 0.851 204 N CB -0.758 37.798 38.487 0.115 0.000 1.136 204 N HN 0.407 nan 8.380 nan 0.000 0.572 205 I N 1.868 122.426 120.570 -0.021 0.000 2.416 205 I HA 0.065 4.234 4.170 -0.003 0.000 0.288 205 I C 0.828 176.816 176.117 -0.215 0.000 1.051 205 I CA 0.392 61.556 61.300 -0.226 0.000 1.375 205 I CB 0.612 38.274 38.000 -0.564 0.000 1.407 205 I HN -0.122 nan 8.210 nan 0.000 0.516 206 T N 7.882 122.337 114.554 -0.165 0.000 2.794 206 T HA 0.232 4.580 4.350 -0.003 0.000 0.304 206 T C 1.173 175.807 174.700 -0.111 0.000 0.973 206 T CA -0.210 61.855 62.100 -0.060 0.000 0.972 206 T CB 0.014 68.882 68.868 -0.001 0.000 0.952 206 T HN 0.245 nan 8.240 nan 0.000 0.509 207 F N 1.871 121.820 119.950 -0.001 0.000 2.269 207 F HA -0.118 4.408 4.527 -0.003 0.000 0.301 207 F C 2.804 178.578 175.800 -0.042 0.000 1.082 207 F CA 1.035 59.006 58.000 -0.047 0.000 1.360 207 F CB -0.335 38.620 39.000 -0.075 0.000 1.041 207 F HN 0.561 nan 8.300 nan 0.000 0.512 208 S N -0.289 115.499 115.700 0.147 0.000 2.469 208 S HA -0.164 4.304 4.470 -0.003 0.000 0.238 208 S C 1.664 176.293 174.600 0.049 0.000 0.998 208 S CA 0.877 59.132 58.200 0.092 0.000 0.957 208 S CB -0.460 62.792 63.200 0.088 0.000 0.764 208 S HN 0.427 nan 8.310 nan 0.000 0.514 209 K N 0.741 121.155 120.400 0.022 0.000 2.379 209 K HA 0.300 4.618 4.320 -0.003 0.000 0.194 209 K C 1.642 178.235 176.600 -0.011 0.000 1.031 209 K CA 0.879 57.166 56.287 0.001 0.000 1.037 209 K CB -0.020 32.472 32.500 -0.013 0.000 0.824 209 K HN 0.730 nan 8.250 nan 0.000 0.516 210 I N -3.102 117.456 120.570 -0.020 0.000 4.403 210 I HA 0.210 4.378 4.170 -0.003 0.000 0.331 210 I C 0.048 176.145 176.117 -0.034 0.000 1.327 210 I CA -0.318 60.962 61.300 -0.033 0.000 1.175 210 I CB 0.454 38.410 38.000 -0.072 0.000 1.165 210 I HN -0.188 nan 8.210 nan 0.000 0.413 211 L N 2.516 123.723 121.223 -0.027 0.000 2.331 211 L HA 0.613 4.951 4.340 -0.003 0.000 0.275 211 L C -2.276 174.610 176.870 0.027 0.000 1.022 211 L CA -1.945 52.840 54.840 -0.091 0.000 0.812 211 L CB 1.106 43.055 42.059 -0.184 0.000 1.257 211 L HN -0.184 nan 8.230 nan 0.000 0.435 212 P HA 0.029 nan 4.420 nan 0.000 0.266 212 P C -2.098 175.322 177.300 0.199 0.000 1.193 212 P CA -0.811 62.392 63.100 0.172 0.000 0.770 212 P CB 0.050 31.910 31.700 0.267 0.000 0.836 213 P HA -0.229 nan 4.420 nan 0.000 0.217 213 P C 1.471 178.808 177.300 0.063 0.000 1.148 213 P CA 1.794 64.936 63.100 0.071 0.000 0.828 213 P CB -0.342 31.377 31.700 0.032 0.000 0.783 214 S N -1.822 113.909 115.700 0.051 0.000 2.440 214 S HA -0.169 4.300 4.470 -0.003 0.000 0.238 214 S C 1.667 176.181 174.600 -0.143 0.000 1.010 214 S CA 1.018 59.180 58.200 -0.064 0.000 0.972 214 S CB -1.738 61.387 63.200 -0.126 0.000 0.774 214 S HN 0.045 nan 8.310 nan 0.000 0.501 215 F N 0.540 120.462 119.950 -0.047 0.000 2.661 215 F HA 0.347 4.873 4.527 -0.003 0.000 0.298 215 F C 1.799 177.550 175.800 -0.082 0.000 1.137 215 F CA 0.537 58.492 58.000 -0.075 0.000 1.454 215 F CB -0.184 38.764 39.000 -0.087 0.000 1.103 215 F HN 0.224 nan 8.300 nan 0.000 0.577 216 M N -1.169 118.478 119.600 0.079 0.000 2.306 216 M HA 0.126 4.604 4.480 -0.003 0.000 0.292 216 M C 0.108 176.394 176.300 -0.023 0.000 1.018 216 M CA 0.163 55.488 55.300 0.042 0.000 1.007 216 M CB 0.167 32.801 32.600 0.056 0.000 1.510 216 M HN -0.175 nan 8.290 nan 0.000 0.537 217 E N 0.614 120.786 120.200 -0.047 0.000 2.349 217 E HA 0.260 4.608 4.350 -0.003 0.000 0.262 217 E C 0.025 176.585 176.600 -0.067 0.000 1.088 217 E CA -0.708 55.650 56.400 -0.070 0.000 0.899 217 E CB 0.806 30.465 29.700 -0.069 0.000 1.044 217 E HN -0.016 nan 8.360 nan 0.000 0.420 218 R N 1.940 122.399 120.500 -0.069 0.000 2.537 218 R HA -0.079 4.259 4.340 -0.003 0.000 0.281 218 R C -0.580 175.684 176.300 -0.059 0.000 0.988 218 R CA 0.545 56.609 56.100 -0.061 0.000 1.077 218 R CB -0.365 29.901 30.300 -0.057 0.000 0.932 218 R HN 0.607 nan 8.270 nan 0.000 0.409 219 D N 0.234 120.600 120.400 -0.056 0.000 2.811 219 D HA -0.191 4.447 4.640 -0.003 0.000 0.231 219 D C 0.759 177.020 176.300 -0.065 0.000 1.157 219 D CA 1.673 55.646 54.000 -0.046 0.000 0.716 219 D CB -0.857 39.918 40.800 -0.041 0.000 1.077 219 D HN 0.784 nan 8.370 nan 0.000 0.428 220 G N -0.732 108.016 108.800 -0.087 0.000 2.582 220 G HA2 0.324 4.283 3.960 -0.003 0.000 0.232 220 G HA3 0.324 4.283 3.960 -0.003 0.000 0.232 220 G C 0.047 174.811 174.900 -0.227 0.000 1.458 220 G CA -0.507 44.503 45.100 -0.150 0.000 1.062 220 G HN 0.060 nan 8.290 nan 0.000 0.566 221 D N 0.067 120.202 120.400 -0.442 0.000 2.362 221 D HA 0.298 4.937 4.640 -0.003 0.000 0.242 221 D C 0.289 176.298 176.300 -0.484 0.000 1.132 221 D CA 0.492 54.083 54.000 -0.681 0.000 0.907 221 D CB 1.659 41.517 40.800 -1.570 0.000 1.195 221 D HN 0.420 nan 8.370 nan 0.000 0.429 222 I N -1.820 118.569 120.570 -0.300 0.000 2.689 222 I HA 0.464 4.632 4.170 -0.003 0.000 0.299 222 I C -0.855 175.274 176.117 0.019 0.000 1.059 222 I CA -1.052 60.143 61.300 -0.176 0.000 1.055 222 I CB 1.766 39.549 38.000 -0.363 0.000 1.243 222 I HN 0.136 nan 8.210 nan 0.000 0.425 223 I N 5.208 125.764 120.570 -0.024 0.000 2.291 223 I HA 0.322 4.491 4.170 -0.003 0.000 0.292 223 I C -0.088 176.185 176.117 0.260 0.000 1.064 223 I CA -0.088 61.268 61.300 0.094 0.000 1.269 223 I CB 0.517 38.423 38.000 -0.157 0.000 1.418 223 I HN 0.532 nan 8.210 nan 0.000 0.485 224 K N 5.313 125.940 120.400 0.378 0.000 2.323 224 K HA 0.548 4.867 4.320 -0.003 0.000 0.259 224 K C 0.581 177.297 176.600 0.192 0.000 0.947 224 K CA -0.292 56.139 56.287 0.241 0.000 0.819 224 K CB 1.481 34.038 32.500 0.094 0.000 1.109 224 K HN 0.755 nan 8.250 nan 0.000 0.429 225 G N 3.496 112.376 108.800 0.133 0.000 2.137 225 G HA2 -0.234 3.724 3.960 -0.003 0.000 0.237 225 G HA3 -0.234 3.724 3.960 -0.003 0.000 0.237 225 G C -0.557 174.221 174.900 -0.202 0.000 1.002 225 G CA -0.182 44.888 45.100 -0.050 0.000 0.702 225 G HN 0.457 nan 8.290 nan 0.000 0.515 226 F N 0.340 120.192 119.950 -0.164 0.000 2.379 226 F HA 0.560 5.085 4.527 -0.003 0.000 0.332 226 F C 0.658 176.132 175.800 -0.543 0.000 1.096 226 F CA -1.315 56.443 58.000 -0.403 0.000 1.105 226 F CB 1.160 39.697 39.000 -0.771 0.000 1.189 226 F HN 0.025 nan 8.300 nan 0.000 0.515 227 N N 2.737 121.297 118.700 -0.234 0.000 2.439 227 N HA 0.211 4.950 4.740 -0.003 0.000 0.249 227 N C -0.836 174.554 175.510 -0.201 0.000 1.003 227 N CA -0.168 52.778 53.050 -0.174 0.000 0.942 227 N CB 0.091 38.569 38.487 -0.014 0.000 1.115 227 N HN 0.486 nan 8.380 nan 0.000 0.505 228 F N 0.709 120.671 119.950 0.019 0.000 2.855 228 F HA 0.266 4.791 4.527 -0.003 0.000 0.317 228 F C 1.038 176.879 175.800 0.067 0.000 1.169 228 F CA -0.663 57.362 58.000 0.042 0.000 1.299 228 F CB 0.365 39.275 39.000 -0.150 0.000 0.962 228 F HN 0.207 nan 8.300 nan 0.000 0.506 229 S N 1.123 116.947 115.700 0.206 0.000 2.558 229 S HA -0.143 4.325 4.470 -0.003 0.000 0.293 229 S C 0.931 175.666 174.600 0.225 0.000 1.292 229 S CA 0.193 58.526 58.200 0.222 0.000 1.063 229 S CB -0.044 63.275 63.200 0.199 0.000 0.831 229 S HN 0.660 nan 8.310 nan 0.000 0.499 230 N N 0.997 119.867 118.700 0.283 0.000 2.710 230 N HA -0.211 4.527 4.740 -0.003 0.000 0.249 230 N C -0.091 175.488 175.510 0.114 0.000 1.059 230 N CA 0.853 54.030 53.050 0.212 0.000 0.720 230 N CB -1.145 37.416 38.487 0.123 0.000 0.983 230 N HN 0.683 nan 8.380 nan 0.000 0.544 231 S N -0.812 114.989 115.700 0.167 0.000 2.693 231 S HA 0.522 4.990 4.470 -0.003 0.000 0.276 231 S C -0.089 174.553 174.600 0.070 0.000 1.192 231 S CA -0.650 57.576 58.200 0.044 0.000 0.994 231 S CB 1.753 65.031 63.200 0.130 0.000 1.012 231 S HN 0.273 nan 8.310 nan 0.000 0.550 232 K N 0.706 121.036 120.400 -0.118 0.000 2.449 232 K HA 0.387 4.705 4.320 -0.003 0.000 0.257 232 K C -1.288 175.276 176.600 -0.060 0.000 0.989 232 K CA -0.187 56.068 56.287 -0.052 0.000 0.916 232 K CB 0.801 33.225 32.500 -0.127 0.000 1.136 232 K HN 0.611 nan 8.250 nan 0.000 0.439 233 F N 0.728 120.715 119.950 0.062 0.000 2.653 233 F HA 0.043 4.568 4.527 -0.003 0.000 0.304 233 F C 0.489 176.308 175.800 0.032 0.000 1.092 233 F CA -0.326 57.752 58.000 0.131 0.000 1.279 233 F CB 0.710 39.784 39.000 0.124 0.000 1.044 233 F HN 0.321 nan 8.300 nan 0.000 0.564 234 T N 1.205 115.770 114.554 0.019 0.000 2.849 234 T HA -0.187 4.161 4.350 -0.003 0.000 0.289 234 T C -0.152 174.387 174.700 -0.268 0.000 1.010 234 T CA 0.564 62.466 62.100 -0.331 0.000 1.161 234 T CB -0.276 68.198 68.868 -0.657 0.000 0.989 234 T HN 0.385 nan 8.240 nan 0.000 0.523 235 Y N -0.457 119.924 120.300 0.136 0.000 4.881 235 Y HA -0.284 4.264 4.550 -0.003 0.000 0.241 235 Y C 1.302 177.278 175.900 0.126 0.000 0.985 235 Y CA 0.215 58.381 58.100 0.111 0.000 1.976 235 Y CB -2.980 35.524 38.460 0.074 0.000 1.528 235 Y HN 0.872 nan 8.280 nan 0.000 0.581 236 S N -0.337 115.522 115.700 0.266 0.000 2.655 236 S HA 0.528 4.996 4.470 -0.003 0.000 0.265 236 S C -0.139 174.618 174.600 0.261 0.000 1.240 236 S CA -0.345 58.018 58.200 0.270 0.000 0.986 236 S CB 2.363 65.794 63.200 0.385 0.000 0.985 236 S HN 0.243 nan 8.310 nan 0.000 0.562 237 D N 0.328 120.888 120.400 0.265 0.000 2.462 237 D HA 0.332 4.970 4.640 -0.003 0.000 0.245 237 D C 0.286 176.772 176.300 0.311 0.000 1.122 237 D CA -0.703 53.427 54.000 0.217 0.000 0.864 237 D CB 0.561 41.449 40.800 0.146 0.000 1.098 237 D HN 0.644 nan 8.370 nan 0.000 0.541 238 I N 0.200 120.892 120.570 0.203 0.000 3.877 238 I HA 0.321 4.489 4.170 -0.003 0.000 0.332 238 I C 0.025 176.117 176.117 -0.042 0.000 1.525 238 I CA -0.610 60.754 61.300 0.108 0.000 1.146 238 I CB 0.308 38.361 38.000 0.090 0.000 1.137 238 I HN -0.054 nan 8.210 nan 0.000 0.424 239 S N 2.145 117.813 115.700 -0.055 0.000 2.552 239 S HA 0.024 4.492 4.470 -0.003 0.000 0.289 239 S C 0.715 175.200 174.600 -0.193 0.000 1.304 239 S CA 0.365 58.421 58.200 -0.240 0.000 1.063 239 S CB -0.270 62.809 63.200 -0.202 0.000 0.848 239 S HN 0.630 nan 8.310 nan 0.000 0.499 240 H N -1.451 117.540 119.070 -0.132 0.000 3.080 240 H HA -0.151 4.403 4.556 -0.003 0.000 0.254 240 H C -0.257 174.973 175.328 -0.163 0.000 1.179 240 H CA 0.628 56.595 56.048 -0.135 0.000 1.144 240 H CB -2.002 27.709 29.762 -0.084 0.000 1.261 240 H HN 0.437 nan 8.280 nan 0.000 0.333 241 L N 0.651 121.762 121.223 -0.186 0.000 2.399 241 L HA 0.386 4.724 4.340 -0.003 0.000 0.265 241 L C 1.021 177.670 176.870 -0.368 0.000 1.089 241 L CA -0.277 54.368 54.840 -0.325 0.000 0.802 241 L CB 1.414 43.124 42.059 -0.580 0.000 1.180 241 L HN 0.247 nan 8.230 nan 0.000 0.454 242 H N 1.764 120.530 119.070 -0.505 0.000 2.800 242 H HA 0.379 4.933 4.556 -0.003 0.000 0.322 242 H C -1.474 173.600 175.328 -0.423 0.000 0.979 242 H CA -0.766 55.041 56.048 -0.401 0.000 1.277 242 H CB 0.988 30.615 29.762 -0.224 0.000 1.484 242 H HN 0.329 nan 8.280 nan 0.000 0.512 243 F N 3.421 123.375 119.950 0.006 0.000 2.410 243 F HA 0.183 4.708 4.527 -0.003 0.000 0.349 243 F C 0.186 176.054 175.800 0.114 0.000 1.117 243 F CA -0.509 57.545 58.000 0.090 0.000 1.104 243 F CB 1.343 40.522 39.000 0.298 0.000 1.122 243 F HN 0.570 nan 8.300 nan 0.000 0.483 244 D N 1.892 122.406 120.400 0.189 0.000 2.646 244 D HA 0.253 4.891 4.640 -0.003 0.000 0.245 244 D C -0.555 175.864 176.300 0.198 0.000 1.099 244 D CA -0.313 53.764 54.000 0.128 0.000 0.849 244 D CB 0.982 41.726 40.800 -0.094 0.000 1.448 244 D HN 0.642 nan 8.370 nan 0.000 0.489 245 E N 0.890 121.207 120.200 0.194 0.000 2.360 245 E HA -0.211 4.137 4.350 -0.003 0.000 0.238 245 E C -0.653 176.047 176.600 0.166 0.000 1.186 245 E CA 0.318 56.810 56.400 0.154 0.000 0.719 245 E CB -1.487 28.267 29.700 0.090 0.000 1.236 245 E HN 0.348 nan 8.360 nan 0.000 0.386 246 C N -0.085 119.369 119.300 0.257 0.000 2.399 246 C HA 0.539 4.997 4.460 -0.003 0.000 0.348 246 C C 0.787 175.863 174.990 0.143 0.000 1.183 246 C CA -0.688 58.440 59.018 0.184 0.000 2.023 246 C CB 1.206 29.140 27.740 0.323 0.000 2.361 246 C HN 0.282 nan 8.230 nan 0.000 0.521 247 R N 0.899 121.384 120.500 -0.026 0.000 2.343 247 R HA 0.394 4.732 4.340 -0.003 0.000 0.320 247 R C -0.962 175.323 176.300 -0.026 0.000 0.956 247 R CA -0.176 55.944 56.100 0.033 0.000 0.836 247 R CB 0.789 31.102 30.300 0.021 0.000 1.151 247 R HN 0.702 nan 8.270 nan 0.000 0.450 248 F N -0.040 119.980 119.950 0.116 0.000 2.688 248 F HA 0.105 4.631 4.527 -0.003 0.000 0.310 248 F C 0.586 176.413 175.800 0.044 0.000 1.098 248 F CA -0.321 57.744 58.000 0.108 0.000 1.228 248 F CB 0.957 39.925 39.000 -0.054 0.000 1.042 248 F HN 0.347 nan 8.300 nan 0.000 0.557 249 T N 1.298 115.921 114.554 0.114 0.000 2.819 249 T HA -0.184 4.164 4.350 -0.003 0.000 0.282 249 T C -0.004 174.680 174.700 -0.028 0.000 1.013 249 T CA 1.067 63.088 62.100 -0.132 0.000 1.159 249 T CB -0.463 68.250 68.868 -0.257 0.000 1.007 249 T HN 0.503 nan 8.240 nan 0.000 0.514 250 Y N -0.210 120.158 120.300 0.113 0.000 4.936 250 Y HA -0.285 4.263 4.550 -0.003 0.000 0.260 250 Y C 1.303 177.304 175.900 0.168 0.000 0.928 250 Y CA 0.346 58.521 58.100 0.125 0.000 1.869 250 Y CB -2.179 36.341 38.460 0.100 0.000 1.344 250 Y HN 0.610 nan 8.280 nan 0.000 0.521 251 S N 0.548 116.426 115.700 0.296 0.000 2.585 251 S HA 0.371 4.839 4.470 -0.003 0.000 0.273 251 S C 0.548 175.314 174.600 0.277 0.000 1.339 251 S CA -0.196 58.186 58.200 0.304 0.000 1.028 251 S CB 1.163 64.604 63.200 0.402 0.000 0.906 251 S HN 0.193 nan 8.310 nan 0.000 0.528 252 T N 3.080 117.777 114.554 0.239 0.000 2.743 252 T HA 0.359 4.707 4.350 -0.003 0.000 0.292 252 T C 0.052 174.857 174.700 0.175 0.000 0.972 252 T CA -0.374 61.835 62.100 0.181 0.000 0.967 252 T CB 0.319 69.211 68.868 0.039 0.000 0.926 252 T HN 0.269 nan 8.240 nan 0.000 0.459 253 L N 2.774 124.080 121.223 0.139 0.000 3.017 253 L HA 0.299 4.637 4.340 -0.003 0.000 0.255 253 L C 1.191 178.120 176.870 0.098 0.000 1.247 253 L CA -0.033 54.865 54.840 0.096 0.000 1.038 253 L CB 0.263 42.306 42.059 -0.027 0.000 1.380 253 L HN 0.575 nan 8.230 nan 0.000 0.548 254 S N 0.815 116.554 115.700 0.065 0.000 2.546 254 S HA -0.018 4.450 4.470 -0.003 0.000 0.290 254 S C 0.629 175.248 174.600 0.031 0.000 1.290 254 S CA 0.018 58.245 58.200 0.046 0.000 1.069 254 S CB -0.072 63.112 63.200 -0.027 0.000 0.846 254 S HN 0.562 nan 8.310 nan 0.000 0.495 255 D N 1.225 121.704 120.400 0.132 0.000 2.837 255 D HA -0.139 4.499 4.640 -0.003 0.000 0.230 255 D C -0.396 176.042 176.300 0.230 0.000 1.152 255 D CA 0.652 54.779 54.000 0.213 0.000 0.736 255 D CB -1.703 39.302 40.800 0.342 0.000 1.084 255 D HN 0.333 nan 8.370 nan 0.000 0.429 256 V N 1.027 121.060 119.914 0.199 0.000 2.498 256 V HA 0.143 4.261 4.120 -0.003 0.000 0.279 256 V C 1.030 177.219 176.094 0.158 0.000 1.048 256 V CA -0.694 61.716 62.300 0.184 0.000 0.967 256 V CB 1.908 33.823 31.823 0.153 0.000 0.988 256 V HN -0.034 nan 8.190 nan 0.000 0.473 257 V N 4.933 124.925 119.914 0.131 0.000 2.446 257 V HA 0.095 4.214 4.120 -0.003 0.000 0.276 257 V C 0.655 176.729 176.094 -0.033 0.000 1.030 257 V CA -0.175 62.159 62.300 0.057 0.000 1.033 257 V CB 0.303 32.168 31.823 0.070 0.000 0.993 257 V HN 1.139 nan 8.190 nan 0.000 0.477 258 C N 1.767 120.960 119.300 -0.178 0.000 3.206 258 C HA 0.456 4.914 4.460 -0.003 0.000 0.206 258 C C 0.555 175.320 174.990 -0.374 0.000 1.836 258 C CA -0.906 57.951 59.018 -0.269 0.000 1.382 258 C CB -1.462 26.106 27.740 -0.288 0.000 2.405 258 C HN 0.629 nan 8.230 nan 0.000 0.516 259 S N 2.934 118.421 115.700 -0.356 0.000 2.481 259 S HA 0.211 4.679 4.470 -0.003 0.000 0.282 259 S C 0.910 175.150 174.600 -0.599 0.000 1.243 259 S CA 0.561 58.515 58.200 -0.410 0.000 1.078 259 S CB -0.119 62.878 63.200 -0.338 0.000 0.916 259 S HN 0.863 nan 8.310 nan 0.000 0.495 260 N N 1.426 119.890 118.700 -0.392 0.000 2.800 260 N HA -0.162 4.577 4.740 -0.003 0.000 0.250 260 N C -0.482 174.819 175.510 -0.347 0.000 1.078 260 N CA 1.147 54.011 53.050 -0.309 0.000 0.804 260 N CB -1.638 36.745 38.487 -0.174 0.000 1.135 260 N HN 0.622 nan 8.380 nan 0.000 0.565 261 T N 0.981 115.287 114.554 -0.414 0.000 2.888 261 T HA 0.074 4.422 4.350 -0.003 0.000 0.301 261 T C 0.537 174.883 174.700 -0.589 0.000 1.001 261 T CA 0.135 61.943 62.100 -0.488 0.000 1.147 261 T CB 1.208 69.770 68.868 -0.509 0.000 0.931 261 T HN 0.158 nan 8.240 nan 0.000 0.541 262 K N 2.557 122.598 120.400 -0.598 0.000 2.206 262 K HA 0.475 4.793 4.320 -0.003 0.000 0.264 262 K C -1.447 174.834 176.600 -0.532 0.000 0.967 262 K CA -0.667 55.300 56.287 -0.533 0.000 0.844 262 K CB 0.661 32.824 32.500 -0.560 0.000 1.099 262 K HN 0.455 nan 8.250 nan 0.000 0.441 263 F N 2.409 122.264 119.950 -0.158 0.000 2.445 263 F HA 0.254 4.780 4.527 -0.003 0.000 0.348 263 F C 0.015 175.888 175.800 0.122 0.000 1.125 263 F CA -0.690 57.330 58.000 0.033 0.000 0.983 263 F CB 1.910 40.835 39.000 -0.124 0.000 1.198 263 F HN 0.399 nan 8.300 nan 0.000 0.436 264 S N 2.035 117.962 115.700 0.380 0.000 2.536 264 S HA 0.439 4.907 4.470 -0.003 0.000 0.298 264 S C -0.092 174.667 174.600 0.264 0.000 1.083 264 S CA -0.974 57.404 58.200 0.297 0.000 0.995 264 S CB 1.581 64.970 63.200 0.314 0.000 1.058 264 S HN 0.654 nan 8.310 nan 0.000 0.488 265 N N 0.234 119.057 118.700 0.204 0.000 2.708 265 N HA -0.147 4.591 4.740 -0.003 0.000 0.249 265 N C -0.696 174.923 175.510 0.181 0.000 1.097 265 N CA 1.150 54.298 53.050 0.163 0.000 0.710 265 N CB -1.646 36.920 38.487 0.131 0.000 1.032 265 N HN 0.632 nan 8.380 nan 0.000 0.551 266 S N 0.049 115.883 115.700 0.224 0.000 2.621 266 S HA 0.314 4.782 4.470 -0.003 0.000 0.302 266 S C -0.210 174.499 174.600 0.182 0.000 1.093 266 S CA -0.781 57.572 58.200 0.256 0.000 1.017 266 S CB 2.639 66.083 63.200 0.405 0.000 1.077 266 S HN 0.183 nan 8.310 nan 0.000 0.517 267 D N 1.656 122.160 120.400 0.173 0.000 2.412 267 D HA 0.319 4.957 4.640 -0.003 0.000 0.224 267 D C -0.692 175.676 176.300 0.113 0.000 1.093 267 D CA -0.238 53.819 54.000 0.096 0.000 0.850 267 D CB 0.393 41.228 40.800 0.059 0.000 1.046 267 D HN 0.405 nan 8.370 nan 0.000 0.507 268 M N 2.946 122.556 119.600 0.017 0.000 3.109 268 M HA 0.230 4.709 4.480 -0.003 0.000 0.274 268 M C -0.202 176.017 176.300 -0.136 0.000 1.171 268 M CA -0.497 54.766 55.300 -0.061 0.000 0.856 268 M CB 0.019 32.489 32.600 -0.218 0.000 1.335 268 M HN 0.085 nan 8.290 nan 0.000 0.531 269 N N 1.006 119.627 118.700 -0.133 0.000 2.524 269 N HA 0.149 4.887 4.740 -0.003 0.000 0.283 269 N C 0.137 175.500 175.510 -0.246 0.000 1.142 269 N CA -0.400 52.537 53.050 -0.190 0.000 0.984 269 N CB 0.697 39.070 38.487 -0.191 0.000 1.155 269 N HN 0.222 nan 8.380 nan 0.000 0.467 270 E N -0.339 119.733 120.200 -0.213 0.000 2.586 270 E HA -0.178 4.170 4.350 -0.003 0.000 0.259 270 E C -0.901 175.616 176.600 -0.139 0.000 1.107 270 E CA 0.263 56.551 56.400 -0.187 0.000 0.754 270 E CB -1.108 28.449 29.700 -0.239 0.000 1.335 270 E HN 0.382 nan 8.360 nan 0.000 0.411 271 V N -2.140 117.682 119.914 -0.153 0.000 2.834 271 V HA 0.706 4.825 4.120 -0.003 0.000 0.313 271 V C 0.146 176.151 176.094 -0.148 0.000 1.060 271 V CA -0.730 61.536 62.300 -0.056 0.000 0.989 271 V CB 1.126 32.920 31.823 -0.048 0.000 1.041 271 V HN 0.079 nan 8.190 nan 0.000 0.459 272 F N 3.737 123.687 119.950 0.000 0.000 2.371 272 F HA 0.572 5.097 4.527 -0.003 0.000 0.363 272 F C 0.532 176.329 175.800 -0.004 0.000 1.122 272 F CA -0.306 57.697 58.000 0.004 0.000 1.129 272 F CB 1.298 40.306 39.000 0.013 0.000 1.173 272 F HN 0.346 nan 8.300 nan 0.000 0.489 273 L N 3.951 125.238 121.223 0.106 0.000 3.209 273 L HA 0.274 4.613 4.340 -0.003 0.000 0.279 273 L C -0.179 176.758 176.870 0.111 0.000 1.301 273 L CA 0.077 54.972 54.840 0.093 0.000 1.004 273 L CB 0.106 42.173 42.059 0.013 0.000 1.402 273 L HN 0.545 nan 8.230 nan 0.000 0.577 274 Q N 1.285 121.149 119.800 0.106 0.000 2.472 274 Q HA 0.155 4.493 4.340 -0.003 0.000 0.227 274 Q C -0.736 175.275 176.000 0.019 0.000 1.156 274 Q CA -0.366 55.441 55.803 0.007 0.000 0.924 274 Q CB 0.331 29.104 28.738 0.058 0.000 1.354 274 Q HN 0.322 nan 8.270 nan 0.000 0.525 275 Y N -0.665 119.659 120.300 0.041 0.000 2.289 275 Y HA 0.391 4.939 4.550 -0.003 0.000 0.332 275 Y C 0.533 176.458 175.900 0.041 0.000 1.324 275 Y CA -1.435 56.690 58.100 0.041 0.000 1.478 275 Y CB 0.303 38.782 38.460 0.030 0.000 1.378 275 Y HN 0.235 nan 8.280 nan 0.000 0.558 276 S N 0.804 116.716 115.700 0.353 0.000 2.549 276 S HA 0.123 4.591 