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 3gqw_1_B DATA FIRST_RESID 13 DATA SEQUENCE LPXRYADFPT LVDALDYAAL SSAGXNFYDR RCQLEDQLEY QTLKARAEAG DATA SEQUENCE AKRLLSLNLK KGDRVALIAE TSSEFVEAFF ACQYAGLVAV PLAIPXXXXX DATA SEQUENCE XXSWSAKLQG LLASCQPAAI ITGDEWLPLV NAATHDNPEL HVLSHAWFKA DATA SEQUENCE LPEADVALQR PVPNDIAYLQ YTSGSTRFPR GVIITHREVX ANLRAISHDG DATA SEQUENCE IKLRPGDRCV SWLPFYHDXG LVGFLLTPVA TQLSVDYLRT QDFAXRPLQW DATA SEQUENCE LKLISKNRGT VSVAPPFGYE LCQRRVNEKD LAELDLSCWR VAGIGAEPIS DATA SEQUENCE AEQLHQFAEC FRQVNFDNKT FXPCYGLAEN ALAVSFSDEA SGVVVNEVDR DATA SEQUENCE DILEYQGKAV APGAETRAVS TFVNCGKALP EHGIEIRNEA GXPVAERVVG DATA SEQUENCE HICISGPSLX SGYFGDQVSQ DEIAATGWLD TGDLGYLLDG YLYVTGRIKD DATA SEQUENCE LIIIRGRNIW PQDIEYIAEQ EPEIHSGDAI AFVTAQEKII LQIQCRISDE DATA SEQUENCE ERRGQLIHAL AARIQSEFGV TAAIDLLPPH SIPRTSSGKP ARAEAKKRYQ DATA SEQUENCE KAYAASL 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 13 L HA 0.000 nan 4.340 nan 0.000 0.249 13 L C 0.000 176.926 176.870 0.093 0.000 1.165 13 L CA 0.000 54.856 54.840 0.026 0.000 0.813 13 L CB 0.000 42.032 42.059 -0.046 0.000 0.961 17 Y N 1.358 121.614 120.300 -0.073 0.000 2.767 17 Y HA 0.245 4.795 4.550 0.000 0.000 0.354 17 Y C 1.191 177.069 175.900 -0.037 0.000 1.292 17 Y CA 0.473 58.570 58.100 -0.006 0.000 1.749 17 Y CB 0.253 38.738 38.460 0.042 0.000 1.841 17 Y HN 0.878 nan 8.280 nan 0.000 0.454 18 A N 0.116 123.013 122.820 0.129 0.000 2.799 18 A HA -0.300 4.020 4.320 -0.000 0.000 0.287 18 A C 1.483 179.046 177.584 -0.035 0.000 1.484 18 A CA 1.086 53.249 52.037 0.210 0.000 0.813 18 A CB -1.660 17.441 19.000 0.168 0.000 1.009 18 A HN 0.637 nan 8.150 nan 0.000 0.545 19 D N -1.028 119.062 120.400 -0.517 0.000 2.403 19 D HA 0.060 4.700 4.640 -0.000 0.000 0.227 19 D C 0.510 176.464 176.300 -0.577 0.000 0.995 19 D CA 0.884 54.526 54.000 -0.598 0.000 0.928 19 D CB -0.168 40.205 40.800 -0.712 0.000 0.887 19 D HN 0.716 nan 8.370 nan 0.000 0.529 20 F N -0.203 119.710 119.950 -0.062 0.000 2.377 20 F HA 0.275 4.802 4.527 0.000 0.000 0.328 20 F C -1.083 174.702 175.800 -0.026 0.000 1.094 20 F CA -2.253 55.714 58.000 -0.055 0.000 1.093 20 F CB 0.127 39.097 39.000 -0.049 0.000 1.214 20 F HN -0.279 nan 8.300 nan 0.000 0.518 21 P HA 0.030 nan 4.420 nan 0.000 0.224 21 P C -0.051 177.288 177.300 0.064 0.000 1.157 21 P CA 0.948 64.085 63.100 0.062 0.000 0.799 21 P CB 0.180 31.888 31.700 0.014 0.000 0.809 22 T N -4.934 109.653 114.554 0.055 0.000 2.864 22 T HA 0.369 4.719 4.350 -0.000 0.000 0.299 22 T C 0.719 175.480 174.700 0.100 0.000 1.166 22 T CA -0.795 61.293 62.100 -0.020 0.000 1.007 22 T CB 0.699 69.323 68.868 -0.407 0.000 1.219 22 T HN -0.225 nan 8.240 nan 0.000 0.506 23 L N 1.199 122.613 121.223 0.319 0.000 2.131 23 L HA -0.065 4.275 4.340 -0.000 0.000 0.210 23 L C 2.691 179.670 176.870 0.182 0.000 1.092 23 L CA 0.905 55.923 54.840 0.297 0.000 0.759 23 L CB -0.502 41.791 42.059 0.390 0.000 0.903 23 L HN 0.615 nan 8.230 nan 0.000 0.435 24 V N -0.500 119.410 119.914 -0.007 0.000 2.358 24 V HA -0.262 3.857 4.120 -0.000 0.000 0.246 24 V C 2.082 178.065 176.094 -0.185 0.000 1.047 24 V CA 1.762 63.918 62.300 -0.241 0.000 1.035 24 V CB -0.468 30.999 31.823 -0.593 0.000 0.658 24 V HN 0.436 nan 8.190 nan 0.000 0.452 25 D N 0.662 120.981 120.400 -0.136 0.000 2.123 25 D HA -0.155 4.485 4.640 -0.000 0.000 0.196 25 D C 2.233 178.369 176.300 -0.274 0.000 0.992 25 D CA 1.704 55.654 54.000 -0.083 0.000 0.833 25 D CB -0.256 40.573 40.800 0.048 0.000 0.954 25 D HN 0.452 nan 8.370 nan 0.000 0.455 26 A N 0.819 123.404 122.820 -0.391 0.000 1.902 26 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 26 A C 2.168 179.405 177.584 -0.578 0.000 1.181 26 A CA 0.998 52.477 52.037 -0.929 0.000 0.623 26 A CB -0.613 18.149 19.000 -0.396 0.000 0.818 26 A HN 0.230 nan 8.150 nan 0.000 0.443 27 L N 0.043 121.117 121.223 -0.248 0.000 2.044 27 L HA -0.112 4.228 4.340 -0.000 0.000 0.205 27 L C 1.694 178.499 176.870 -0.109 0.000 1.075 27 L CA 2.373 57.093 54.840 -0.199 0.000 0.747 27 L CB -0.778 41.222 42.059 -0.098 0.000 0.903 27 L HN 0.329 nan 8.230 nan 0.000 0.435 28 D N -1.078 119.307 120.400 -0.024 0.000 2.157 28 D HA -0.316 4.323 4.640 -0.000 0.000 0.191 28 D C 2.034 178.341 176.300 0.012 0.000 1.004 28 D CA 2.107 56.127 54.000 0.034 0.000 0.854 28 D CB -0.374 40.455 40.800 0.048 0.000 0.936 28 D HN 0.489 nan 8.370 nan 0.000 0.446 29 Y N 1.286 121.482 120.300 -0.173 0.000 2.133 29 Y HA -0.142 4.408 4.550 -0.000 0.000 0.287 29 Y C 2.367 178.211 175.900 -0.093 0.000 1.134 29 Y CA 1.740 59.773 58.100 -0.112 0.000 1.133 29 Y CB -0.520 37.858 38.460 -0.137 0.000 0.987 29 Y HN -0.037 nan 8.280 nan 0.000 0.502 30 A N 0.595 123.361 122.820 -0.091 0.000 1.958 30 A HA -0.258 4.062 4.320 -0.000 0.000 0.221 30 A C 2.368 179.936 177.584 -0.027 0.000 1.178 30 A CA 2.063 54.038 52.037 -0.103 0.000 0.642 30 A CB -1.573 17.228 19.000 -0.332 0.000 0.816 30 A HN 0.620 nan 8.150 nan 0.000 0.453 31 A N -0.728 122.065 122.820 -0.045 0.000 2.131 31 A HA 0.009 4.329 4.320 -0.000 0.000 0.220 31 A C 1.894 179.447 177.584 -0.052 0.000 1.158 31 A CA 1.415 53.443 52.037 -0.014 0.000 0.665 31 A CB -0.491 18.500 19.000 -0.015 0.000 0.795 31 A HN 0.517 nan 8.150 nan 0.000 0.460 32 L N -0.031 121.111 121.223 -0.134 0.000 2.592 32 L HA 0.078 4.418 4.340 -0.000 0.000 0.227 32 L C 1.244 178.022 176.870 -0.154 0.000 1.127 32 L CA 0.306 55.046 54.840 -0.168 0.000 0.884 32 L CB -0.106 41.786 42.059 -0.279 0.000 1.065 32 L HN 0.478 nan 8.230 nan 0.000 0.457 33 S N -1.233 114.401 115.700 -0.110 0.000 2.687 33 S HA 0.225 4.695 4.470 -0.000 0.000 0.283 33 S C 0.872 175.462 174.600 -0.017 0.000 1.170 33 S CA -0.293 57.877 58.200 -0.049 0.000 1.008 33 S CB 1.715 64.918 63.200 0.005 0.000 1.026 33 S HN 0.171 nan 8.310 nan 0.000 0.541 34 S N 0.570 116.257 115.700 -0.021 0.000 2.685 34 S HA 0.512 4.982 4.470 -0.000 0.000 0.240 34 S C 0.531 175.094 174.600 -0.062 0.000 0.967 34 S CA -0.350 57.828 58.200 -0.037 0.000 1.009 34 S CB -0.859 62.322 63.200 -0.032 0.000 0.776 34 S HN 1.058 nan 8.310 nan 0.000 0.467 35 A N 0.534 123.322 122.820 -0.054 0.000 2.264 35 A HA 0.944 5.264 4.320 -0.000 0.000 0.304 35 A C 0.562 177.815 177.584 -0.552 0.000 1.100 35 A CA -0.223 51.722 52.037 -0.153 0.000 0.839 35 A CB 0.832 19.862 19.000 0.049 0.000 1.121 35 A HN 0.927 nan 8.150 nan 0.000 0.496 39 F N 1.806 121.714 119.950 -0.071 0.000 2.415 39 F HA 0.479 5.006 4.527 -0.000 0.000 0.348 39 F C -0.014 175.681 175.800 -0.176 0.000 1.119 39 F CA -0.474 57.547 58.000 0.035 0.000 1.069 39 F CB 0.801 39.847 39.000 0.077 0.000 1.124 39 F HN 0.329 nan 8.300 nan 0.000 0.472 40 Y N 1.157 121.594 120.300 0.228 0.000 2.446 40 Y HA 0.296 4.845 4.550 -0.000 0.000 0.338 40 Y C 0.177 176.153 175.900 0.127 0.000 1.055 40 Y CA -1.195 56.989 58.100 0.141 0.000 1.101 40 Y CB 1.273 39.788 38.460 0.090 0.000 1.221 40 Y HN 0.618 nan 8.280 nan 0.000 0.460 41 D N 0.391 120.942 120.400 0.252 0.000 2.414 41 D HA 0.095 4.735 4.640 -0.000 0.000 0.251 41 D C 0.787 177.178 176.300 0.151 0.000 1.252 41 D CA -0.673 53.424 54.000 0.163 0.000 0.999 41 D CB 0.529 41.393 40.800 0.108 0.000 1.093 41 D HN 0.646 nan 8.370 nan 0.000 0.515 42 R N -0.722 119.836 120.500 0.095 0.000 2.323 42 R HA 0.135 4.475 4.340 -0.000 0.000 0.198 42 R C 1.207 177.536 176.300 0.049 0.000 0.988 42 R CA 0.253 56.393 56.100 0.067 0.000 1.041 42 R CB -0.159 30.164 30.300 0.038 0.000 0.926 42 R HN 0.290 nan 8.270 nan 0.000 0.476 43 R N -0.433 120.104 120.500 0.062 0.000 2.365 43 R HA 0.189 4.529 4.340 -0.000 0.000 0.223 43 R C -0.223 176.108 176.300 0.051 0.000 0.899 43 R CA 0.302 56.430 56.100 0.046 0.000 1.059 43 R CB 0.382 30.707 30.300 0.043 0.000 1.086 43 R HN 0.331 nan 8.270 nan 0.000 0.522 44 C N 1.936 121.287 119.300 0.086 0.000 4.633 44 C HA -0.093 4.367 4.460 -0.000 0.000 0.293 44 C C -0.702 174.414 174.990 0.209 0.000 1.226 44 C CA 0.095 59.151 59.018 0.063 