4.470 -0.003 0.000 0.283 276 S C 1.038 175.776 174.600 0.230 0.000 1.320 276 S CA -0.320 58.017 58.200 0.228 0.000 1.058 276 S CB -0.506 62.814 63.200 0.201 0.000 0.882 276 S HN 0.790 nan 8.310 nan 0.000 0.498 277 I N 2.948 123.582 120.570 0.106 0.000 3.176 277 I HA 0.039 4.207 4.170 -0.003 0.000 0.275 277 I C 1.821 177.992 176.117 0.089 0.000 1.298 277 I CA 1.067 62.413 61.300 0.075 0.000 1.445 277 I CB -0.936 37.076 38.000 0.020 0.000 1.075 277 I HN 0.721 nan 8.210 nan 0.000 0.482 278 T N -1.923 112.688 114.554 0.096 0.000 3.113 278 T HA 0.010 4.359 4.350 -0.003 0.000 0.263 278 T C 0.952 175.694 174.700 0.070 0.000 1.143 278 T CA 0.354 62.499 62.100 0.075 0.000 1.090 278 T CB -1.177 67.733 68.868 0.070 0.000 0.922 278 T HN 0.353 nan 8.240 nan 0.000 0.521 279 T N 3.295 117.908 114.554 0.099 0.000 2.867 279 T HA 0.083 4.432 4.350 -0.003 0.000 0.297 279 T C 1.049 175.766 174.700 0.027 0.000 0.989 279 T CA -0.307 61.815 62.100 0.038 0.000 1.159 279 T CB 1.033 69.912 68.868 0.017 0.000 0.928 279 T HN 0.355 nan 8.240 nan 0.000 0.538 280 Q N 2.781 122.572 119.800 -0.016 0.000 1.909 280 Q HA 0.054 4.392 4.340 -0.003 0.000 0.209 280 Q C 0.491 176.476 176.000 -0.025 0.000 0.974 280 Q CA 0.783 56.582 55.803 -0.007 0.000 0.851 280 Q CB -0.250 28.491 28.738 0.005 0.000 0.904 280 Q HN 0.595 nan 8.270 nan 0.000 0.445 281 Q N 1.766 121.531 119.800 -0.058 0.000 2.332 281 Q HA 0.110 4.448 4.340 -0.003 0.000 0.263 281 Q C -0.641 175.291 176.000 -0.114 0.000 0.979 281 Q CA 0.284 56.045 55.803 -0.071 0.000 0.885 281 Q CB 0.612 29.301 28.738 -0.081 0.000 1.218 281 Q HN 0.106 nan 8.270 nan 0.000 0.405 282 Q N 4.041 123.802 119.800 -0.066 0.000 2.333 282 Q HA 0.008 4.346 4.340 -0.003 0.000 0.299 282 Q C -1.926 173.984 176.000 -0.151 0.000 1.067 282 Q CA -0.952 54.813 55.803 -0.063 0.000 0.943 282 Q CB 0.083 28.830 28.738 0.015 0.000 1.233 282 Q HN 0.430 nan 8.270 nan 0.000 0.401 283 P HA 0.009 nan 4.420 nan 0.000 0.274 283 P C -1.085 176.073 177.300 -0.237 0.000 1.237 283 P CA -0.207 62.726 63.100 -0.279 0.000 0.793 283 P CB 1.062 32.588 31.700 -0.290 0.000 0.977 284 S N 0.296 115.771 115.700 -0.375 0.000 2.542 284 S HA 0.748 5.216 4.470 -0.003 0.000 0.293 284 S C -1.173 173.189 174.600 -0.397 0.000 1.089 284 S CA -0.670 57.389 58.200 -0.234 0.000 0.961 284 S CB 0.890 64.013 63.200 -0.127 0.000 1.062 284 S HN 0.216 nan 8.310 nan 0.000 0.483 285 F N 1.810 121.812 119.950 0.088 0.000 2.499 285 F HA 0.561 5.086 4.527 -0.003 0.000 0.333 285 F C -0.455 175.395 175.800 0.084 0.000 1.138 285 F CA -0.934 57.135 58.000 0.113 0.000 0.945 285 F CB 1.624 40.659 39.000 0.058 0.000 1.181 285 F HN 0.405 nan 8.300 nan 0.000 0.435 286 I N 3.373 124.078 120.570 0.225 0.000 2.436 286 I HA 0.250 4.419 4.170 -0.003 0.000 0.289 286 I C -0.303 175.914 176.117 0.167 0.000 1.010 286 I CA -0.855 60.539 61.300 0.158 0.000 1.098 286 I CB 1.464 39.522 38.000 0.097 0.000 1.266 286 I HN 0.582 nan 8.210 nan 0.000 0.434 287 D N 3.414 123.897 120.400 0.139 0.000 2.686 287 D HA -0.159 4.479 4.640 -0.003 0.000 0.235 287 D C -0.060 176.322 176.300 0.137 0.000 1.160 287 D CA 1.057 55.131 54.000 0.123 0.000 0.645 287 D CB -0.750 40.113 40.800 0.105 0.000 1.039 287 D HN 0.559 nan 8.370 nan 0.000 0.423 288 T N -0.118 114.524 114.554 0.148 0.000 2.893 288 T HA 0.546 4.894 4.350 -0.003 0.000 0.293 288 T C 0.270 175.004 174.700 0.057 0.000 1.027 288 T CA -0.625 61.562 62.100 0.144 0.000 0.988 288 T CB 2.144 71.165 68.868 0.256 0.000 1.043 288 T HN 0.147 nan 8.240 nan 0.000 0.461 289 T N 0.855 115.417 114.554 0.014 0.000 2.875 289 T HA 0.679 5.027 4.350 -0.003 0.000 0.284 289 T C 0.080 174.703 174.700 -0.128 0.000 0.995 289 T CA -0.836 61.229 62.100 -0.058 0.000 1.060 289 T CB 0.527 69.367 68.868 -0.048 0.000 0.967 289 T HN 0.430 nan 8.240 nan 0.000 0.476 290 L N 1.539 122.646 121.223 -0.193 0.000 3.186 290 L HA 0.384 4.722 4.340 -0.003 0.000 0.292 290 L C 0.646 177.378 176.870 -0.232 0.000 1.303 290 L CA -0.684 54.002 54.840 -0.256 0.000 0.940 290 L CB 0.350 42.185 42.059 -0.373 0.000 1.358 290 L HN 0.705 nan 8.230 nan 0.000 0.581 291 K N 1.729 122.013 120.400 -0.193 0.000 2.430 291 K HA -0.031 4.287 4.320 -0.003 0.000 0.280 291 K C 0.253 176.748 176.600 -0.175 0.000 1.063 291 K CA 0.278 56.451 56.287 -0.189 0.000 1.071 291 K CB 0.243 32.655 32.500 -0.147 0.000 0.899 291 K HN 0.318 nan 8.250 nan 0.000 0.473 292 N N 1.773 120.349 118.700 -0.206 0.000 2.714 292 N HA -0.155 4.584 4.740 -0.003 0.000 0.250 292 N C -1.109 174.419 175.510 0.031 0.000 1.117 292 N CA 1.359 54.375 53.050 -0.057 0.000 0.719 292 N CB -1.395 37.121 38.487 0.049 0.000 1.081 292 N HN 0.558 nan 8.380 nan 0.000 0.557 293 T N 1.050 115.549 114.554 -0.091 0.000 2.799 293 T HA 0.393 4.741 4.350 -0.003 0.000 0.286 293 T C 0.743 175.407 174.700 -0.060 0.000 0.973 293 T CA -0.506 61.508 62.100 -0.142 0.000 1.035 293 T CB 1.621 70.362 68.868 -0.212 0.000 0.932 293 T HN 0.099 nan 8.240 nan 0.000 0.469 294 L N 6.017 127.159 121.223 -0.135 0.000 2.283 294 L HA 0.504 4.842 4.340 -0.003 0.000 0.287 294 L C -0.151 176.714 176.870 -0.008 0.000 1.073 294 L CA -0.515 54.311 54.840 -0.025 0.000 0.822 294 L CB 0.013 42.009 42.059 -0.105 0.000 1.186 294 L HN 0.638 nan 8.230 nan 0.000 0.436 295 I N 1.841 122.422 120.570 0.018 0.000 2.493 295 I HA 0.491 4.659 4.170 -0.003 0.000 0.298 295 I C 0.075 176.203 176.117 0.019 0.000 0.998 295 I CA -1.023 60.277 61.300 -0.000 0.000 1.137 295 I CB 1.513 39.473 38.000 -0.066 0.000 1.310 295 I HN 0.582 nan 8.210 nan 0.000 0.445 296 R N 4.297 124.751 120.500 -0.076 0.000 2.640 296 R HA 0.009 4.347 4.340 -0.003 0.000 0.270 296 R C 0.866 177.064 176.300 -0.169 0.000 1.024 296 R CA -0.016 55.937 56.100 -0.246 0.000 1.085 296 R CB 0.388 30.217 30.300 -0.783 0.000 0.963 296 R HN 0.878 nan 8.270 nan 0.000 0.426 297 H N 2.386 121.350 119.070 -0.177 0.000 2.612 297 H HA 0.135 4.689 4.556 -0.003 0.000 0.285 297 H C -0.727 174.563 175.328 -0.064 0.000 1.066 297 H CA 0.111 56.100 56.048 -0.098 0.000 1.180 297 H CB -0.099 29.575 29.762 -0.148 0.000 1.312 297 H HN 0.320 nan 8.280 nan 0.000 0.606 298 K N 1.217 121.482 120.400 -0.225 0.000 2.626 298 K HA 0.660 4.978 4.320 -0.003 0.000 0.223 298 K C -1.171 175.515 176.600 0.144 0.000 0.992 298 K CA -0.350 55.899 56.287 -0.062 0.000 1.024 298 K CB 1.949 34.361 32.500 -0.146 0.000 1.225 298 K HN 0.355 nan 8.250 nan 0.000 0.498 299 A N 2.001 124.910 122.820 0.149 0.000 2.606 299 A HA 0.449 4.767 4.320 -0.003 0.000 0.293 299 A C -1.616 176.074 177.584 0.177 0.000 1.082 299 A CA -0.849 51.325 52.037 0.228 0.000 0.685 299 A CB 1.442 20.648 19.000 0.344 0.000 1.284 299 A HN 0.492 nan 8.150 nan 0.000 0.408 300 N N 1.313 120.124 118.700 0.186 0.000 2.437 300 N HA 0.400 5.138 4.740 -0.003 0.000 0.243 300 N C -0.404 175.242 175.510 0.226 0.000 1.041 300 N CA -0.328 52.808 53.050 0.143 0.000 0.940 300 N CB 0.259 38.787 38.487 0.069 0.000 1.133 300 N HN 0.526 nan 8.380 nan 0.000 0.506 301 L N 2.394 123.722 121.223 0.175 0.000 2.928 301 L HA 0.118 4.456 4.340 -0.003 0.000 0.246 301 L C 1.820 178.773 176.870 0.139 0.000 1.239 301 L CA -0.140 54.800 54.840 0.166 0.000 1.035 301 L CB -0.199 41.910 42.059 0.084 0.000 1.360 301 L HN 0.514 nan 8.230 nan 0.000 0.529 302 S N -0.357 115.415 115.700 0.120 0.000 2.419 302 S HA -0.133 4.335 4.470 -0.003 0.000 0.235 302 S C 1.573 176.231 174.600 0.098 0.000 1.019 302 S CA 1.315 59.570 58.200 0.091 0.000 0.982 302 S CB -0.273 62.963 63.200 0.059 0.000 0.789 302 S HN 0.475 nan 8.310 nan 0.000 0.490 303 G N 1.299 110.172 108.800 0.122 0.000 3.651 303 G HA2 0.446 4.404 3.960 -0.003 0.000 0.279 303 G HA3 0.446 4.404 3.960 -0.003 0.000 0.279 303 G C 0.166 175.158 174.900 0.152 0.000 1.024 303 G CA 0.127 45.299 45.100 0.120 0.000 0.813 303 G HN 0.672 nan 8.290 nan 0.000 0.518 304 V N -0.707 119.304 119.914 0.163 0.000 2.924 304 V HA 0.466 4.584 4.120 -0.003 0.000 0.305 304 V C 0.094 176.286 176.094 0.163 0.000 1.073 304 V CA -0.968 61.406 62.300 0.124 0.000 1.098 304 V CB 1.158 32.993 31.823 0.020 0.000 1.000 304 V HN 0.019 nan 8.190 nan 0.000 0.484 305 I N 4.454 125.079 120.570 0.092 0.000 2.315 305 I HA 0.404 4.572 4.170 -0.003 0.000 0.291 305 I C -0.140 175.938 176.117 -0.066 0.000 1.006 305 I CA -0.471 60.892 61.300 0.104 0.000 1.265 305 I CB 0.930 38.978 38.000 0.079 0.000 1.387 305 I HN 0.520 nan 8.210 nan 0.000 0.475 306 L N 7.650 128.736 121.223 -0.229 0.000 2.322 306 L HA 0.487 4.825 4.340 -0.003 0.000 0.279 306 L C 0.265 176.993 176.870 -0.238 0.000 1.036 306 L CA -0.076 54.504 54.840 -0.433 0.000 0.807 306 L CB 0.849 42.318 42.059 -0.983 0.000 1.226 306 L HN 0.524 nan 8.230 nan 0.000 0.433 307 N N 0.640 119.217 118.700 -0.206 0.000 2.380 307 N HA 0.436 5.174 4.740 -0.003 0.000 0.290 307 N C -0.792 174.629 175.510 -0.150 0.000 1.236 307 N CA -0.490 52.480 53.050 -0.132 0.000 0.780 307 N CB 1.539 39.967 38.487 -0.098 0.000 1.438 307 N HN 0.590 nan 8.380 nan 0.000 0.491 308 E N 1.201 121.338 120.200 -0.105 0.000 2.465 308 E HA 0.145 4.494 4.350 -0.003 0.000 0.260 308 E C -2.226 174.298 176.600 -0.127 0.000 0.980 308 E CA -1.076 55.262 56.400 -0.103 0.000 0.927 308 E CB -0.870 28.791 29.700 -0.065 0.000 0.934 308 E HN 0.235 nan 8.360 nan 0.000 0.459 309 P HA 0.162 nan 4.420 nan 0.000 0.271 309 P C -0.693 176.533 177.300 -0.123 0.000 1.218 309 P CA -0.198 62.786 63.100 -0.192 0.000 0.780 309 P CB 0.981 32.535 31.700 -0.243 0.000 0.901 310 D N 1.242 121.578 120.400 -0.107 0.000 2.430 310 D HA -0.009 4.629 4.640 -0.003 0.000 0.285 310 D C 0.992 177.284 176.300 -0.013 0.000 1.210 310 D CA -0.293 53.678 54.000 -0.047 0.000 1.080 310 D CB -0.455 40.328 40.800 -0.028 0.000 1.134 310 D HN 0.399 nan 8.370 nan 0.000 0.562 311 N N -0.983 117.726 118.700 0.016 0.000 2.280 311 N HA -0.048 4.690 4.740 -0.003 0.000 0.192 311 N C -0.042 175.511 175.510 0.071 0.000 1.109 311 N CA -0.240 52.832 53.050 0.037 0.000 0.855 311 N CB -0.080 38.422 38.487 0.025 0.000 0.974 311 N HN 0.398 nan 8.380 nan 0.000 0.482 312 S N 0.526 116.285 115.700 0.098 0.000 2.589 312 S HA 0.220 4.688 4.470 -0.003 0.000 0.265 312 S C 0.326 175.017 174.600 0.152 0.000 1.342 312 S CA -0.613 57.657 58.200 0.116 0.000 1.005 312 S CB 0.926 64.203 63.200 0.129 0.000 0.909 312 S HN 0.176 nan 8.310 nan 0.000 0.555 313 S N 2.594 118.314 115.700 0.034 0.000 2.617 313 S HA 0.432 4.901 4.470 -0.003 0.000 0.269 313 S C -2.296 172.086 174.600 -0.363 0.000 1.292 313 S CA -0.868 57.278 58.200 -0.089 0.000 1.010 313 S CB -0.017 63.120 63.200 -0.104 0.000 0.944 313 S HN 0.626 nan 8.310 nan 0.000 0.536 314 P HA 0.177 nan 4.420 nan 0.000 0.267 314 P C -2.437 174.183 177.300 -1.132 0.000 1.201 314 P CA -0.824 61.250 63.100 -1.709 0.000 0.775 314 P CB -0.605 30.157 31.700 -1.563 0.000 0.854 315 P HA 0.016 nan 4.420 nan 0.000 0.268 315 P C -0.188 176.930 177.300 -0.304 0.000 1.208 315 P CA 0.150 62.894 63.100 -0.593 0.000 0.777 315 P CB 0.348 31.689 31.700 -0.599 0.000 0.875 316 S N 1.027 116.717 115.700 -0.016 0.000 2.489 316 S HA 0.418 4.886 4.470 -0.003 0.000 0.277 316 S C -0.409 174.262 174.600 0.119 0.000 1.230 316 S CA -0.376 57.846 58.200 0.037 0.000 1.053 316 S CB -0.322 62.895 63.200 0.028 0.000 0.955 316 S HN 0.174 nan 8.310 nan 0.000 0.488 317 V N 3.878 123.866 119.914 0.123 0.000 3.078 317 V HA 0.428 4.546 4.120 -0.003 0.000 0.311 317 V C 1.038 177.176 176.094 0.074 0.000 1.138 317 V CA -0.612 61.775 62.300 0.145 0.000 1.007 317 V CB 1.938 33.926 31.823 0.274 0.000 1.045 317 V HN 0.863 nan 8.190 nan 0.000 0.432 318 S N 0.993 116.722 115.700 0.048 0.000 2.387 318 S HA 0.207 4.675 4.470 -0.003 0.000 0.226 318 S C 0.599 175.206 174.600 0.012 0.000 1.026 318 S CA 1.384 59.596 58.200 0.021 0.000 0.972 318 S CB -0.078 63.130 63.200 0.013 0.000 0.814 318 S HN 1.236 nan 8.310 nan 0.000 0.477 319 G N -2.157 106.649 108.800 0.009 0.000 2.634 319 G HA2 0.553 4.511 3.960 -0.003 0.000 0.309 319 G HA3 0.553 4.511 3.960 -0.003 0.000 0.309 319 G C -0.071 174.795 174.900 -0.056 0.000 1.299 319 G CA -0.040 45.046 45.100 -0.023 0.000 0.798 319 G HN 1.160 nan 8.290 nan 0.000 0.490 320 G N -1.909 106.833 108.800 -0.097 0.000 2.582 320 G HA2 0.468 4.427 3.960 -0.003 0.000 0.222 320 G HA3 0.468 4.427 3.960 -0.003 0.000 0.222 320 G C 0.485 175.240 174.900 -0.242 0.000 1.311 320 G CA 0.285 45.287 45.100 -0.163 0.000 0.915 320 G HN 1.980 nan 8.290 nan 0.000 0.528 321 G N -0.737 107.857 108.800 -0.344 0.000 2.531 321 G HA2 0.561 4.519 3.960 -0.003 0.000 0.281 321 G HA3 0.561 4.519 3.960 -0.003 0.000 0.281 321 G C 0.246 174.845 174.900 -0.501 0.000 1.382 321 G CA 0.001 44.871 45.100 -0.382 0.000 1.045 321 G HN 0.843 nan 8.290 nan 0.000 0.533 322 N N -1.016 117.452 118.700 -0.387 0.000 2.317 322 N HA 0.270 5.008 4.740 -0.003 0.000 0.245 322 N C -0.990 174.244 175.510 -0.460 0.000 1.294 322 N CA 0.329 53.182 53.050 -0.329 0.000 0.924 322 N CB 0.423 38.840 38.487 -0.116 0.000 1.186 322 N HN 0.219 nan 8.380 nan 0.000 0.495 323 F N 0.127 120.069 119.950 -0.013 0.000 2.480 323 F HA 0.506 5.032 4.527 -0.003 0.000 0.329 323 F C 0.767 176.680 175.800 0.187 0.000 1.091 323 F CA -1.031 57.014 58.000 0.074 0.000 0.972 323 F CB 1.114 40.095 39.000 -0.031 0.000 1.150 323 F HN 0.254 nan 8.300 nan 0.000 0.467 324 I N 0.070 120.878 120.570 0.395 0.000 2.693 324 I HA 0.670 4.838 4.170 -0.003 0.000 0.303 324 I C -0.576 175.697 176.117 0.261 0.000 1.025 324 I CA -1.103 60.363 61.300 0.277 0.000 1.086 324 I CB 1.671 39.756 38.000 0.141 0.000 1.268 324 I HN 0.366 nan 8.210 nan 0.000 0.440 325 R N 3.500 124.039 120.500 0.064 0.000 2.410 325 R HA 0.471 4.810 4.340 -0.003 0.000 0.288 325 R C -0.953 175.286 176.300 -0.102 0.000 1.051 325 R CA -0.765 55.235 56.100 -0.167 0.000 1.021 325 R CB 1.495 31.621 30.300 -0.290 0.000 1.032 325 R HN 0.664 nan 8.270 nan 0.000 0.481 326 L N 2.688 123.823 121.223 -0.147 0.000 2.408 326 L HA 0.338 4.676 4.340 -0.003 0.000 0.257 326 L C 0.662 177.411 176.870 -0.202 0.000 1.053 326 L CA 0.728 55.496 54.840 -0.119 0.000 0.922 326 L CB 0.762 42.780 42.059 -0.067 0.000 1.261 326 L HN 0.942 nan 8.230 nan 0.000 0.458 327 G N 3.885 112.558 108.800 -0.212 0.000 2.565 327 G HA2 -0.393 3.566 3.960 -0.003 0.000 0.295 327 G HA3 -0.393 3.566 3.960 -0.003 0.000 0.295 327 G C 0.327 175.035 174.900 -0.321 0.000 1.165 327 G CA 0.558 45.496 45.100 -0.269 0.000 0.977 327 G HN 0.847 nan 8.290 nan 0.000 0.546 328 D N 0.772 120.965 120.400 -0.346 0.000 2.368 328 D HA 0.328 4.966 4.640 -0.003 0.000 0.218 328 D C 1.012 177.014 176.300 -0.497 0.000 1.112 328 D CA -0.110 53.643 54.000 -0.412 0.000 0.834 328 D CB -0.139 40.477 40.800 -0.307 0.000 0.953 328 D HN 0.681 nan 8.370 nan 0.000 0.505 329 I N 0.048 120.361 120.570 -0.427 0.000 2.499 329 I HA 0.315 4.483 4.170 -0.003 0.000 0.296 329 I C -0.274 175.624 176.117 -0.365 0.000 0.992 329 I CA -0.978 60.111 61.300 -0.353 0.000 1.297 329 I CB 0.968 38.826 38.000 -0.236 0.000 1.410 329 I HN -0.183 nan 8.210 nan 0.000 0.507 330 W N 5.956 127.192 121.300 -0.107 0.000 2.417 330 W HA 0.623 5.281 4.660 -0.003 0.000 0.317 330 W C -0.799 175.749 176.519 0.049 0.000 1.121 330 W CA -0.489 56.836 57.345 -0.033 0.000 1.208 330 W CB 0.965 30.358 29.460 -0.113 0.000 1.253 330 W HN 0.142 nan 8.180 nan 0.000 0.533 331 L N 2.533 123.996 121.223 0.399 0.000 2.365 331 L HA 0.377 4.715 4.340 -0.003 0.000 0.273 331 L C -0.094 176.981 176.870 0.342 0.000 1.000 331 L CA -1.086 53.941 54.840 0.312 0.000 0.819 331 L CB 1.849 44.040 42.059 0.221 0.000 1.284 331 L HN 0.378 nan 8.230 nan 0.000 0.418 332 Q N 2.960 122.906 119.800 0.243 0.000 2.274 332 Q HA 0.406 4.744 4.340 -0.003 0.000 0.256 332 Q C -0.689 175.284 176.000 -0.045 0.000 0.927 332 Q CA -0.777 54.986 55.803 -0.066 0.000 0.939 332 Q CB 1.180 29.812 28.738 -0.176 0.000 1.201 332 Q HN 0.454 nan 8.270 nan 0.000 0.426 333 M N 4.727 124.177 119.600 -0.250 0.000 2.247 333 M HA 0.372 4.850 4.480 -0.003 0.000 0.326 333 M C -2.088 173.812 176.300 -0.665 0.000 1.134 333 M CA -2.355 52.671 55.300 -0.458 0.000 1.136 333 M CB 0.042 32.419 32.600 -0.372 0.000 1.454 333 M HN 0.546 nan 8.290 nan 0.000 0.467 334 P HA 0.057 nan 4.420 nan 0.000 0.272 334 P C 0.592 177.440 177.300 -0.754 0.000 1.240 334 P CA -0.375 62.150 63.100 -0.958 0.000 0.791 334 P CB 0.838 31.698 31.700 -1.400 0.000 0.978 335 L N 1.353 122.278 121.223 -0.496 0.000 2.023 335 L HA 0.047 4.385 4.340 -0.003 0.000 0.205 335 L C 0.697 177.351 176.870 -0.359 0.000 1.073 335 L CA 1.956 56.581 54.840 -0.358 0.000 0.745 335 L CB -0.515 41.405 42.059 -0.231 0.000 0.900 335 L HN 0.205 nan 8.230 nan 0.000 0.435 336 L N -1.959 119.050 121.223 -0.357 0.000 2.319 336 L HA 0.241 4.579 4.340 -0.003 0.000 0.267 336 L C -1.069 175.562 176.870 -0.399 0.000 1.011 336 L CA -0.492 54.187 54.840 -0.268 0.000 0.818 336 L CB 0.490 42.480 42.059 -0.116 0.000 1.316 336 L HN 0.167 nan 8.230 nan 0.000 0.432 337 W N 1.662 122.895 121.300 -0.112 0.000 1.912 337 W HA 0.337 4.996 4.660 -0.002 0.000 0.399 337 W C 0.898 177.385 176.519 -0.054 0.000 0.800 337 W CA -0.396 56.885 57.345 -0.107 0.000 1.593 337 W CB 0.386 29.788 29.460 -0.097 0.000 1.769 337 W HN 0.523 nan 8.180 nan 0.000 0.281 338 T N -3.030 111.578 114.554 0.088 0.000 2.788 338 T HA 0.096 4.444 4.350 -0.003 0.000 0.280 338 T C 1.247 176.017 174.700 0.116 0.000 0.984 338 T CA -0.433 61.714 62.100 0.078 0.000 0.972 338 T CB 1.457 70.341 68.868 0.026 0.000 1.039 338 T HN 0.489 nan 8.240 nan 0.000 0.530 339 E N 0.419 120.672 120.200 0.088 0.000 2.086 339 E HA -0.319 4.029 4.350 -0.003 0.000 0.200 339 E C 2.060 178.721 176.600 0.102 0.000 1.012 339 E CA 1.568 58.021 56.400 0.088 0.000 0.812 339 E CB -0.172 29.566 29.700 0.063 0.000 0.743 339 E HN 0.737 nan 8.360 nan 0.000 0.453 340 N N -0.225 118.529 118.700 0.089 0.000 2.120 340 N HA -0.166 4.572 4.740 -0.003 0.000 0.188 340 N C 1.771 177.368 175.510 0.144 0.000 1.024 340 N CA 1.306 54.414 53.050 0.098 0.000 0.852 340 N CB -0.063 38.465 38.487 0.070 0.000 1.003 340 N HN 0.209 nan 8.380 nan 0.000 0.424 341 A N 0.778 123.681 122.820 0.138 0.000 1.897 341 A HA 0.003 4.321 4.320 -0.003 0.000 0.215 341 A C 2.497 180.306 177.584 0.375 0.000 1.181 341 A CA 0.839 52.987 52.037 0.186 0.000 0.620 341 A CB -0.713 18.222 19.000 -0.108 0.000 0.821 341 A HN 0.169 nan 8.150 nan 0.000 0.443 342 V N 0.577 120.706 119.914 0.359 0.000 2.282 342 V HA -0.314 3.804 4.120 -0.003 0.000 0.249 342 V C 2.327 178.573 176.094 0.253 0.000 1.057 342 V CA 2.675 65.182 62.300 0.345 0.000 1.032 342 V CB -0.762 31.186 31.823 0.209 0.000 0.645 342 V HN 0.739 nan 8.190 nan 0.000 0.447 343 D N -0.098 120.418 120.400 0.194 0.000 2.097 343 D HA -0.091 4.548 4.640 -0.003 0.000 0.197 343 D C 2.171 178.580 176.300 0.182 0.000 0.984 343 D CA 1.421 55.508 54.000 0.145 0.000 0.826 343 D CB -0.419 40.452 40.800 0.119 0.000 0.973 343 D HN 0.363 nan 8.370 nan 0.000 0.460 344 G N -1.507 107.431 108.800 0.230 0.000 2.443 344 G HA2 -0.185 3.773 3.960 -0.003 0.000 0.219 344 G HA3 -0.185 3.773 3.960 -0.003 0.000 0.219 344 G C 1.194 176.241 174.900 0.245 0.000 1.131 344 G CA 0.344 45.570 45.100 0.211 0.000 0.775 344 G HN 0.251 nan 8.290 nan 0.000 0.547 345 F N -0.452 119.621 119.950 0.205 0.000 2.437 345 F HA 0.379 4.904 4.527 -0.003 0.000 0.288 345 F C 2.270 178.191 175.800 0.202 0.000 1.085 345 F CA 0.489 58.600 58.000 0.185 0.000 1.430 345 F CB 0.221 39.324 39.000 0.172 0.000 1.120 345 F HN -0.008 nan 8.300 nan 0.000 0.556 346 L N -1.607 119.809 121.223 0.321 0.000 2.577 346 L HA 0.161 4.499 4.340 -0.003 0.000 0.225 346 L C 0.559 177.442 176.870 0.021 0.000 1.053 346 L CA 0.114 55.051 54.840 0.162 0.000 0.866 346 L CB -0.175 41.932 42.059 0.081 0.000 1.132 346 L HN -0.139 nan 8.230 nan 0.000 0.486 347 N N 1.110 119.817 118.700 0.012 0.000 2.895 347 N HA -0.027 4.711 4.740 -0.003 0.000 0.277 347 N C 1.204 176.670 175.510 -0.075 0.000 1.185 347 N CA 0.020 52.999 53.050 -0.118 0.000 1.106 347 N CB 0.168 38.599 38.487 -0.093 0.000 1.422 347 N HN 0.370 nan 8.380 nan 0.000 0.521 348 H N 0.453 119.545 119.070 0.037 0.000 2.491 348 H HA 0.032 4.586 4.556 -0.003 0.000 0.290 348 H C 0.555 175.857 175.328 -0.044 0.000 1.050 348 H CA 0.600 56.652 56.048 0.007 0.000 1.309 348 H CB 0.376 30.143 29.762 0.008 0.000 1.392 