0.000 2.186 44 C CB -1.619 26.076 27.740 -0.075 0.000 1.230 44 C HN 0.413 nan 8.230 nan 0.000 0.751 45 Q N -0.021 119.945 119.800 0.277 0.000 2.256 45 Q HA 0.526 4.866 4.340 -0.000 0.000 0.257 45 Q C 0.109 176.267 176.000 0.264 0.000 0.936 45 Q CA -0.549 55.405 55.803 0.251 0.000 0.903 45 Q CB 1.402 30.215 28.738 0.124 0.000 1.263 45 Q HN 0.700 nan 8.270 nan 0.000 0.440 46 L N 2.903 124.200 121.223 0.122 0.000 2.654 46 L HA -0.078 4.262 4.340 -0.000 0.000 0.271 46 L C 1.289 178.095 176.870 -0.107 0.000 1.169 46 L CA 0.621 55.327 54.840 -0.224 0.000 0.947 46 L CB 0.322 42.286 42.059 -0.157 0.000 1.232 46 L HN 0.794 nan 8.230 nan 0.000 0.486 47 E N 2.421 122.556 120.200 -0.108 0.000 2.166 47 E HA -0.031 4.319 4.350 -0.000 0.000 0.192 47 E C -0.200 176.389 176.600 -0.018 0.000 0.967 47 E CA 0.370 56.760 56.400 -0.016 0.000 0.840 47 E CB 0.617 30.340 29.700 0.037 0.000 0.795 47 E HN 0.704 nan 8.360 nan 0.000 0.470 48 D N -0.933 119.474 120.400 0.013 0.000 2.623 48 D HA 0.160 4.799 4.640 -0.000 0.000 0.241 48 D C -1.726 174.675 176.300 0.168 0.000 1.241 48 D CA -0.452 53.570 54.000 0.036 0.000 0.788 48 D CB 1.575 42.327 40.800 -0.080 0.000 1.413 48 D HN -0.011 nan 8.370 nan 0.000 0.429 49 Q N 1.327 121.204 119.800 0.128 0.000 2.389 49 Q HA 0.661 5.001 4.340 -0.000 0.000 0.277 49 Q C -1.995 174.096 176.000 0.152 0.000 1.082 49 Q CA -0.934 54.956 55.803 0.146 0.000 0.810 49 Q CB 2.052 30.802 28.738 0.021 0.000 1.374 49 Q HN 0.387 nan 8.270 nan 0.000 0.422 50 L N 2.982 124.306 121.223 0.169 0.000 2.504 50 L HA 0.407 4.747 4.340 -0.000 0.000 0.265 50 L C -1.481 175.372 176.870 -0.027 0.000 0.975 50 L CA -0.002 54.911 54.840 0.122 0.000 0.864 50 L CB 1.874 44.103 42.059 0.284 0.000 1.212 50 L HN 0.685 nan 8.230 nan 0.000 0.416 51 E N 3.769 123.928 120.200 -0.068 0.000 2.331 51 E HA 0.131 4.481 4.350 -0.000 0.000 0.272 51 E C -0.119 176.425 176.600 -0.093 0.000 1.036 51 E CA -0.511 55.791 56.400 -0.163 0.000 0.864 51 E CB 0.698 30.337 29.700 -0.102 0.000 1.035 51 E HN 0.473 nan 8.360 nan 0.000 0.408 52 Y N 1.376 121.646 120.300 -0.050 0.000 2.241 52 Y HA -0.302 4.248 4.550 -0.000 0.000 0.286 52 Y C 2.557 178.400 175.900 -0.096 0.000 1.166 52 Y CA 1.607 59.650 58.100 -0.094 0.000 1.203 52 Y CB -0.684 37.716 38.460 -0.100 0.000 0.977 52 Y HN 0.676 nan 8.280 nan 0.000 0.529 53 Q N -0.082 119.752 119.800 0.058 0.000 2.030 53 Q HA -0.198 4.142 4.340 -0.000 0.000 0.204 53 Q C 1.888 177.882 176.000 -0.011 0.000 0.986 53 Q CA 2.748 58.556 55.803 0.007 0.000 0.843 53 Q CB -0.283 28.447 28.738 -0.013 0.000 0.904 53 Q HN 0.413 nan 8.270 nan 0.000 0.420 54 T N 1.476 116.021 114.554 -0.014 0.000 2.867 54 T HA -0.109 4.241 4.350 -0.000 0.000 0.268 54 T C 1.659 176.344 174.700 -0.025 0.000 1.057 54 T CA 0.953 63.041 62.100 -0.020 0.000 1.136 54 T CB -0.253 68.606 68.868 -0.015 0.000 0.874 54 T HN 0.263 nan 8.240 nan 0.000 0.466 55 L N 1.936 123.152 121.223 -0.012 0.000 2.042 55 L HA -0.033 4.307 4.340 -0.000 0.000 0.210 55 L C 2.296 179.096 176.870 -0.117 0.000 1.076 55 L CA 1.876 56.694 54.840 -0.038 0.000 0.749 55 L CB -0.669 41.376 42.059 -0.022 0.000 0.893 55 L HN 0.106 nan 8.230 nan 0.000 0.432 56 K N -0.677 119.653 120.400 -0.117 0.000 2.032 56 K HA -0.197 4.123 4.320 -0.000 0.000 0.209 56 K C 1.974 178.455 176.600 -0.198 0.000 1.048 56 K CA 1.497 57.680 56.287 -0.174 0.000 0.927 56 K CB -0.283 32.179 32.500 -0.063 0.000 0.712 56 K HN 0.450 nan 8.250 nan 0.000 0.441 57 A N 1.820 124.575 122.820 -0.108 0.000 1.851 57 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 57 A C 2.143 179.666 177.584 -0.103 0.000 1.195 57 A CA 1.809 53.793 52.037 -0.089 0.000 0.622 57 A CB -0.614 18.355 19.000 -0.052 0.000 0.831 57 A HN 0.396 nan 8.150 nan 0.000 0.444 58 R N -0.528 119.924 120.500 -0.080 0.000 2.081 58 R HA -0.072 4.268 4.340 -0.000 0.000 0.235 58 R C 2.474 178.736 176.300 -0.063 0.000 1.131 58 R CA 1.184 57.252 56.100 -0.053 0.000 0.960 58 R CB -0.570 29.723 30.300 -0.012 0.000 0.856 58 R HN 0.520 nan 8.270 nan 0.000 0.436 59 A N 1.691 124.432 122.820 -0.131 0.000 1.908 59 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 59 A C 1.966 179.390 177.584 -0.267 0.000 1.181 59 A CA 1.531 53.463 52.037 -0.175 0.000 0.627 59 A CB -0.337 18.463 19.000 -0.333 0.000 0.818 59 A HN 0.354 nan 8.150 nan 0.000 0.445 60 E N -0.233 119.735 120.200 -0.387 0.000 2.028 60 E HA -0.060 4.290 4.350 -0.000 0.000 0.191 60 E C 2.413 178.973 176.600 -0.066 0.000 0.988 60 E CA 0.861 57.121 56.400 -0.234 0.000 0.799 60 E CB -0.356 29.241 29.700 -0.172 0.000 0.755 60 E HN 0.594 nan 8.360 nan 0.000 0.447 61 A N 1.500 124.278 122.820 -0.070 0.000 1.849 61 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 61 A C 2.529 180.089 177.584 -0.039 0.000 1.202 61 A CA 2.128 54.134 52.037 -0.051 0.000 0.629 61 A CB -1.630 17.328 19.000 -0.070 0.000 0.834 61 A HN 0.386 nan 8.150 nan 0.000 0.447 62 G N -0.807 107.978 108.800 -0.024 0.000 2.475 62 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.220 62 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.220 62 G C 1.703 176.742 174.900 0.231 0.000 1.125 62 G CA 1.738 46.886 45.100 0.080 0.000 0.755 62 G HN 0.925 nan 8.290 nan 0.000 0.565 63 A N 0.827 123.733 122.820 0.144 0.000 1.877 63 A HA -0.032 4.288 4.320 -0.000 0.000 0.216 63 A C 2.327 179.985 177.584 0.123 0.000 1.186 63 A CA 1.975 54.103 52.037 0.151 0.000 0.620 63 A CB -0.354 18.741 19.000 0.157 0.000 0.822 63 A HN 0.392 nan 8.150 nan 0.000 0.443 64 K N -0.691 119.757 120.400 0.080 0.000 2.097 64 K HA -0.069 4.250 4.320 -0.000 0.000 0.205 64 K C 2.259 178.894 176.600 0.058 0.000 1.050 64 K CA 1.104 57.427 56.287 0.059 0.000 0.938 64 K CB -0.171 32.349 32.500 0.034 0.000 0.718 64 K HN 0.396 nan 8.250 nan 0.000 0.442 65 R N 0.856 121.385 120.500 0.048 0.000 2.081 65 R HA -0.082 4.258 4.340 -0.000 0.000 0.235 65 R C 2.330 178.717 176.300 0.144 0.000 1.131 65 R CA 1.103 57.230 56.100 0.044 0.000 0.960 65 R CB -0.448 29.792 30.300 -0.099 0.000 0.856 65 R HN 0.178 nan 8.270 nan 0.000 0.436 66 L N 0.649 122.009 121.223 0.228 0.000 2.131 66 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 66 L C 2.243 179.166 176.870 0.088 0.000 1.092 66 L CA 1.022 55.975 54.840 0.190 0.000 0.759 66 L CB -0.273 41.886 42.059 0.166 0.000 0.903 66 L HN 0.214 nan 8.230 nan 0.000 0.435 67 L N -0.630 120.639 121.223 0.078 0.000 2.376 67 L HA -0.099 4.240 4.340 -0.000 0.000 0.219 67 L C 2.575 179.472 176.870 0.044 0.000 1.133 67 L CA 0.899 55.768 54.840 0.048 0.000 0.816 67 L CB -0.336 41.752 42.059 0.049 0.000 0.933 67 L HN 0.334 nan 8.230 nan 0.000 0.449 68 S N -0.475 115.259 115.700 0.056 0.000 2.561 68 S HA 0.014 4.484 4.470 -0.000 0.000 0.225 68 S C 1.500 176.141 174.600 0.068 0.000 0.977 68 S CA 0.202 58.434 58.200 0.054 0.000 0.926 68 S CB -0.329 62.901 63.200 0.049 0.000 0.769 68 S HN 0.437 nan 8.310 nan 0.000 0.533 69 L N 1.185 122.452 121.223 0.073 0.000 2.645 69 L HA 0.302 4.642 4.340 -0.000 0.000 0.235 69 L C 0.739 177.637 176.870 0.047 0.000 1.150 69 L CA -0.054 54.841 54.840 0.093 0.000 0.911 69 L CB -1.398 40.666 42.059 0.007 0.000 1.077 69 L HN 0.375 nan 8.230 nan 0.000 0.438 70 N N 0.560 119.282 118.700 0.036 0.000 2.727 70 N HA -0.185 4.555 4.740 -0.000 0.000 0.249 70 N C -0.231 175.279 175.510 -0.001 0.000 1.048 70 N CA -0.051 53.014 53.050 0.024 0.000 0.714 70 N CB -0.637 37.873 38.487 0.037 0.000 0.959 70 N HN 0.307 nan 8.380 nan 0.000 0.544 71 L N 0.232 121.442 121.223 -0.021 0.000 2.436 71 L HA 0.285 4.624 4.340 -0.000 0.000 0.265 71 L C 0.707 177.570 176.870 -0.012 0.000 1.168 71 L CA 0.069 54.886 54.840 -0.038 0.000 0.815 71 L CB 0.811 42.833 42.059 -0.061 0.000 1.109 71 L HN 0.088 nan 8.230 nan 0.000 0.462 72 K N 1.740 122.133 120.400 -0.011 0.000 2.203 72 K HA 0.330 4.650 4.320 -0.000 0.000 0.251 72 K C -0.733 175.867 176.600 0.001 0.000 0.944 72 K CA -1.108 55.179 56.287 0.001 0.000 0.829 72 K CB 2.182 34.685 32.500 0.006 0.000 1.125 72 K HN 0.338 nan 8.250 nan 0.000 0.430 73 K N 0.264 120.668 120.400 0.006 0.000 2.561 73 K HA -0.092 4.228 4.320 -0.000 0.000 0.280 73 K C 0.841 177.447 176.600 0.010 0.000 0.975 73 K CA 1.699 57.990 56.287 0.007 0.000 1.024 73 K CB -0.087 32.418 32.500 0.009 0.000 0.883 73 K HN 0.770 nan 8.250 nan 0.000 0.496 74 G N 2.431 111.236 108.800 0.008 0.000 2.284 74 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.247 74 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.247 74 G C -0.088 174.821 174.900 0.014 0.000 1.012 74 G CA 0.230 45.342 45.100 0.019 0.000 0.618 74 G HN 0.778 nan 8.290 nan 0.000 0.521 75 D N 1.121 121.521 120.400 0.001 0.000 2.419 75 D HA 0.381 5.021 4.640 -0.000 0.000 0.236 75 D C 1.027 177.300 176.300 -0.045 0.000 1.165 75 D CA 0.469 54.462 54.000 -0.012 0.000 0.882 75 D CB 0.365 41.150 40.800 -0.026 0.000 1.201 75 D HN 0.478 nan 8.370 nan 0.000 0.443 76 R N 0.272 120.738 120.500 -0.056 0.000 2.589 76 R HA 0.612 4.952 4.340 -0.000 0.000 0.293 76 R C -0.926 175.321 176.300 -0.088 0.000 0.963 76 R CA -0.876 55.168 56.100 -0.093 0.000 0.905 76 R CB 1.933 32.153 30.300 -0.132 0.000 1.144 76 R HN 0.065 nan 8.270 nan 0.000 0.459 77 V N 2.306 122.160 119.914 -0.101 0.000 2.409 77 V HA 0.448 4.568 4.120 -0.000 0.000 0.290 77 V C -0.196 175.854 176.094 -0.074 0.000 1.017 77 V CA -0.901 61.339 62.300 -0.100 0.000 0.841 77 V CB 1.610 33.350 31.823 -0.138 0.000 1.003 77 V HN 0.965 nan 8.190 nan 0.000 0.426 78 A N 6.486 129.279 122.820 -0.046 0.000 2.425 78 A HA 0.815 5.135 4.320 -0.000 0.000 0.249 78 A C -0.575 177.028 177.584 0.033 0.000 1.084 78 A CA -0.039 51.996 52.037 -0.002 0.000 0.781 78 A CB 0.272 19.261 19.000 -0.017 0.000 1.019 78 A HN 0.810 nan 8.150 nan 0.000 0.490 79 L N 2.658 123.959 121.223 0.129 0.000 2.439 79 L HA 0.337 4.677 4.340 -0.000 0.000 0.270 79 L C -0.975 176.068 176.870 0.289 0.000 0.972 79 L CA -0.747 54.237 54.840 0.240 0.000 0.836 79 L CB 1.777 44.071 42.059 0.392 0.000 1.255 79 L HN 0.554 nan 8.230 nan 0.000 0.404 80 I N 2.892 123.610 120.570 0.247 0.000 2.581 80 I HA 0.017 4.187 4.170 -0.000 0.000 0.285 80 I C 1.081 177.238 176.117 0.067 0.000 1.129 80 I CA 0.721 62.124 61.300 0.172 0.000 1.397 80 I CB 1.340 39.443 38.000 0.170 0.000 1.399 80 I HN 0.691 nan 8.210 nan 0.000 0.537 81 A N 7.192 129.935 122.820 -0.128 0.000 3.074 81 A HA 0.185 4.504 4.320 -0.000 0.000 0.251 81 A C 0.622 177.943 177.584 -0.437 0.000 1.695 81 A CA -0.423 51.204 52.037 -0.684 0.000 1.343 81 A CB -0.993 17.798 19.000 -0.348 0.000 1.078 81 A HN 0.724 nan 8.150 nan 0.000 0.644 82 E N 0.243 120.304 120.200 -0.231 0.000 2.390 82 E HA 0.150 4.500 4.350 -0.000 0.000 0.261 82 E C -0.269 176.341 176.600 0.017 0.000 1.076 82 E CA 0.080 56.457 56.400 -0.039 0.000 0.905 82 E CB 0.519 30.268 29.700 0.082 0.000 0.984 82 E HN 0.341 nan 8.360 nan 0.000 0.427 83 T N 2.570 117.107 114.554 -0.029 0.000 2.855 83 T HA 0.245 4.595 4.350 -0.000 0.000 0.290 83 T C -0.569 174.245 174.700 0.189 0.000 0.941 83 T CA -0.287 61.823 62.100 0.017 0.000 1.030 83 T CB -0.364 68.341 68.868 -0.271 0.000 0.935 83 T HN 0.492 nan 8.240 nan 0.000 0.564 84 S N 1.259 117.121 115.700 0.270 0.000 2.586 84 S HA 0.360 4.830 4.470 -0.000 0.000 0.277 84 S C 0.889 175.341 174.600 -0.246 0.000 1.131 84 S CA -0.907 57.153 58.200 -0.232 0.000 0.848 84 S CB 1.211 64.316 63.200 -0.158 0.000 1.091 84 S HN 0.198 nan 8.310 nan 0.000 0.453 85 S N 0.919 116.193 115.700 -0.709 0.000 2.368 85 S HA -0.203 4.267 4.470 -0.000 0.000 0.226 85 S C 1.669 176.231 174.600 -0.062 0.000 1.044 85 S CA 2.183 60.235 58.200 -0.248 0.000 1.062 85 S CB -0.738 62.305 63.200 -0.261 0.000 0.931 85 S HN 0.811 nan 8.310 nan 0.000 0.440 86 E N -0.535 119.572 120.200 -0.156 0.000 2.113 86 E HA -0.256 4.093 4.350 -0.000 0.000 0.210 86 E C 1.800 178.387 176.600 -0.021 0.000 1.040 86 E CA 1.856 58.126 56.400 -0.217 0.000 0.847 86 E CB -0.313 28.962 29.700 -0.708 0.000 0.755 86 E HN 0.601 nan 8.360 nan 0.000 0.459 87 F N 1.002 120.898 119.950 -0.089 0.000 2.113 87 F HA -0.180 4.347 4.527 -0.000 0.000 0.297 87 F C 2.157 178.045 175.800 0.147 0.000 1.103 87 F CA 1.044 59.117 58.000 0.121 0.000 1.248 87 F CB -0.371 38.706 39.000 0.129 0.000 0.999 87 F HN -0.197 nan 8.300 nan 0.000 0.475 88 V N 0.769 120.699 119.914 0.027 0.000 2.324 88 V HA -0.332 3.788 4.120 -0.000 0.000 0.250 88 V C 2.246 178.428 176.094 0.147 0.000 1.060 88 V CA 2.431 64.729 62.300 -0.004 0.000 1.042 88 V CB -0.892 31.053 31.823 0.203 0.000 0.650 88 V HN 0.378 nan 8.190 nan 0.000 0.450 89 E N 0.384 120.676 120.200 0.153 0.000 2.072 89 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 89 E C 2.317 179.051 176.600 0.223 0.000 0.985 89 E CA 1.273 57.792 56.400 0.198 0.000 0.801 89 E CB -0.401 29.405 29.700 0.177 0.000 0.750 89 E HN 0.597 nan 8.360 nan 0.000 0.452 90 A N 0.713 123.641 122.820 0.180 0.000 1.969 90 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 90 A C 1.946 179.488 177.584 -0.070 0.000 1.169 90 A CA 0.871 52.943 52.037 0.059 0.000 0.635 90 A CB -0.608 18.409 19.000 0.027 0.000 0.810 90 A HN 0.329 nan 8.150 nan 0.000 0.445 91 F N -0.732 119.018 119.950 -0.332 0.000 2.146 91 F HA -0.066 4.461 4.527 -0.000 0.000 0.298 91 F C 1.733 177.344 175.800 -0.315 0.000 1.096 91 F CA 1.481 59.200 58.000 -0.469 0.000 1.275 91 F CB -0.222 38.271 39.000 -0.845 0.000 1.008 91 F HN 0.206 nan 8.300 nan 0.000 0.480 92 F N 0.050 120.086 119.950 0.144 0.000 2.367 92 F HA 0.099 4.626 4.527 -0.000 0.000 0.298 92 F C 2.475 178.356 175.800 0.134 0.000 1.094 92 F CA 0.815 58.921 58.000 0.177 0.000 1.409 92 F CB -1.097 38.020 39.000 0.196 0.000 1.064 92 F HN 0.045 nan 8.300 nan 0.000 0.528 93 A N -0.568 122.387 122.820 0.225 0.000 1.892 93 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 93 A C 2.348 180.006 177.584 0.124 0.000 1.188 93 A CA 2.074 54.219 52.037 0.180 0.000 0.631 93 A CB -1.556 17.599 19.000 0.258 0.000 0.822 93 A HN 0.472 nan 8.150 nan 0.000 0.447 94 C N -1.016 118.268 119.300 -0.026 0.000 2.393 94 C HA -0.157 4.303 4.460 -0.000 0.000 0.276 94 C C 3.007 177.969 174.990 -0.048 0.000 1.215 94 C CA 1.367 60.316 59.018 -0.115 0.000 1.743 94 C CB -1.163 26.382 27.740 -0.324 0.000 2.044 94 C HN 0.642 nan 8.230 nan 0.000 0.464 95 Q N -0.465 119.312 119.800 -0.039 0.000 2.020 95 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 95 Q C 1.893 177.971 176.000 0.131 0.000 0.982 95 Q CA 1.835 57.675 55.803 0.061 0.000 0.838 95 Q CB -0.908 27.899 28.738 0.114 0.000 0.899 95 Q HN 0.787 nan 8.270 nan 0.000 0.423 96 Y N 0.720 121.066 120.300 0.078 0.000 2.256 96 Y HA -0.139 4.411 4.550 -0.000 0.000 0.288 96 Y C 2.238 178.162 175.900 0.039 0.000 1.155 96 Y CA 1.174 59.314 58.100 0.067 0.000 1.203 96 Y CB -0.474 38.038 38.460 0.087 0.000 0.980 96 Y HN 0.156 nan 8.280 nan 0.000 0.530 97 A N -0.610 122.319 122.820 0.182 0.000 2.238 97 A HA 0.331 4.651 4.320 -0.000 0.000 0.208 97 A C 2.013 179.626 177.584 0.049 0.000 1.177 97 A CA 0.799 52.897 52.037 0.101 0.000 0.804 97 A CB -1.156 17.895 19.000 0.085 0.000 0.823 97 A HN 0.599 nan 8.150 nan 0.000 0.482 98 G N -0.992 107.831 108.800 0.038 0.000 2.198 98 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.260 98 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.260 98 G C 0.001 174.905 174.900 0.007 0.000 1.025 98 G CA 0.610 45.722 45.100 0.020 0.000 0.769 98 G HN 0.478 nan 8.290 nan 0.000 0.507 99 L N -0.510 120.704 121.223 -0.015 0.000 2.344 99 L HA 0.629 4.969 4.340 -0.000 0.000 0.272 99 L C 0.652 177.464 176.870 -0.097 0.000 1.035 99 L CA -1.363 53.446 54.840 -0.052 0.000 0.807 99 L CB 1.923 43.944 42.059 -0.064 0.000 1.237 99 L HN -0.104 nan 8.230 nan 0.000 0.442 100 V N 2.143 121.992 119.914 -0.108 0.000 2.353 100 V HA 0.303 4.423 4.120 -0.000 0.000 0.264 100 V C 0.620 176.611 176.094 -0.171 0.000 1.049 100 V CA -0.539 61.676 62.300 -0.143 0.000 0.896 100 V