348 H HN 0.474 nan 8.280 nan 0.000 0.554 349 E N 0.856 120.996 120.200 -0.100 0.000 2.110 349 E HA -0.123 4.225 4.350 -0.003 0.000 0.193 349 E C 1.158 177.866 176.600 0.180 0.000 0.988 349 E CA 0.845 57.233 56.400 -0.020 0.000 0.804 349 E CB -0.037 29.659 29.700 -0.007 0.000 0.745 349 E HN 0.778 nan 8.360 nan 0.000 0.458 350 H N -0.896 118.158 119.070 -0.027 0.000 2.549 350 H HA 0.212 4.766 4.556 -0.003 0.000 0.279 350 H C 0.199 175.530 175.328 0.006 0.000 1.018 350 H CA -0.281 55.768 56.048 0.001 0.000 1.175 350 H CB 0.539 30.312 29.762 0.018 0.000 1.485 350 H HN -0.018 nan 8.280 nan 0.000 0.543 351 N N 0.896 119.668 118.700 0.120 0.000 2.571 351 N HA 0.018 4.757 4.740 -0.003 0.000 0.298 351 N C -0.674 174.864 175.510 0.047 0.000 1.671 351 N CA -0.069 53.026 53.050 0.076 0.000 0.900 351 N CB 0.522 39.059 38.487 0.084 0.000 1.365 351 N HN 0.315 nan 8.380 nan 0.000 0.493 352 N N 0.492 119.203 118.700 0.017 0.000 2.716 352 N HA -0.250 4.488 4.740 -0.003 0.000 0.250 352 N C 0.821 176.328 175.510 -0.004 0.000 1.033 352 N CA 0.841 53.885 53.050 -0.012 0.000 0.727 352 N CB -0.970 37.505 38.487 -0.020 0.000 0.950 352 N HN 0.576 nan 8.380 nan 0.000 0.541 353 G N -1.270 107.537 108.800 0.012 0.000 2.143 353 G HA2 -0.366 3.592 3.960 -0.003 0.000 0.249 353 G HA3 -0.366 3.592 3.960 -0.003 0.000 0.249 353 G C -0.129 174.794 174.900 0.038 0.000 0.981 353 G CA 0.623 45.725 45.100 0.004 0.000 0.665 353 G HN 0.483 nan 8.290 nan 0.000 0.528 354 K N 0.624 121.073 120.400 0.080 0.000 2.206 354 K HA 0.683 5.001 4.320 -0.003 0.000 0.264 354 K C 0.073 176.755 176.600 0.135 0.000 0.967 354 K CA 0.166 56.498 56.287 0.075 0.000 0.844 354 K CB 1.887 34.411 32.500 0.040 0.000 1.099 354 K HN 0.715 nan 8.250 nan 0.000 0.441 355 S N 1.095 116.881 115.700 0.143 0.000 2.611 355 S HA 0.196 4.664 4.470 -0.003 0.000 0.270 355 S C 0.402 175.129 174.600 0.212 0.000 1.131 355 S CA -0.963 57.366 58.200 0.216 0.000 0.826 355 S CB 0.412 63.818 63.200 0.343 0.000 1.095 355 S HN 0.661 nan 8.310 nan 0.000 0.461 356 I N 1.092 121.834 120.570 0.288 0.000 2.286 356 I HA -0.116 4.053 4.170 -0.003 0.000 0.248 356 I C 1.898 178.118 176.117 0.171 0.000 1.115 356 I CA 1.246 62.701 61.300 0.258 0.000 1.392 356 I CB -0.322 37.872 38.000 0.324 0.000 1.065 356 I HN 0.716 nan 8.210 nan 0.000 0.418 357 L N -0.203 121.122 121.223 0.171 0.000 2.012 357 L HA -0.280 4.058 4.340 -0.003 0.000 0.210 357 L C 2.610 179.519 176.870 0.066 0.000 1.073 357 L CA 1.290 56.192 54.840 0.103 0.000 0.748 357 L CB -0.676 41.484 42.059 0.168 0.000 0.891 357 L HN 0.289 nan 8.230 nan 0.000 0.431 358 M N -0.956 118.680 119.600 0.060 0.000 2.254 358 M HA -0.106 4.372 4.480 -0.003 0.000 0.265 358 M C 2.360 178.686 176.300 0.043 0.000 1.066 358 M CA 1.584 56.877 55.300 -0.012 0.000 1.123 358 M CB -1.292 31.252 32.600 -0.093 0.000 1.388 358 M HN 0.250 nan 8.290 nan 0.000 0.425 359 T N 1.447 116.046 114.554 0.075 0.000 2.643 359 T HA -0.094 4.255 4.350 -0.003 0.000 0.264 359 T C 1.964 176.715 174.700 0.085 0.000 1.045 359 T CA 1.374 63.525 62.100 0.085 0.000 1.155 359 T CB -0.314 68.614 68.868 0.100 0.000 0.863 359 T HN 0.294 nan 8.240 nan 0.000 0.420 360 I N 1.173 121.797 120.570 0.090 0.000 2.264 360 I HA -0.186 3.983 4.170 -0.003 0.000 0.248 360 I C 2.342 178.537 176.117 0.129 0.000 1.111 360 I CA 1.404 62.761 61.300 0.095 0.000 1.382 360 I CB -0.334 37.718 38.000 0.085 0.000 1.060 360 I HN 0.191 nan 8.210 nan 0.000 0.418 361 D N 0.078 120.556 120.400 0.130 0.000 2.348 361 D HA -0.117 4.521 4.640 -0.003 0.000 0.216 361 D C 2.185 178.553 176.300 0.112 0.000 0.970 361 D CA 1.030 55.133 54.000 0.170 0.000 0.889 361 D CB 0.119 41.017 40.800 0.163 0.000 0.912 361 D HN 0.308 nan 8.370 nan 0.000 0.524 362 S N -0.719 115.034 115.700 0.088 0.000 2.489 362 S HA -0.001 4.467 4.470 -0.003 0.000 0.228 362 S C 1.061 175.714 174.600 0.087 0.000 0.995 362 S CA -0.225 58.020 58.200 0.075 0.000 0.934 362 S CB -0.499 62.743 63.200 0.071 0.000 0.771 362 S HN 0.195 nan 8.310 nan 0.000 0.522 363 L N 2.965 124.252 121.223 0.107 0.000 2.506 363 L HA 0.192 4.530 4.340 -0.003 0.000 0.281 363 L C -1.889 175.055 176.870 0.124 0.000 1.228 363 L CA -1.636 53.290 54.840 0.142 0.000 0.850 363 L CB -0.054 42.105 42.059 0.166 0.000 1.110 363 L HN 0.148 nan 8.230 nan 0.000 0.496 364 P HA -0.019 nan 4.420 nan 0.000 0.270 364 P C -0.348 176.934 177.300 -0.031 0.000 1.223 364 P CA -0.232 62.871 63.100 0.005 0.000 0.785 364 P CB 0.630 32.278 31.700 -0.087 0.000 0.923 365 D N 0.934 121.295 120.400 -0.064 0.000 2.264 365 D HA -0.138 4.500 4.640 -0.003 0.000 0.208 365 D C 1.737 177.976 176.300 -0.101 0.000 0.966 365 D CA 1.240 55.201 54.000 -0.065 0.000 0.864 365 D CB -0.162 40.601 40.800 -0.062 0.000 0.933 365 D HN 0.577 nan 8.370 nan 0.000 0.499 366 K N -0.198 120.080 120.400 -0.204 0.000 2.362 366 K HA -0.139 4.179 4.320 -0.003 0.000 0.200 366 K C 0.775 177.243 176.600 -0.220 0.000 1.046 366 K CA 0.950 57.077 56.287 -0.266 0.000 0.952 366 K CB -0.331 31.928 32.500 -0.400 0.000 0.753 366 K HN 0.254 nan 8.250 nan 0.000 0.466 367 Y N 2.058 122.345 120.300 -0.022 0.000 2.756 367 Y HA 0.110 4.658 4.550 -0.003 0.000 0.300 367 Y C 1.827 177.711 175.900 -0.026 0.000 1.113 367 Y CA -0.565 57.521 58.100 -0.023 0.000 1.291 367 Y CB 0.523 38.972 38.460 -0.019 0.000 1.175 367 Y HN 0.235 nan 8.280 nan 0.000 0.534 368 S N -0.486 115.256 115.700 0.071 0.000 2.400 368 S HA -0.280 4.189 4.470 -0.003 0.000 0.232 368 S C 1.980 176.588 174.600 0.013 0.000 1.025 368 S CA 1.309 59.511 58.200 0.004 0.000 0.993 368 S CB -0.094 63.075 63.200 -0.052 0.000 0.808 368 S HN 0.527 nan 8.310 nan 0.000 0.478 369 Q N 1.283 121.104 119.800 0.036 0.000 2.050 369 Q HA -0.161 4.177 4.340 -0.003 0.000 0.202 369 Q C 1.879 177.899 176.000 0.033 0.000 0.980 369 Q CA 2.064 57.884 55.803 0.028 0.000 0.840 369 Q CB -0.352 28.403 28.738 0.029 0.000 0.898 369 Q HN 0.672 nan 8.270 nan 0.000 0.424 370 E N 0.576 120.801 120.200 0.042 0.000 2.110 370 E HA -0.130 4.219 4.350 -0.003 0.000 0.193 370 E C 2.038 178.658 176.600 0.034 0.000 0.988 370 E CA 1.183 57.585 56.400 0.004 0.000 0.804 370 E CB -0.039 29.624 29.700 -0.063 0.000 0.745 370 E HN 0.300 nan 8.360 nan 0.000 0.458 371 K N 0.108 120.555 120.400 0.080 0.000 2.009 371 K HA -0.120 4.198 4.320 -0.003 0.000 0.210 371 K C 2.135 178.863 176.600 0.214 0.000 1.049 371 K CA 1.459 57.834 56.287 0.148 0.000 0.929 371 K CB -0.335 32.257 32.500 0.154 0.000 0.714 371 K HN -0.002 nan 8.250 nan 0.000 0.440 372 V N 1.525 121.533 119.914 0.158 0.000 2.295 372 V HA -0.294 3.825 4.120 -0.003 0.000 0.246 372 V C 2.501 178.663 176.094 0.114 0.000 1.049 372 V CA 1.802 64.211 62.300 0.180 0.000 1.024 372 V CB -0.502 31.366 31.823 0.076 0.000 0.648 372 V HN 0.397 nan 8.190 nan 0.000 0.447 373 Q N -0.375 119.461 119.800 0.061 0.000 2.077 373 Q HA -0.267 4.071 4.340 -0.003 0.000 0.206 373 Q C 2.283 178.296 176.000 0.022 0.000 0.989 373 Q CA 2.304 58.124 55.803 0.027 0.000 0.853 373 Q CB -0.345 28.395 28.738 0.004 0.000 0.907 373 Q HN 0.660 nan 8.270 nan 0.000 0.418 374 A N 0.176 123.014 122.820 0.029 0.000 1.902 374 A HA -0.193 4.125 4.320 -0.003 0.000 0.217 374 A C 2.021 179.615 177.584 0.016 0.000 1.181 374 A CA 1.516 53.566 52.037 0.023 0.000 0.623 374 A CB -0.466 18.550 19.000 0.028 0.000 0.818 374 A HN 0.395 nan 8.150 nan 0.000 0.443 375 M N -0.384 119.234 119.600 0.031 0.000 2.132 375 M HA -0.126 4.352 4.480 -0.003 0.000 0.263 375 M C 1.929 178.182 176.300 -0.078 0.000 1.065 375 M CA 1.444 56.721 55.300 -0.040 0.000 1.122 375 M CB -1.376 31.190 32.600 -0.055 0.000 1.365 375 M HN 0.543 nan 8.290 nan 0.000 0.411 376 E N 0.210 120.393 120.200 -0.027 0.000 2.085 376 E HA -0.223 4.125 4.350 -0.003 0.000 0.194 376 E C 1.530 178.077 176.600 -0.089 0.000 0.994 376 E CA 1.323 57.689 56.400 -0.057 0.000 0.801 376 E CB -0.104 29.588 29.700 -0.012 0.000 0.743 376 E HN 0.465 nan 8.360 nan 0.000 0.453 377 D N 0.456 120.826 120.400 -0.051 0.000 2.178 377 D HA -0.129 4.509 4.640 -0.003 0.000 0.202 377 D C 1.890 178.154 176.300 -0.060 0.000 0.974 377 D CA 0.514 54.492 54.000 -0.037 0.000 0.841 377 D CB -0.118 40.685 40.800 0.005 0.000 0.953 377 D HN 0.076 nan 8.370 nan 0.000 0.478 378 L N 0.202 121.375 121.223 -0.084 0.000 2.072 378 L HA -0.080 4.258 4.340 -0.003 0.000 0.205 378 L C 2.099 178.791 176.870 -0.297 0.000 1.079 378 L CA 1.146 55.920 54.840 -0.110 0.000 0.752 378 L CB -0.299 41.709 42.059 -0.086 0.000 0.906 378 L HN -0.146 nan 8.230 nan 0.000 0.436 379 V N -0.112 119.550 119.914 -0.420 0.000 2.407 379 V HA -0.292 3.826 4.120 -0.003 0.000 0.248 379 V C 2.583 178.309 176.094 -0.614 0.000 1.055 379 V CA 1.959 63.796 62.300 -0.771 0.000 1.049 379 V CB -0.659 30.725 31.823 -0.731 0.000 0.662 379 V HN 0.461 nan 8.190 nan 0.000 0.455 380 K N -0.102 120.105 120.400 -0.323 0.000 2.063 380 K HA -0.198 4.120 4.320 -0.003 0.000 0.208 380 K C 2.508 179.025 176.600 -0.139 0.000 1.048 380 K CA 1.763 57.937 56.287 -0.189 0.000 0.928 380 K CB -0.400 32.042 32.500 -0.097 0.000 0.713 380 K HN 0.418 nan 8.250 nan 0.000 0.442 381 S N 0.928 116.568 115.700 -0.100 0.000 2.368 381 S HA -0.077 4.391 4.470 -0.003 0.000 0.224 381 S C 1.934 176.554 174.600 0.033 0.000 1.029 381 S CA 0.882 59.117 58.200 0.057 0.000 0.988 381 S CB -0.164 63.150 63.200 0.189 0.000 0.838 381 S HN 0.180 nan 8.310 nan 0.000 0.462 382 L N 1.138 122.156 121.223 -0.342 0.000 1.994 382 L HA -0.056 4.282 4.340 -0.003 0.000 0.208 382 L C 2.897 179.600 176.870 -0.278 0.000 1.071 382 L CA 1.834 56.283 54.840 -0.651 0.000 0.745 382 L CB -0.576 40.961 42.059 -0.870 0.000 0.892 382 L HN 0.341 nan 8.230 nan 0.000 0.431 383 R N 0.787 121.138 120.500 -0.247 0.000 2.091 383 R HA -0.125 4.213 4.340 -0.003 0.000 0.238 383 R C 1.310 177.622 176.300 0.020 0.000 1.136 383 R CA 1.305 57.407 56.100 0.003 0.000 0.959 383 R CB -0.618 29.669 30.300 -0.023 0.000 0.856 383 R HN 0.353 nan 8.270 nan 0.000 0.437 384 G N -0.244 108.551 108.800 -0.008 0.000 2.819 384 G HA2 0.292 4.250 3.960 -0.003 0.000 0.272 384 G HA3 0.292 4.250 3.960 -0.003 0.000 0.272 384 G C 0.273 175.216 174.900 0.071 0.000 0.701 384 G CA 0.300 45.419 45.100 0.031 0.000 2.095 384 G HN 0.656 nan 8.290 nan 0.000 0.577 385 G N 0.588 109.428 108.800 0.068 0.000 2.288 385 G HA2 -0.209 3.749 3.960 -0.003 0.000 0.205 385 G HA3 -0.209 3.749 3.960 -0.003 0.000 0.205 385 G C 0.525 175.485 174.900 0.101 0.000 1.071 385 G CA -0.442 44.708 45.100 0.083 0.000 0.788 385 G HN 0.768 nan 8.290 nan 0.000 0.491 386 R N -1.102 119.443 120.500 0.074 0.000 2.944 386 R HA 0.400 4.738 4.340 -0.003 0.000 0.279 386 R C 1.225 177.563 176.300 0.063 0.000 1.048 386 R CA -0.162 55.975 56.100 0.062 0.000 1.196 386 R CB 0.236 30.595 30.300 0.098 0.000 1.134 386 R HN 0.200 nan 8.270 nan 0.000 0.525 387 L N -0.820 120.434 121.223 0.052 0.000 2.546 387 L HA 0.253 4.591 4.340 -0.003 0.000 0.185 387 L C 0.808 177.696 176.870 0.030 0.000 1.247 387 L CA 1.668 56.537 54.840 0.047 0.000 0.848 387 L CB -0.145 41.945 42.059 0.052 0.000 1.133 387 L HN 0.805 nan 8.230 nan 0.000 0.504 388 T N -2.545 112.021 114.554 0.021 0.000 2.661 388 T HA 0.041 4.389 4.350 -0.003 0.000 0.274 388 T C 0.133 174.840 174.700 0.012 0.000 2.041 388 T CA 0.127 62.235 62.100 0.013 0.000 0.941 388 T CB 0.117 68.996 68.868 0.018 0.000 2.190 388 T HN 0.361 nan 8.240 nan 0.000 0.426 389 E N 0.028 120.242 120.200 0.022 0.000 2.216 389 E HA 0.201 4.549 4.350 -0.003 0.000 0.192 389 E C 1.850 178.472 176.600 0.036 0.000 0.973 389 E CA 0.970 57.399 56.400 0.049 0.000 0.851 389 E CB -0.196 29.550 29.700 0.076 0.000 0.804 389 E HN 0.541 nan 8.360 nan 0.000 0.477 390 A N 0.873 123.703 122.820 0.017 0.000 1.930 390 A HA -0.151 4.167 4.320 -0.003 0.000 0.217 390 A C 2.394 179.983 177.584 0.009 0.000 1.175 390 A CA 1.321 53.359 52.037 0.002 0.000 0.627 390 A CB -0.981 18.021 19.000 0.003 0.000 0.815 390 A HN 0.519 nan 8.150 nan 0.000 0.443 391 C N -1.491 117.822 119.300 0.021 0.000 2.507 391 C HA 0.288 4.746 4.460 -0.003 0.000 0.280 391 C C 2.345 177.352 174.990 0.028 0.000 1.345 391 C CA 0.671 59.708 59.018 0.032 0.000 1.736 391 C CB -0.966 26.802 27.740 0.046 0.000 2.060 391 C HN 0.612 nan 8.230 nan 0.000 0.498 392 I N 0.530 121.112 120.570 0.020 0.000 2.761 392 I HA -0.039 4.130 4.170 -0.003 0.000 0.261 392 I C 2.676 178.804 176.117 0.020 0.000 1.198 392 I CA 0.681 61.988 61.300 0.012 0.000 1.482 392 I CB -0.548 37.448 38.000 -0.007 0.000 1.100 392 I HN 0.344 nan 8.210 nan 0.000 0.445 393 R N 1.467 121.982 120.500 0.025 0.000 2.096 393 R HA -0.175 4.163 4.340 -0.003 0.000 0.240 393 R C -0.677 175.626 176.300 0.005 0.000 1.139 393 R CA 2.080 58.191 56.100 0.018 0.000 0.952 393 R CB -1.251 29.011 30.300 -0.064 0.000 0.854 393 R HN 0.266 nan 8.270 nan 0.000 0.436 394 P HA -0.103 nan 4.420 nan 0.000 0.222 394 P C 0.717 177.962 177.300 -0.091 0.000 1.147 394 P CA 1.234 64.301 63.100 -0.055 0.000 0.790 394 P CB 0.125 31.795 31.700 -0.050 0.000 0.780 395 V N -5.451 114.432 119.914 -0.051 0.000 3.380 395 V HA 0.253 4.371 4.120 -0.003 0.000 0.307 395 V C 1.577 177.637 176.094 -0.056 0.000 1.434 395 V CA -0.044 62.209 62.300 -0.077 0.000 1.075 395 V CB -0.600 31.185 31.823 -0.064 0.000 0.954 395 V HN -0.078 nan 8.190 nan 0.000 0.444 396 E N 1.463 121.661 120.200 -0.004 0.000 2.097 396 E HA -0.218 4.130 4.350 -0.003 0.000 0.196 396 E C 2.204 178.697 176.600 -0.179 0.000 1.000 396 E CA 1.875 58.268 56.400 -0.011 0.000 0.804 396 E CB -0.130 29.679 29.700 0.181 0.000 0.740 396 E HN 0.673 nan 8.360 nan 0.000 0.454 397 S N 0.123 115.751 115.700 -0.120 0.000 2.345 397 S HA -0.146 4.323 4.470 -0.003 0.000 0.220 397 S C 2.170 176.673 174.600 -0.162 0.000 1.031 397 S CA 1.470 59.527 58.200 -0.239 0.000 0.996 397 S CB -0.154 63.103 63.200 0.094 0.000 0.882 397 S HN 0.140 nan 8.310 nan 0.000 0.445 398 S N 1.686 117.315 115.700 -0.119 0.000 2.374 398 S HA -0.075 4.393 4.470 -0.003 0.000 0.227 398 S C 1.795 176.374 174.600 -0.035 0.000 1.037 398 S CA 1.533 59.612 58.200 -0.202 0.000 1.024 398 S CB -0.606 62.261 63.200 -0.555 0.000 0.861 398 S HN 0.432 nan 8.310 nan 0.000 0.456 399 L N 1.252 122.436 121.223 -0.065 0.000 1.994 399 L HA -0.114 4.225 4.340 -0.003 0.000 0.208 399 L C 2.585 179.440 176.870 -0.025 0.000 1.071 399 L CA 1.398 56.235 54.840 -0.005 0.000 0.745 399 L CB -0.838 41.237 42.059 0.028 0.000 0.892 399 L HN 0.355 nan 8.230 nan 0.000 0.431 400 V N -3.260 116.563 119.914 -0.153 0.000 2.626 400 V HA -0.163 3.955 4.120 -0.003 0.000 0.252 400 V C 2.559 178.603 176.094 -0.083 0.000 1.067 400 V CA 1.596 63.781 62.300 -0.192 0.000 1.081 400 V CB -0.861 30.706 31.823 -0.428 0.000 0.686 400 V HN 0.562 nan 8.190 nan 0.000 0.468 401 S N -0.159 115.515 115.700 -0.043 0.000 2.442 401 S HA -0.078 4.390 4.470 -0.003 0.000 0.236 401 S C 1.645 176.340 174.600 0.158 0.000 1.007 401 S CA 1.661 59.887 58.200 0.043 0.000 0.965 401 S CB -0.108 63.159 63.200 0.113 0.000 0.773 401 S HN 0.509 nan 8.310 nan 0.000 0.504 402 V N 0.375 120.394 119.914 0.174 0.000 2.911 402 V HA 0.313 4.431 4.120 -0.003 0.000 0.237 402 V C 2.090 178.295 176.094 0.185 0.000 1.156 402 V CA 0.483 62.879 62.300 0.159 0.000 1.180 402 V CB -0.276 31.584 31.823 0.063 0.000 0.932 402 V HN 0.380 nan 8.190 nan 0.000 0.483 403 L N 0.673 121.928 121.223 0.054 0.000 2.418 403 L HA 0.173 4.512 4.340 -0.003 0.000 0.218 403 L C 2.121 179.062 176.870 0.118 0.000 1.125 403 L CA 0.993 55.850 54.840 0.029 0.000 0.835 403 L CB -0.379 41.671 42.059 -0.015 0.000 0.953 403 L HN 0.325 nan 8.230 nan 0.000 0.454 404 A N -1.373 121.458 122.820 0.019 0.000 2.302 404 A HA 0.120 4.438 4.320 -0.003 0.000 0.219 404 A C -0.089 177.283 177.584 -0.354 0.000 1.243 404 A CA 0.079 52.013 52.037 -0.173 0.000 0.856 404 A CB -0.696 18.130 19.000 -0.289 0.000 0.893 404 A HN 0.362 nan 8.150 nan 0.000 0.491 405 H N -1.312 117.824 119.070 0.109 0.000 2.797 405 H HA 0.483 5.037 4.556 -0.003 0.000 0.372 405 H C -2.818 172.560 175.328 0.083 0.000 1.168 405 H CA -2.100 53.996 56.048 0.080 0.000 1.163 405 H CB 0.917 30.717 29.762 0.063 0.000 1.778 405 H HN -0.036 nan 8.280 nan 0.000 0.551 406 P HA -0.011 nan 4.420 nan 0.000 0.269 406 P C -1.900 175.277 177.300 -0.205 0.000 1.209 406 P CA -0.983 62.092 63.100 -0.043 0.000 0.776 406 P CB 0.470 32.153 31.700 -0.028 0.000 0.876 407 P HA 0.046 nan 4.420 nan 0.000 0.257 407 P C 0.289 177.377 177.300 -0.354 0.000 1.281 407 P CA 0.551 63.423 63.100 -0.380 0.000 0.826 407 P CB -0.013 31.474 31.700 -0.354 0.000 1.237 408 Y N 0.615 120.938 120.300 0.038 0.000 2.509 408 Y HA -0.100 4.448 4.550 -0.003 0.000 0.293 408 Y C 2.603 178.519 175.900 0.026 0.000 1.133 408 Y CA 1.291 59.412 58.100 0.034 0.000 1.283 408 Y CB -1.320 37.168 38.460 0.046 0.000 1.001 408 Y HN 0.044 nan 8.280 nan 0.000 0.555 409 T N -1.257 113.358 114.554 0.102 0.000 2.915 409 T HA -0.254 4.095 4.350 -0.003 0.000 0.269 409 T C 1.554 176.274 174.700 0.033 0.000 1.071 409 T CA 1.352 63.485 62.100 0.054 0.000 1.132 409 T CB -0.384 68.496 68.868 0.019 0.000 0.878 409 T HN 0.515 nan 8.240 nan 0.000 0.479 410 Q N 1.797 121.605 119.800 0.015 0.000 2.432 410 Q HA 0.235 4.573 4.340 -0.003 0.000 0.205 410 Q C 1.263 177.277 176.000 0.024 0.000 0.945 410 Q CA 0.422 56.229 55.803 0.007 0.000 0.924 410 Q CB -0.184 28.545 28.738 -0.015 0.000 1.016 410 Q HN 0.400 nan 8.270 nan 0.000 0.503 411 S N -0.316 115.414 115.700 0.050 0.000 2.448 411 S HA 0.555 5.023 4.470 -0.003 0.000 0.279 411 S C 1.008 175.641 174.600 0.056 0.000 1.195 411 S CA 0.010 58.245 58.200 0.059 0.000 1.051 411 S CB 0.902 64.157 63.200 0.091 0.000 0.948 411 S HN 0.460 nan 8.310 nan 0.000 0.493 412 A N 5.592 128.437 122.820 0.041 0.000 1.940 412 A HA -0.045 4.273 4.320 -0.003 0.000 0.219 412 A C 1.977 179.592 177.584 0.052 0.000 1.176 412 A CA 1.537 53.598 52.037 0.039 0.000 0.631 412 A CB -0.757 18.260 19.000 0.028 0.000 0.814 412 A HN 0.902 nan 8.150 nan 0.000 0.446 413 L N -0.492 120.761 121.223 0.050 0.000 2.005 413 L HA -0.134 4.204 4.340 -0.003 0.000 0.207 413 L C 2.382 179.306 176.870 0.089 0.000 1.072 413 L CA 1.688 56.560 54.840 0.054 0.000 0.744 413 L CB -0.252 41.821 42.059 0.023 0.000 0.895 413 L HN 0.440 nan 8.230 nan 0.000 0.433 414 I N -0.842 119.781 120.570 0.088 0.000 2.179 414 I HA -0.279 3.890 4.170 -0.003 0.000 0.242 414 I C 2.518 178.742 176.117 0.179 0.000 1.088 414 I CA 1.306 62.686 61.300 0.133 0.000 1.357 414 I CB -0.454 37.620 38.000 0.123 0.000 1.051 414 I HN 0.193 nan 8.210 nan 0.000 0.409 415 S N 0.168 115.939 115.700 0.120 0.000 2.374 415 S HA -0.272 4.196 4.470 -0.003 0.000 0.227 415 S C 1.963 176.608 174.600 0.076 0.000 1.037 415 S CA 1.706 59.957 58.200 0.084 0.000 1.024 415 S CB -0.399 62.833 63.200 0.053 0.000 0.861 415 S HN 0.513 nan 8.310 nan 0.000 0.456 416 E N -0.333 119.922 120.200 0.092 0.000 2.047 416 E HA -0.201 4.147 4.350 -0.003 0.000 0.191 416 E C 1.901 178.563 176.600 0.104 0.000 0.987 416 E CA 1.099 57.545 56.400 0.078 0.000 0.799 416 E CB -0.218 29.529 29.700 0.078 0.000 0.752 416 E HN 0.684 nan 8.360 nan 0.000 0.449 417 W N 1.430 122.713 121.300 -0.029 0.000 2.358 417 W HA -0.146 4.513 4.660 -0.002 0.000 0.303 417 W C 2.037 178.527 176.519 -0.047 0.000 1.208 417 W CA 1.174 58.493 57.345 -0.042 0.000 1.274 417 W CB -0.344 29.084 29.460 -0.053 0.000 1.138 417 W HN 0.082 nan 8.180 nan 0.000 0.515 418 L N 0.465 121.733 121.223 0.075 0.000 2.201 418 L HA -0.032 4.306 4.340 -0.003 0.000 0.212 418 L C 2.368 179.132 176.870 -0.177 0.000 1.105 418 L CA 1.629 56.410 54.840 -0.098 0.000 0.775 418 L CB -1.484 40.609 42.059 0.057 0.000 0.913 418 L HN 0.223 nan 8.230 nan 0.000 0.440 419 G N 1.274 110.005 108.800 -0.114 0.000 2.672 419 G HA2 -0.297 3.661 3.960 -0.003 0.000 0.218 419 G HA3 -0.297 3.661 3.960 -0.003 0.000 0.218 419 G C -0.772 174.040 174.900 -0.146 0.000 1.238 419 G CA 1.075 46.111 45.100 -0.107 0.000 0.791 419 G HN 0.338 nan 8.290 nan 0.000 0.606 420 P HA -0.007 nan 4.420 nan 0.000 0.218 420 P C 2.078 179.237 177.300 -0.235 0.000 1.149 420 P CA 0.832 63.812 63.100 -0.199 0.000 0.817 420 P CB -0.095 31.473 31.700 -0.221 0.000 0.785 421 V N -0.155 119.546 119.914 -0.354 0.000 2.358 421 V HA -0.251 3.867 4.120 -0.003 0.000 0.246 421 V C 2.678 178.689 176.094 -0.138 0.000 