CB 0.962 32.700 31.823 -0.141 0.000 1.025 100 V HN 0.828 nan 8.190 nan 0.000 0.475 101 A N 5.263 127.937 122.820 -0.243 0.000 2.450 101 A HA 0.568 4.888 4.320 -0.000 0.000 0.255 101 A C -0.174 177.372 177.584 -0.064 0.000 1.096 101 A CA -0.157 51.713 52.037 -0.278 0.000 0.778 101 A CB 0.500 19.046 19.000 -0.756 0.000 1.031 101 A HN 0.687 nan 8.150 nan 0.000 0.494 102 V N 6.412 126.330 119.914 0.007 0.000 2.327 102 V HA 0.254 4.374 4.120 -0.000 0.000 0.272 102 V C -2.429 173.775 176.094 0.182 0.000 1.019 102 V CA -1.378 60.991 62.300 0.115 0.000 0.814 102 V CB 1.210 33.079 31.823 0.076 0.000 1.040 102 V HN 0.767 nan 8.190 nan 0.000 0.440 103 P HA 0.349 nan 4.420 nan 0.000 0.271 103 P C -0.710 176.730 177.300 0.234 0.000 1.216 103 P CA 0.105 63.408 63.100 0.338 0.000 0.776 103 P CB 0.818 32.749 31.700 0.385 0.000 0.881 104 L N 1.297 122.632 121.223 0.186 0.000 2.371 104 L HA 0.681 5.021 4.340 -0.000 0.000 0.262 104 L C 0.263 177.202 176.870 0.116 0.000 1.006 104 L CA -1.453 53.462 54.840 0.125 0.000 0.818 104 L CB 2.098 44.199 42.059 0.068 0.000 1.354 104 L HN 0.304 nan 8.230 nan 0.000 0.415 105 A N 2.232 125.085 122.820 0.055 0.000 2.462 105 A HA 0.447 4.767 4.320 -0.000 0.000 0.243 105 A C 0.003 177.482 177.584 -0.174 0.000 1.076 105 A CA -0.241 51.660 52.037 -0.226 0.000 0.773 105 A CB -0.125 18.610 19.000 -0.442 0.000 1.010 105 A HN 0.579 nan 8.150 nan 0.000 0.493 106 I N 2.745 123.037 120.570 -0.462 0.000 2.752 106 I HA 0.081 4.251 4.170 -0.000 0.000 0.287 106 I C -1.647 173.903 176.117 -0.945 0.000 1.188 106 I CA -1.173 59.700 61.300 -0.711 0.000 1.427 106 I CB 0.022 37.742 38.000 -0.465 0.000 1.365 106 I HN 0.489 nan 8.210 nan 0.000 0.585 116 W N 3.010 124.268 121.300 -0.070 0.000 2.332 116 W HA -0.021 4.638 4.660 -0.000 0.000 0.321 116 W C 2.178 178.646 176.519 -0.084 0.000 1.219 116 W CA 2.625 59.909 57.345 -0.101 0.000 1.277 116 W CB -0.681 28.694 29.460 -0.143 0.000 1.161 116 W HN 0.357 nan 8.180 nan 0.000 0.476 117 S N 0.313 116.138 115.700 0.209 0.000 2.419 117 S HA -0.215 4.255 4.470 -0.000 0.000 0.235 117 S C 1.855 176.404 174.600 -0.086 0.000 1.019 117 S CA 1.228 59.456 58.200 0.047 0.000 0.982 117 S CB -0.895 62.398 63.200 0.155 0.000 0.789 117 S HN 0.433 nan 8.310 nan 0.000 0.490 118 A N 2.101 124.886 122.820 -0.059 0.000 1.832 118 A HA -0.127 4.193 4.320 -0.000 0.000 0.214 118 A C 2.025 179.515 177.584 -0.156 0.000 1.200 118 A CA 1.533 53.524 52.037 -0.076 0.000 0.610 118 A CB -0.574 18.405 19.000 -0.036 0.000 0.842 118 A HN 0.446 nan 8.150 nan 0.000 0.444 119 K N -0.755 119.516 120.400 -0.213 0.000 2.113 119 K HA -0.164 4.156 4.320 -0.000 0.000 0.208 119 K C 1.785 178.148 176.600 -0.395 0.000 1.047 119 K CA 1.407 57.522 56.287 -0.287 0.000 0.928 119 K CB -0.406 31.899 32.500 -0.326 0.000 0.716 119 K HN 0.358 nan 8.250 nan 0.000 0.446 120 L N 1.514 122.416 121.223 -0.535 0.000 2.191 120 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 120 L C 2.036 178.713 176.870 -0.321 0.000 1.103 120 L CA 1.698 56.204 54.840 -0.557 0.000 0.769 120 L CB -0.241 41.411 42.059 -0.678 0.000 0.908 120 L HN 0.161 nan 8.230 nan 0.000 0.438 121 Q N -1.349 118.315 119.800 -0.227 0.000 2.062 121 Q HA -0.013 4.327 4.340 -0.000 0.000 0.196 121 Q C 2.127 178.043 176.000 -0.140 0.000 0.967 121 Q CA 1.189 56.906 55.803 -0.144 0.000 0.832 121 Q CB -0.484 28.202 28.738 -0.087 0.000 0.899 121 Q HN 0.593 nan 8.270 nan 0.000 0.442 122 G N 0.958 109.670 108.800 -0.147 0.000 2.442 122 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.219 122 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.219 122 G C 1.285 176.067 174.900 -0.196 0.000 1.141 122 G CA 0.480 45.501 45.100 -0.131 0.000 0.763 122 G HN 0.172 nan 8.290 nan 0.000 0.554 123 L N -0.180 120.865 121.223 -0.296 0.000 1.988 123 L HA 0.050 4.390 4.340 -0.000 0.000 0.207 123 L C 2.948 179.604 176.870 -0.356 0.000 1.071 123 L CA 1.254 55.820 54.840 -0.457 0.000 0.744 123 L CB -1.138 40.625 42.059 -0.494 0.000 0.893 123 L HN 0.115 nan 8.230 nan 0.000 0.433 124 L N -0.010 121.065 121.223 -0.247 0.000 1.989 124 L HA -0.182 4.158 4.340 -0.000 0.000 0.211 124 L C 2.783 179.602 176.870 -0.085 0.000 1.071 124 L CA 2.082 56.832 54.840 -0.150 0.000 0.749 124 L CB -1.504 40.486 42.059 -0.114 0.000 0.890 124 L HN 0.289 nan 8.230 nan 0.000 0.431 125 A N -1.669 121.107 122.820 -0.073 0.000 1.915 125 A HA -0.338 3.982 4.320 -0.000 0.000 0.220 125 A C 2.632 180.227 177.584 0.017 0.000 1.198 125 A CA 2.659 54.682 52.037 -0.022 0.000 0.647 125 A CB -1.128 17.859 19.000 -0.022 0.000 0.825 125 A HN 0.467 nan 8.150 nan 0.000 0.456 126 S N -1.175 114.528 115.700 0.005 0.000 2.345 126 S HA -0.163 4.307 4.470 -0.000 0.000 0.219 126 S C 2.143 176.894 174.600 0.251 0.000 1.031 126 S CA 1.721 59.995 58.200 0.122 0.000 0.984 126 S CB -0.821 62.459 63.200 0.133 0.000 0.874 126 S HN 1.093 nan 8.310 nan 0.000 0.451 127 C N 1.171 120.540 119.300 0.115 0.000 2.514 127 C HA 0.403 4.863 4.460 -0.000 0.000 0.271 127 C C 0.890 175.928 174.990 0.080 0.000 1.399 127 C CA -0.087 58.987 59.018 0.094 0.000 1.765 127 C CB -1.801 25.920 27.740 -0.032 0.000 1.893 127 C HN 0.679 nan 8.230 nan 0.000 0.531 128 Q N 1.109 120.945 119.800 0.060 0.000 2.448 128 Q HA -0.132 4.208 4.340 -0.000 0.000 0.356 128 Q C -2.176 173.838 176.000 0.023 0.000 1.430 128 Q CA 0.479 56.314 55.803 0.054 0.000 1.011 128 Q CB -1.301 27.501 28.738 0.106 0.000 1.203 128 Q HN 0.638 nan 8.270 nan 0.000 0.351 129 P HA 0.159 nan 4.420 nan 0.000 0.276 129 P C -0.016 177.275 177.300 -0.015 0.000 1.244 129 P CA 0.035 63.117 63.100 -0.030 0.000 0.801 129 P CB 1.336 33.008 31.700 -0.045 0.000 1.006 130 A N 1.263 124.061 122.820 -0.038 0.000 2.081 130 A HA 0.482 4.802 4.320 -0.000 0.000 0.214 130 A C 1.013 178.562 177.584 -0.059 0.000 1.158 130 A CA 1.186 53.191 52.037 -0.054 0.000 0.724 130 A CB -0.379 18.555 19.000 -0.110 0.000 0.826 130 A HN 0.747 nan 8.150 nan 0.000 0.463 131 A N -1.178 121.611 122.820 -0.050 0.000 2.583 131 A HA 0.749 5.069 4.320 -0.000 0.000 0.289 131 A C -1.221 176.358 177.584 -0.009 0.000 1.151 131 A CA -0.259 51.773 52.037 -0.008 0.000 0.695 131 A CB 0.837 19.801 19.000 -0.059 0.000 1.290 131 A HN 0.861 nan 8.150 nan 0.000 0.419 132 I N 0.314 120.893 120.570 0.015 0.000 2.649 132 I HA 0.562 4.732 4.170 -0.000 0.000 0.289 132 I C -1.932 174.174 176.117 -0.019 0.000 1.222 132 I CA -0.741 60.558 61.300 -0.000 0.000 1.046 132 I CB 1.236 39.254 38.000 0.030 0.000 1.272 132 I HN 0.563 nan 8.210 nan 0.000 0.425 133 I N 6.683 127.196 120.570 -0.095 0.000 2.339 133 I HA 0.435 4.605 4.170 -0.000 0.000 0.290 133 I C -0.067 175.953 176.117 -0.162 0.000 0.994 133 I CA -0.389 60.771 61.300 -0.235 0.000 1.191 133 I CB 1.723 39.416 38.000 -0.511 0.000 1.343 133 I HN 0.543 nan 8.210 nan 0.000 0.458 134 T N 3.762 118.257 114.554 -0.097 0.000 2.906 134 T HA 0.621 4.971 4.350 -0.000 0.000 0.295 134 T C 0.171 175.010 174.700 0.232 0.000 1.075 134 T CA -0.432 61.749 62.100 0.136 0.000 1.005 134 T CB 1.722 70.705 68.868 0.192 0.000 1.136 134 T HN 0.745 nan 8.240 nan 0.000 0.498 135 G N 1.579 110.613 108.800 0.391 0.000 2.699 135 G HA2 0.172 4.132 3.960 -0.000 0.000 0.246 135 G HA3 0.172 4.132 3.960 -0.000 0.000 0.246 135 G C 0.636 175.541 174.900 0.008 0.000 1.219 135 G CA -0.244 44.996 45.100 0.232 0.000 0.866 135 G HN 0.810 nan 8.290 nan 0.000 0.572 136 D N -0.571 119.761 120.400 -0.114 0.000 2.123 136 D HA -0.135 4.505 4.640 -0.000 0.000 0.196 136 D C 2.117 178.248 176.300 -0.282 0.000 0.992 136 D CA 1.315 55.189 54.000 -0.210 0.000 0.833 136 D CB -0.147 40.530 40.800 -0.204 0.000 0.954 136 D HN 0.746 nan 8.370 nan 0.000 0.455 137 E N -0.521 119.404 120.200 -0.459 0.000 2.114 137 E HA -0.204 4.146 4.350 -0.000 0.000 0.199 137 E C 1.320 177.493 176.600 -0.711 0.000 1.008 137 E CA 1.355 57.292 56.400 -0.772 0.000 0.810 137 E CB -0.164 28.752 29.700 -1.308 0.000 0.739 137 E HN 0.439 nan 8.360 nan 0.000 0.456 138 W N -0.159 121.073 121.300 -0.113 0.000 3.290 138 W HA 0.168 4.828 4.660 -0.000 0.000 0.287 138 W C 1.542 178.017 176.519 -0.073 0.000 1.288 138 W CA -0.978 56.288 57.345 -0.131 0.000 1.725 138 W CB 0.098 29.454 29.460 -0.174 0.000 1.103 138 W HN 0.156 nan 8.180 nan 0.000 0.670 139 L N 2.323 123.562 121.223 0.028 0.000 2.017 139 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 139 L C -0.498 176.391 176.870 0.032 0.000 1.073 139 L CA 2.168 57.008 54.840 -0.001 0.000 0.745 139 L CB -1.697 40.280 42.059 -0.138 0.000 0.894 139 L HN -0.227 nan 8.230 nan 0.000 0.432 140 P HA -0.192 nan 4.420 nan 0.000 0.214 140 P C 2.241 179.574 177.300 0.055 0.000 1.163 140 P CA 1.398 64.515 63.100 0.027 0.000 0.883 140 P CB -0.090 31.613 31.700 0.005 0.000 0.788 141 L N -0.623 120.657 121.223 0.094 0.000 2.013 141 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 141 L C 2.177 179.153 176.870 0.178 0.000 1.073 141 L CA 1.773 56.699 54.840 0.143 0.000 0.753 141 L CB -0.711 41.455 42.059 0.178 0.000 0.890 141 L HN -0.149 nan 8.230 nan 0.000 0.432 142 V N 0.125 120.158 119.914 0.199 0.000 2.261 142 V HA -0.309 3.811 4.120 -0.000 0.000 0.246 142 V C 2.274 178.412 176.094 0.073 0.000 1.047 142 V CA 2.056 64.473 62.300 0.194 0.000 1.015 142 V CB -0.852 31.088 31.823 0.194 0.000 0.642 142 V HN 0.527 nan 8.190 nan 0.000 0.446 143 N N 0.423 119.144 118.700 0.035 0.000 2.132 143 N HA -0.207 4.533 4.740 -0.000 0.000 0.191 143 N C 1.814 177.160 175.510 -0.274 0.000 1.015 143 N CA 1.883 54.903 53.050 -0.050 0.000 0.864 143 N CB -0.418 38.066 38.487 -0.004 0.000 1.006 143 N HN 0.538 nan 8.380 nan 0.000 0.430 144 A N 0.662 123.331 122.820 -0.250 0.000 1.897 144 A HA 0.149 4.469 4.320 -0.000 0.000 0.215 144 A C 2.179 179.632 177.584 -0.219 0.000 1.181 144 A CA 1.560 53.348 52.037 -0.414 0.000 0.620 144 A CB -0.638 18.314 19.000 -0.081 0.000 0.821 144 A HN 0.296 nan 8.150 nan 0.000 0.443 145 A N -1.560 121.230 122.820 -0.050 0.000 2.239 145 A HA 0.124 4.444 4.320 -0.000 0.000 0.209 145 A C 1.951 179.524 177.584 -0.018 0.000 1.171 145 A CA 1.750 53.786 52.037 -0.001 0.000 0.768 145 A CB -0.619 18.394 19.000 0.021 0.000 0.790 145 A HN 0.394 nan 8.150 nan 0.000 0.478 146 T N -2.061 112.460 114.554 -0.055 0.000 3.046 146 T HA 0.110 4.460 4.350 -0.000 0.000 0.242 146 T C 1.320 176.050 174.700 0.049 0.000 1.018 146 T CA 0.692 62.787 62.100 -0.009 0.000 1.131 146 T CB -0.289 68.574 68.868 -0.008 0.000 0.904 146 T HN 0.700 nan 8.240 nan 0.000 0.459 147 H N 1.056 120.152 119.070 0.043 0.000 1.501 147 H HA -0.255 4.301 4.556 -0.000 0.000 0.102 147 H C 0.843 176.187 175.328 0.027 0.000 1.215 147 H CA 2.205 58.274 56.048 0.035 0.000 1.877 147 H CB -0.373 29.408 29.762 0.032 0.000 2.232 147 H HN 0.288 nan 8.280 nan 0.000 0.950 148 D N 0.536 121.034 120.400 0.163 0.000 2.323 148 D HA 0.057 4.697 4.640 -0.000 0.000 0.239 148 D C -0.303 176.036 176.300 0.064 0.000 1.129 148 D CA 0.120 54.175 54.000 0.090 0.000 0.865 148 D CB 0.112 40.949 40.800 0.062 0.000 0.913 148 D HN 0.262 nan 8.370 nan 0.000 0.517 149 N N 0.459 119.199 118.700 0.067 0.000 2.816 149 N HA 0.143 4.883 4.740 -0.000 0.000 0.236 149 N C -2.073 173.470 175.510 0.055 0.000 1.076 149 N CA -1.165 51.916 53.050 0.052 0.000 0.902 149 N CB 1.792 40.304 38.487 0.042 0.000 1.149 149 N HN -0.001 nan 8.380 nan 0.000 0.506 150 P HA 0.124 nan 4.420 nan 0.000 0.238 150 P C 0.343 177.669 177.300 0.043 0.000 1.183 150 P CA 0.612 63.735 63.100 0.037 0.000 0.813 150 P CB 0.586 32.303 31.700 0.028 0.000 0.944 151 E N -0.604 119.633 120.200 0.063 0.000 2.445 151 E HA 0.049 4.399 4.350 -0.000 0.000 0.189 151 E C -0.010 176.684 176.600 0.156 0.000 1.069 151 E CA -0.098 56.361 56.400 0.098 0.000 0.871 151 E CB -0.088 29.659 29.700 0.077 0.000 0.991 151 E HN 0.134 nan 8.360 nan 0.000 0.481 152 L N 2.036 123.338 121.223 0.132 0.000 2.257 152 L HA 0.187 4.527 4.340 -0.000 0.000 0.290 152 L C -0.796 176.199 176.870 0.208 0.000 1.044 152 L CA -0.810 54.122 54.840 0.153 0.000 0.810 152 L CB 0.195 42.306 42.059 0.087 0.000 1.193 152 L HN -0.047 nan 8.230 nan 0.000 0.425 153 H N 3.535 122.627 119.070 0.037 0.000 2.848 153 H HA 0.324 4.880 4.556 -0.000 0.000 0.317 153 H C -0.408 174.965 175.328 0.076 0.000 1.046 153 H CA -0.230 55.851 56.048 0.054 0.000 1.470 153 H CB 0.605 30.399 29.762 0.054 0.000 1.483 153 H HN 0.334 nan 8.280 nan 0.000 0.548 154 V N 6.066 126.102 119.914 0.202 0.000 2.398 154 V HA 0.309 4.429 4.120 -0.000 0.000 0.286 154 V C 0.031 176.327 176.094 0.337 0.000 1.026 154 V CA -0.636 61.794 62.300 0.218 0.000 0.868 154 V CB 1.172 33.114 31.823 0.199 0.000 0.982 154 V HN 0.530 nan 8.190 nan 0.000 0.443 155 L N 4.318 125.704 121.223 0.272 0.000 2.410 155 L HA 0.554 4.894 4.340 -0.000 0.000 0.270 155 L C 0.337 177.265 176.870 0.097 0.000 0.983 155 L CA -0.322 54.727 54.840 0.349 0.000 0.822 155 L CB 2.534 44.755 42.059 0.270 0.000 1.285 155 L HN 0.768 nan 8.230 nan 0.000 0.409 156 S N 0.207 115.851 115.700 -0.094 0.000 2.603 156 S HA 0.199 4.669 4.470 -0.000 0.000 0.268 156 S C 1.043 175.619 174.600 -0.040 0.000 1.317 156 S CA -0.485 57.548 58.200 -0.277 0.000 1.012 156 S CB 0.707 63.456 63.200 -0.752 0.000 0.926 156 S HN 0.629 nan 8.310 nan 0.000 0.539 157 H N 1.495 120.586 119.070 0.034 0.000 2.457 157 H HA -0.095 4.461 4.556 -0.000 0.000 0.297 157 H C 2.253 177.682 175.328 0.169 0.000 1.092 157 H CA 1.697 57.849 56.048 0.174 0.000 1.309 157 H CB -0.432 29.410 29.762 0.133 0.000 1.382 157 H HN 0.811 nan 8.280 nan 0.000 0.535 158 A N 0.791 123.686 122.820 0.126 0.000 1.872 158 A HA -0.137 4.183 4.320 -0.000 0.000 0.214 158 A C 2.044 179.757 177.584 0.214 0.000 1.187 158 A CA 0.835 52.928 52.037 0.093 0.000 0.614 158 A CB -0.769 18.217 19.000 -0.023 0.000 0.826 158 A HN 0.327 nan 8.150 nan 0.000 0.442 159 W N -0.755 120.613 121.300 0.112 0.000 2.342 159 W HA -0.146 4.514 4.660 -0.000 0.000 0.297 159 W C 2.067 178.665 176.519 0.132 0.000 1.213 159 W CA 0.663 58.066 57.345 0.098 0.000 1.251 159 W CB -1.582 27.933 29.460 0.093 0.000 1.136 159 W HN 0.475 nan 8.180 nan 0.000 0.526 160 F N 1.854 121.949 119.950 0.242 0.000 2.102 160 F HA -0.185 4.342 4.527 -0.000 0.000 0.298 160 F C 2.038 177.912 175.800 0.123 0.000 1.105 160 F CA 1.920 60.008 58.000 0.146 0.000 1.239 160 F CB -0.629 38.414 39.000 0.073 0.000 0.991 160 F HN -0.219 nan 8.300 nan 0.000 0.474 161 K N -0.044 120.272 120.400 -0.140 0.000 2.362 161 K HA 0.009 4.329 4.320 -0.000 0.000 0.200 161 K C 2.112 178.640 176.600 -0.120 0.000 1.046 161 K CA 0.724 56.866 56.287 -0.242 0.000 0.952 161 K CB -0.289 32.177 32.500 -0.056 0.000 0.753 161 K HN 0.381 nan 8.250 nan 0.000 0.466 162 A N 0.715 123.534 122.820 -0.002 0.000 1.935 162 A HA 0.022 4.342 4.320 -0.000 0.000 0.214 162 A C 0.536 178.118 177.584 -0.003 0.000 1.178 162 A CA 0.155 52.210 52.037 0.029 0.000 0.640 162 A CB -0.094 18.973 19.000 0.112 0.000 0.825 162 A HN 0.073 nan 8.150 nan 0.000 0.447 163 L N 0.568 121.791 121.223 -0.000 0.000 2.581 163 L HA 0.083 4.423 4.340 -0.000 0.000 0.299 163 L C -2.278 174.577 176.870 -0.026 0.000 1.261 163 L CA -0.777 54.066 54.840 0.006 0.000 0.866 163 L CB -0.512 41.574 42.059 0.045 0.000 1.113 163 L HN 0.117 nan 8.230 nan 0.000 0.514 164 P HA 0.189 nan 4.420 nan 0.000 0.285 164 P C -1.052 176.245 177.300 -0.005 0.000 1.259 164 P CA -0.606 62.489 63.100 -0.009 0.000 0.794 164 P CB 0.491 32.192 31.700 0.001 0.000 0.940 165 E N 1.617 121.810 120.200 -0.012 0.000 2.328 165 E HA 0.277 4.627 4.350 -0.000 0.000 0.265 165 E C 0.234 176.840 176.600 0.010 0.000 1.057 165 E CA -0.359 56.039 56.400 -0.003 0.000 0.916 165 E CB 0.321 30.016 29.700 -0.009 0.000 0.993 165 E HN 0.446 nan 8.360 nan 0.000 0.446 166 A N 3.718 126.551 122.820 0.021 0.000 2.540 166 A HA -0.074 4.246 4.320 -0.000 0.000 0.239 166 A C 0.268 177.864 177.584 0.020 0.000 1.061 166 A CA -0.253 51.798 52.037 0.024 0.000 0.758 