1.047 421 V CA 1.881 63.978 62.300 -0.338 0.000 1.035 421 V CB -1.225 30.241 31.823 -0.594 0.000 0.658 421 V HN 0.181 nan 8.190 nan 0.000 0.452 422 Q N -0.072 119.663 119.800 -0.110 0.000 2.119 422 Q HA -0.216 4.122 4.340 -0.003 0.000 0.201 422 Q C 2.230 178.287 176.000 0.095 0.000 0.972 422 Q CA 1.707 57.523 55.803 0.023 0.000 0.847 422 Q CB -0.041 28.676 28.738 -0.034 0.000 0.903 422 Q HN 0.715 nan 8.270 nan 0.000 0.433 423 E N 0.095 120.290 120.200 -0.008 0.000 2.077 423 E HA -0.201 4.147 4.350 -0.003 0.000 0.193 423 E C 2.194 178.766 176.600 -0.048 0.000 0.989 423 E CA 0.909 57.308 56.400 -0.000 0.000 0.800 423 E CB -0.022 29.648 29.700 -0.050 0.000 0.746 423 E HN 0.285 nan 8.360 nan 0.000 0.452 424 R N -0.063 120.365 120.500 -0.119 0.000 2.081 424 R HA -0.145 4.193 4.340 -0.003 0.000 0.235 424 R C 2.320 178.423 176.300 -0.329 0.000 1.131 424 R CA 1.327 57.252 56.100 -0.291 0.000 0.960 424 R CB -0.392 29.779 30.300 -0.215 0.000 0.856 424 R HN 0.179 nan 8.270 nan 0.000 0.436 425 F N 0.849 120.715 119.950 -0.141 0.000 2.069 425 F HA -0.280 4.245 4.527 -0.002 0.000 0.298 425 F C 1.982 177.795 175.800 0.023 0.000 1.113 425 F CA 1.510 59.515 58.000 0.009 0.000 1.214 425 F CB -0.624 38.391 39.000 0.024 0.000 0.978 425 F HN -0.040 nan 8.300 nan 0.000 0.474 426 F N 1.179 120.923 119.950 -0.344 0.000 2.102 426 F HA -0.064 4.461 4.527 -0.004 0.000 0.298 426 F C 2.354 177.899 175.800 -0.424 0.000 1.105 426 F CA 1.612 59.333 58.000 -0.466 0.000 1.239 426 F CB -1.226 37.588 39.000 -0.310 0.000 0.991 426 F HN 0.048 nan 8.300 nan 0.000 0.474 427 A N -0.277 122.243 122.820 -0.500 0.000 1.908 427 A HA -0.267 4.051 4.320 -0.003 0.000 0.218 427 A C 2.021 179.337 177.584 -0.447 0.000 1.181 427 A CA 2.150 53.851 52.037 -0.560 0.000 0.627 427 A CB -1.558 17.203 19.000 -0.398 0.000 0.818 427 A HN 0.698 nan 8.150 nan 0.000 0.445 428 H N -1.026 117.865 119.070 -0.299 0.000 2.353 428 H HA -0.126 4.429 4.556 -0.003 0.000 0.300 428 H C 2.381 177.547 175.328 -0.270 0.000 1.090 428 H CA 1.163 57.071 56.048 -0.233 0.000 1.327 428 H CB 0.095 29.775 29.762 -0.136 0.000 1.383 428 H HN 0.421 nan 8.280 nan 0.000 0.508 429 Q N 0.142 119.789 119.800 -0.255 0.000 2.084 429 Q HA -0.127 4.211 4.340 -0.003 0.000 0.202 429 Q C 2.665 178.560 176.000 -0.175 0.000 0.978 429 Q CA 0.913 56.618 55.803 -0.163 0.000 0.844 429 Q CB -0.868 27.705 28.738 -0.276 0.000 0.898 429 Q HN 0.502 nan 8.270 nan 0.000 0.426 430 C N 0.851 119.880 119.300 -0.452 0.000 2.425 430 C HA -0.133 4.325 4.460 -0.003 0.000 0.277 430 C C 2.598 177.451 174.990 -0.228 0.000 1.280 430 C CA 0.718 59.446 59.018 -0.483 0.000 1.744 430 C CB -0.763 26.337 27.740 -1.067 0.000 1.989 430 C HN 0.560 nan 8.230 nan 0.000 0.491 431 Q N -0.508 119.169 119.800 -0.205 0.000 2.311 431 Q HA -0.087 4.251 4.340 -0.003 0.000 0.203 431 Q C 2.022 177.938 176.000 -0.139 0.000 0.954 431 Q CA 1.587 57.323 55.803 -0.112 0.000 0.885 431 Q CB -0.049 28.640 28.738 -0.082 0.000 0.963 431 Q HN 0.682 nan 8.270 nan 0.000 0.471 432 T N -1.231 113.193 114.554 -0.217 0.000 3.021 432 T HA 0.028 4.377 4.350 -0.003 0.000 0.245 432 T C 0.608 174.984 174.700 -0.540 0.000 1.028 432 T CA 0.627 62.459 62.100 -0.447 0.000 1.139 432 T CB 0.075 68.550 68.868 -0.654 0.000 0.884 432 T HN 0.248 nan 8.240 nan 0.000 0.457 433 Y N 0.823 121.109 120.300 -0.023 0.000 2.612 433 Y HA 0.398 4.946 4.550 -0.004 0.000 0.250 433 Y C 1.821 177.729 175.900 0.013 0.000 1.175 433 Y CA -0.749 57.349 58.100 -0.003 0.000 1.205 433 Y CB 0.047 38.516 38.460 0.016 0.000 1.201 433 Y HN 0.071 nan 8.280 nan 0.000 0.532 434 N N 0.658 119.427 118.700 0.114 0.000 2.216 434 N HA -0.131 4.607 4.740 -0.003 0.000 0.183 434 N C 0.795 176.330 175.510 0.042 0.000 1.017 434 N CA 1.695 54.817 53.050 0.121 0.000 0.861 434 N CB 0.180 38.778 38.487 0.185 0.000 0.986 434 N HN 0.183 nan 8.380 nan 0.000 0.428 435 D N -0.872 119.534 120.400 0.010 0.000 2.431 435 D HA 0.183 4.821 4.640 -0.003 0.000 0.213 435 D C -0.671 175.614 176.300 -0.025 0.000 1.130 435 D CA 0.103 54.087 54.000 -0.027 0.000 0.834 435 D CB 1.383 42.164 40.800 -0.032 0.000 0.985 435 D HN -0.050 nan 8.370 nan 0.000 0.504 436 V N 1.743 121.666 119.914 0.015 0.000 2.760 436 V HA 0.295 4.413 4.120 -0.003 0.000 0.309 436 V C -2.480 173.708 176.094 0.156 0.000 1.077 436 V CA -2.051 60.284 62.300 0.058 0.000 0.910 436 V CB 2.795 34.633 31.823 0.026 0.000 1.008 436 V HN -0.215 nan 8.190 nan 0.000 0.424 437 P HA 0.081 nan 4.420 nan 0.000 0.264 437 P C -0.483 176.895 177.300 0.130 0.000 1.193 437 P CA -0.130 63.028 63.100 0.097 0.000 0.763 437 P CB 0.402 32.150 31.700 0.080 0.000 0.810 438 L N 7.395 128.619 121.223 0.001 0.000 2.410 438 L HA 0.284 4.623 4.340 -0.003 0.000 0.273 438 L C -2.102 174.627 176.870 -0.235 0.000 1.152 438 L CA -1.673 52.974 54.840 -0.321 0.000 0.855 438 L CB -0.417 41.467 42.059 -0.292 0.000 1.129 438 L HN 0.308 nan 8.230 nan 0.000 0.463 439 P HA 0.120 nan 4.420 nan 0.000 0.268 439 P C -0.965 176.131 177.300 -0.340 0.000 1.204 439 P CA -0.208 62.761 63.100 -0.220 0.000 0.768 439 P CB 0.480 32.072 31.700 -0.179 0.000 0.842 440 A N 5.710 128.382 122.820 -0.246 0.000 2.572 440 A HA 0.108 4.426 4.320 -0.003 0.000 0.256 440 A C -1.745 175.620 177.584 -0.365 0.000 1.041 440 A CA -0.497 51.353 52.037 -0.311 0.000 0.790 440 A CB -1.440 17.476 19.000 -0.139 0.000 0.947 440 A HN 0.406 nan 8.150 nan 0.000 0.518 441 P HA 0.188 nan 4.420 nan 0.000 0.267 441 P C -0.354 176.876 177.300 -0.117 0.000 1.205 441 P CA -0.108 62.766 63.100 -0.377 0.000 0.765 441 P CB 0.739 32.280 31.700 -0.265 0.000 0.828 442 D N 0.574 120.973 120.400 -0.001 0.000 2.478 442 D HA 0.091 4.729 4.640 -0.003 0.000 0.274 442 D C 0.902 177.277 176.300 0.124 0.000 1.234 442 D CA -0.380 53.659 54.000 0.065 0.000 1.069 442 D CB -0.758 40.093 40.800 0.086 0.000 1.113 442 D HN 0.158 nan 8.370 nan 0.000 0.571 443 T N -1.367 113.255 114.554 0.113 0.000 2.684 443 T HA -0.228 4.120 4.350 -0.003 0.000 0.267 443 T C 1.554 176.339 174.700 0.142 0.000 1.036 443 T CA 1.777 63.939 62.100 0.104 0.000 1.148 443 T CB -0.807 68.110 68.868 0.081 0.000 0.863 443 T HN 0.489 nan 8.240 nan 0.000 0.436 444 Y N 0.586 120.927 120.300 0.068 0.000 2.128 444 Y HA -0.261 4.287 4.550 -0.003 0.000 0.284 444 Y C 2.303 178.262 175.900 0.099 0.000 1.154 444 Y CA 1.260 59.403 58.100 0.071 0.000 1.149 444 Y CB -0.645 37.872 38.460 0.094 0.000 0.976 444 Y HN 0.254 nan 8.280 nan 0.000 0.505 445 Y N 1.012 121.337 120.300 0.041 0.000 2.181 445 Y HA -0.270 4.278 4.550 -0.003 0.000 0.288 445 Y C 2.517 178.372 175.900 -0.076 0.000 1.146 445 Y CA 2.205 60.276 58.100 -0.048 0.000 1.164 445 Y CB -0.293 38.198 38.460 0.051 0.000 0.982 445 Y HN 0.289 nan 8.280 nan 0.000 0.515 446 Q N -0.585 119.299 119.800 0.139 0.000 2.119 446 Q HA -0.228 4.110 4.340 -0.003 0.000 0.201 446 Q C 2.126 178.115 176.000 -0.018 0.000 0.972 446 Q CA 1.781 57.627 55.803 0.072 0.000 0.847 446 Q CB -0.127 28.651 28.738 0.067 0.000 0.903 446 Q HN 0.621 nan 8.270 nan 0.000 0.433 447 Q N -0.353 119.407 119.800 -0.067 0.000 2.212 447 Q HA 0.011 4.349 4.340 -0.003 0.000 0.199 447 Q C 1.634 177.517 176.000 -0.196 0.000 0.950 447 Q CA 0.727 56.465 55.803 -0.109 0.000 0.863 447 Q CB 0.327 29.004 28.738 -0.102 0.000 0.944 447 Q HN 0.212 nan 8.270 nan 0.000 0.465 448 R N -1.015 119.301 120.500 -0.307 0.000 2.342 448 R HA 0.192 4.530 4.340 -0.003 0.000 0.204 448 R C 1.602 177.788 176.300 -0.191 0.000 0.882 448 R CA 0.040 55.933 56.100 -0.345 0.000 1.041 448 R CB 0.762 30.725 30.300 -0.560 0.000 1.188 448 R HN 0.111 nan 8.270 nan 0.000 0.598 449 I N 0.470 120.815 120.570 -0.375 0.000 2.947 449 I HA -0.018 4.150 4.170 -0.003 0.000 0.263 449 I C 2.137 178.117 176.117 -0.229 0.000 1.130 449 I CA 0.750 61.796 61.300 -0.422 0.000 1.448 449 I CB -0.772 36.666 38.000 -0.937 0.000 1.222 449 I HN 0.075 nan 8.210 nan 0.000 0.453 450 L N 1.486 122.589 121.223 -0.200 0.000 2.021 450 L HA -0.194 4.144 4.340 -0.003 0.000 0.215 450 L C -0.269 176.630 176.870 0.048 0.000 1.074 450 L CA 2.100 56.945 54.840 0.009 0.000 0.760 450 L CB -2.051 40.051 42.059 0.072 0.000 0.889 450 L HN 0.168 nan 8.230 nan 0.000 0.433 451 P HA -0.129 nan 4.420 nan 0.000 0.218 451 P C 1.888 179.193 177.300 0.007 0.000 1.148 451 P CA 1.075 64.203 63.100 0.047 0.000 0.822 451 P CB 0.051 31.817 31.700 0.109 0.000 0.784 452 V N -0.533 119.372 119.914 -0.014 0.000 2.307 452 V HA -0.219 3.899 4.120 -0.003 0.000 0.245 452 V C 2.449 178.578 176.094 0.057 0.000 1.045 452 V CA 1.613 63.893 62.300 -0.033 0.000 1.024 452 V CB -1.287 30.498 31.823 -0.064 0.000 0.651 452 V HN 0.057 nan 8.190 nan 0.000 0.449 453 L N -0.676 120.639 121.223 0.154 0.000 2.042 453 L HA -0.201 4.137 4.340 -0.003 0.000 0.210 453 L C 2.438 179.440 176.870 0.221 0.000 1.076 453 L CA 1.479 56.442 54.840 0.205 0.000 0.749 453 L CB -0.592 41.660 42.059 0.322 0.000 0.893 453 L HN 0.300 nan 8.230 nan 0.000 0.432 454 L N -0.355 120.993 121.223 0.209 0.000 2.012 454 L HA -0.269 4.069 4.340 -0.003 0.000 0.210 454 L C 2.270 179.214 176.870 0.124 0.000 1.073 454 L CA 1.653 56.624 54.840 0.218 0.000 0.748 454 L CB -0.590 41.542 42.059 0.123 0.000 0.891 454 L HN 0.316 nan 8.230 nan 0.000 0.431 455 D N -0.546 119.865 120.400 0.019 0.000 2.117 455 D HA -0.164 4.474 4.640 -0.003 0.000 0.197 455 D C 2.238 178.452 176.300 -0.144 0.000 0.987 455 D CA 1.380 55.352 54.000 -0.047 0.000 0.829 455 D CB 0.183 40.939 40.800 -0.074 0.000 0.961 455 D HN 0.071 nan 8.370 nan 0.000 0.460 456 S N -1.047 114.475 115.700 -0.296 0.000 2.368 456 S HA -0.112 4.356 4.470 -0.003 0.000 0.225 456 S C 1.762 175.856 174.600 -0.844 0.000 1.030 456 S CA 0.695 58.467 58.200 -0.712 0.000 0.999 456 S CB -0.500 61.971 63.200 -1.215 0.000 0.844 456 S HN 0.340 nan 8.310 nan 0.000 0.459 457 F N 1.576 121.207 119.950 -0.531 0.000 2.216 457 F HA -0.126 4.399 4.527 -0.002 0.000 0.300 457 F C 2.370 178.106 175.800 -0.107 0.000 1.085 457 F CA 1.060 58.934 58.000 -0.210 0.000 1.326 457 F CB -0.187 38.887 39.000 0.122 0.000 1.027 457 F HN 0.171 nan 8.300 nan 0.000 0.497 458 D N 0.114 120.570 120.400 0.094 0.000 2.144 458 D HA -0.120 4.518 4.640 -0.003 0.000 0.200 458 D C 2.123 178.423 176.300 -0.001 0.000 0.978 458 D CA 1.211 55.247 54.000 0.059 0.000 0.833 458 D CB -0.004 40.824 40.800 0.047 0.000 0.961 458 D HN 0.124 nan 8.370 nan 0.000 0.470 459 R N -0.715 119.741 120.500 -0.072 0.000 2.200 459 R HA 0.103 4.441 4.340 -0.003 0.000 0.208 459 R C 0.455 176.717 176.300 -0.063 0.000 1.033 459 R CA 0.377 56.430 56.100 -0.078 0.000 1.000 459 R CB 0.147 30.376 30.300 -0.119 0.000 0.906 459 R HN -0.024 nan 8.270 nan 0.000 0.462 460 N N 0.201 118.855 118.700 -0.077 0.000 2.765 460 N HA 0.011 4.749 4.740 -0.003 0.000 0.277 460 N C 0.212 175.769 175.510 0.079 0.000 1.750 460 N CA -0.042 53.006 53.050 -0.003 0.000 0.827 460 N CB 0.908 39.396 38.487 0.002 0.000 1.200 460 N HN 0.016 nan 8.380 nan 0.000 0.494 461 S N -0.390 115.353 115.700 0.073 0.000 2.440 461 S HA -0.158 4.311 4.470 -0.003 0.000 0.238 461 S C 1.949 176.603 174.600 0.090 0.000 1.010 461 S CA 0.995 59.246 58.200 0.085 0.000 0.972 461 S CB -0.077 63.161 63.200 0.064 0.000 0.774 461 S HN 0.374 nan 8.310 nan 0.000 0.501 462 A N 2.028 124.911 122.820 0.104 0.000 1.933 462 A HA 0.293 4.611 4.320 -0.003 0.000 0.218 462 A C 2.508 180.174 177.584 0.137 0.000 1.175 462 A CA 1.559 53.659 52.037 0.104 0.000 0.628 462 A CB -1.392 17.667 19.000 0.098 0.000 0.814 462 A HN 0.901 nan 8.150 nan 0.000 0.444 463 A N -0.519 122.445 122.820 0.240 0.000 2.070 463 A HA -0.093 4.225 4.320 -0.003 0.000 0.220 463 A C 2.129 179.985 177.584 0.453 0.000 1.159 463 A CA 1.552 53.828 52.037 0.398 0.000 0.656 463 A CB -0.616 18.663 19.000 0.465 0.000 0.800 463 A HN 0.567 nan 8.150 nan 0.000 0.453 464 M N -0.212 119.505 119.600 0.195 0.000 2.106 464 M HA -0.167 4.311 4.480 -0.003 0.000 0.259 464 M C 2.247 178.507 176.300 -0.067 0.000 1.068 464 M CA 2.218 57.304 55.300 -0.357 0.000 1.100 464 M CB -0.705 31.436 32.600 -0.766 0.000 1.351 464 M HN 0.698 nan 8.290 nan 0.000 0.404 465 T N -4.732 109.805 114.554 -0.027 0.000 3.039 465 T HA 0.066 4.415 4.350 -0.003 0.000 0.250 465 T C 1.670 176.359 174.700 -0.018 0.000 1.052 465 T CA 0.948 63.019 62.100 -0.049 0.000 1.125 465 T CB -0.460 68.152 68.868 -0.426 0.000 0.908 465 T HN 0.170 nan 8.240 nan 0.000 0.473 466 T N 1.345 115.899 114.554 0.000 0.000 2.867 466 T HA -0.050 4.299 4.350 -0.003 0.000 0.268 466 T C 0.535 175.067 174.700 -0.280 0.000 1.057 466 T CA 0.905 62.951 62.100 -0.090 0.000 1.136 466 T CB -0.264 68.608 68.868 0.007 0.000 0.874 466 T HN 0.558 nan 8.240 nan 0.000 0.466 467 H N 0.546 119.688 119.070 0.119 0.000 2.386 467 H HA 0.301 4.856 4.556 -0.002 0.000 0.232 467 H C 1.069 176.537 175.328 0.234 0.000 1.416 467 H CA -0.122 56.018 56.048 0.153 0.000 1.285 467 H CB 0.501 30.354 29.762 0.151 0.000 1.625 467 H HN 0.313 nan 8.280 nan 0.000 0.521 468 S N -0.437 115.406 115.700 0.238 0.000 2.453 468 S HA -0.067 4.402 4.470 -0.003 0.000 0.231 468 S C 2.217 176.947 174.600 0.217 0.000 1.005 468 S CA 0.674 59.040 58.200 0.277 0.000 0.949 468 S CB 0.004 63.396 63.200 0.320 0.000 0.774 468 S HN 0.494 nan 8.310 nan 0.000 0.510 469 G N 2.403 111.296 108.800 0.155 0.000 2.453 469 G HA2 -0.142 3.816 3.960 -0.003 0.000 0.215 469 G HA3 -0.142 3.816 3.960 -0.003 0.000 0.215 469 G C 1.333 176.295 174.900 0.103 0.000 1.201 469 G CA 1.066 46.210 45.100 0.073 0.000 0.784 469 G HN 0.475 nan 8.290 nan 0.000 0.545 470 L N -0.326 121.025 121.223 0.213 0.000 2.017 470 L HA 0.133 4.471 4.340 -0.003 0.000 0.208 470 L C 2.509 179.551 176.870 0.286 0.000 1.073 470 L CA 1.756 56.761 54.840 0.275 0.000 0.745 470 L CB -0.734 41.537 42.059 0.354 0.000 0.894 470 L HN 0.263 nan 8.230 nan 0.000 0.432 471 F N 0.460 120.482 119.950 0.120 0.000 2.065 471 F HA -0.319 4.206 4.527 -0.004 0.000 0.298 471 F C 2.411 178.095 175.800 -0.193 0.000 1.112 471 F CA 2.169 59.981 58.000 -0.312 0.000 1.212 471 F CB -0.357 38.327 39.000 -0.527 0.000 0.975 471 F HN 0.242 nan 8.300 nan 0.000 0.476 472 N N 0.321 118.920 118.700 -0.168 0.000 2.149 472 N HA -0.220 4.518 4.740 -0.003 0.000 0.188 472 N C 1.776 177.132 175.510 -0.256 0.000 1.019 472 N CA 1.715 54.666 53.050 -0.164 0.000 0.857 472 N CB -0.433 38.087 38.487 0.055 0.000 0.997 472 N HN 0.589 nan 8.380 nan 0.000 0.426 473 Q N 0.439 120.124 119.800 -0.191 0.000 2.050 473 Q HA -0.079 4.259 4.340 -0.003 0.000 0.202 473 Q C 2.281 178.169 176.000 -0.187 0.000 0.980 473 Q CA 1.125 56.794 55.803 -0.223 0.000 0.840 473 Q CB -0.097 28.608 28.738 -0.055 0.000 0.898 473 Q HN 0.173 nan 8.270 nan 0.000 0.424 474 V N 1.404 121.282 119.914 -0.060 0.000 2.287 474 V HA -0.273 3.845 4.120 -0.003 0.000 0.248 474 V C 2.282 178.301 176.094 -0.125 0.000 1.053 474 V CA 1.404 63.718 62.300 0.023 0.000 1.027 474 V CB -0.546 31.365 31.823 0.146 0.000 0.646 474 V HN 0.349 nan 8.190 nan 0.000 0.447 475 I N -0.368 119.996 120.570 -0.343 0.000 2.163 475 I HA -0.240 3.929 4.170 -0.003 0.000 0.243 475 I C 2.471 178.463 176.117 -0.209 0.000 1.085 475 I CA 1.690 62.771 61.300 -0.364 0.000 1.347 475 I CB -1.329 36.331 38.000 -0.568 0.000 1.044 475 I HN 0.333 nan 8.210 nan 0.000 0.408 476 L N 0.884 121.982 121.223 -0.209 0.000 1.997 476 L HA -0.279 4.060 4.340 -0.003 0.000 0.216 476 L C 2.761 179.482 176.870 -0.248 0.000 1.074 476 L CA 2.092 56.744 54.840 -0.314 0.000 0.763 476 L CB -0.910 40.711 42.059 -0.731 0.000 0.890 476 L HN 0.278 nan 8.230 nan 0.000 0.434 477 H N -1.611 117.398 119.070 -0.102 0.000 2.423 477 H HA -0.077 4.478 4.556 -0.002 0.000 0.297 477 H C 2.450 177.750 175.328 -0.046 0.000 1.075 477 H CA 1.468 57.481 56.048 -0.059 0.000 1.342 477 H CB -0.788 28.957 29.762 -0.029 0.000 1.395 477 H HN 0.467 nan 8.280 nan 0.000 0.530 478 C N 0.604 119.923 119.300 0.030 0.000 2.425 478 C HA -0.116 4.342 4.460 -0.003 0.000 0.277 478 C C 2.763 177.695 174.990 -0.097 0.000 1.280 478 C CA 0.634 59.630 59.018 -0.036 0.000 1.744 478 C CB -0.634 27.050 27.740 -0.093 0.000 1.989 478 C HN 0.459 nan 8.230 nan 0.000 0.491 479 M N 0.761 120.271 119.600 -0.150 0.000 2.349 479 M HA -0.018 4.460 4.480 -0.003 0.000 0.266 479 M C 2.088 178.357 176.300 -0.051 0.000 1.076 479 M CA 1.666 56.858 55.300 -0.179 0.000 1.126 479 M CB -1.777 30.653 32.600 -0.283 0.000 1.392 479 M HN 0.637 nan 8.290 nan 0.000 0.440 480 T N -3.295 111.256 114.554 -0.005 0.000 2.985 480 T HA 0.290 4.639 4.350 -0.003 0.000 0.254 480 T C 1.079 175.804 174.700 0.040 0.000 1.021 480 T CA 0.078 62.195 62.100 0.029 0.000 0.957 480 T CB -0.361 68.529 68.868 0.036 0.000 1.047 480 T HN 0.294 nan 8.240 nan 0.000 0.511 481 G N 2.053 110.881 108.800 0.047 0.000 2.343 481 G HA2 0.380 4.338 3.960 -0.003 0.000 0.254 481 G HA3 0.380 4.338 3.960 -0.003 0.000 0.254 481 G C 1.157 176.071 174.900 0.024 0.000 1.277 481 G CA -0.015 45.111 45.100 0.043 0.000 0.909 481 G HN 0.510 nan 8.290 nan 0.000 0.502 482 V N -0.532 119.395 119.914 0.022 0.000 2.759 482 V HA 0.076 4.195 4.120 -0.003 0.000 0.256 482 V C 1.823 177.925 176.094 0.013 0.000 1.080 482 V CA 2.251 64.560 62.300 0.016 0.000 1.101 482 V CB -0.934 30.898 31.823 0.015 0.000 0.698 482 V HN 0.655 nan 8.190 nan 0.000 0.477 483 D N -1.342 119.068 120.400 0.016 0.000 2.398 483 D HA 0.251 4.889 4.640 -0.003 0.000 0.210 483 D C 0.829 177.133 176.300 0.007 0.000 1.094 483 D CA 0.505 54.512 54.000 0.013 0.000 0.839 483 D CB -0.338 40.474 40.800 0.020 0.000 0.963 483 D HN 0.660 nan 8.370 nan 0.000 0.506 484 C N 2.554 121.859 119.300 0.007 0.000 2.653 484 C HA 0.521 4.979 4.460 -0.003 0.000 0.421 484 C C 1.558 176.543 174.990 -0.009 0.000 1.334 484 C CA -0.125 58.892 59.018 -0.001 0.000 1.885 484 C CB 0.061 27.799 27.740 -0.003 0.000 2.645 484 C HN 0.621 nan 8.230 nan 0.000 0.601 485 T N 0.139 114.687 114.554 -0.011 0.000 2.813 485 T HA 0.081 4.429 4.350 -0.003 0.000 0.297 485 T C 0.813 175.503 174.700 -0.017 0.000 1.036 485 T CA -0.279 61.814 62.100 -0.011 0.000 1.044 485 T CB 0.607 69.470 68.868 -0.008 0.000 0.993 485 T HN 0.648 nan 8.240 nan 0.000 0.535 486 D N 1.660 122.051 120.400 -0.015 0.000 2.117 486 D HA -0.028 4.610 4.640 -0.003 0.000 0.197 486 D C 2.357 178.644 176.300 -0.022 0.000 0.987 486 D CA 1.672 55.661 54.000 -0.019 0.000 0.829 486 D CB -0.964 39.830 40.800 -0.010 0.000 0.961 486 D HN 0.825 nan 8.370 nan 0.000 0.460 487 G N 0.103 108.896 108.800 -0.012 0.000 2.440 487 G HA2 -0.283 3.675 3.960 -0.003 0.000 0.218 487 G HA3 -0.283 3.675 3.960 -0.003 0.000 0.218 487 G C 1.730 176.623 174.900 -0.013 0.000 1.154 487 G CA 1.574 46.670 45.100 -0.007 0.000 0.767 487 G HN 0.237 nan 8.290 nan 0.000 0.552 488 T N 0.555 115.100 114.554 -0.015 0.000 2.746 488 T HA -0.079 4.269 4.350 -0.003 0.000 0.267 488 T C 2.518 177.183 174.700 -0.059 0.000 1.039 488 T CA 1.191 63.279 62.100 -0.020 0.000 1.142 488 T CB -0.134 68.728 68.868 -0.009 0.000 0.866 488 T HN 0.295 nan 8.240 nan 0.000 0.444 489 R N 0.898 121.349 120.500 -0.081 0.000 2.075 489 R HA -0.037 4.301 4.340 -0.003 0.000 0.232 489 R C 2.722 178.918 176.300 -0.174 0.000 1.126 489 R CA 1.197 57.204 56.100 -0.154 0.000 0.963 489 R CB -0.298 29.917 30.300 -0.141 0.000 0.858 489 R HN 0.524 nan 8.270 nan 0.000 0.435 490 Q N 0.633 120.376 119.800 -0.096 0.000 2.050 490 Q HA -0.193 4.145 4.340 -0.003 0.000 0.202 490 Q C 2.095 178.071 176.000 -0.041 0.000 0.980 490 Q CA 1.416 57.182 55.803 -0.061 0.000 0.840 490 Q CB -0.072 28.654 28.738 -0.020 0.000 0.898 490 Q HN 0.024 nan 8.270 nan 0.000 0.424 491 K N 0.959 121.343 120.400 -0.027 0.000 2.057 491 K HA -0.128 4.190 4.320 -0.003 0.000 0.207 491 K C 1.829 178.433 176.600 0.007 0.000 1.049 491 K CA 1.433 57.723 56.287 0.007 0.000 0.931 491 K CB -0.483 32.027 32.500 0.016 0.000 0.714 491 K HN 0.195 nan 8.250 nan 0.000 0.440 492 A N 0.538 123.321 122.820 -0.061 0.000 1.883 492 A HA -0.109 4.209 4.320 -0.003 0.000 0.217 492 A C 2.395 179.908 177.584 -0.119 0.000 1.186 492 A CA 2.252 54.218 52.037 -0.118 0.000 0.624 492 A CB -1.183 17.673 19.000 -0.241 0.000 0.822 492 A HN 0.436 nan 8.150 nan 0.000 0.444 493 A N -0.246 122.451 122.820 -0.205 0.000 1.902 493 A HA 0.166 4.484 4.320 -0.003 0.000 0.217 493 A C 2.532 180.222 177.584 0.176 0.000 1.181 493 A CA 2.162 54.146 52.037 -0.089 0.000 0.623 493 A CB -1.091 17.797 19.000 -0.187 0.000 0.818 493 A HN 1.111 nan 8.150 nan 0.000 0.443 494 A N -0.218 122.671 122.820 0.116 0.000 1.908 494 A HA -0.089 4.229 4.320 -0.003 0.000 0.218 494 A C 2.180 179.879 177.584 0.191 0.000 1.181 494 A CA 1.597 53.721 52.037 0.144 0.000 0.627 494 A CB -0.641 18.416 19.000 0.095 0.000 0.818 494 A HN 0.482 nan 8.150 nan 0.000 0.445 495 L N -2.517 118.834 121.223 0.213 0.000 2.093 495 L HA -0.178 4.160 4.340 -0.003 0.000 0.208 495 L C 2.576 179.719 176.870 0.455 0.000 1.085 495 L CA 1.476 56.498 54.840 0.303 0.000 0.755 495 L CB -0.562 41.712 42.059 0.358 0.000 0.904 495 L HN 0.518 nan 8.230 nan 0.000 0.435 496 Y N 0.859 121.350 120.300 0.318 0.000 2.224 496 Y HA -0.280 4.269 4.550 -0.001 0.000 0.289 496 Y C 2.658 178.804 175.900 0.410 0.000 1.146 496 Y CA 1.728 60.071 58.100 0.405 0.000 1.182 496 Y CB -0.118 38.533 38.460 0.318 0.000 0.983 496 Y HN 0.211 nan 8.280 nan 0.000 0.524 497 E N -0.253 120.164 120.200 0.363 0.000 2.085 497 E HA -0.313 4.035 4.350 -0.003 0.000 0.194 497 E C 2.033 178.718 176.600 0.141 0.000 0.994 497 E CA 1.789 58.325 56.400 0.228 0.000 0.801 497 E CB -0.089 29.737 29.700 0.209 0.000 0.743 497 E HN 0.634 nan 8.360 nan 0.000 0.453 498 Q N -0.733 119.160 119.800 0.155 0.000 2.084 498 Q HA -0.220 4.119 4.340 -0.003 0.000 0.202 498 Q C 2.039 178.094 176.000 0.092 0.000 0.978 498 Q CA 1.700 57.568 55.803 0.108 0.000 0.844 498 Q CB -0.354 28.450 28.738 0.109 0.000 0.898 498 Q HN 0.429 nan 8.270 nan 0.000 0.426 499 Y N 1.273 121.542 120.300 -0.051 0.000 2.165 499 Y HA -0.214 4.337 4.550 0.002 0.000 0.286 499 Y C 1.713 177.538 175.900 -0.126 0.000 1.155 499 Y CA 1.432 59.446 58.100 -0.144 0.000 1.164 499 Y CB -0.127 38.233 38.460 -0.166 0.000 0.978 499 Y HN 0.008 nan 8.280 nan 0.000 0.513 500 L N -0.392 120.742 121.223 -0.148 0.000 2.291 500 L HA -0.048 4.290 4.340 -0.003 0.000 0.214 500 L C 2.507 179.289 176.870 -0.147 0.000 1.120 500 L CA 0.771 55.475 54.840 -0.227 0.000 0.799 500 L CB -0.621 41.361 42.059 -0.128 0.000 0.925 500 L HN 0.322 nan 8.230 nan 0.000 0.446 501 A N -1.994 120.786 122.820 -0.068 0.000 2.169 501 A HA -0.080 4.238 4.320 -0.003 0.000 0.212 501 A C 1.087 178.636 177.584 -0.059 0.000 1.153 501 A CA 0.027 52.036 52.037 -0.048 0.000 0.756 501 A CB -0.549 18.444 19.000 -0.012 0.000 0.813 501 A HN 0.313 nan 8.150 nan 0.000 0.471 502 H N 0.582 119.556 119.070 -0.160 0.000 2.928 502 H HA 0.062 4.615 4.556 -0.005 0.000 0.338 502 H C -1.745 173.498 175.328 -0.142 0.000 1.047 502 H CA -1.028 54.929 56.048 -0.151 0.000 1.435 502 H CB 1.093 30.732 29.762 -0.204 0.000 1.428 502 H HN 0.018 nan 8.280 nan 0.000 0.590 503 P HA -0.130 nan 4.420 nan 0.000 0.218 503 P C 0.816 178.108 177.300 -0.015 0.000 1.146 503 P CA 1.910 64.900 63.100 -0.183 0.000 0.813 503 P CB 0.129 31.674 31.700 -0.260 0.000 0.778 504 A N -1.428 121.533 122.820 0.234 0.000 2.072 504 A HA 0.011 4.329 4.320 -0.003 0.000 0.216 504 A C 2.044 179.681 177.584 0.088 0.000 1.156 504 A CA 1.068 53.203 52.037 0.162 0.000 0.701 504 A CB -0.886 18.222 19.000 0.180 0.000 0.816 504 A HN 0.063 nan 8.150 nan 0.000 0.458 505 V N -0.026 119.891 119.914 0.005 0.000 2.788 505 V HA -0.102 4.016 4.120 -0.003 0.000 0.241 505 V C 2.749 178.794 176.094 -0.083 0.000 1.083 505 V CA 1.558 63.799 62.300 -0.098 0.000 1.103 505 V CB -0.445 31.080 31.823 -0.497 0.000 0.800 505 V HN 0.687 nan 8.190 nan 0.000 0.476 506 S N 1.455 117.086 115.700 -0.115 0.000 2.387 506 S HA -0.173 4.295 4.470 -0.003 0.000 0.230 506 S C -0.103 174.426 174.600 -0.117 0.000 1.035 506 S CA 1.764 59.890 58.200 -0.123 0.000 1.014 506 S CB -2.078 61.059 63.200 -0.104 0.000 0.836 506 S HN 0.482 nan 8.310 nan 0.000 0.466 507 P HA -0.119 nan 4.420 nan 0.000 0.216 507 P C 1.176 178.359 177.300 -0.194 0.000 1.150 507 P CA 1.394 64.374 63.100 -0.200 0.000 0.843 507 P CB -0.264 31.248 31.700 -0.313 0.000 0.787 508 H N -1.375 117.672 119.070 -0.038 0.000 2.546 508 H HA 0.099 4.661 4.556 0.010 0.000 0.277 508 H C 0.882 176.190 175.328 -0.034 0.000 1.004 508 H CA 0.330 56.373 56.048 -0.007 0.000 1.231 508 H CB -0.479 29.288 29.762 0.007 0.000 1.382 508 H HN 0.216 nan 8.280 nan 0.000 0.580 509 I N 2.588 123.137 120.570 -0.035 0.000 2.483 509 I HA -0.076 4.092 4.170 -0.003 0.000 0.291 509 I C 0.612 176.750 176.117 0.034 0.000 1.112 509 I CA 0.306 61.520 61.300 -0.144 0.000 1.350 509 I CB -0.200 37.634 38.000 -0.276 0.000 1.419 509 I HN 0.148 nan 8.210 nan 0.000 0.523 510 H N 5.549 124.637 119.070 0.030 0.000 2.488 510 H HA 0.266 4.816 4.556 -0.010 0.000 0.322 510 H C 0.704 176.099 175.328 0.111 0.000 1.078 510 H CA -0.509 55.577 56.048 0.064 0.000 1.260 510 H CB 0.941 30.744 29.762 0.068 0.000 1.425 510 H HN 0.489 nan 8.280 nan 0.000 0.471 511 N N 2.289 120.734 118.700 -0.426 0.000 2.149 511 N HA -0.104 4.635 4.740 -0.003 0.000 0.188 511 N C 1.840 177.287 175.510 -0.104 0.000 1.019 511 N CA 1.836 54.765 53.050 -0.202 0.000 0.857 511 N CB 0.022 38.394 38.487 -0.193 0.000 0.997 511 N HN 0.820 nan 8.380 nan 0.000 0.426 512 G N -1.584 107.023 108.800 -0.322 0.000 3.088 512 G HA2 0.159 4.117 3.960 -0.003 0.000 0.217 512 G HA3 0.159 4.117 3.960 -0.003 0.000 0.217 512 G C 0.993 176.004 174.900 0.185 0.000 1.159 512 G CA 0.016 45.073 45.100 -0.072 0.000 0.760 512 G HN 0.191 nan 8.290 nan 0.000 0.550 513 L N -1.427 120.080 121.223 0.472 0.000 2.854 513 L HA 0.438 4.777 4.340 -0.003 0.000 0.249 513 L C 0.162 177.243 176.870 0.352 0.000 1.091 513 L CA -0.352 54.722 54.840 0.391 0.000 0.935 513 L CB 0.499 42.595 42.059 0.061 0.000 1.367 513 L HN 0.111 nan 8.230 nan 0.000 0.524 514 F N 1.718 121.789 119.950 0.203 0.000 2.427 514 F HA 0.508 5.035 4.527 0.002 0.000 0.352 514 F C 1.401 177.088 175.800 -0.188 0.000 1.100 514 F CA 0.518 58.536 58.000 0.030 0.000 1.191 514 F CB 0.597 39.636 39.000 0.064 0.000 1.128 514 F HN 0.158 nan 8.300 nan 0.000 0.533 515 G N 5.328 113.425 108.800 -1.171 0.000 2.685 515 G HA2 -0.471 3.487 3.960 -0.003 0.000 0.329 515 G HA3 -0.471 3.487 3.960 -0.003 0.000 0.329 515 G C 0.882 175.244 174.900 -0.896 0.000 1.271 515 G CA 1.044 45.487 45.100 -1.094 0.000 1.003 515 G HN 0.781 nan 8.290 nan 0.000 0.549 516 N N 0.338 118.657 118.700 -0.635 0.000 2.398 516 N HA 0.331 5.069 4.740 -0.003 0.000 0.188 516 N C 0.359 175.653 175.510 -0.360 0.000 1.122 516 N CA 0.686 53.437 53.050 -0.498 0.000 0.866 516 N CB -0.031 38.314 38.487 -0.236 0.000 0.970 516 N HN 0.673 nan 8.380 nan 0.000 0.462 517 Y N -1.943 118.331 120.300 -0.044 0.000 4.929 517 Y HA -0.262 4.285 4.550 -0.005 0.000 0.252 517 Y C -0.383 175.526 175.900 0.015 0.000 0.950 517 Y CA 0.294 58.394 58.100 0.001 0.000 1.935 517 Y CB -1.808 36.640 38.460 -0.019 0.000 1.440 517 Y HN 0.293 nan 8.280 nan 0.000 0.567 518 D N 0.063 120.525 120.400 0.104 0.000 2.593 518 D HA 0.361 4.999 4.640 -0.003 0.000 0.241 518 D C 1.432 177.787 176.300 0.090 0.000 1.257 518 D CA 0.724 54.773 54.000 0.082 0.000 0.828 518 D CB 0.515 41.346 40.800 0.051 0.000 1.049 518 D HN 0.531 nan 8.370 nan 0.000 0.490 519 G N 1.745 110.638 108.800 0.155 0.000 2.221 519 G HA2 -0.241 3.718 3.960 -0.003 0.000 0.265 519 G HA3 -0.241 3.718 3.960 -0.003 0.000 0.265 519 G C 0.213 175.236 174.900 0.205 0.000 1.041 519 G CA 0.655 45.861 45.100 0.176 0.000 0.807 519 G HN 0.637 nan 8.290 nan 0.000 0.502 520 S N -0.875 114.950 115.700 0.209 0.000 2.540 520 S HA 0.861 5.329 4.470 -0.003 0.000 0.275 520 S C -2.607 171.944 174.600 -0.082 0.000 1.123 520 S CA -1.063 57.227 58.200 0.150 0.000 0.907 520 S CB 3.731 66.967 63.200 0.060 0.000 1.081 520 S HN 0.183 nan 8.310 nan 0.000 0.476 521 P HA 0.283 nan 4.420 nan 0.000 0.272 521 P C -1.054 175.783 177.300 -0.771 0.000 1.240 521 P CA -0.002 62.586 63.100 -0.854 0.000 0.791 521 P CB 0.310 31.259 31.700 -1.253 0.000 0.978 522 D N 0.177 120.095 120.400 -0.804 0.000 2.477 522 D HA 0.174 4.813 4.640 -0.003 0.000 0.239 522 D C 0.124 176.178 176.300 -0.411 0.000 1.102 522 D CA -0.460 53.243 54.000 -0.495 0.000 0.901 522 D CB -0.365 40.218 40.800 -0.362 0.000 1.026 522 D HN 0.261 nan 8.370 nan 0.000 0.515 523 W N 1.698 122.929 121.300 -0.114 0.000 2.961 523 W HA -0.021 4.638 4.660 -0.002 0.000 0.240 523 W C 2.155 178.638 176.519 -0.059 0.000 1.305 523 W CA 0.474 57.764 57.345 -0.092 0.000 1.465 523 W CB 0.192 29.606 29.460 -0.077 0.000 1.135 523 W HN 0.401 nan 8.180 nan 0.000 0.688 524 T N -3.772 110.848 114.554 0.110 0.000 3.118 524 T HA 0.019 4.367 4.350 -0.003 0.000 0.260 524 T C 0.647 175.372 174.700 0.041 0.000 1.139 524 T CA 0.822 62.963 62.100 0.068 0.000 1.085 524 T CB 0.054 68.942 68.868 0.032 0.000 0.934 524 T HN -0.086 nan 8.240 nan 0.000 0.518 525 T N 0.007 114.575 114.554 0.024 0.000 2.933 525 T HA 0.441 4.789 4.350 -0.003 0.000 0.305 525 T C 0.371 175.087 174.700 0.026 0.000 1.092 525 T CA -0.944 61.164 62.100 0.012 0.000 1.008 525 T CB 1.720 70.576 68.868 -0.020 0.000 1.102 525 T HN 0.063 nan 8.240 nan 0.000 0.469 526 R N 2.329 122.854 120.500 0.042 0.000 2.276 526 R HA 0.213 4.551 4.340 -0.003 0.000 0.196 526 R C 1.926 178.250 176.300 0.040 0.000 0.961 526 R CA 0.742 56.879 56.100 0.063 0.000 1.024 526 R CB 0.064 30.399 30.300 0.059 0.000 0.940 526 R HN 0.634 nan 8.270 nan 0.000 0.480 527 A N 1.023 123.852 122.820 0.015 0.000 2.218 527 A HA 0.300 4.618 4.320 -0.003 0.000 0.209 527 A C 0.962 178.544 177.584 -0.002 0.000 1.168 527 A CA 0.085 52.130 52.037 0.013 0.000 0.804 527 A CB 0.183 19.191 19.000 0.014 0.000 0.834 527 A HN 0.237 nan 8.150 nan 0.000 0.482 528 A N 0.645 123.430 122.820 -0.057 0.000 2.388 528 A HA 0.416 4.734 4.320 -0.003 0.000 0.257 528 A C -0.614 176.883 177.584 -0.145 0.000 1.095 528 A CA -0.392 51.554 52.037 -0.151 0.000 0.791 528 A CB 0.144 18.975 19.000 -0.281 0.000 1.029 528 A HN 0.300 nan 8.150 nan 0.000 0.489 529 D N 2.591 122.901 120.400 -0.151 0.000 2.508 529 D HA 0.059 4.697 4.640 -0.003 0.000 0.224 529 D C 0.042 176.156 176.300 -0.311 0.000 1.171 529 D CA 0.082 54.053 54.000 -0.048 0.000 1.006 529 D CB 0.389 41.272 40.800 0.138 0.000 1.073 529 D HN 0.457 nan 8.370 nan 0.000 0.513 530 N N 0.773 119.283 118.700 -0.317 0.000 2.299 530 N HA 0.016 4.754 4.740 -0.003 0.000 0.187 530 N C -0.212 175.139 175.510 -0.265 0.000 1.099 530 N CA 0.088 52.713 53.050 -0.708 0.000 0.867 530 N CB 0.557 38.349 38.487 -1.160 0.000 0.974 530 N HN 0.244 nan 8.380 nan 0.000 0.477 531 F N 0.734 120.843 119.950 0.266 0.000 2.444 531 F HA 0.476 5.000 4.527 -0.004 0.000 0.342 531 F C 0.010 176.107 175.800 0.496 0.000 1.121 531 F CA -0.686 57.562 58.000 0.413 0.000 0.997 531 F CB 1.661 40.783 39.000 0.203 0.000 1.130 531 F HN -0.320 nan 8.300 nan 0.000 0.454 532 L N 4.912 126.572 121.223 0.727 0.000 2.349 532 L HA 0.507 4.845 4.340 -0.003 0.000 0.278 532 L C -1.345 175.839 176.870 0.524 0.000 0.996 532 L CA -0.780 54.360 54.840 0.501 0.000 0.825 532 L CB 1.543 43.785 42.059 0.305 0.000 1.243 532 L HN 0.411 nan 8.230 nan 0.000 0.412 533 L N 4.868 126.329 121.223 0.395 0.000 2.298 533 L HA 0.463 4.801 4.340 -0.003 0.000 0.284 533 L C -0.100 177.019 176.870 0.414 0.000 1.013 533 L CA -0.091 54.994 54.840 0.409 0.000 0.824 533 L CB 1.470 43.739 42.059 0.351 0.000 1.221 533 L HN 0.400 nan 8.230 nan 0.000 0.418 534 L N 1.337 122.745 121.223 0.309 0.000 2.461 534 L HA 0.206 4.545 4.340 -0.003 0.000 0.272 534 L C 1.069 177.990 176.870 0.085 0.000 1.197 534 L CA 0.030 54.958 54.840 0.148 0.000 0.836 534 L CB 0.714 42.827 42.059 0.090 0.000 1.105 534 L HN 0.685 nan 8.230 nan 0.000 0.477 535 S N 0.884 116.506 115.700 -0.131 0.000 2.564 535 S HA 0.050 4.518 4.470 -0.003 0.000 0.278 535 S C 1.076 175.490 174.600 -0.310 0.000 1.333 535 S CA -0.553 57.343 58.200 -0.507 0.000 1.048 535 S CB 1.115 64.033 63.200 -0.469 0.000 0.900 535 S HN 0.621 nan 8.310 nan 0.000 0.505 536 S N 3.140 118.623 115.700 -0.362 0.000 2.607 536 S HA 0.110 4.578 4.470 -0.003 0.000 0.224 536 S C 1.841 176.307 174.600 -0.224 0.000 0.969 536 S CA 0.977 59.038 58.200 -0.232 0.000 0.927 536 S CB -0.063 63.018 63.200 -0.198 0.000 0.772 536 S HN 0.852 nan 8.310 nan 0.000 0.533 537 Q N -0.132 119.501 119.800 -0.278 0.000 2.519 537 Q HA 0.307 4.645 4.340 -0.003 0.000 0.248 537 Q C 0.526 176.417 176.000 -0.181 0.000 0.804 537 Q CA 0.673 56.320 55.803 -0.260 0.000 0.979 537 Q CB -0.439 28.034 28.738 -0.441 0.000 1.282 537 Q HN 0.603 nan 8.270 nan 0.000 0.558 538 D N 0.018 120.314 120.400 -0.174 0.000 2.256 538 D HA 0.517 5.156 4.640 -0.003 0.000 0.240 538 D C 0.786 177.068 176.300 -0.030 0.000 1.062 538 D CA 0.235 54.194 54.000 -0.069 0.000 0.832 538 D CB 1.362 42.149 40.800 -0.023 0.000 1.135 538 D HN 0.250 nan 8.370 nan 0.000 0.484 539 S N 0.641 116.344 115.700 0.005 0.000 2.383 539 S HA -0.117 4.351 4.470 -0.003 0.000 0.229 539 S C 0.886 175.554 174.600 0.114 0.000 1.030 539 S CA 1.417 59.641 58.200 0.039 0.000 1.002 539 S CB 0.046 63.264 63.200 0.030 0.000 0.829 539 S HN 0.727 nan 8.310 nan 0.000 0.467 540 D N 0.580 121.050 120.400 0.116 0.000 2.328 540 D HA 0.126 4.765 4.640 -0.003 0.000 0.221 540 D C 0.431 176.925 176.300 0.323 0.000 1.072 540 D CA 0.296 54.406 54.000 0.185 0.000 0.850 540 D CB 0.360 41.219 40.800 0.099 0.000 0.922 540 D HN 0.281 nan 8.370 nan 0.000 0.516 541 T N -0.714 113.968 114.554 0.213 0.000 2.841 541 T HA 0.767 5.115 4.350 -0.003 0.000 0.283 541 T C -0.926 173.777 174.700 0.005 0.000 1.000 541 T CA -0.649 61.549 62.100 0.162 0.000 0.977 541 T CB 1.464 70.419 68.868 0.145 0.000 0.979 541 T HN -0.046 nan 8.240 nan 0.000 0.446 542 A N 4.831 127.631 122.820 -0.034 0.000 2.527 542 A HA 0.835 5.153 4.320 -0.003 0.000 0.293 542 A C -0.855 176.875 177.584 0.242 0.000 1.117 542 A CA -1.037 50.991 52.037 -0.016 0.000 0.723 542 A CB 1.973 20.614 19.000 -0.598 0.000 1.313 542 A HN 0.972 nan 8.150 nan 0.000 0.411 543 M N 1.759 121.494 119.600 0.224 0.000 2.364 543 M HA 0.718 5.196 4.480 -0.003 0.000 0.334 543 M C -1.235 175.182 176.300 0.196 0.000 1.107 543 M CA -0.517 54.826 55.300 0.071 0.000 0.988 543 M CB 1.480 33.789 32.600 -0.484 0.000 1.673 543 M HN 0.840 nan 8.290 nan 0.000 0.441 544 M N 7.270 127.050 119.600 0.300 0.000 2.321 544 M HA 0.684 5.162 4.480 -0.003 0.000 0.315 544 M C -1.950 174.597 176.300 0.412 0.000 1.052 544 M CA -0.713 54.822 55.300 0.392 0.000 0.936 544 M CB 1.564 34.420 32.600 0.427 0.000 1.639 544 M HN 0.841 nan 8.290 nan 0.000 0.433 545 L N 1.438 122.879 121.223 0.364 0.000 2.720 545 L HA 0.756 5.095 4.340 -0.003 0.000 0.261 545 L C -0.702 176.327 176.870 0.266 0.000 1.046 545 L CA -0.949 54.050 54.840 0.265 0.000 0.886 545 L CB 1.729 43.877 42.059 0.148 0.000 1.493 545 L HN 0.717 nan 8.230 nan 0.000 0.407 546 S N -0.997 114.807 115.700 0.174 0.000 2.632 546 S HA 0.299 4.767 4.470 -0.003 0.000 0.267 546 S C 0.876 175.592 174.600 0.194 0.000 1.276 546 S CA 0.228 58.524 58.200 0.159 0.000 0.998 546 S CB 1.247 64.497 63.200 0.083 0.000 0.953 546 S HN 0.736 nan 8.310 nan 0.000 0.547 547 T N 1.393 116.100 114.554 0.254 0.000 2.665 547 T HA -0.144 4.204 4.350 -0.003 0.000 0.268 547 T C 1.175 175.898 174.700 0.039 0.000 1.035 547 T CA 1.940 64.175 62.100 0.225 0.000 1.151 547 T CB -0.718 68.335 68.868 0.308 0.000 0.862 547 T HN 0.669 nan 8.240 nan 0.000 0.438 548 D N 0.838 121.260 120.400 0.037 0.000 2.104 548 D HA -0.080 4.559 4.640 -0.003 0.000 0.194 548 D C 2.406 178.678 176.300 -0.047 0.000 0.994 548 D CA 1.421 55.417 54.000 -0.007 0.000 0.830 548 D CB -0.643 40.156 40.800 -0.003 0.000 0.959 548 D HN 0.344 nan 8.370 nan 0.000 0.452 549 T N 1.451 115.977 114.554 -0.046 0.000 2.746 549 T HA -0.085 4.263 4.350 -0.003 0.000 0.267 549 T C 2.078 176.705 174.700 -0.122 0.000 1.039 549 T CA 0.286 62.333 62.100 -0.089 0.000 1.142 549 T CB -0.299 68.530 68.868 -0.066 0.000 0.866 549 T HN 0.117 nan 8.240 nan 0.000 0.444 550 L N 0.533 121.686 121.223 -0.117 0.000 2.042 550 L HA -0.081 4.258 4.340 -0.003 0.000 0.210 550 L C 2.428 179.214 176.870 -0.140 0.000 1.076 550 L CA 1.415 56.163 54.840 -0.154 0.000 0.749 550 L CB -0.459 41.390 42.059 -0.350 0.000 0.893 550 L HN 0.319 nan 8.230 nan 0.000 0.432 551 L N -0.420 120.714 121.223 -0.148 0.000 1.997 551 L HA -0.303 4.035 4.340 -0.003 0.000 0.216 551 L C 2.722 179.553 176.870 -0.065 0.000 1.074 551 L CA 2.368 57.149 54.840 -0.099 0.000 0.763 551 L CB -0.833 41.187 42.059 -0.065 0.000 0.890 551 L HN 0.486 nan 8.230 nan 0.000 0.434 552 T N -3.655 110.840 114.554 -0.099 0.000 2.904 552 T HA -0.138 4.210 4.350 -0.003 0.000 0.267 552 T C 1.734 176.325 174.700 -0.182 0.000 1.059 552 T CA 0.859 62.880 62.100 -0.133 0.000 1.137 552 T CB -0.200 68.564 68.868 -0.173 0.000 0.879 552 T HN 0.202 nan 8.240 nan 0.000 0.467 553 M N 0.285 119.773 119.600 -0.187 0.000 2.319 553 M HA 0.252 4.730 4.480 -0.003 0.000 0.265 553 M C 2.080 178.522 176.300 0.237 0.000 1.068 553 M CA 1.038 56.249 55.300 -0.149 0.000 1.118 553 M CB -0.312 32.104 32.600 -0.306 0.000 1.395 553 M HN 0.231 nan 8.290 nan 0.000 0.435 554 L N -0.629 120.698 121.223 0.174 0.000 2.162 554 L HA -0.042 4.296 4.340 -0.003 0.000 0.205 554 L C 0.902 177.849 176.870 0.128 0.000 1.086 554 L CA 0.594 55.534 54.840 0.167 0.000 0.778 554 L CB -0.191 41.904 42.059 0.061 0.000 0.928 554 L HN 0.266 nan 8.230 nan 0.000 0.446 555 N N 0.600 119.349 118.700 0.081 0.000 2.904 555 N HA 0.204 4.942 4.740 -0.003 0.000 0.257 555 N C -2.562 172.973 175.510 0.042 0.000 1.363 555 N CA -2.062 51.025 53.050 0.061 0.000 0.856 555 N CB 0.706 39.217 38.487 0.039 0.000 1.166 555 N HN -0.104 nan 8.380 nan 0.000 0.499 556 P HA 0.123 nan 4.420 nan 0.000 0.272 556 P C -0.149 177.172 177.300 0.034 0.000 1.223 556 P CA -0.062 63.072 63.100 0.058 0.000 0.784 556 P CB 1.206 33.067 31.700 0.267 0.000 0.923 557 T N 1.624 116.173 114.554 -0.008 0.000 2.949 557 T HA 0.378 4.726 4.350 -0.003 0.000 0.287 557 T C -1.424 173.284 174.700 0.012 0.000 1.034 557 T CA -2.284 59.814 62.100 -0.003 0.000 1.018 557 T CB 0.689 69.541 68.868 -0.027 0.000 1.135 557 T HN 0.237 nan 8.240 nan 0.000 0.532 558 P HA -0.036 nan 4.420 nan 0.000 0.216 558 P C -0.059 177.253 177.300 0.021 0.000 1.150 558 P CA 1.261 64.377 63.100 0.026 0.000 0.843 558 P CB 0.199 31.913 31.700 0.024 0.000 0.787 559 D N 0.098 120.496 120.400 -0.002 0.000 2.736 559 D HA 0.180 4.819 4.640 -0.003 0.000 0.293 559 D C -0.277 175.983 176.300 -0.066 0.000 1.241 559 D CA 0.154 54.144 54.000 -0.016 0.000 0.965 559 D CB 0.409 41.201 40.800 -0.014 0.000 0.992 559 D HN -0.002 nan 8.370 nan 0.000 0.510 560 T N 0.684 115.175 114.554 -0.105 0.000 2.807 560 T HA 0.568 4.917 4.350 -0.003 0.000 0.279 560 T C 0.099 174.543 174.700 -0.427 0.000 0.993 560 T CA -0.518 61.409 62.100 -0.289 0.000 0.970 560 T CB 1.969 70.593 68.868 -0.407 0.000 0.950 560 T HN 0.213 nan 8.240 nan 0.000 0.441 561 A N 2.149 124.723 122.820 -0.409 0.000 2.293 561 A HA 0.621 4.939 4.320 -0.003 0.000 0.302 561 A C -0.622 176.681 177.584 -0.467 0.000 1.119 561 A CA -0.734 51.125 52.037 -0.297 0.000 0.823 561 A CB 0.482 19.412 19.000 -0.117 0.000 1.097 561 A HN 1.052 nan 8.150 nan 0.000 0.491 562 W N 0.445 121.842 121.300 0.162 0.000 2.390 562 W HA 0.330 4.987 4.660 -0.005 0.000 0.397 562 W C -0.366 176.282 176.519 0.213 0.000 0.839 562 W CA -0.099 57.420 57.345 0.289 0.000 2.576 562 W CB 0.498 30.237 29.460 0.465 0.000 1.346 562 W HN 0.846 nan 8.180 nan 0.000 0.708 563 D N -2.668 117.789 120.400 0.095 0.000 2.582 563 D HA 0.030 4.668 4.640 -0.003 0.000 0.246 563 D C 0.553 176.634 176.300 -0.365 0.000 1.334 563 D CA -0.071 53.796 54.000 -0.222 0.000 0.805 563 D CB -0.503 40.212 40.800 -0.142 0.000 1.087 563 D HN -0.113 nan 8.370 nan 0.000 0.499 564 N N 0.690 119.261 118.700 -0.215 0.000 2.327 564 N HA 0.179 4.917 4.740 -0.003 0.000 0.231 564 N C -0.730 174.639 175.510 -0.236 0.000 1.130 564 N CA -0.086 52.825 53.050 -0.232 0.000 0.845 564 N CB 0.213 38.611 38.487 -0.149 0.000 1.073 564 N HN 0.411 nan 8.380 nan 0.000 0.496 565 F N -1.370 118.411 119.950 -0.281 0.000 2.598 565 F HA 0.588 5.112 4.527 -0.006 0.000 0.327 565 F C -0.803 174.789 175.800 -0.347 0.000 1.057 565 F CA -1.573 56.255 58.000 -0.287 0.000 0.957 565 F CB 0.550 39.451 39.000 -0.165 0.000 1.278 565 F HN -0.221 nan 8.300 nan 0.000 0.484 566 Y N 2.134 122.575 120.300 0.236 0.000 2.328 566 Y