166 A CB 0.183 19.202 19.000 0.031 0.000 0.991 166 A HN 0.633 nan 8.150 nan 0.000 0.502 167 D N 1.436 121.847 120.400 0.017 0.000 2.441 167 D HA 0.324 4.964 4.640 -0.000 0.000 0.243 167 D C -0.121 176.190 176.300 0.018 0.000 1.257 167 D CA 0.766 54.775 54.000 0.016 0.000 1.027 167 D CB -0.472 40.335 40.800 0.013 0.000 1.084 167 D HN 0.692 nan 8.370 nan 0.000 0.514 168 V N -0.081 119.846 119.914 0.022 0.000 3.178 168 V HA 0.882 5.002 4.120 -0.000 0.000 0.302 168 V C -0.803 175.308 176.094 0.029 0.000 1.262 168 V CA -1.170 61.145 62.300 0.024 0.000 1.030 168 V CB 1.287 33.127 31.823 0.027 0.000 1.074 168 V HN 0.361 nan 8.190 nan 0.000 0.438 169 A N 3.198 126.035 122.820 0.028 0.000 2.305 169 A HA 0.799 5.119 4.320 -0.000 0.000 0.322 169 A C -0.398 177.210 177.584 0.039 0.000 1.187 169 A CA -0.722 51.334 52.037 0.033 0.000 0.825 169 A CB 0.692 19.707 19.000 0.026 0.000 1.164 169 A HN 0.959 nan 8.150 nan 0.000 0.498 170 L N 2.402 123.658 121.223 0.055 0.000 2.455 170 L HA 0.116 4.456 4.340 -0.000 0.000 0.272 170 L C 0.749 177.639 176.870 0.033 0.000 1.174 170 L CA 0.725 55.603 54.840 0.063 0.000 0.869 170 L CB -0.300 41.829 42.059 0.116 0.000 1.130 170 L HN 0.867 nan 8.230 nan 0.000 0.474 171 Q N 3.544 123.355 119.800 0.019 0.000 2.261 171 Q HA 0.411 4.751 4.340 -0.000 0.000 0.252 171 Q C -0.345 175.636 176.000 -0.031 0.000 0.915 171 Q CA -0.755 55.046 55.803 -0.004 0.000 0.915 171 Q CB 0.972 29.708 28.738 -0.003 0.000 1.204 171 Q HN 0.256 nan 8.270 nan 0.000 0.421 172 R N 2.474 122.944 120.500 -0.050 0.000 2.537 172 R HA 0.210 4.550 4.340 -0.000 0.000 0.280 172 R C -2.203 174.030 176.300 -0.111 0.000 1.058 172 R CA -1.515 54.528 56.100 -0.095 0.000 1.057 172 R CB -0.388 29.863 30.300 -0.082 0.000 0.973 172 R HN 0.577 nan 8.270 nan 0.000 0.438 173 P HA 0.097 nan 4.420 nan 0.000 0.278 173 P C -0.442 176.734 177.300 -0.208 0.000 1.238 173 P CA -0.479 62.498 63.100 -0.205 0.000 0.794 173 P CB 0.801 32.275 31.700 -0.377 0.000 0.955 174 V N 0.085 119.918 119.914 -0.135 0.000 2.850 174 V HA 0.430 4.550 4.120 -0.000 0.000 0.315 174 V C -1.940 174.112 176.094 -0.069 0.000 1.064 174 V CA -2.308 59.935 62.300 -0.094 0.000 0.979 174 V CB 1.103 32.897 31.823 -0.048 0.000 1.039 174 V HN 0.282 nan 8.190 nan 0.000 0.452 175 P HA -0.089 nan 4.420 nan 0.000 0.217 175 P C 0.963 178.299 177.300 0.059 0.000 1.148 175 P CA 1.441 64.556 63.100 0.025 0.000 0.828 175 P CB 0.032 31.738 31.700 0.011 0.000 0.783 176 N N -1.083 117.633 118.700 0.026 0.000 2.461 176 N HA -0.023 4.717 4.740 -0.000 0.000 0.188 176 N C 0.016 175.547 175.510 0.034 0.000 1.134 176 N CA 0.624 53.685 53.050 0.019 0.000 0.878 176 N CB -0.542 37.944 38.487 -0.001 0.000 0.972 176 N HN 0.168 nan 8.380 nan 0.000 0.456 177 D N 0.600 121.045 120.400 0.075 0.000 2.382 177 D HA 0.111 4.751 4.640 -0.000 0.000 0.245 177 D C 0.678 177.034 176.300 0.094 0.000 1.120 177 D CA -0.040 54.017 54.000 0.095 0.000 0.890 177 D CB 1.299 42.169 40.800 0.117 0.000 1.201 177 D HN 0.055 nan 8.370 nan 0.000 0.433 178 I N 1.933 122.507 120.570 0.007 0.000 2.533 178 I HA 0.033 4.203 4.170 -0.000 0.000 0.284 178 I C 1.358 177.365 176.117 -0.182 0.000 1.109 178 I CA -0.155 61.086 61.300 -0.099 0.000 1.412 178 I CB 1.209 39.165 38.000 -0.073 0.000 1.396 178 I HN 0.412 nan 8.210 nan 0.000 0.543 179 A N 7.188 129.771 122.820 -0.395 0.000 1.911 179 A HA 0.114 4.434 4.320 -0.000 0.000 0.212 179 A C 0.361 177.823 177.584 -0.204 0.000 1.189 179 A CA 0.985 52.738 52.037 -0.473 0.000 0.639 179 A CB 0.122 18.683 19.000 -0.732 0.000 0.839 179 A HN 0.788 nan 8.150 nan 0.000 0.449 180 Y N -3.714 116.450 120.300 -0.227 0.000 2.677 180 Y HA 0.675 5.225 4.550 -0.000 0.000 0.334 180 Y C -1.440 174.377 175.900 -0.137 0.000 1.196 180 Y CA -1.741 56.254 58.100 -0.175 0.000 1.059 180 Y CB 0.590 39.002 38.460 -0.080 0.000 1.315 180 Y HN -0.044 nan 8.280 nan 0.000 0.455 181 L N 2.622 123.889 121.223 0.074 0.000 2.322 181 L HA 0.529 4.869 4.340 -0.000 0.000 0.281 181 L C -0.820 176.129 176.870 0.131 0.000 1.014 181 L CA -0.966 53.841 54.840 -0.056 0.000 0.815 181 L CB 1.885 43.813 42.059 -0.218 0.000 1.247 181 L HN 0.673 nan 8.230 nan 0.000 0.421 182 Q N 1.699 121.529 119.800 0.049 0.000 2.400 182 Q HA 0.215 4.555 4.340 -0.000 0.000 0.255 182 Q C -0.774 175.203 176.000 -0.039 0.000 1.008 182 Q CA 0.029 55.911 55.803 0.131 0.000 0.841 182 Q CB 0.721 29.599 28.738 0.233 0.000 1.220 182 Q HN 0.449 nan 8.270 nan 0.000 0.474 183 Y N 1.396 121.758 120.300 0.103 0.000 2.470 183 Y HA 0.039 4.589 4.550 -0.000 0.000 0.284 183 Y C 1.780 177.700 175.900 0.034 0.000 1.188 183 Y CA 0.696 58.822 58.100 0.044 0.000 1.269 183 Y CB 0.604 39.064 38.460 -0.001 0.000 1.094 183 Y HN 0.738 nan 8.280 nan 0.000 0.518 184 T N -5.040 109.617 114.554 0.171 0.000 3.035 184 T HA -0.102 4.248 4.350 -0.000 0.000 0.268 184 T C 1.863 176.609 174.700 0.076 0.000 1.109 184 T CA 1.180 63.364 62.100 0.141 0.000 1.119 184 T CB -0.214 68.748 68.868 0.157 0.000 0.900 184 T HN 0.113 nan 8.240 nan 0.000 0.503 185 S N 0.966 116.698 115.700 0.053 0.000 2.555 185 S HA 0.285 4.755 4.470 -0.000 0.000 0.230 185 S C 1.490 176.043 174.600 -0.078 0.000 0.978 185 S CA 0.229 58.438 58.200 0.014 0.000 0.934 185 S CB -0.475 62.766 63.200 0.068 0.000 0.766 185 S HN 0.845 nan 8.310 nan 0.000 0.533 186 G N 1.082 109.833 108.800 -0.080 0.000 2.494 186 G HA2 0.393 4.353 3.960 -0.000 0.000 0.270 186 G HA3 0.393 4.353 3.960 -0.000 0.000 0.270 186 G C 0.806 175.669 174.900 -0.061 0.000 1.423 186 G CA 0.297 45.301 45.100 -0.160 0.000 1.055 186 G HN 0.407 nan 8.290 nan 0.000 0.536 187 S N -4.296 111.377 115.700 -0.045 0.000 3.325 187 S HA 0.306 4.775 4.470 -0.000 0.000 0.254 187 S C 1.091 175.694 174.600 0.006 0.000 1.084 187 S CA 1.378 59.589 58.200 0.018 0.000 0.786 187 S CB 0.975 64.223 63.200 0.080 0.000 0.849 187 S HN 1.079 nan 8.310 nan 0.000 0.483 188 T N -0.641 113.912 114.554 -0.001 0.000 4.099 188 T HA 0.110 4.460 4.350 -0.000 0.000 0.323 188 T C 0.587 175.283 174.700 -0.007 0.000 1.346 188 T CA 0.329 62.416 62.100 -0.022 0.000 1.799 188 T CB -0.600 68.260 68.868 -0.013 0.000 0.926 188 T HN 0.186 nan 8.240 nan 0.000 0.642 189 R N 0.157 120.682 120.500 0.041 0.000 2.334 189 R HA 0.540 4.880 4.340 -0.000 0.000 0.212 189 R C -0.394 176.001 176.300 0.158 0.000 0.897 189 R CA 0.056 56.195 56.100 0.065 0.000 1.056 189 R CB 0.133 30.464 30.300 0.052 0.000 1.046 189 R HN 0.389 nan 8.270 nan 0.000 0.513 190 F N 1.934 121.869 119.950 -0.026 0.000 2.710 190 F HA 0.492 5.019 4.527 -0.000 0.000 0.345 190 F C -2.718 173.067 175.800 -0.025 0.000 1.362 190 F CA -3.319 54.664 58.000 -0.028 0.000 1.175 190 F CB 1.003 39.982 39.000 -0.035 0.000 1.561 190 F HN -0.165 nan 8.300 nan 0.000 0.593 191 P HA 0.454 nan 4.420 nan 0.000 0.281 191 P C -1.111 175.996 177.300 -0.323 0.000 1.249 191 P CA -0.351 62.614 63.100 -0.225 0.000 0.810 191 P CB 1.273 32.918 31.700 -0.091 0.000 1.008 192 R N 0.569 120.931 120.500 -0.230 0.000 2.574 192 R HA 0.619 4.959 4.340 -0.000 0.000 0.288 192 R C -0.334 175.830 176.300 -0.227 0.000 1.004 192 R CA -0.710 55.192 56.100 -0.330 0.000 0.895 192 R CB 2.323 32.086 30.300 -0.895 0.000 1.191 192 R HN 0.623 nan 8.270 nan 0.000 0.444 193 G N 2.055 110.614 108.800 -0.402 0.000 2.377 193 G HA2 0.353 4.313 3.960 -0.000 0.000 0.316 193 G HA3 0.353 4.313 3.960 -0.000 0.000 0.316 193 G C -0.181 174.597 174.900 -0.203 0.000 1.115 193 G CA -0.354 44.142 45.100 -1.007 0.000 0.952 193 G HN 0.325 nan 8.290 nan 0.000 0.441 194 V N 4.468 124.318 119.914 -0.107 0.000 2.485 194 V HA 0.055 4.175 4.120 -0.000 0.000 0.287 194 V C 0.767 176.766 176.094 -0.157 0.000 1.022 194 V CA -0.009 62.247 62.300 -0.073 0.000 1.067 194 V CB 0.404 32.203 31.823 -0.040 0.000 0.967 194 V HN 0.537 nan 8.190 nan 0.000 0.479 195 I N 6.341 126.826 120.570 -0.142 0.000 2.416 195 I HA 0.261 4.431 4.170 -0.000 0.000 0.288 195 I C -0.193 175.773 176.117 -0.251 