HA 0.485 5.034 4.550 -0.002 0.000 0.337 566 Y C -0.169 175.906 175.900 0.291 0.000 1.008 566 Y CA -0.873 57.318 58.100 0.150 0.000 1.129 566 Y CB 1.564 40.084 38.460 0.101 0.000 1.185 566 Y HN 0.580 nan 8.280 nan 0.000 0.476 567 L N 5.578 127.032 121.223 0.384 0.000 2.276 567 L HA 0.465 4.803 4.340 -0.003 0.000 0.286 567 L C -1.124 175.899 176.870 0.255 0.000 1.061 567 L CA -0.388 54.664 54.840 0.354 0.000 0.807 567 L CB 0.445 42.699 42.059 0.324 0.000 1.177 567 L HN 0.624 nan 8.230 nan 0.000 0.429 568 L N 5.674 127.043 121.223 0.243 0.000 2.334 568 L HA 0.699 5.037 4.340 -0.003 0.000 0.273 568 L C -0.391 176.625 176.870 0.243 0.000 1.013 568 L CA -0.739 54.228 54.840 0.212 0.000 0.816 568 L CB 1.988 44.183 42.059 0.227 0.000 1.278 568 L HN 0.598 nan 8.230 nan 0.000 0.431 569 R N 2.077 122.711 120.500 0.223 0.000 2.725 569 R HA 0.492 4.830 4.340 -0.003 0.000 0.254 569 R C -0.541 175.842 176.300 0.138 0.000 1.076 569 R CA 0.231 56.458 56.100 0.212 0.000 0.940 569 R CB 1.620 32.022 30.300 0.169 0.000 1.260 569 R HN 0.792 nan 8.270 nan 0.000 0.466 570 A N 1.934 124.813 122.820 0.099 0.000 2.832 570 A HA -0.121 4.197 4.320 -0.003 0.000 0.280 570 A C 1.111 178.722 177.584 0.046 0.000 1.464 570 A CA 1.948 54.015 52.037 0.050 0.000 0.804 570 A CB -2.264 16.767 19.000 0.051 0.000 1.020 570 A HN 2.284 nan 8.150 nan 0.000 0.563 571 G N -2.454 106.378 108.800 0.054 0.000 2.160 571 G HA2 -0.147 3.811 3.960 -0.003 0.000 0.251 571 G HA3 -0.147 3.811 3.960 -0.003 0.000 0.251 571 G C -0.280 174.694 174.900 0.124 0.000 1.008 571 G CA 0.841 45.989 45.100 0.079 0.000 0.724 571 G HN 1.233 nan 8.290 nan 0.000 0.514 572 E N -0.504 119.756 120.200 0.100 0.000 2.293 572 E HA 0.311 4.659 4.350 -0.003 0.000 0.270 572 E C -0.635 175.978 176.600 0.023 0.000 0.879 572 E CA -1.142 55.297 56.400 0.065 0.000 0.756 572 E CB 1.236 30.974 29.700 0.062 0.000 1.208 572 E HN 0.130 nan 8.360 nan 0.000 0.428 573 N N 1.757 120.419 118.700 -0.063 0.000 2.421 573 N HA 0.078 4.816 4.740 -0.003 0.000 0.260 573 N C -0.692 174.840 175.510 0.038 0.000 1.173 573 N CA 0.055 53.079 53.050 -0.044 0.000 0.960 573 N CB 0.213 38.609 38.487 -0.151 0.000 1.273 573 N HN 0.125 nan 8.380 nan 0.000 0.497 574 V N 1.782 121.744 119.914 0.080 0.000 3.003 574 V HA 0.159 4.277 4.120 -0.003 0.000 0.305 574 V C 0.920 177.055 176.094 0.069 0.000 1.078 574 V CA -0.675 61.672 62.300 0.080 0.000 1.083 574 V CB 1.361 33.246 31.823 0.104 0.000 1.039 574 V HN 0.648 nan 8.190 nan 0.000 0.481 575 S N 1.140 116.868 115.700 0.047 0.000 2.545 575 S HA 0.226 4.694 4.470 -0.003 0.000 0.275 575 S C 0.920 175.529 174.600 0.015 0.000 1.299 575 S CA 0.037 58.251 58.200 0.023 0.000 1.048 575 S CB 0.780 63.988 63.200 0.015 0.000 0.938 575 S HN 1.015 nan 8.310 nan 0.000 0.496 576 T N 1.877 116.416 114.554 -0.026 0.000 3.044 576 T HA 0.493 4.841 4.350 -0.003 0.000 0.260 576 T C 0.500 175.163 174.700 -0.063 0.000 1.019 576 T CA 0.014 62.084 62.100 -0.050 0.000 0.921 576 T CB 0.079 68.855 68.868 -0.153 0.000 1.053 576 T HN 0.680 nan 8.240 nan 0.000 0.533 577 A N 1.549 124.340 122.820 -0.048 0.000 2.407 577 A HA 0.506 4.824 4.320 -0.003 0.000 0.248 577 A C 0.727 178.296 177.584 -0.025 0.000 1.082 577 A CA -0.249 51.765 52.037 -0.038 0.000 0.785 577 A CB -0.143 18.839 19.000 -0.029 0.000 1.020 577 A HN 0.539 nan 8.150 nan 0.000 0.489 578 Q N -1.969 117.816 119.800 -0.025 0.000 2.506 578 Q HA -0.215 4.124 4.340 -0.003 0.000 0.268 578 Q C -0.700 175.285 176.000 -0.025 0.000 1.002 578 Q CA 1.183 56.974 55.803 -0.021 0.000 1.052 578 Q CB -1.871 26.858 28.738 -0.014 0.000 1.383 578 Q HN 0.817 nan 8.270 nan 0.000 0.537 579 I N 0.126 120.676 120.570 -0.034 0.000 2.611 579 I HA 0.291 4.460 4.170 -0.003 0.000 0.287 579 I C -0.275 175.797 176.117 -0.074 0.000 1.184 579 I CA -0.227 61.046 61.300 -0.045 0.000 1.054 579 I CB 1.740 39.725 38.000 -0.024 0.000 1.257 579 I HN 0.158 nan 8.210 nan 0.000 0.435 580 S N 7.163 122.804 115.700 -0.099 0.000 2.549 580 S HA 0.378 4.847 4.470 -0.003 0.000 0.283 580 S C -1.911 172.526 174.600 -0.271 0.000 1.320 580 S CA -0.573 57.540 58.200 -0.145 0.000 1.058 580 S CB 0.709 63.826 63.200 -0.139 0.000 0.882 580 S HN 0.566 nan 8.310 nan 0.000 0.498 581 P HA -0.172 nan 4.420 nan 0.000 0.216 581 P C 1.665 178.266 177.300 -1.164 0.000 1.154 581 P CA 1.202 63.863 63.100 -0.732 0.000 0.865 581 P CB -0.330 31.113 31.700 -0.428 0.000 0.789 582 V N -0.277 119.058 119.914 -0.965 0.000 2.231 582 V HA -0.342 3.776 4.120 -0.003 0.000 0.250 582 V C 2.734 178.592 176.094 -0.394 0.000 1.058 582 V CA 2.948 64.756 62.300 -0.820 0.000 1.022 582 V CB -2.310 29.113 31.823 -0.665 0.000 0.640 582 V HN 0.194 nan 8.190 nan 0.000 0.445 583 E N 0.457 120.482 120.200 -0.290 0.000 2.077 583 E HA -0.247 4.102 4.350 -0.003 0.000 0.193 583 E C 2.099 178.657 176.600 -0.070 0.000 0.989 583 E CA 1.754 58.071 56.400 -0.139 0.000 0.800 583 E CB -0.764 28.868 29.700 -0.113 0.000 0.746 583 E HN 0.537 nan 8.360 nan 0.000 0.452 584 L N -0.378 120.765 121.223 -0.134 0.000 1.989 584 L HA -0.056 4.282 4.340 -0.003 0.000 0.211 584 L C 2.373 179.370 176.870 0.210 0.000 1.071 584 L CA 2.148 57.002 54.840 0.023 0.000 0.749 584 L CB -0.658 41.392 42.059 -0.015 0.000 0.890 584 L HN 0.336 nan 8.230 nan 0.000 0.431 585 F N 0.279 120.305 119.950 0.127 0.000 2.134 585 F HA -0.154 4.371 4.527 -0.004 0.000 0.299 585 F C 2.818 178.674 175.800 0.093 0.000 1.097 585 F CA 1.613 59.713 58.000 0.167 0.000 1.264 585 F CB -1.301 37.731 39.000 0.053 0.000 1.001 585 F HN 0.184 nan 8.300 nan 0.000 0.479 586 R N -0.686 119.938 120.500 0.206 0.000 2.091 586 R HA -0.234 4.104 4.340 -0.003 0.000 0.238 586 R C 2.212 178.586 176.300 0.125 0.000 1.136 586 R CA 1.993 58.168 56.100 0.125 0.000 0.959 586 R CB -0.560 29.780 30.300 0.067 0.000 0.856 586 R HN 0.318 nan 8.270 nan 0.000 0.437 587 H N -0.499 118.586 119.070 0.024 0.000 2.448 587 H HA 0.054 4.607 4.556 -0.005 0.000 0.292 587 H C 0.851 176.136 175.328 -0.071 0.000 1.035 587 H CA 1.792 57.830 56.048 -0.017 0.000 1.349 587 H CB 0.472 30.225 29.762 -0.015 0.000 1.425 587 H HN 0.322 nan 8.280 nan 0.000 0.539 588 D N -1.631 118.690 120.400 -0.132 0.000 2.403 588 D HA 0.035 4.673 4.640 -0.003 0.000 0.280 588 D C -0.612 175.258 176.300 -0.717 0.000 1.091 588 D CA 0.219 53.918 54.000 -0.500 0.000 0.884 588 D CB 0.803 41.252 40.800 -0.584 0.000 1.427 588 D HN 0.180 nan 8.370 nan 0.000 0.504 589 F N 1.091 121.107 119.950 0.110 0.000 2.660 589 F HA 0.313 4.836 4.527 -0.006 0.000 0.352 589 F C -2.027 173.766 175.800 -0.012 0.000 1.257 589 F CA -1.763 56.279 58.000 0.070 0.000 1.200 589 F CB 1.931 41.068 39.000 0.229 0.000 1.473 589 F HN -0.242 nan 8.300 nan 0.000 0.561 590 P HA -0.210 nan 4.420 nan 0.000 0.216 590 P C 2.069 179.336 177.300 -0.055 0.000 1.150 590 P CA 1.005 64.104 63.100 -0.002 0.000 0.843 590 P CB 0.447 32.126 31.700 -0.036 0.000 0.787 591 V N -1.505 118.306 119.914 -0.173 0.000 2.407 591 V HA -0.225 3.893 4.120 -0.003 0.000 0.248 591 V C 1.869 177.790 176.094 -0.288 0.000 1.055 591 V CA 1.770 63.903 62.300 -0.278 0.000 1.049 591 V CB -1.014 30.541 31.823 -0.445 0.000 0.662 591 V HN -0.003 nan 8.190 nan 0.000 0.455 592 F N -1.262 118.567 119.950 -0.203 0.000 2.416 592 F HA 0.009 4.534 4.527 -0.005 0.000 0.296 592 F C 2.045 177.604 175.800 -0.402 0.000 1.099 592 F CA 0.837 58.535 58.000 -0.503 0.000 1.427 592 F CB -0.191 38.022 39.000 -1.312 0.000 1.079 592 F HN 0.221 nan 8.300 nan 0.000 0.536 593 L N 1.030 122.267 121.223 0.023 0.000 2.012 593 L HA -0.189 4.149 4.340 -0.003 0.000 0.210 593 L C 2.468 179.402 176.870 0.107 0.000 1.073 593 L CA 2.036 56.955 54.840 0.132 0.000 0.748 593 L CB -1.044 41.094 42.059 0.131 0.000 0.891 593 L HN 0.064 nan 8.230 nan 0.000 0.431 594 A N -0.548 122.306 122.820 0.058 0.000 1.883 594 A HA -0.141 4.178 4.320 -0.003 0.000 0.217 594 A C 2.455 180.086 177.584 0.079 0.000 1.186 594 A CA 2.099 54.169 52.037 0.057 0.000 0.624 594 A CB -1.298 17.720 19.000 0.030 0.000 0.822 594 A HN 0.601 nan 8.150 nan 0.000 0.444 595 A N -1.422 121.462 122.820 0.106 0.000 1.902 595 A HA -0.052 4.266 4.320 -0.003 0.000 0.217 595 A C 2.074 179.738 177.584 0.133 0.000 1.181 595 A CA 1.603 53.759 52.037 0.198 0.000 0.623 595 A CB -0.728 18.505 19.000 0.389 0.000 0.818 595 A HN 0.649 nan 8.150 nan 0.000 0.443 596 F N 1.448 121.223 119.950 -0.293 0.000 2.102 596 F HA -0.218 4.308 4.527 -0.001 0.000 0.298 596 F C 2.078 177.768 175.800 -0.183 0.000 1.105 596 F CA 2.125 59.785 58.000 -0.568 0.000 1.239 596 F CB -0.176 38.446 39.000 -0.629 0.000 0.991 596 F HN 0.216 nan 8.300 nan 0.000 0.474 597 N N 0.341 119.094 118.700 0.089 0.000 2.166 597 N HA -0.220 4.518 4.740 -0.003 0.000 0.186 597 N C 1.887 177.395 175.510 -0.003 0.000 1.019 597 N CA 1.291 54.373 53.050 0.053 0.000 0.856 597 N CB -0.719 37.830 38.487 0.104 0.000 0.993 597 N HN 0.537 nan 8.380 nan 0.000 0.426 598 Q N 0.969 120.778 119.800 0.015 0.000 2.050 598 Q HA -0.199 4.139 4.340 -0.003 0.000 0.202 598 Q C 2.038 178.038 176.000 -0.000 0.000 0.980 598 Q CA 1.439 57.251 55.803 0.015 0.000 0.840 598 Q CB -0.062 28.703 28.738 0.044 0.000 0.898 598 Q HN 0.421 nan 8.270 nan 0.000 0.424 599 Q N -0.434 119.369 119.800 0.005 0.000 2.061 599 Q HA -0.210 4.129 4.340 -0.003 0.000 0.204 599 Q C 1.953 177.910 176.000 -0.071 0.000 0.984 599 Q CA 1.575 57.382 55.803 0.008 0.000 0.846 599 Q CB -0.220 28.585 28.738 0.112 0.000 0.902 599 Q HN 0.499 nan 8.270 nan 0.000 0.421 600 A N 0.012 122.726 122.820 -0.177 0.000 1.877 600 A HA -0.185 4.133 4.320 -0.003 0.000 0.216 600 A C 2.238 179.807 177.584 -0.027 0.000 1.186 600 A CA 2.020 53.972 52.037 -0.141 0.000 0.620 600 A CB -1.067 17.827 19.000 -0.178 0.000 0.822 600 A HN 0.497 nan 8.150 nan 0.000 0.443 601 T N -0.632 113.927 114.554 0.008 0.000 2.788 601 T HA -0.168 4.181 4.350 -0.003 0.000 0.268 601 T C 2.114 176.860 174.700 0.077 0.000 1.044 601 T CA 1.808 63.949 62.100 0.069 0.000 1.139 601 T CB -0.213 68.683 68.868 0.046 0.000 0.867 601 T HN 0.570 nan 8.240 nan 0.000 0.454 602 Q N 1.238 121.055 119.800 0.028 0.000 2.119 602 Q HA 0.022 4.360 4.340 -0.003 0.000 0.201 602 Q C 2.270 178.321 176.000 0.085 0.000 0.972 602 Q CA 1.440 57.268 55.803 0.042 0.000 0.847 602 Q CB -0.245 28.495 28.738 0.003 0.000 0.903 602 Q HN 0.429 nan 8.270 nan 0.000 0.433 603 R N -0.397 120.127 120.500 0.040 0.000 2.073 603 R HA -0.096 4.242 4.340 -0.003 0.000 0.234 603 R C 2.180 178.485 176.300 0.008 0.000 1.134 603 R CA 1.542 57.656 56.100 0.023 0.000 0.952 603 R CB -0.041 30.255 30.300 -0.006 0.000 0.850 603 R HN 0.207 nan 8.270 nan 0.000 0.433 604 R N -0.793 119.694 120.500 -0.022 0.000 2.075 604 R HA -0.117 4.222 4.340 -0.003 0.000 0.232 604 R C 2.224 178.486 176.300 -0.064 0.000 1.126 604 R CA 1.412 57.400 56.100 -0.186 0.000 0.963 604 R CB -0.430 29.613 30.300 -0.429 0.000 0.858 604 R HN 0.201 nan 8.270 nan 0.000 0.435 605 F N 1.166 121.133 119.950 0.027 0.000 2.126 605 F HA -0.101 4.424 4.527 -0.003 0.000 0.299 605 F C 2.283 178.163 175.800 0.133 0.000 1.096 605 F CA 1.716 59.816 58.000 0.166 0.000 1.255 605 F CB -0.696 38.374 39.000 0.116 0.000 0.997 605 F HN 0.033 nan 8.300 nan 0.000 0.479 606 G N -0.556 108.350 108.800 0.177 0.000 2.440 606 G HA2 -0.277 3.681 3.960 -0.003 0.000 0.218 606 G HA3 -0.277 3.681 3.960 -0.003 0.000 0.218 606 G C 1.561 176.469 174.900 0.013 0.000 1.154 606 G CA 0.986 46.142 45.100 0.093 0.000 0.767 606 G HN 0.429 nan 8.290 nan 0.000 0.552 607 E N -0.393 119.796 120.200 -0.018 0.000 2.085 607 E HA -0.123 4.225 4.350 -0.003 0.000 0.194 607 E C 2.382 178.949 176.600 -0.055 0.000 0.994 607 E CA 0.856 57.223 56.400 -0.054 0.000 0.801 607 E CB -0.203 29.439 29.700 -0.095 0.000 0.743 607 E HN 0.335 nan 8.360 nan 0.000 0.453 608 L N 1.184 122.384 121.223 -0.039 0.000 2.042 608 L HA -0.177 4.161 4.340 -0.003 0.000 0.210 608 L C 2.035 178.898 176.870 -0.012 0.000 1.076 608 L CA 1.539 56.390 54.840 0.019 0.000 0.749 608 L CB -0.318 41.815 42.059 0.122 0.000 0.893 608 L HN 0.140 nan 8.230 nan 0.000 0.432 609 I N -0.296 120.235 120.570 -0.066 0.000 2.194 609 I HA -0.331 3.837 4.170 -0.003 0.000 0.246 609 I C 2.021 178.089 176.117 -0.080 0.000 1.093 609 I CA 1.578 62.848 61.300 -0.049 0.000 1.355 609 I CB -0.577 37.440 38.000 0.029 0.000 1.046 609 I HN 0.318 nan 8.210 nan 0.000 0.413 610 D N 0.752 121.118 120.400 -0.057 0.000 2.178 610 D HA -0.113 4.525 4.640 -0.003 0.000 0.202 610 D C 2.252 178.492 176.300 -0.100 0.000 0.974 610 D CA 1.247 55.206 54.000 -0.068 0.000 0.841 610 D CB -0.104 40.666 40.800 -0.051 0.000 0.953 610 D HN 0.368 nan 8.370 nan 0.000 0.478 611 I N 0.558 121.067 120.570 -0.101 0.000 2.202 611 I HA -0.227 3.942 4.170 -0.003 0.000 0.242 611 I C 2.358 178.396 176.117 -0.131 0.000 1.091 611 I CA 0.825 62.049 61.300 -0.126 0.000 1.368 611 I CB -0.072 37.870 38.000 -0.096 0.000 1.058 611 I HN -0.065 nan 8.210 nan 0.000 0.410 612 I N -0.037 120.438 120.570 -0.158 0.000 2.193 612 I HA -0.165 4.003 4.170 -0.003 0.000 0.240 612 I C 0.330 176.207 176.117 -0.401 0.000 1.084 612 I CA 1.073 62.159 61.300 -0.356 0.000 1.365 612 I CB 0.062 37.744 38.000 -0.530 0.000 1.064 612 I HN 0.053 nan 8.210 nan 0.000 0.410 613 L N 1.310 122.340 121.223 -0.321 0.000 2.337 613 L HA 0.244 4.582 4.340 -0.003 0.000 0.269 613 L C 0.335 177.154 176.870 -0.086 0.000 1.018 613 L CA -0.259 54.443 54.840 -0.230 0.000 0.876 613 L CB 1.042 42.896 42.059 -0.342 0.000 1.236 613 L HN 0.051 nan 8.230 nan 0.000 0.436 614 S N -0.766 114.913 115.700 -0.034 0.000 2.560 614 S HA 0.061 4.530 4.470 -0.003 0.000 0.284 614 S C 1.425 175.994 174.600 -0.051 0.000 1.327 614 S CA -0.005 58.158 58.200 -0.063 0.000 1.055 614 S CB 0.858 64.002 63.200 -0.093 0.000 0.868 614 S HN 0.745 nan 8.310 nan 0.000 0.506 615 T N -1.511 113.015 114.554 -0.048 0.000 2.962 615 T HA 0.037 4.385 4.350 -0.003 0.000 0.270 615 T C 1.651 176.320 174.700 -0.051 0.000 1.088 615 T CA 1.051 63.132 62.100 -0.032 0.000 1.127 615 T CB -0.827 68.028 68.868 -0.020 0.000 0.883 615 T HN 0.873 nan 8.240 nan 0.000 0.493 616 E N 1.897 122.050 120.200 -0.078 0.000 2.230 616 E HA -0.018 4.330 4.350 -0.003 0.000 0.192 616 E C 2.071 178.586 176.600 -0.142 0.000 0.987 616 E CA 0.848 57.194 56.400 -0.090 0.000 0.841 616 E CB -0.400 29.251 29.700 -0.082 0.000 0.783 616 E HN 0.833 nan 8.360 nan 0.000 0.481 617 E N -0.343 119.716 120.200 -0.235 0.000 2.162 617 E HA 0.053 4.401 4.350 -0.003 0.000 0.193 617 E C 0.217 176.523 176.600 -0.490 0.000 0.953 617 E CA 0.671 56.813 56.400 -0.430 0.000 0.849 617 E CB 0.017 29.307 29.700 -0.685 0.000 0.810 617 E HN 0.759 nan 8.360 nan 0.000 0.470 618 H N 0.253 119.278 119.070 -0.075 0.000 2.429 618 H HA 0.357 4.911 4.556 -0.003 0.000 0.237 618 H C 1.199 176.496 175.328 -0.051 0.000 1.378 618 H CA -0.097 55.907 56.048 -0.074 0.000 1.170 618 H CB 0.805 30.496 29.762 -0.119 0.000 1.671 618 H HN 0.186 nan 8.280 nan 0.000 0.541 619 G N 0.689 109.510 108.800 0.035 0.000 2.446 619 G HA2 -0.333 3.625 3.960 -0.003 0.000 0.217 619 G HA3 -0.333 3.625 3.960 -0.003 0.000 0.217 619 G C 1.484 176.419 174.900 0.058 0.000 1.168 619 G CA 0.944 46.063 45.100 0.032 0.000 0.771 619 G HN 0.548 nan 8.290 nan 0.000 0.551 620 E N -0.092 120.144 120.200 0.061 0.000 2.038 620 E HA -0.085 4.263 4.350 -0.003 0.000 0.195 620 E C 2.578 179.234 176.600 0.094 0.000 1.000 620 E CA 0.799 57.239 56.400 0.067 0.000 0.803 620 E CB -0.240 29.491 29.700 0.052 0.000 0.750 620 E HN 0.439 nan 8.360 nan 0.000 0.448 621 L N 1.243 122.521 121.223 0.092 0.000 2.046 621 L HA -0.206 4.132 4.340 -0.003 0.000 0.208 621 L C 2.751 179.744 176.870 0.204 0.000 1.077 621 L CA 1.162 56.080 54.840 0.129 0.000 0.747 621 L CB -0.684 41.387 42.059 0.020 0.000 0.896 621 L HN 0.346 nan 8.230 nan 0.000 0.432 622 N N 0.101 118.860 118.700 0.098 0.000 2.069 622 N HA -0.282 4.457 4.740 -0.003 0.000 0.191 622 N C 1.937 177.563 175.510 0.193 0.000 1.031 622 N CA 1.780 54.888 53.050 0.098 0.000 0.852 622 N CB 0.042 38.554 38.487 0.041 0.000 1.018 622 N HN 0.249 nan 8.380 nan 0.000 0.423 623 Q N 0.934 120.830 119.800 0.159 0.000 2.084 623 Q HA -0.055 4.283 4.340 -0.003 0.000 0.202 623 Q C 2.088 178.222 176.000 0.222 0.000 0.978 623 Q CA 1.593 57.493 55.803 0.161 0.000 0.844 623 Q CB -0.254 28.552 28.738 0.112 0.000 0.898 623 Q HN 0.502 nan 8.270 nan 0.000 0.426 624 Q N -1.439 118.513 119.800 0.252 0.000 2.119 624 Q HA -0.115 4.223 4.340 -0.003 0.000 0.201 624 Q C 1.731 178.027 176.000 0.492 0.000 0.972 624 Q CA 1.209 57.197 55.803 0.310 0.000 0.847 624 Q CB -0.109 28.756 28.738 0.213 0.000 0.903 624 Q HN 0.337 nan 8.270 nan 0.000 0.433 625 F N 0.280 120.446 119.950 0.360 0.000 2.186 625 F HA -0.191 4.334 4.527 -0.003 0.000 0.299 625 F C 2.073 178.157 175.800 0.473 0.000 1.090 625 F CA 0.821 59.107 58.000 0.477 0.000 1.307 625 F CB -0.181 38.950 39.000 0.219 0.000 1.019 625 F HN 0.122 nan 8.300 nan 0.000 0.489 626 L N -0.158 121.353 121.223 0.479 0.000 2.027 626 L HA -0.155 4.183 4.340 -0.003 0.000 0.206 626 L C 2.463 179.480 176.870 0.246 0.000 1.074 626 L CA 2.063 57.098 54.840 0.324 0.000 0.745 626 L CB -1.323 40.869 42.059 0.222 0.000 0.898 626 L HN 0.171 nan 8.230 nan 0.000 0.433 627 A N -0.288 122.673 122.820 0.236 0.000 1.933 627 A HA -0.139 4.179 4.320 -0.003 0.000 0.218 627 A C 2.402 180.088 177.584 0.170 0.000 1.175 627 A CA 1.649 53.791 52.037 0.174 0.000 0.628 627 A CB -0.716 18.386 19.000 0.169 0.000 0.814 627 A HN 0.539 nan 8.150 nan 0.000 0.444 628 A N -0.178 122.790 122.820 0.247 0.000 2.070 628 A HA -0.071 4.247 4.320 -0.003 0.000 0.220 628 A C 2.297 180.008 177.584 0.213 0.000 1.159 628 A CA 2.210 54.375 52.037 0.214 0.000 0.656 628 A CB -1.275 17.805 19.000 0.133 0.000 0.800 628 A HN 0.807 nan 8.150 nan 0.000 0.453 629 T N -1.014 113.547 114.554 0.012 0.000 3.035 629 T HA -0.109 4.239 4.350 -0.003 0.000 0.268 629 T C 0.973 175.424 174.700 -0.415 0.000 1.109 629 T CA 1.246 63.033 62.100 -0.522 0.000 1.119 629 T CB -0.657 67.914 68.868 -0.496 0.000 0.900 629 T HN 0.702 nan 8.240 nan 0.000 0.503 630 N N 0.013 118.640 118.700 -0.121 0.000 2.235 630 N HA 0.204 4.943 4.740 -0.003 0.000 0.209 630 N C 0.085 175.597 175.510 0.004 0.000 1.122 630 N CA -0.507 52.496 53.050 -0.078 0.000 0.845 630 N CB 0.242 38.708 38.487 -0.036 0.000 1.004 630 N HN 0.456 nan 8.380 nan 0.000 0.499 631 Q N -1.312 118.534 119.800 0.077 0.000 2.421 631 Q HA 0.478 4.816 4.340 -0.003 0.000 0.280 631 Q C 0.344 176.452 176.000 0.180 0.000 1.085 631 Q CA -0.580 55.294 55.803 0.117 0.000 0.807 631 Q CB 1.803 30.605 28.738 0.107 0.000 1.405 631 Q HN 0.187 nan 8.270 nan 0.000 0.419 632 K N 0.642 121.107 120.400 0.109 0.000 2.217 632 K HA -0.007 4.311 4.320 -0.003 0.000 0.202 632 K C 0.099 176.458 176.600 -0.402 0.000 1.051 632 K CA 1.624 57.857 56.287 -0.091 0.000 0.952 632 K CB -0.143 32.308 32.500 -0.082 0.000 0.736 632 K HN 0.585 nan 8.250 nan 0.000 0.453 633 H N -2.306 116.738 119.070 -0.043 0.000 2.855 633 H HA 0.660 5.215 4.556 -0.003 0.000 0.363 633 H C -1.080 174.226 175.328 -0.037 0.000 1.185 633 H CA -0.591 55.416 56.048 -0.068 0.000 1.174 633 H CB 2.183 31.914 29.762 -0.052 0.000 1.857 633 H HN 0.163 nan 8.280 nan 0.000 0.565 634 S N -0.658 115.094 115.700 0.087 0.000 2.541 634 S HA 0.274 4.742 4.470 -0.003 0.000 0.280 634 S C 0.636 175.292 174.600 0.094 0.000 1.112 634 S CA -0.123 58.124 58.200 0.077 0.000 0.925 634 S CB 0.952 64.169 63.200 0.028 0.000 1.067 634 S HN 0.846 nan 8.310 nan 0.000 0.479 635 T N 0.710 115.323 114.554 0.099 0.000 3.065 635 T HA 0.230 4.578 4.350 -0.003 0.000 0.252 635 T C 0.399 175.158 174.700 0.099 0.000 1.099 635 T CA 0.183 62.331 62.100 0.080 0.000 1.063 635 T CB -0.180 68.725 68.868 0.061 0.000 0.948 635 T HN 0.327 nan 8.240 nan 0.000 0.506 636 V N 2.804 122.811 119.914 0.155 0.000 2.432 636 V HA 0.454 4.573 4.120 -0.003 0.000 0.271 636 V C -0.281 175.947 176.094 0.223 0.000 1.046 636 V CA -0.659 61.745 62.300 0.173 0.000 0.945 636 V CB 0.904 32.862 31.823 0.225 0.000 0.992 636 V HN 0.274 nan 8.190 nan 0.000 0.471 637 K N 5.890 126.363 120.400 0.122 0.000 2.463 637 K HA 0.502 4.820 4.320 -0.003 0.000 0.255 637 K C -0.656 175.968 176.600 0.040 0.000 0.942 637 K CA -0.413 55.943 56.287 0.115 0.000 0.814 637 K CB 2.218 34.763 32.500 0.076 0.000 1.122 637 K HN 0.515 nan 8.250 nan 0.000 0.425 638 L N 5.059 126.293 121.223 0.019 0.000 2.865 638 L HA 0.316 4.655 4.340 -0.003 0.000 0.233 638 L C 1.157 178.028 176.870 0.002 0.000 1.320 638 L CA 0.033 54.840 54.840 -0.055 0.000 1.225 638 L CB -0.562 41.382 42.059 -0.190 0.000 1.542 638 L HN 0.583 nan 8.230 nan 0.000 0.432 639 I N -3.810 116.771 120.570 0.017 0.000 4.327 639 I HA 0.176 4.344 4.170 -0.003 0.000 0.331 639 I C 0.667 176.796 176.117 0.019 0.000 1.348 639 I CA -0.504 60.811 61.300 0.026 0.000 1.152 639 I CB 0.232 38.255 38.000 0.037 0.000 1.151 639 I HN 0.184 nan 8.210 nan 0.000 0.410 640 D N 1.700 122.108 120.400 0.012 0.000 2.362 640 D HA -0.098 4.540 4.640 -0.003 0.000 0.238 640 D C 0.008 176.313 176.300 0.008 0.000 1.212 640 D CA 0.027 54.033 54.000 0.010 0.000 0.902 640 D CB 1.097 41.901 40.800 0.007 0.000 1.180 640 D HN 0.082 nan 8.370 nan 0.000 0.445 641 D N 0.871 121.276 120.400 0.009 0.000 2.123 641 D HA -0.158 4.480 4.640 -0.003 0.000 0.196 641 D C 1.968 178.272 176.300 0.007 0.000 0.992 641 D CA 1.970 55.975 54.000 0.008 0.000 0.833 641 D CB -0.426 40.379 40.800 0.008 0.000 0.954 641 D HN 0.619 nan 8.370 nan 0.000 0.455 642 A N 0.525 123.348 122.820 0.005 0.000 1.902 642 A HA -0.140 4.178 4.320 -0.003 0.000 0.217 642 A C 2.490 180.074 177.584 -0.000 0.000 1.181 642 A CA 1.767 53.806 52.037 0.004 0.000 0.623 642 A CB -0.485 18.517 19.000 0.004 0.000 0.818 642 A HN 0.149 nan 8.150 nan 0.000 0.443 643 S N -0.377 115.320 115.700 -0.005 0.000 2.356 643 S HA -0.128 4.340 4.470 -0.003 0.000 0.223 643 S C 1.914 176.512 174.600 -0.002 0.000 1.032 643 S CA 1.460 59.652 58.200 -0.014 0.000 1.005 643 S CB -0.490 62.693 63.200 -0.028 0.000 0.867 643 S HN 0.352 nan 8.310 nan 0.000 0.449 644 V N 1.370 121.287 119.914 0.006 0.000 2.343 644 V HA -0.158 3.960 4.120 -0.003 0.000 0.247 644 V C 2.580 178.684 176.094 0.016 0.000 1.051 644 V CA 1.990 64.299 62.300 0.015 0.000 1.036 644 V CB -0.894 30.938 31.823 0.016 0.000 0.654 644 V HN 0.558 nan 8.190 nan 0.000 0.451 645 S N -0.183 115.524 115.700 0.010 0.000 2.355 645 S HA -0.244 4.225 4.470 -0.003 0.000 0.222 645 S C 2.196 176.798 174.600 0.003 0.000 1.031 645 S CA 1.824 60.029 58.200 0.009 0.000 0.993 645 S CB -0.250 62.955 63.200 0.008 0.000 0.859 645 S HN 0.478 nan 8.310 nan 0.000 0.453 646 R N 1.037 121.533 120.500 -0.006 0.000 2.081 646 R HA 0.148 4.486 4.340 -0.003 0.000 0.235 646 R C 2.224 178.485 176.300 -0.065 0.000 1.131 646 R CA 1.578 57.659 56.100 -0.032 0.000 0.960 646 R CB -0.985 29.295 30.300 -0.033 0.000 0.856 646 R HN 0.514 nan 8.270 nan 0.000 0.436 647 L N -0.275 120.942 121.223 -0.009 0.000 2.093 647 L HA -0.066 4.272 4.340 -0.003 0.000 0.208 647 L C 2.447 179.380 176.870 0.106 0.000 1.085 647 L CA 1.272 56.158 54.840 0.077 0.000 0.755 647 L CB -0.667 41.467 42.059 0.125 0.000 0.904 647 L HN 0.297 nan 8.230 nan 0.000 0.435 648 A N -0.576 122.276 122.820 0.054 0.000 1.940 648 A HA -0.227 4.091 4.320 -0.003 0.000 0.219 648 A C 2.337 179.930 177.584 0.015 0.000 1.176 648 A CA 2.414 54.479 52.037 0.047 0.000 0.631 648 A CB -0.872 18.147 19.000 0.030 0.000 0.814 648 A HN 0.368 nan 8.150 nan 0.000 0.446 649 T N -0.490 114.052 114.554 -0.020 0.000 2.995 649 T HA 0.062 4.410 4.350 -0.003 0.000 0.269 649 T C 1.591 176.223 174.700 -0.113 0.000 1.091 649 T CA 1.291 63.364 62.100 -0.044 0.000 1.128 649 T CB -0.272 68.582 68.868 -0.023 0.000 0.891 649 T HN 0.462 nan 8.240 nan 0.000 0.492 650 I N -1.032 119.416 120.570 -0.204 0.000 2.729 650 I HA 0.127 4.295 4.170 -0.003 0.000 0.256 650 I C 1.488 177.284 176.117 -0.534 0.000 1.115 650 I CA 0.770 61.803 61.300 -0.444 0.000 1.446 650 I CB 0.052 37.616 38.000 -0.727 0.000 1.176 650 I HN 0.165 nan 8.210 nan 0.000 0.446 651 F N 1.020 120.818 119.950 -0.254 0.000 2.274 651 F HA -0.040 4.485 4.527 -0.003 0.000 0.288 651 F C 2.095 177.804 175.800 -0.150 0.000 1.069 651 F CA 0.629 58.464 58.000 -0.275 0.000 1.343 651 F CB -0.487 38.356 39.000 -0.262 0.000 1.089 651 F HN -0.042 nan 8.300 nan 0.000 0.517 652 D N 0.750 121.203 120.400 0.089 0.000 2.149 652 D HA -0.176 4.463 4.640 -0.003 0.000 0.194 652 D C -0.647 175.661 176.300 0.012 0.000 1.001 652 D CA 1.548 55.579 54.000 0.052 0.000 0.849 652 D CB -1.900 38.925 40.800 0.040 0.000 0.939 652 D HN 0.211 nan 8.370 nan 0.000 0.449 653 P HA -0.015 nan 4.420 nan 0.000 0.230 653 P C 1.077 178.354 177.300 -0.039 0.000 1.158 653 P CA 0.688 63.769 63.100 -0.033 0.000 0.769 653 P CB -0.026 31.643 31.700 -0.052 0.000 0.807 654 L N -1.779 119.400 121.223 -0.073 0.000 2.591 654 L HA 0.115 4.453 4.340 -0.003 0.000 0.228 654 L C 0.791 177.672 176.870 0.018 0.000 1.133 654 L CA 0.334 55.123 54.840 -0.085 0.000 0.880 654 L CB -0.317 41.552 42.059 -0.318 0.000 1.033 654 L HN -0.069 nan 8.230 nan 0.000 0.450 655 L N 1.470 122.717 121.223 0.040 0.000 2.732 655 L HA 0.341 4.680 4.340 -0.003 0.000 0.246 655 L C -2.318 174.578 176.870 0.045 0.000 1.407 655 L CA -1.530 53.346 54.840 0.061 0.000 0.861 655 L CB 0.310 42.418 42.059 0.082 0.000 1.161 655 L HN -0.126 nan 8.230 nan 0.000 0.510 656 P HA 0.054 nan 4.420 nan 0.000 0.264 656 P C 0.809 178.127 177.300 0.030 0.000 1.193 656 P CA 1.004 64.122 63.100 0.031 0.000 0.763 656 P CB 0.826 32.544 31.700 0.030 0.000 0.810 657 E N 1.855 122.069 120.200 0.024 0.000 2.805 657 E HA -0.244 4.104 4.350 -0.003 0.000 0.266 657 E C 1.161 177.777 176.600 0.028 0.000 1.092 657 E CA 2.134 58.546 56.400 0.021 0.000 0.781 657 E CB -2.618 27.093 29.700 0.018 0.000 1.379 657 E HN 1.105 nan 8.360 nan 0.000 0.433 658 G N -1.944 106.878 108.800 0.037 0.000 2.179 658 G HA2 -0.295 3.663 3.960 -0.003 0.000 0.260 658 G HA3 -0.295 3.663 3.960 -0.003 0.000 0.260 658 G C 0.408 175.338 174.900 0.050 0.000 0.977 658 G CA 0.971 46.101 45.100 0.050 0.000 0.641 658 G HN 1.052 nan 8.290 nan 0.000 0.533 659 K N -0.311 120.116 120.400 0.045 0.000 2.156 659 K HA 0.623 4.942 4.320 -0.003 0.000 0.254 659 K C 0.133 176.763 176.600 0.050 0.000 0.950 659 K CA -1.194 55.119 56.287 0.043 0.000 0.849 659 K CB 1.757 34.280 32.500 0.038 0.000 1.100 659 K HN 0.032 nan 8.250 nan 0.000 0.434 660 L N 2.496 123.750 121.223 0.051 0.000 2.640 660 L HA -0.077 4.261 4.340 -0.003 0.000 0.280 660 L C 0.348 177.287 176.870 0.115 0.000 1.229 660 L CA 0.818 55.721 54.840 0.105 0.000 0.919 660 L CB 0.239 42.364 42.059 0.109 0.000 1.168 660 L HN 0.711 nan 8.230 nan 0.000 0.496 661 S N 5.476 121.267 115.700 0.151 0.000 2.549 661 S HA 0.234 4.702 4.470 -0.003 0.000 0.283 661 S C -1.612 173.089 174.600 0.169 0.000 1.320 661 S CA -0.830 57.450 58.200 0.133 0.000 1.058 661 S CB 0.771 64.044 63.200 0.122 0.000 0.882 661 S HN 0.584 nan 8.310 nan 0.000 0.498 662 P HA -0.098 nan 4.420 nan 0.000 0.216 662 P C 1.675 179.052 177.300 0.128 0.000 1.153 662 P CA 1.989 65.174 63.100 0.142 0.000 0.858 662 P CB -0.230 31.521 31.700 0.084 0.000 0.789 663 A N -0.629 122.226 122.820 0.059 0.000 1.892 663 A HA -0.298 4.020 4.320 -0.003 0.000 0.218 663 A C 2.384 179.915 177.584 -0.088 0.000 1.188 663 A CA 1.940 53.943 52.037 -0.057 0.000 0.631 663 A CB -1.980 17.008 19.000 -0.021 0.000 0.822 663 A HN 0.270 nan 8.150 nan 0.000 0.447 664 H N -2.570 116.530 119.070 0.049 0.000 2.353 664 H HA -0.198 4.356 4.556 -0.003 0.000 0.300 664 H C 2.022 177.451 175.328 0.168 0.000 1.090 664 H CA 2.106 58.254 56.048 0.166 0.000 1.327 664 H CB -0.236 29.642 29.762 0.192 0.000 1.383 664 H HN 0.598 nan 8.280 nan 0.000 0.508 665 Y N 1.812 122.112 120.300 -0.000 0.000 2.207 665 Y HA -0.229 4.319 4.550 -0.003 0.000 0.287 665 Y C 2.503 178.361 175.900 -0.070 0.000 1.156 665 Y CA 1.660 59.735 58.100 -0.042 0.000 1.182 665 Y CB -0.267 38.202 38.460 0.016 0.000 0.979 665 Y HN 0.210 nan 8.280 nan 0.000 0.521 666 Q N -0.530 119.111 119.800 -0.264 0.000 2.119 666 Q HA -0.191 4.148 4.340 -0.003 0.000 0.201 666 Q C 2.139 177.985 176.000 -0.256 0.000 0.972 666 Q CA 2.046 57.645 55.803 -0.340 0.000 0.847 666 Q CB -0.704 27.890 28.738 -0.240 0.000 0.903 666 Q HN 0.758 nan 8.270 nan 0.000 0.433 667 H N 0.192 119.167 119.070 -0.158 0.000 2.352 667 H HA -0.069 4.486 4.556 -0.003 0.000 0.299 667 H C 2.197 177.429 175.328 -0.161 0.000 1.097 667 H CA 1.129 57.092 56.048 -0.142 0.000 1.311 667 H CB 0.013 29.710 29.762 -0.109 0.000 1.377 667 H HN 0.139 nan 8.280 nan 0.000 0.504 668 I N 0.519 121.031 120.570 -0.095 0.000 2.163 668 I HA -0.294 3.875 4.170 -0.003 0.000 0.243 668 I C 2.121 178.246 176.117 0.014 0.000 1.085 668 I CA 1.096 62.388 61.300 -0.014 0.000 1.347 668 I CB -0.260 37.714 38.000 -0.043 0.000 1.044 668 I HN 0.252 nan 8.210 nan 0.000 0.408 669 L N -0.141 120.975 121.223 -0.180 0.000 2.012 669 L HA -0.225 4.113 4.340 -0.003 0.000 0.210 669 L C 2.723 179.540 176.870 -0.088 0.000 1.073 669 L CA 1.435 56.175 54.840 -0.167 0.000 0.748 669 L CB -0.637 41.217 42.059 -0.341 0.000 0.891 669 L HN 0.221 nan 8.230 nan 0.000 0.431 670 S N -0.111 115.519 115.700 -0.117 0.000 2.368 670 S HA -0.164 4.304 4.470 -0.003 0.000 0.225 670 S C 2.160 176.589 174.600 -0.286 0.000 1.030 670 S CA 1.234 59.339 58.200 -0.159 0.000 0.999 670 S CB -0.268 62.875 63.200 -0.095 0.000 0.844 670 S HN 0.505 nan 8.310 nan 0.000 0.459 671 A N 0.025 122.738 122.820 -0.177 0.000 1.933 671 A HA -0.048 4.270 4.320 -0.003 0.000 0.218 671 A C 1.480 178.843 177.584 -0.368 0.000 1.175 671 A CA 1.216 53.096 52.037 -0.261 0.000 0.628 671 A CB -0.613 18.290 19.000 -0.161 0.000 0.814 671 A HN 0.602 nan 8.150 nan 0.000 0.444 672 Y N -1.134 119.122 120.300 -0.073 0.000 2.524 672 Y HA 0.235 4.784 4.550 -0.003 0.000 0.266 672 Y C 0.140 176.122 175.900 0.137 0.000 1.180 672 Y CA -0.095 58.047 58.100 0.071 0.000 1.244 672 Y CB -0.390 38.123 38.460 0.088 0.000 1.125 672 Y HN 0.581 nan 8.280 nan 0.000 0.524 673 H N -0.862 118.265 119.070 0.096 0.000 2.557 673 H HA -0.206 4.349 4.556 -0.002 0.000 0.319 673 H C 0.230 175.598 175.328 0.068 0.000 1.102 673 H CA 0.797 56.882 56.048 0.061 0.000 1.126 673 H CB -1.829 27.963 29.762 0.050 0.000 1.498 673 H HN 0.439 nan 8.280 nan 0.000 0.411 674 L N -0.218 121.077 121.223 0.121 0.000 2.857 674 L HA 0.088 4.426 4.340 -0.003 0.000 0.249 674 L C 2.021 178.906 176.870 0.025 0.000 1.172 674 L CA 0.653 55.542 54.840 0.082 0.000 0.980 674 L CB 0.202 42.307 42.059 0.076 0.000 1.299 674 L HN 0.536 nan 8.230 nan 0.000 0.535 675 T N -4.312 110.247 114.554 0.008 0.000 2.881 675 T HA -0.160 4.188 4.350 -0.003 0.000 0.270 675 T C 1.177 175.881 174.700 0.007 0.000 1.068 675 T CA 1.254 63.342 62.100 -0.020 0.000 1.131 675 T CB -0.068 68.785 68.868 -0.026 0.000 0.871 675 T HN 0.224 nan 8.240 nan 0.000 0.479 676 D N 1.255 121.672 120.400 0.029 0.000 2.369 676 D HA 0.423 5.061 4.640 -0.003 0.000 0.211 676 D C 0.983 177.303 176.300 0.033 0.000 1.077 676 D CA 0.077 54.095 54.000 0.030 0.000 0.842 676 D CB 0.421 41.242 40.800 0.034 0.000 0.947 676 D HN 0.582 nan 8.370 nan 0.000 0.509 677 A N 0.615 123.459 122.820 0.039 0.000 2.327 677 A HA 0.281 4.599 4.320 -0.003 0.000 0.255 677 A C 0.697 178.302 177.584 0.034 0.000 1.099 677 A CA -0.080 51.981 52.037 0.040 0.000 0.801 677 A CB 0.424 19.455 19.000 0.050 0.000 1.062 677 A HN 0.033 nan 8.150 nan 0.000 0.496 678 T N 0.080 114.649 114.554 0.026 0.000 2.918 678 T HA 0.294 4.643 4.350 -0.003 0.000 0.302 678 T C -1.555 173.157 174.700 0.019 0.000 1.045 678 T CA -1.110 61.000 62.100 0.017 0.000 1.114 678 T CB 0.355 69.227 68.868 0.006 0.000 0.965 678 T HN 0.361 nan 8.240 nan 0.000 0.540 679 P HA -0.147 nan 4.420 nan 0.000 0.217 679 P C 1.412 178.706 177.300 -0.010 0.000 1.148 679 P CA 1.173 64.280 63.100 0.012 0.000 0.834 679 P CB 0.105 31.799 31.700 -0.010 0.000 0.783 680 Q N -0.261 119.520 119.800 -0.031 0.000 2.016 680 Q HA -0.188 4.150 4.340 -0.003 0.000 0.200 680 Q C 2.215 178.165 176.000 -0.083 0.000 0.978 680 Q CA 1.355 57.117 55.803 -0.067 0.000 0.833 680 Q CB -0.372 28.327 28.738 -0.066 0.000 0.895 680 Q HN -0.107 nan 8.270 nan 0.000 0.427 681 K N 0.506 120.880 120.400 -0.044 0.000 2.152 681 K HA -0.179 4.139 4.320 -0.003 0.000 0.206 681 K C 1.991 178.580 176.600 -0.018 0.000 1.048 681 K CA 1.649 57.915 56.287 -0.034 0.000 0.933 681 K CB -0.061 32.443 32.500 0.007 0.000 0.721 681 K HN 0.430 nan 8.250 nan 0.000 0.447 682 Q N -0.510 119.299 119.800 0.016 0.000 2.020 682 Q HA -0.109 4.229 4.340 -0.003 0.000 0.202 682 Q C 2.139 178.174 176.000 0.058 0.000 0.982 682 Q CA 1.672 57.514 55.803 0.064 0.000 0.838 682 Q CB -0.228 28.587 28.738 0.129 0.000 0.899 682 Q HN 0.327 nan 8.270 nan 0.000 0.423 683 A N 1.467 124.298 122.820 0.019 0.000 1.883 683 A HA -0.258 4.060 4.320 -0.003 0.000 0.217 683 A C 1.881 179.425 177.584 -0.066 0.000 1.186 683 A CA 1.716 53.761 52.037 0.013 0.000 0.624 683 A CB -0.526 18.465 19.000 -0.014 0.000 0.822 683 A HN 0.357 nan 8.150 nan 0.000 0.444 684 E N -0.895 119.158 120.200 -0.245 0.000 2.077 684 E HA -0.139 4.209 4.350 -0.003 0.000 0.193 684 E C 2.095 178.625 176.600 -0.116 0.000 0.989 684 E CA 1.615 57.718 56.400 -0.496 0.000 0.800 684 E CB -0.344 28.947 29.700 -0.683 0.000 0.746 684 E HN 0.626 nan 8.360 nan 0.000 0.452 685 T N 1.599 116.127 114.554 -0.042 0.000 2.746 685 T HA -0.119 4.229 4.350 -0.003 0.000 0.267 685 T C 1.946 176.670 174.700 0.040 0.000 1.039 685 T CA 0.793 62.884 62.100 -0.014 0.000 1.142 685 T CB -0.170 68.651 68.868 -0.080 0.000 0.866 685 T HN 0.096 nan 8.240 nan 0.000 0.444 686 L N -0.284 120.989 121.223 0.083 0.000 2.083 686 L HA -0.019 4.319 4.340 -0.003 0.000 0.209 686 L C 2.250 179.232 176.870 0.186 0.000 1.083 686 L CA 1.204 56.125 54.840 0.135 0.000 0.752 686 L CB -0.518 41.638 42.059 0.160 0.000 0.899 686 L HN 0.220 nan 8.230 nan 0.000 0.433 687 F N 0.287 120.274 119.950 0.062 0.000 2.075 687 F HA -0.293 4.232 4.527 -0.003 0.000 0.297 687 F C 2.623 178.520 175.800 0.162 0.000 1.113 687 F CA 1.832 59.893 58.000 0.102 0.000 1.218 687 F CB -0.284 38.732 39.000 0.026 0.000 0.984 687 F HN 0.067 nan 8.300 nan 0.000 0.472 688 C N 0.548 120.121 119.300 0.455 0.000 2.429 688 C HA -0.158 4.300 4.460 -0.003 0.000 0.277 688 C C 2.768 177.904 174.990 0.243 0.000 1.262 688 C CA 0.907 60.133 59.018 0.347 0.000 1.733 688 C CB -1.433 26.492 27.740 0.308 0.000 2.010 688 C HN 0.506 nan 8.230 nan 0.000 0.483 689 L N 0.677 122.049 121.223 0.247 0.000 2.046 689 L HA -0.169 4.170 4.340 -0.003 0.000 0.208 689 L C 2.804 179.937 176.870 0.437 0.000 1.077 689 L CA 1.787 56.863 54.840 0.394 0.000 0.747 689 L CB -0.746 41.532 42.059 0.366 0.000 0.896 689 L HN 0.388 nan 8.230 nan 0.000 0.432 690 S N -0.760 115.065 115.700 0.209 0.000 2.370 690 S HA -0.211 4.257 4.470 -0.003 0.000 0.226 690 S C 1.974 176.644 174.600 0.117 0.000 1.033 690 S CA 2.120 60.375 58.200 0.091 0.000 1.011 690 S CB -0.235 62.912 63.200 -0.088 0.000 0.852 690 S HN 0.464 nan 8.310 nan 0.000 0.457 691 T N 1.964 116.540 114.554 0.037 0.000 2.746 691 T HA 0.043 4.391 4.350 -0.003 0.000 0.267 691 T C 2.097 176.860 174.700 0.104 0.000 1.039 691 T CA 1.258 63.371 62.100 0.020 0.000 1.142 691 T CB -0.741 68.132 68.868 0.008 0.000 0.866 691 T HN 0.541 nan 8.240 nan 0.000 0.444 692 A N 1.046 123.987 122.820 0.201 0.000 1.883 692 A HA -0.025 4.293 4.320 -0.003 0.000 0.217 692 A C 1.956 179.652 177.584 0.187 0.000 1.186 692 A CA 1.410 53.581 52.037 0.222 0.000 0.624 692 A CB -1.041 18.122 19.000 0.271 0.000 0.822 692 A HN 0.491 nan 8.150 nan 0.000 0.444 693 F N -0.062 120.141 119.950 0.423 0.000 2.407 693 F HA 0.047 4.573 4.527 -0.003 0.000 0.299 693 F C 2.653 178.607 175.800 0.258 0.000 1.097 693 F CA 0.689 58.981 58.000 0.488 0.000 1.422 693 F CB -0.171 39.129 39.000 0.501 0.000 1.067 693 F HN 0.261 nan 8.300 nan 0.000 0.539 694 A N 0.092 123.096 122.820 0.306 0.000 1.969 694 A HA -0.192 4.127 4.320 -0.003 0.000 0.218 694 A C 2.218 179.828 177.584 0.043 0.000 1.169 694 A CA 1.663 53.849 52.037 0.249 0.000 0.635 694 A CB -0.629 18.540 19.000 0.280 0.000 0.810 694 A HN 0.330 nan 8.150 nan 0.000 0.445 695 R N -1.785 118.639 120.500 -0.126 0.000 2.062 695 R HA -0.088 4.250 4.340 -0.003 0.000 0.229 695 R C 1.886 177.876 176.300 -0.517 0.000 1.128 695 R CA 1.456 57.288 56.100 -0.447 0.000 0.960 695 R CB -0.571 29.255 30.300 -0.790 0.000 0.855 695 R HN 0.604 nan 8.270 nan 0.000 0.432 696 Y N 0.285 120.325 120.300 -0.434 0.000 2.139 696 Y HA -0.320 4.228 4.550 -0.003 0.000 0.282 696 Y C 2.613 178.407 175.900 -0.177 0.000 1.179 696 Y CA 1.577 59.464 58.100 -0.355 0.000 1.161 696 Y CB -0.047 38.404 38.460 -0.015 0.000 0.970 696 Y HN 0.335 nan 8.280 nan 0.000 0.511 697 S N -0.436 115.341 115.700 0.128 0.000 2.562 697 S HA -0.007 4.461 4.470 -0.003 0.000 0.221 697 S C 0.955 175.578 174.600 0.037 0.000 0.975 697 S CA 0.002 58.274 58.200 0.120 0.000 0.918 697 S CB -0.594 62.697 63.200 0.150 0.000 0.772 697 S HN 0.313 nan 8.310 nan 0.000 0.531 698 S N 1.728 117.392 115.700 -0.060 0.000 2.634 698 S HA 0.316 4.784 4.470 -0.003 0.000 0.261 698 S C 1.342 175.888 174.600 -0.091 0.000 1.271 698 S CA -0.028 58.117 58.200 -0.091 0.000 0.985 698 S CB 0.887 63.983 63.200 -0.173 0.000 0.968 698 S HN 0.539 nan 8.310 nan 0.000 0.568 699 S N 0.294 115.949 115.700 -0.076 0.000 2.447 699 S HA -0.023 4.445 4.470 -0.003 0.000 0.233 699 S C 1.819 176.369 174.600 -0.083 0.000 1.006 699 S CA 0.544 58.710 58.200 -0.056 0.000 0.957 699 S CB -1.042 62.136 63.200 -0.037 0.000 0.773 699 S HN 1.052 nan 8.310 nan 0.000 0.507 700 A N 1.565 124.285 122.820 -0.166 0.000 1.930 700 A HA 0.210 4.528 4.320 -0.003 0.000 0.215 700 A C 1.884 179.317 177.584 -0.251 0.000 1.176 700 A CA 0.962 52.857 52.037 -0.237 0.000 0.632 700 A CB -0.304 18.447 19.000 -0.416 0.000 0.819 700 A HN 0.493 nan 8.150 nan 0.000 0.445 701 I N -2.435 117.944 120.570 -0.317 0.000 5.672 701 I HA 0.187 4.355 4.170 -0.003 0.000 0.229 701 I C 1.753 177.754 176.117 -0.194 0.000 0.911 701 I CA 0.443 61.505 61.300 -0.398 0.000 1.682 701 I CB -1.622 35.958 38.000 -0.700 0.000 1.427 701 I HN 0.299 nan 8.210 nan 0.000 0.459 702 F N 0.907 120.824 119.950 -0.055 0.000 2.776 702 F HA 0.288 4.814 4.527 -0.003 0.000 0.300 702 F C 1.469 177.253 175.800 -0.027 0.000 1.116 702 F CA -0.314 57.659 58.000 -0.045 0.000 1.375 702 F CB 0.180 39.130 39.000 -0.083 0.000 1.109 702 F HN 0.187 nan 8.300 nan 0.000 0.585 703 G N 0.282 109.154 108.800 0.120 0.000 2.488 703 G HA2 0.468 4.427 3.960 -0.003 0.000 0.318 703 G HA3 0.468 4.427 3.960 -0.003 0.000 0.318 703 G C -0.290 174.633 174.900 0.037 0.000 1.188 703 G CA -0.286 44.859 45.100 0.075 0.000 0.944 703 G HN 0.032 nan 8.290 nan 0.000 0.495 704 T N -2.406 112.165 114.554 0.028 0.000 2.876 704 T HA 0.383 4.731 4.350 -0.003 0.000 0.277 704 T C 0.937 175.628 174.700 -0.016 0.000 0.997 704 T CA -0.460 61.635 62.100 -0.009 0.000 0.966 704 T CB 1.623 70.476 68.868 -0.026 0.000 1.312 704 T HN 0.441 nan 8.240 nan 0.000 0.598 705 E N -0.033 120.117 120.200 -0.083 0.000 2.150 705 E HA -0.111 4.237 4.350 -0.003 0.000 0.193 705 E C 1.396 178.083 176.600 0.145 0.000 0.985 705 E CA 1.249 57.624 56.400 -0.042 0.000 0.814 705 E CB -0.173 29.436 29.700 -0.152 0.000 0.752 705 E HN 0.765 nan 8.360 nan 0.000 0.466 706 H N -1.029 118.063 119.070 0.037 0.000 2.755 706 H HA 0.204 4.759 4.556 -0.003 0.000 0.273 706 H C -0.235 175.123 175.328 0.049 0.000 1.055 706 H CA -0.435 55.643 56.048 0.050 0.000 1.191 706 H CB 0.895 30.687 29.762 0.051 0.000 1.536 706 H HN -0.111 nan 8.280 nan 0.000 0.529 707 D N 0.759 121.241 120.400 0.136 0.000 2.890 707 D HA 0.123 4.761 4.640 -0.003 0.000 0.233 707 D C -1.166 175.178 176.300 0.073 0.000 1.306 707 D CA -0.233 53.822 54.000 0.092 0.000 0.929 707 D CB 2.157 43.002 40.800 0.076 0.000 1.512 707 D HN -0.013 nan 8.370 nan 0.000 0.568 708 S N 4.086 119.828 115.700 0.071 0.000 2.756 708 S HA 0.519 4.987 4.470 -0.003 0.000 0.303 708 S C -2.662 171.980 174.600 0.070 0.000 1.135 708 S CA -1.316 56.928 58.200 0.073 0.000 1.066 708 S CB 1.252 64.497 63.200 0.075 0.000 1.008 708 S HN 0.210 nan 8.310 nan 0.000 0.482 709 P HA 0.043 nan 4.420 nan 0.000 0.253 709 P C -2.034 175.289 177.300 0.038 0.000 1.159 709 P CA -0.757 62.375 63.100 0.052 0.000 0.779 709 P CB 0.036 31.773 31.700 0.061 0.000 0.745 710 P HA -0.190 nan 4.420 nan 0.000 0.218 710 P C 1.281 178.585 177.300 0.007 0.000 1.148 710 P CA 1.507 64.630 