0.000 1.051 195 I CA 0.182 61.392 61.300 -0.150 0.000 1.375 195 I CB 0.578 38.559 38.000 -0.031 0.000 1.407 195 I HN 0.368 nan 8.210 nan 0.000 0.516 196 I N 5.828 126.152 120.570 -0.409 0.000 2.468 196 I HA 0.195 4.365 4.170 -0.000 0.000 0.285 196 I C 0.350 176.194 176.117 -0.454 0.000 1.039 196 I CA -0.384 60.614 61.300 -0.503 0.000 1.074 196 I CB 1.793 39.238 38.000 -0.924 0.000 1.228 196 I HN 0.539 nan 8.210 nan 0.000 0.436 197 T N 1.993 116.389 114.554 -0.263 0.000 2.922 197 T HA 0.327 4.677 4.350 -0.000 0.000 0.285 197 T C 1.426 176.039 174.700 -0.145 0.000 1.005 197 T CA -0.238 61.754 62.100 -0.180 0.000 1.061 197 T CB 1.173 69.999 68.868 -0.071 0.000 1.007 197 T HN 0.484 nan 8.240 nan 0.000 0.502 198 H N 1.078 120.115 119.070 -0.054 0.000 2.357 198 H HA -0.131 4.425 4.556 -0.000 0.000 0.296 198 H C 2.420 177.749 175.328 0.001 0.000 1.108 198 H CA 2.098 58.141 56.048 -0.008 0.000 1.273 198 H CB -0.001 29.760 29.762 -0.003 0.000 1.367 198 H HN 0.630 nan 8.280 nan 0.000 0.498 199 R N 1.093 121.658 120.500 0.109 0.000 2.096 199 R HA -0.172 4.168 4.340 -0.000 0.000 0.240 199 R C 2.072 178.389 176.300 0.029 0.000 1.139 199 R CA 1.899 58.029 56.100 0.051 0.000 0.952 199 R CB 0.009 30.318 30.300 0.015 0.000 0.854 199 R HN 0.489 nan 8.270 nan 0.000 0.436 200 E N -0.269 119.929 120.200 -0.003 0.000 2.047 200 E HA -0.084 4.266 4.350 -0.000 0.000 0.191 200 E C 1.167 177.781 176.600 0.022 0.000 0.987 200 E CA 0.750 57.143 56.400 -0.011 0.000 0.799 200 E CB -0.095 29.568 29.700 -0.062 0.000 0.752 200 E HN 0.059 nan 8.360 nan 0.000 0.449 204 N N 0.153 118.918 118.700 0.109 0.000 2.106 204 N HA -0.055 4.685 4.740 -0.000 0.000 0.188 204 N C 1.537 177.090 175.510 0.072 0.000 1.029 204 N CA 1.796 54.892 53.050 0.077 0.000 0.848 204 N CB -0.235 38.294 38.487 0.070 0.000 1.007 204 N HN 0.272 nan 8.380 nan 0.000 0.423 205 L N 1.332 122.605 121.223 0.083 0.000 2.043 205 L HA -0.111 4.229 4.340 -0.000 0.000 0.212 205 L C 2.237 179.158 176.870 0.086 0.000 1.075 205 L CA 1.419 56.307 54.840 0.079 0.000 0.752 205 L CB -0.880 41.238 42.059 0.097 0.000 0.891 205 L HN 0.200 nan 8.230 nan 0.000 0.432 206 R N -0.980 119.574 120.500 0.090 0.000 2.113 206 R HA -0.237 4.103 4.340 -0.000 0.000 0.231 206 R C 2.232 178.591 176.300 0.099 0.000 1.129 206 R CA 1.741 57.893 56.100 0.086 0.000 0.915 206 R CB -0.866 29.460 30.300 0.044 0.000 0.837 206 R HN 0.412 nan 8.270 nan 0.000 0.430 207 A N 1.183 124.047 122.820 0.072 0.000 1.892 207 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 207 A C 2.246 179.836 177.584 0.010 0.000 1.188 207 A CA 1.726 53.791 52.037 0.045 0.000 0.631 207 A CB -0.739 18.239 19.000 -0.036 0.000 0.822 207 A HN 0.285 nan 8.150 nan 0.000 0.447 208 I N 0.487 121.066 120.570 0.015 0.000 2.163 208 I HA -0.271 3.899 4.170 -0.000 0.000 0.243 208 I C 2.800 178.834 176.117 -0.139 0.000 1.085 208 I CA 1.835 63.091 61.300 -0.074 0.000 1.347 208 I CB -0.222 37.803 38.000 0.041 0.000 1.044 208 I HN 0.534 nan 8.210 nan 0.000 0.408 209 S N -1.388 114.321 115.700 0.016 0.000 2.470 209 S HA -0.144 4.326 4.470 -0.000 0.000 0.225 209 S C 1.896 176.674 174.600 0.297 0.000 1.006 209 S CA 0.505 58.763 58.200 0.096 0.000 0.934 209 S CB -0.316 62.942 63.200 0.098 0.000 0.778 209 S HN 0.529 nan 8.310 nan 0.000 0.517 210 H N 0.305 119.451 119.070 0.125 0.000 2.729 210 H HA 0.261 4.817 4.556 -0.000 0.000 0.263 210 H C 0.187 175.462 175.328 -0.088 0.000 0.961 210 H CA 0.838 56.890 56.048 0.006 0.000 1.217 210 H CB 0.595 30.302 29.762 -0.092 0.000 1.447 210 H HN 0.375 nan 8.280 nan 0.000 0.496 211 D N -1.033 119.339 120.400 -0.046 0.000 2.449 211 D HA 0.110 4.750 4.640 -0.000 0.000 0.255 211 D C 1.484 177.671 176.300 -0.189 0.000 1.121 211 D CA 0.517 54.467 54.000 -0.085 0.000 0.830 211 D CB 0.926 41.750 40.800 0.041 0.000 1.280 211 D HN 0.362 nan 8.370 nan 0.000 0.522 212 G N 1.473 110.027 108.800 -0.410 0.000 2.548 212 G HA2 0.061 4.021 3.960 -0.000 0.000 0.221 212 G HA3 0.061 4.021 3.960 -0.000 0.000 0.221 212 G C 1.324 175.614 174.900 -1.016 0.000 1.796 212 G CA -0.034 44.370 45.100 -1.161 0.000 0.889 212 G HN -0.024 nan 8.290 nan 0.000 0.599 213 I N 0.799 120.835 120.570 -0.891 0.000 2.361 213 I HA -0.027 4.143 4.170 -0.000 0.000 0.251 213 I C 0.796 176.805 176.117 -0.180 0.000 1.133 213 I CA 0.870 61.957 61.300 -0.356 0.000 1.413 213 I CB -1.167 36.729 38.000 -0.174 0.000 1.073 213 I HN 0.354 nan 8.210 nan 0.000 0.424 214 K N 1.057 121.352 120.400 -0.175 0.000 3.619 214 K HA -0.166 4.154 4.320 -0.000 0.000 0.275 214 K C -0.133 176.481 176.600 0.022 0.000 0.993 214 K CA 0.014 56.256 56.287 -0.076 0.000 0.787 214 K CB -1.689 30.745 32.500 -0.110 0.000 1.431 214 K HN 0.270 nan 8.250 nan 0.000 0.451 215 L N 0.837 122.103 121.223 0.070 0.000 2.482 215 L HA 0.118 4.458 4.340 -0.000 0.000 0.273 215 L C 1.085 178.021 176.870 0.111 0.000 1.228 215 L CA 0.428 55.300 54.840 0.055 0.000 0.827 215 L CB 0.285 42.328 42.059 -0.026 0.000 1.099 215 L HN 0.288 nan 8.230 nan 0.000 0.494 216 R N 1.059 121.592 120.500 0.056 0.000 2.837 216 R HA 0.481 4.820 4.340 -0.000 0.000 0.271 216 R C -2.580 173.738 176.300 0.031 0.000 0.993 216 R CA -1.990 54.155 56.100 0.075 0.000 0.931 216 R CB 1.229 31.568 30.300 0.065 0.000 1.206 216 R HN 0.309 nan 8.270 nan 0.000 0.474 217 P HA 0.080 nan 4.420 nan 0.000 0.271 217 P C 0.548 177.867 177.300 0.031 0.000 1.218 217 P CA 0.479 63.596 63.100 0.029 0.000 0.780 217 P CB 0.685 32.414 31.700 0.047 0.000 0.901 218 G N 0.853 109.669 108.800 0.025 0.000 2.241 218 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.244 218 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.244 218 G C 0.079 174.995 174.900 0.026 0.000 0.998 218 G CA -0.178 44.936 45.100 0.024 0.000 0.621 218 G HN 0.535 nan 8.290 nan 0.000 0.519 219 D N 0.529 120.947 120.400 0.030 0.000 2.423 219 D HA 0.476 5.116 4.640 -0.000 0.000 0.238 219 D C 0.755 177.076 176.300 0.035 0.000 1.142 219 D CA 0.418 54.441 54.000 0.039 0.000 0.884 219 D CB 0.729 41.554 40.800 0.043 0.000 1.199 219 D HN 0.609 nan 8.370 nan 0.000 0.438 220 R N 1.314 121.838 120.500 0.039 0.000 2.574 220 R HA 0.429 4.769 4.340 -0.000 0.000 0.288 220 R C -1.490 174.837 176.300 0.045 0.000 1.004 220 R CA -0.633 55.482 56.100 0.025 0.000 0.895 220 R CB 0.729 31.027 30.300 -0.003 0.000 1.191 220 R HN 0.398 nan 8.270 nan 0.000 0.444 221 C N 3.874 123.212 119.300 0.063 0.000 2.388 221 C HA 0.560 5.020 4.460 -0.000 0.000 0.362 221 C C -0.161 174.846 174.990 0.027 0.000 1.266 221 C CA -0.554 58.557 59.018 0.155 0.000 2.028 221 C CB 0.728 28.633 27.740 0.274 0.000 2.440 221 C HN 0.487 nan 8.230 nan 0.000 0.547 222 V N 3.443 123.354 119.914 -0.005 0.000 2.531 222 V HA 0.726 4.846 4.120 -0.000 0.000 0.301 222 V C -0.117 175.793 176.094 -0.307 0.000 1.034 222 V CA -0.051 62.170 62.300 -0.132 0.000 0.865 222 V CB 1.720 33.477 31.823 -0.110 0.000 0.995 222 V HN 0.950 nan 8.190 nan 0.000 0.424 223 S N 5.003 120.450 115.700 -0.421 0.000 2.546 223 S HA 0.611 5.081 4.470 -0.000 0.000 0.274 223 S C -0.207 174.140 174.600 -0.421 0.000 1.121 223 S CA -0.666 57.083 58.200 -0.751 0.000 0.887 223 S CB 1.651 64.182 63.200 -1.116 0.000 1.094 223 S HN 0.891 nan 8.310 nan 0.000 0.474 224 W N 4.275 125.192 121.300 -0.638 0.000 2.870 224 W HA 0.359 5.019 4.660 -0.000 0.000 0.358 224 W C -0.426 175.766 176.519 -0.546 0.000 1.043 224 W CA -0.571 56.448 57.345 -0.544 0.000 1.692 224 W CB -0.659 28.380 29.460 -0.701 0.000 1.100 224 W HN 0.361 nan 8.180 nan 0.000 0.557 225 L N 3.197 123.892 121.223 -0.880 0.000 2.489 225 L HA 0.070 4.410 4.340 -0.000 0.000 0.285 225 L C -1.915 174.632 176.870 -0.538 0.000 1.259 225 L CA -1.189 53.234 54.840 -0.695 0.000 0.828 225 L CB -0.567 41.108 42.059 -0.640 0.000 1.094 225 L HN -0.384 nan 8.230 nan 0.000 0.524 226 P HA 0.212 nan 4.420 nan 0.000 0.290 226 P C -0.169 176.690 177.300 -0.735 0.000 1.275 226 P CA -0.511 62.015 63.100 -0.957 