63.100 0.038 0.000 0.822 710 P CB -0.151 31.579 31.700 0.051 0.000 0.784 711 A N 0.003 122.813 122.820 -0.018 0.000 1.930 711 A HA -0.098 4.220 4.320 -0.003 0.000 0.217 711 A C 2.376 179.814 177.584 -0.243 0.000 1.175 711 A CA 1.125 53.125 52.037 -0.062 0.000 0.627 711 A CB -1.486 17.513 19.000 -0.002 0.000 0.815 711 A HN 0.119 nan 8.150 nan 0.000 0.443 712 L N -1.202 119.860 121.223 -0.268 0.000 2.093 712 L HA -0.143 4.195 4.340 -0.003 0.000 0.208 712 L C 2.851 179.672 176.870 -0.083 0.000 1.085 712 L CA 1.159 55.846 54.840 -0.254 0.000 0.755 712 L CB -0.460 41.586 42.059 -0.021 0.000 0.904 712 L HN 0.371 nan 8.230 nan 0.000 0.435 713 R N -0.196 120.275 120.500 -0.049 0.000 2.090 713 R HA -0.069 4.269 4.340 -0.003 0.000 0.228 713 R C 2.362 178.509 176.300 -0.256 0.000 1.110 713 R CA 1.164 57.222 56.100 -0.071 0.000 0.973 713 R CB -0.523 29.819 30.300 0.070 0.000 0.869 713 R HN 0.393 nan 8.270 nan 0.000 0.440 714 G N -0.030 108.689 108.800 -0.134 0.000 2.402 714 G HA2 -0.312 3.647 3.960 -0.003 0.000 0.216 714 G HA3 -0.312 3.647 3.960 -0.003 0.000 0.216 714 G C 1.235 176.050 174.900 -0.142 0.000 1.162 714 G CA 0.436 45.469 45.100 -0.111 0.000 0.777 714 G HN 0.324 nan 8.290 nan 0.000 0.539 715 Y N 1.920 122.073 120.300 -0.244 0.000 2.200 715 Y HA 0.134 4.682 4.550 -0.003 0.000 0.290 715 Y C 2.875 178.605 175.900 -0.284 0.000 1.137 715 Y CA 1.139 59.100 58.100 -0.231 0.000 1.163 715 Y CB -0.323 37.977 38.460 -0.266 0.000 0.988 715 Y HN 0.234 nan 8.280 nan 0.000 0.518 716 A N 0.128 122.720 122.820 -0.380 0.000 1.933 716 A HA -0.196 4.122 4.320 -0.003 0.000 0.218 716 A C 2.240 179.337 177.584 -0.812 0.000 1.175 716 A CA 1.811 53.535 52.037 -0.523 0.000 0.628 716 A CB -0.722 17.992 19.000 -0.475 0.000 0.814 716 A HN 0.526 nan 8.150 nan 0.000 0.444 717 E N 0.239 119.841 120.200 -0.996 0.000 2.072 717 E HA -0.135 4.213 4.350 -0.003 0.000 0.191 717 E C 2.221 178.663 176.600 -0.264 0.000 0.985 717 E CA 1.276 57.255 56.400 -0.702 0.000 0.801 717 E CB -0.300 29.044 29.700 -0.595 0.000 0.750 717 E HN 0.483 nan 8.360 nan 0.000 0.452 718 A N 1.030 123.706 122.820 -0.240 0.000 1.969 718 A HA -0.085 4.233 4.320 -0.003 0.000 0.218 718 A C 2.428 179.952 177.584 -0.100 0.000 1.169 718 A CA 0.781 52.751 52.037 -0.111 0.000 0.635 718 A CB -0.580 18.361 19.000 -0.099 0.000 0.810 718 A HN 0.266 nan 8.150 nan 0.000 0.445 719 L N -1.308 119.773 121.223 -0.237 0.000 2.042 719 L HA -0.218 4.120 4.340 -0.003 0.000 0.210 719 L C 2.829 179.733 176.870 0.057 0.000 1.076 719 L CA 1.923 56.680 54.840 -0.138 0.000 0.749 719 L CB -0.371 41.551 42.059 -0.229 0.000 0.893 719 L HN 0.540 nan 8.230 nan 0.000 0.432 720 M N -1.162 118.495 119.600 0.094 0.000 2.175 720 M HA -0.205 4.273 4.480 -0.003 0.000 0.264 720 M C 2.364 179.024 176.300 0.600 0.000 1.063 720 M CA 1.524 57.051 55.300 0.378 0.000 1.119 720 M CB -0.014 32.811 32.600 0.376 0.000 1.377 720 M HN 0.263 nan 8.290 nan 0.000 0.415 721 Q N 0.221 120.277 119.800 0.426 0.000 2.050 721 Q HA -0.230 4.108 4.340 -0.003 0.000 0.202 721 Q C 2.021 178.182 176.000 0.267 0.000 0.980 721 Q CA 1.581 57.647 55.803 0.438 0.000 0.840 721 Q CB -0.279 28.629 28.738 0.283 0.000 0.898 721 Q HN 0.369 nan 8.270 nan 0.000 0.424 722 K N 0.939 121.433 120.400 0.156 0.000 2.097 722 K HA -0.068 4.250 4.320 -0.003 0.000 0.206 722 K C 1.841 178.489 176.600 0.080 0.000 1.049 722 K CA 1.356 57.665 56.287 0.036 0.000 0.933 722 K CB -0.462 31.996 32.500 -0.070 0.000 0.717 722 K HN 0.141 nan 8.250 nan 0.000 0.442 723 A N 0.939 123.890 122.820 0.219 0.000 1.883 723 A HA -0.201 4.117 4.320 -0.003 0.000 0.217 723 A C 2.202 180.006 177.584 0.366 0.000 1.186 723 A CA 1.618 53.836 52.037 0.303 0.000 0.624 723 A CB -1.311 17.956 19.000 0.445 0.000 0.822 723 A HN 0.720 nan 8.150 nan 0.000 0.444 724 W N 0.897 122.298 121.300 0.167 0.000 2.338 724 W HA -0.206 4.452 4.660 -0.003 0.000 0.304 724 W C 1.647 178.034 176.519 -0.221 0.000 1.212 724 W CA 2.235 59.396 57.345 -0.308 0.000 1.264 724 W CB -0.274 28.420 29.460 -1.277 0.000 1.142 724 W HN 0.464 nan 8.180 nan 0.000 0.512 725 E N 0.596 120.766 120.200 -0.050 0.000 2.051 725 E HA -0.199 4.150 4.350 -0.003 0.000 0.192 725 E C 2.336 178.837 176.600 -0.166 0.000 0.991 725 E CA 2.010 58.340 56.400 -0.117 0.000 0.799 725 E CB -0.858 28.823 29.700 -0.031 0.000 0.748 725 E HN 0.269 nan 8.360 nan 0.000 0.449 726 L N -1.026 120.135 121.223 -0.103 0.000 2.027 726 L HA -0.029 4.309 4.340 -0.003 0.000 0.206 726 L C 0.884 177.691 176.870 -0.105 0.000 1.074 726 L CA 0.852 55.644 54.840 -0.080 0.000 0.745 726 L CB 0.173 42.220 42.059 -0.021 0.000 0.898 726 L HN -0.047 nan 8.230 nan 0.000 0.433 727 S N -1.802 113.828 115.700 -0.117 0.000 2.479 727 S HA 0.289 4.758 4.470 -0.003 0.000 0.169 727 S C -2.143 172.363 174.600 -0.157 0.000 1.181 727 S CA -0.958 57.160 58.200 -0.137 0.000 1.169 727 S CB 0.695 63.843 63.200 -0.086 0.000 1.384 727 S HN -0.165 nan 8.310 nan 0.000 0.412 728 P HA 0.024 nan 4.420 nan 0.000 0.220 728 P C 1.395 178.566 177.300 -0.216 0.000 1.148 728 P CA 0.957 63.619 63.100 -0.731 0.000 0.803 728 P CB 0.124 31.013 31.700 -1.352 0.000 0.782 729 A N -0.336 122.391 122.820 -0.155 0.000 2.070 729 A HA -0.149 4.170 4.320 -0.003 0.000 0.220 729 A C 1.965 179.537 177.584 -0.019 0.000 1.159 729 A CA 1.071 53.069 52.037 -0.066 0.000 0.656 729 A CB -1.355 17.597 19.000 -0.081 0.000 0.800 729 A HN 0.059 nan 8.150 nan 0.000 0.453 730 I N -1.058 119.501 120.570 -0.019 0.000 2.493 730 I HA -0.081 4.087 4.170 -0.003 0.000 0.254 730 I C 0.610 176.681 176.117 -0.077 0.000 1.160 730 I CA 0.515 61.745 61.300 -0.117 0.000 1.445 730 I CB -1.381 36.435 38.000 -0.305 0.000 1.086 730 I HN 0.189 nan 8.210 nan 0.000 0.433 731 F N 2.346 122.333 119.950 0.061 0.000 2.380 731 F HA 0.173 4.698 4.527 -0.003 0.000 0.325 731 F C -0.708 175.149 175.800 0.095 0.000 1.136 731 F CA -1.440 56.650 58.000 0.151 0.000 1.171 731 F CB -0.161 39.084 39.000 0.408 0.000 1.230 731 F HN -0.115 nan 8.300 nan 0.000 0.554 732 P HA -0.003 nan 4.420 nan 0.000 0.221 732 P C -0.163 177.249 177.300 0.186 0.000 1.155 732 P CA 0.849 64.084 63.100 0.224 0.000 0.812 732 P CB 0.433 32.304 31.700 0.285 0.000 0.801 733 S N -2.757 113.070 115.700 0.212 0.000 2.656 733 S HA 0.407 4.875 4.470 -0.003 0.000 0.273 733 S C 0.938 175.658 174.600 0.201 0.000 1.168 733 S CA 0.006 58.304 58.200 0.163 0.000 0.817 733 S CB 1.056 64.294 63.200 0.063 0.000 1.146 733 S HN -0.103 nan 8.310 nan 0.000 0.475 734 S N -0.054 115.735 115.700 0.149 0.000 2.357 734 S HA 0.006 4.474 4.470 -0.003 0.000 0.221 734 S C 1.292 175.850 174.600 -0.069 0.000 1.031 734 S CA 1.274 59.528 58.200 0.090 0.000 0.982 734 S CB -0.638 62.628 63.200 0.110 0.000 0.853 734 S HN 0.690 nan 8.310 nan 0.000 0.458 735 E N 0.160 120.324 120.200 -0.060 0.000 2.478 735 E HA 0.004 4.353 4.350 -0.003 0.000 0.194 735 E C 1.913 178.397 176.600 -0.193 0.000 1.045 735 E CA 0.094 56.425 56.400 -0.116 0.000 0.868 735 E CB 0.022 29.670 29.700 -0.087 0.000 0.885 735 E HN 0.431 nan 8.360 nan 0.000 0.505 736 Q N 0.401 120.075 119.800 -0.210 0.000 2.079 736 Q HA -0.159 4.180 4.340 -0.003 0.000 0.200 736 Q C 1.775 177.467 176.000 -0.514 0.000 0.974 736 Q CA 1.200 56.727 55.803 -0.460 0.000 0.840 736 Q CB -0.514 27.963 28.738 -0.436 0.000 0.898 736 Q HN 0.250 nan 8.270 nan 0.000 0.430 737 F N 0.406 120.154 119.950 -0.337 0.000 2.126 737 F HA -0.208 4.317 4.527 -0.003 0.000 0.299 737 F C 1.889 177.558 175.800 -0.219 0.000 1.096 737 F CA 2.137 59.992 58.000 -0.241 0.000 1.255 737 F CB -0.723 37.795 39.000 -0.804 0.000 0.997 737 F HN 0.080 nan 8.300 nan 0.000 0.479 738 T N 0.076 114.419 114.554 -0.352 0.000 2.708 738 T HA -0.209 4.139 4.350 -0.003 0.000 0.266 738 T C 1.929 176.475 174.700 -0.257 0.000 1.037 738 T CA 1.482 63.380 62.100 -0.336 0.000 1.146 738 T CB -0.408 68.338 68.868 -0.202 0.000 0.865 738 T HN 0.365 nan 8.240 nan 0.000 0.435 739 E N -0.176 119.871 120.200 -0.256 0.000 2.110 739 E HA -0.151 4.198 4.350 -0.003 0.000 0.193 739 E C 1.970 178.490 176.600 -0.132 0.000 0.988 739 E CA 1.009 57.283 56.400 -0.210 0.000 0.804 739 E CB -0.089 29.450 29.700 -0.269 0.000 0.745 739 E HN 0.559 nan 8.360 nan 0.000 0.458 740 W N 0.909 122.097 121.300 -0.187 0.000 2.381 740 W HA -0.050 4.609 4.660 -0.003 0.000 0.301 740 W C 2.756 179.084 176.519 -0.318 0.000 1.205 740 W CA 1.053 58.228 57.345 -0.282 0.000 1.285 740 W CB -1.404 27.937 29.460 -0.198 0.000 1.133 740 W HN 0.113 nan 8.180 nan 0.000 0.521 741 S N 0.311 115.988 115.700 -0.039 0.000 2.370 741 S HA -0.187 4.281 4.470 -0.003 0.000 0.226 741 S C 1.534 176.149 174.600 0.025 0.000 1.033 741 S CA 2.006 60.164 58.200 -0.070 0.000 1.011 741 S CB -0.395 62.600 63.200 -0.341 0.000 0.852 741 S HN 0.094 nan 8.310 nan 0.000 0.457 742 D N 0.625 121.029 120.400 0.007 0.000 2.144 742 D HA -0.051 4.588 4.640 -0.003 0.000 0.199 742 D C 2.212 178.537 176.300 0.042 0.000 0.984 742 D CA 0.919 54.951 54.000 0.053 0.000 0.834 742 D CB -0.240 40.553 40.800 -0.012 0.000 0.955 742 D HN 0.437 nan 8.370 nan 0.000 0.465 743 R N -0.574 119.908 120.500 -0.031 0.000 2.200 743 R HA 0.057 4.395 4.340 -0.003 0.000 0.208 743 R C 2.301 178.557 176.300 -0.073 0.000 1.033 743 R CA 0.053 56.116 56.100 -0.061 0.000 1.000 743 R CB -0.149 30.095 30.300 -0.093 0.000 0.906 743 R HN 0.260 nan 8.270 nan 0.000 0.462 744 F N 0.260 120.155 119.950 -0.092 0.000 2.146 744 F HA -0.116 4.409 4.527 -0.003 0.000 0.298 744 F C 1.249 176.940 175.800 -0.182 0.000 1.096 744 F CA 0.515 58.406 58.000 -0.181 0.000 1.275 744 F CB 0.027 38.833 39.000 -0.322 0.000 1.008 744 F HN 0.039 nan 8.300 nan 0.000 0.480 745 H N -0.229 118.939 119.070 0.164 0.000 2.652 745 H HA 0.204 4.758 4.556 -0.003 0.000 0.349 745 H C 0.444 175.801 175.328 0.048 0.000 1.099 745 H CA 0.017 56.111 56.048 0.076 0.000 1.417 745 H CB 0.949 30.727 29.762 0.026 0.000 1.457 745 H HN 0.053 nan 8.280 nan 0.000 0.568 746 G N 2.860 111.776 108.800 0.194 0.000 2.922 746 G HA2 0.287 4.245 3.960 -0.003 0.000 0.335 746 G HA3 0.287 4.245 3.960 -0.003 0.000 0.335 746 G C 0.582 175.559 174.900 0.129 0.000 1.016 746 G CA -0.425 44.755 45.100 0.135 0.000 1.306 746 G HN 0.418 nan 8.290 nan 0.000 0.465 747 L N 1.128 122.373 121.223 0.036 0.000 2.700 747 L HA 0.116 4.454 4.340 -0.003 0.000 0.240 747 L C 1.592 178.432 176.870 -0.050 0.000 1.162 747 L CA 0.725 55.523 54.840 -0.070 0.000 0.874 747 L CB -1.340 40.675 42.059 -0.072 0.000 1.001 747 L HN 0.781 nan 8.230 nan 0.000 0.447 748 H N -3.523 115.468 119.070 -0.131 0.000 3.641 748 H HA -0.202 4.352 4.556 -0.003 0.000 0.193 748 H C 1.671 176.777 175.328 -0.370 0.000 1.013 748 H CA 0.149 56.081 56.048 -0.192 0.000 1.212 748 H CB -1.358 28.333 29.762 -0.119 0.000 1.089 748 H HN 0.500 nan 8.280 nan 0.000 0.339 749 G N 0.024 108.675 108.800 -0.247 0.000 3.020 749 G HA2 0.458 4.416 3.960 -0.003 0.000 0.217 749 G HA3 0.458 4.416 3.960 -0.003 0.000 0.217 749 G C 0.569 175.137 174.900 -0.554 0.000 1.144 749 G CA 0.523 45.364 45.100 -0.431 0.000 0.760 749 G HN 0.454 nan 8.290 nan 0.000 0.548 750 A N 0.567 123.163 122.820 -0.373 0.000 2.621 750 A HA 0.659 4.977 4.320 -0.003 0.000 0.329 750 A C 0.568 178.025 177.584 -0.212 0.000 1.458 750 A CA -0.681 51.239 52.037 -0.195 0.000 1.052 750 A CB -0.073 18.896 19.000 -0.052 0.000 1.142 750 A HN 0.140 nan 8.150 nan 0.000 0.523 751 F N 1.393 121.344 119.950 0.002 0.000 2.128 751 F HA 0.086 4.612 4.527 -0.003 0.000 0.295 751 F C 1.681 177.466 175.800 -0.024 0.000 1.100 751 F CA 1.646 59.632 58.000 -0.024 0.000 1.260 751 F CB -0.018 38.946 39.000 -0.060 0.000 1.009 751 F HN 0.442 nan 8.300 nan 0.000 0.476 752 T N -1.803 112.870 114.554 0.200 0.000 3.011 752 T HA 0.521 4.870 4.350 -0.003 0.000 0.303 752 T C -0.338 174.431 174.700 0.115 0.000 0.997 752 T CA -0.331 61.846 62.100 0.129 0.000 1.007 752 T CB 1.039 69.917 68.868 0.016 0.000 1.017 752 T HN 0.447 nan 8.240 nan 0.000 0.443 753 C N 3.329 122.696 119.300 0.111 0.000 4.587 753 C HA 0.131 4.589 4.460 -0.003 0.000 0.216 753 C C 0.885 175.904 174.990 0.048 0.000 1.695 753 C CA 0.935 60.005 59.018 0.087 0.000 1.795 753 C CB -1.032 26.748 27.740 0.066 0.000 1.356 753 C HN 1.178 nan 8.230 nan 0.000 0.484 754 T N 2.703 117.271 114.554 0.023 0.000 2.708 754 T HA 0.375 4.724 4.350 -0.003 0.000 0.257 754 T C 0.957 175.637 174.700 -0.034 0.000 1.002 754 T CA 1.469 63.560 62.100 -0.014 0.000 1.269 754 T CB -0.075 68.765 68.868 -0.046 0.000 0.966 754 T HN 1.507 nan 8.240 nan 0.000 0.534 755 S N 3.904 119.580 115.700 -0.041 0.000 2.720 755 S HA 0.183 4.651 4.470 -0.003 0.000 0.222 755 S C 1.803 176.357 174.600 -0.076 0.000 0.958 755 S CA 0.163 58.315 58.200 -0.079 0.000 0.943 755 S CB -0.078 63.063 63.200 -0.098 0.000 0.779 755 S HN 0.672 nan 8.310 nan 0.000 0.526 756 V N 0.403 120.284 119.914 -0.056 0.000 2.488 756 V HA -0.119 3.999 4.120 -0.003 0.000 0.246 756 V C 2.403 178.462 176.094 -0.059 0.000 1.046 756 V CA 1.260 63.539 62.300 -0.034 0.000 1.053 756 V CB -0.085 31.737 31.823 -0.002 0.000 0.679 756 V HN 0.521 nan 8.190 nan 0.000 0.458 757 V N 0.563 120.390 119.914 -0.145 0.000 2.295 757 V HA -0.258 3.860 4.120 -0.003 0.000 0.246 757 V C 2.714 178.602 176.094 -0.344 0.000 1.049 757 V CA 2.065 64.178 62.300 -0.313 0.000 1.024 757 V CB -1.233 30.202 31.823 -0.647 0.000 0.648 757 V HN 0.550 nan 8.190 nan 0.000 0.447 758 A N -0.115 122.570 122.820 -0.225 0.000 1.902 758 A HA -0.248 4.070 4.320 -0.003 0.000 0.217 758 A C 2.034 179.537 177.584 -0.135 0.000 1.181 758 A CA 2.018 53.951 52.037 -0.173 0.000 0.623 758 A CB -0.629 18.284 19.000 -0.146 0.000 0.818 758 A HN 0.537 nan 8.150 nan 0.000 0.443 759 D N -0.548 119.795 120.400 -0.096 0.000 2.084 759 D HA -0.128 4.510 4.640 -0.003 0.000 0.194 759 D C 2.340 178.643 176.300 0.006 0.000 0.990 759 D CA 1.744 55.718 54.000 -0.043 0.000 0.826 759 D CB -0.512 40.273 40.800 -0.024 0.000 0.971 759 D HN 0.409 nan 8.370 nan 0.000 0.453 760 S N -0.213 115.511 115.700 0.039 0.000 2.359 760 S HA -0.159 4.309 4.470 -0.003 0.000 0.224 760 S C 2.099 176.801 174.600 0.171 0.000 1.035 760 S CA 1.171 59.486 58.200 0.191 0.000 1.018 760 S CB -0.171 63.275 63.200 0.410 0.000 0.876 760 S HN 0.143 nan 8.310 nan 0.000 0.448 761 M N 0.607 120.095 119.600 -0.187 0.000 2.117 761 M HA -0.133 4.346 4.480 -0.003 0.000 0.262 761 M C 2.607 178.983 176.300 0.127 0.000 1.065 761 M CA 1.743 56.867 55.300 -0.293 0.000 1.114 761 M CB -0.445 31.715 32.600 -0.733 0.000 1.361 761 M HN 0.470 nan 8.290 nan 0.000 0.408 762 Q N 0.259 120.082 119.800 0.038 0.000 2.084 762 Q HA -0.162 4.176 4.340 -0.003 0.000 0.202 762 Q C 2.064 178.097 176.000 0.055 0.000 0.978 762 Q CA 1.434 57.275 55.803 0.063 0.000 0.844 762 Q CB 0.091 28.834 28.738 0.008 0.000 0.898 762 Q HN 0.423 nan 8.270 nan 0.000 0.426 763 R N -0.679 119.865 120.500 0.073 0.000 2.105 763 R HA -0.173 4.165 4.340 -0.003 0.000 0.239 763 R C 2.414 178.748 176.300 0.057 0.000 1.135 763 R CA 1.404 57.539 56.100 0.059 0.000 0.967 763 R CB -0.457 29.899 30.300 0.094 0.000 0.861 763 R HN 0.438 nan 8.270 nan 0.000 0.442 764 H N 0.398 119.519 119.070 0.086 0.000 2.389 764 H HA 0.011 4.566 4.556 -0.003 0.000 0.299 764 H C 1.748 176.927 175.328 -0.248 0.000 1.081 764 H CA 1.562 57.661 56.048 0.086 0.000 1.345 764 H CB 0.220 30.174 29.762 0.320 0.000 1.393 764 H HN 0.233 nan 8.280 nan 0.000 0.520 765 A N 1.171 123.850 122.820 -0.235 0.000 1.873 765 A HA -0.135 4.183 4.320 -0.003 0.000 0.215 765 A C 2.592 179.791 177.584 -0.643 0.000 1.186 765 A CA 1.261 52.827 52.037 -0.785 0.000 0.616 765 A CB -0.492 18.418 19.000 -0.150 0.000 0.823 765 A HN 0.360 nan 8.150 nan 0.000 0.442 766 R N -0.539 119.780 120.500 -0.301 0.000 2.127 766 R HA -0.117 4.221 4.340 -0.003 0.000 0.238 766 R C 2.283 178.411 176.300 -0.285 0.000 1.134 766 R CA 1.710 57.676 56.100 -0.223 0.000 0.975 766 R CB -0.172 30.050 30.300 -0.131 0.000 0.865 766 R HN 0.613 nan 8.270 nan 0.000 0.447 767 K N -0.764 119.405 120.400 -0.385 0.000 2.031 767 K HA -0.121 4.197 4.320 -0.003 0.000 0.205 767 K C 1.218 177.448 176.600 -0.616 0.000 1.049 767 K CA 1.404 57.382 56.287 -0.514 0.000 0.939 767 K CB 0.093 32.214 32.500 -0.631 0.000 0.717 767 K HN 0.170 nan 8.250 nan 0.000 0.438 768 Y N -1.184 118.832 120.300 -0.473 0.000 2.522 768 Y HA 0.091 4.640 4.550 -0.003 0.000 0.277 768 Y C 0.289 176.166 175.900 -0.039 0.000 1.104 768 Y CA -0.144 57.803 58.100 -0.256 0.000 1.260 768 Y CB 0.669 39.011 38.460 -0.197 0.000 1.151 768 Y HN 0.027 nan 8.280 nan 0.000 0.539 769 F N -2.030 117.930 119.950 0.018 0.000 2.627 769 F HA 0.514 5.039 4.527 -0.003 0.000 0.344 769 F C -2.652 173.151 175.800 0.005 0.000 1.505 769 F CA -2.965 55.039 58.000 0.008 0.000 1.111 769 F CB 0.066 39.066 39.000 -0.001 0.000 1.585 769 F HN -0.255 nan 8.300 nan 0.000 0.582 770 P HA -0.101 nan 4.420 nan 0.000 0.229 770 P C 1.324 178.644 177.300 0.033 0.000 1.160 770 P CA 1.376 64.451 63.100 -0.042 0.000 0.777 770 P CB 0.303 31.959 31.700 -0.073 0.000 0.814 771 S N -0.546 115.197 115.700 0.073 0.000 2.371 771 S HA -0.062 4.406 4.470 -0.003 0.000 0.224 771 S C 2.071 176.739 174.600 0.114 0.000 1.029 771 S CA 0.944 59.193 58.200 0.081 0.000 0.978 771 S CB -1.675 61.572 63.200 0.077 0.000 0.833 771 S HN -0.033 nan 8.310 nan 0.000 0.466 772 V N 2.083 122.099 119.914 0.170 0.000 2.307 772 V HA -0.073 4.045 4.120 -0.003 0.000 0.245 772 V C 2.471 178.678 176.094 0.188 0.000 1.045 772 V CA 1.623 64.034 62.300 0.186 0.000 1.024 772 V CB -0.948 31.007 31.823 0.221 0.000 0.651 772 V HN 0.426 nan 8.190 nan 0.000 0.449 773 L N 1.319 122.668 121.223 0.210 0.000 2.012 773 L HA -0.196 4.142 4.340 -0.003 0.000 0.210 773 L C 2.706 179.630 176.870 0.090 0.000 1.073 773 L CA 2.626 57.560 54.840 0.156 0.000 0.748 773 L CB -0.687 41.431 42.059 0.098 0.000 0.891 773 L HN 0.514 nan 8.230 nan 0.000 0.431 774 S N -1.670 114.070 115.700 0.066 0.000 2.423 774 S HA -0.145 4.323 4.470 -0.003 0.000 0.231 774 S C 1.917 176.549 174.600 0.053 0.000 1.014 774 S CA 0.989 59.214 58.200 0.041 0.000 0.965 774 S CB -1.018 62.200 63.200 0.030 0.000 0.785 774 S HN 0.665 nan 8.310 nan 0.000 0.495 775 S N 0.051 115.802 115.700 0.086 0.000 2.558 775 S HA 0.270 4.739 4.470 -0.003 0.000 0.217 775 S C 1.318 176.010 174.600 0.153 0.000 0.975 775 S CA 0.060 58.327 58.200 0.112 0.000 0.912 775 S CB -0.318 62.959 63.200 0.129 0.000 0.776 775 S HN 0.426 nan 8.310 nan 0.000 0.526 776 I N 0.451 121.097 120.570 0.127 0.000 3.443 776 I HA 0.369 4.537 4.170 -0.003 0.000 0.277 776 I C 0.693 176.826 176.117 0.028 0.000 1.169 776 I CA -0.012 61.380 61.300 0.153 0.000 1.419 776 I CB -0.020 38.047 38.000 0.111 0.000 1.331 776 I HN 0.212 nan 8.210 nan 0.000 0.458 777 L N 3.095 124.298 121.223 -0.033 0.000 2.456 777 L HA 0.139 4.477 4.340 -0.003 0.000 0.272 777 L C -2.022 174.658 176.870 -0.317 0.000 1.189 777 L CA -1.507 53.227 54.840 -0.177 0.000 0.846 777 L CB 0.247 42.278 42.059 -0.048 0.000 1.111 777 L HN -0.060 nan 8.230 nan 0.000 0.475 778 P HA -0.055 nan 4.420 nan 0.000 0.268 778 P C 0.392 177.447 177.300 -0.407 0.000 1.204 778 P CA -0.277 62.423 63.100 -0.666 0.000 0.768 778 P CB 0.690 31.623 31.700 -1.277 0.000 0.842 779 L N 4.685 125.755 121.223 -0.256 0.000 2.012 779 L HA -0.198 4.140 4.340 -0.003 0.000 0.210 779 L C 2.107 178.926 176.870 -0.086 0.000 1.073 779 L CA 2.372 57.138 54.840 -0.123 0.000 0.748 779 L CB -1.485 40.532 42.059 -0.069 0.000 0.891 779 L HN 0.433 nan 8.230 nan 0.000 0.431 780 A N -1.449 121.293 122.820 -0.131 0.000 2.076 780 A HA -0.215 4.103 4.320 -0.003 0.000 0.220 780 A C 1.697 179.377 177.584 0.160 0.000 1.160 780 A CA 1.736 53.763 52.037 -0.018 0.000 0.653 780 A CB -1.021 17.954 19.000 -0.041 0.000 0.801 780 A HN 0.735 nan 8.150 nan 0.000 0.455 781 W N -0.773 120.426 121.300 -0.167 0.000 3.211 781 W HA 0.561 5.220 4.660 -0.003 0.000 0.292 781 W C 1.302 177.735 176.519 -0.144 0.000 1.268 781 W CA -0.826 56.404 57.345 -0.191 0.000 1.702 781 W CB -1.183 28.118 29.460 -0.265 0.000 1.092 781 W HN 0.346 nan 8.180 nan 0.000 0.643 782 A N 0.000 122.872 122.820 0.087 0.000 2.254 782 A HA 0.000 4.318 4.320 -0.003 0.000 0.244 782 A CA 0.000 52.058 52.037 0.035 0.000 0.836 782 A CB 0.000 19.006 19.000 0.009 0.000 0.831 782 A HN 0.000 nan 8.150 nan 0.000 0.486