0.000 0.841 226 P CB 0.589 31.219 31.700 -1.784 0.000 1.042 227 F N 0.413 120.028 119.950 -0.559 0.000 2.748 227 F HA -0.016 4.511 4.527 -0.000 0.000 0.299 227 F C 1.700 177.340 175.800 -0.267 0.000 1.154 227 F CA 0.590 58.381 58.000 -0.349 0.000 1.446 227 F CB -1.312 37.472 39.000 -0.360 0.000 1.112 227 F HN 0.358 nan 8.300 nan 0.000 0.584 228 Y N -2.514 117.751 120.300 -0.058 0.000 2.490 228 Y HA 0.292 4.842 4.550 -0.000 0.000 0.281 228 Y C 0.354 176.305 175.900 0.085 0.000 1.174 228 Y CA -0.846 57.237 58.100 -0.030 0.000 1.295 228 Y CB -1.650 36.755 38.460 -0.092 0.000 1.062 228 Y HN 0.076 nan 8.280 nan 0.000 0.522 229 H N -0.117 118.966 119.070 0.022 0.000 2.595 229 H HA 0.244 4.800 4.556 -0.000 0.000 0.346 229 H C -0.590 174.762 175.328 0.040 0.000 1.181 229 H CA -1.205 54.882 56.048 0.066 0.000 1.242 229 H CB 1.295 31.062 29.762 0.009 0.000 1.652 229 H HN 0.082 nan 8.280 nan 0.000 0.548 233 L N 1.848 123.176 121.223 0.174 0.000 1.960 233 L HA 0.260 4.600 4.340 -0.000 0.000 0.209 233 L C 2.834 179.672 176.870 -0.053 0.000 1.090 233 L CA 2.315 57.176 54.840 0.035 0.000 0.759 233 L CB -0.833 41.174 42.059 -0.087 0.000 0.892 233 L HN 0.077 nan 8.230 nan 0.000 0.436 234 V N 0.367 120.247 119.914 -0.057 0.000 2.392 234 V HA -0.213 3.907 4.120 -0.000 0.000 0.249 234 V C 2.487 178.563 176.094 -0.030 0.000 1.059 234 V CA 1.808 64.085 62.300 -0.038 0.000 1.051 234 V CB -1.565 30.271 31.823 0.023 0.000 0.658 234 V HN 0.689 nan 8.190 nan 0.000 0.455 235 G N -1.464 107.330 108.800 -0.009 0.000 2.395 235 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.214 235 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.214 235 G C 1.085 175.731 174.900 -0.423 0.000 1.177 235 G CA 0.513 45.514 45.100 -0.165 0.000 0.794 235 G HN 0.531 nan 8.290 nan 0.000 0.532 236 F N -0.708 119.310 119.950 0.115 0.000 2.724 236 F HA 0.511 5.038 4.527 -0.000 0.000 0.310 236 F C 1.366 177.370 175.800 0.341 0.000 1.107 236 F CA -0.330 57.789 58.000 0.197 0.000 1.218 236 F CB 0.709 39.821 39.000 0.186 0.000 1.042 236 F HN 0.040 nan 8.300 nan 0.000 0.540 237 L N -1.111 120.274 121.223 0.270 0.000 2.614 237 L HA 0.172 4.512 4.340 -0.000 0.000 0.185 237 L C 1.838 178.744 176.870 0.060 0.000 1.098 237 L CA 0.560 55.478 54.840 0.130 0.000 0.852 237 L CB -0.061 41.838 42.059 -0.267 0.000 1.213 237 L HN 0.027 nan 8.230 nan 0.000 0.491 238 L N -0.249 120.957 121.223 -0.028 0.000 2.027 238 L HA -0.157 4.183 4.340 -0.000 0.000 0.206 238 L C 2.457 179.335 176.870 0.013 0.000 1.074 238 L CA 1.715 56.562 54.840 0.011 0.000 0.745 238 L CB -0.956 41.088 42.059 -0.025 0.000 0.898 238 L HN 0.296 nan 8.230 nan 0.000 0.433 239 T N -0.014 114.522 114.554 -0.030 0.000 2.708 239 T HA -0.083 4.267 4.350 -0.000 0.000 0.266 239 T C -0.452 174.216 174.700 -0.054 0.000 1.037 239 T CA 1.288 63.354 62.100 -0.056 0.000 1.146 239 T CB -1.098 67.687 68.868 -0.138 0.000 0.865 239 T HN 0.200 nan 8.240 nan 0.000 0.435 240 P HA -0.031 nan 4.420 nan 0.000 0.215 240 P C 1.705 178.952 177.300 -0.089 0.000 1.153 240 P CA 0.566 63.681 63.100 0.024 0.000 0.853 240 P CB -0.227 31.563 31.700 0.149 0.000 0.788 241 V N 0.341 120.125 119.914 -0.215 0.000 2.261 241 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 241 V C 2.289 178.177 176.094 -0.345 0.000 1.047 241 V CA 2.366 64.318 62.300 -0.579 0.000 1.015 241 V CB -1.710 29.891 31.823 -0.370 0.000 0.642 241 V HN 0.100 nan 8.190 nan 0.000 0.446 242 A N -1.946 120.797 122.820 -0.127 0.000 2.239 242 A HA -0.080 4.240 4.320 -0.000 0.000 0.209 242 A C 2.097 179.735 177.584 0.090 0.000 1.171 242 A CA 1.769 53.791 52.037 -0.024 0.000 0.768 242 A CB -0.356 18.698 19.000 0.091 0.000 0.790 242 A HN 0.481 nan 8.150 nan 0.000 0.478 243 T N -1.850 112.706 114.554 0.003 0.000 3.041 243 T HA 0.231 4.581 4.350 -0.000 0.000 0.276 243 T C 0.090 174.801 174.700 0.019 0.000 0.948 243 T CA 0.394 62.495 62.100 0.001 0.000 0.885 243 T CB 0.002 68.831 68.868 -0.065 0.000 1.175 243 T HN 0.480 nan 8.240 nan 0.000 0.529 244 Q N 0.732 120.548 119.800 0.025 0.000 2.494 244 Q HA -0.134 4.206 4.340 -0.000 0.000 0.266 244 Q C -0.415 175.683 176.000 0.164 0.000 1.053 244 Q CA 0.690 56.559 55.803 0.110 0.000 1.029 244 Q CB -2.361 26.464 28.738 0.144 0.000 1.423 244 Q HN 0.527 nan 8.270 nan 0.000 0.516 245 L N -0.568 120.741 121.223 0.144 0.000 2.399 245 L HA 0.558 4.898 4.340 -0.000 0.000 0.265 245 L C 0.689 177.676 176.870 0.195 0.000 1.089 245 L CA -0.821 54.093 54.840 0.124 0.000 0.802 245 L CB 1.402 43.495 42.059 0.056 0.000 1.180 245 L HN -0.022 nan 8.230 nan 0.000 0.454 246 S N 0.359 116.102 115.700 0.071 0.000 2.632 246 S HA 0.534 5.004 4.470 -0.000 0.000 0.271 246 S C -0.635 173.950 174.600 -0.025 0.000 1.260 246 S CA -0.500 57.688 58.200 -0.019 0.000 1.010 246 S CB 2.021 65.175 63.200 -0.077 0.000 0.965 246 S HN 0.370 nan 8.310 nan 0.000 0.534 247 V N 2.038 121.880 119.914 -0.120 0.000 2.808 247 V HA 0.466 4.586 4.120 -0.000 0.000 0.308 247 V C -1.854 173.973 176.094 -0.446 0.000 1.099 247 V CA -0.772 61.388 62.300 -0.235 0.000 0.920 247 V CB 2.236 33.922 31.823 -0.228 0.000 1.014 247 V HN 0.814 nan 8.190 nan 0.000 0.425 248 D N 5.028 125.198 120.400 -0.383 0.000 2.256 248 D HA 0.444 5.084 4.640 -0.000 0.000 0.240 248 D C -1.240 174.860 176.300 -0.334 0.000 1.062 248 D CA 0.374 54.229 54.000 -0.243 0.000 0.832 248 D CB 1.446 42.230 40.800 -0.026 0.000 1.135 248 D HN 0.536 nan 8.370 nan 0.000 0.484 249 Y N 1.194 121.504 120.300 0.016 0.000 2.352 249 Y HA 0.450 5.000 4.550 -0.000 0.000 0.339 249 Y C 0.393 176.359 175.900 0.110 0.000 0.992 249 Y CA -0.892 57.195 58.100 -0.022 0.000 1.100 249 Y CB 1.665 40.044 38.460 -0.134 0.000 1.192 249 Y HN 0.064 nan 8.280 nan 0.000 0.458 250 L N 3.377 124.746 121.223 0.242 0.000 2.334 250 L HA 0.578 4.918 4.340 -0.000 0.000 0.270 250 L C -0.079 176.877 176.870 0.143 0.000 1.018 250 L CA -1.158 53.811 54.840 0.215 0.000 0.811 250 L CB 1.626 43.809 42.059 0.207 0.000 1.271 250 L HN 0.578 nan 8.230 nan 0.000 0.443 251 R N 0.056 120.628 120.500 0.120 0.000 2.490 251 R HA 0.140 4.479 4.340 -0.000 0.000 0.280 251 R C 0.857 177.204 176.300 0.078 0.000 1.077 251 R CA -0.263 55.869 56.100 0.054 0.000 1.065 251 R CB 0.993 31.330 30.300 0.061 0.000 1.003 251 R HN 0.636 nan 8.270 nan 0.000 0.470 252 T N 1.906 116.489 114.554 0.047 0.000 2.684 252 T HA -0.212 4.138 4.350 -0.000 0.000 0.267 252 T C 1.803 176.572 174.700 0.115 0.000 1.036 252 T CA 1.630 63.809 62.100 0.131 0.000 1.148 252 T CB -0.047 68.883 68.868 0.103 0.000 0.863 252 T HN 0.650 nan 8.240 nan 0.000 0.436 253 Q N 1.068 120.918 119.800 0.083 0.000 2.224 253 Q HA -0.143 4.197 4.340 -0.000 0.000 0.203 253 Q C 1.230 177.247 176.000 0.028 0.000 0.970 253 Q CA 1.448 57.286 55.803 0.059 0.000 0.865 253 Q CB -0.433 28.337 28.738 0.053 0.000 0.922 253 Q HN 0.371 nan 8.270 nan 0.000 0.445 254 D N 0.790 121.214 120.400 0.041 0.000 2.117 254 D HA -0.106 4.534 4.640 -0.000 0.000 0.197 254 D C 1.621 177.909 176.300 -0.020 0.000 0.987 254 D CA 0.980 54.994 54.000 0.023 0.000 0.829 254 D CB -0.504 40.331 40.800 0.058 0.000 0.961 254 D HN 0.310 nan 8.370 nan 0.000 0.460 255 F N 1.657 121.496 119.950 -0.184 0.000 2.102 255 F HA -0.011 4.516 4.527 -0.000 0.000 0.298 255 F C 1.256 176.851 175.800 -0.341 0.000 1.105 255 F CA 0.884 58.663 58.000 -0.369 0.000 1.239 255 F CB -0.421 38.100 39.000 -0.799 0.000 0.991 255 F HN -0.117 nan 8.300 nan 0.000 0.474 259 P HA -0.191 nan 4.420 nan 0.000 0.217 259 P C 1.021 178.208 177.300 -0.189 0.000 1.151 259 P CA 0.905 63.489 63.100 -0.860 0.000 0.849 259 P CB 0.291 31.613 31.700 -0.631 0.000 0.787 260 L N -0.726 120.462 121.223 -0.059 0.000 2.610 260 L HA -0.021 4.319 4.340 -0.000 0.000 0.232 260 L C 1.981 178.889 176.870 0.063 0.000 1.149 260 L CA 1.426 56.301 54.840 0.059 0.000 0.872 260 L CB -1.226 40.870 42.059 0.061 0.000 0.992 260 L HN 0.103 nan 8.230 nan 0.000 0.447 261 Q N -1.722 118.116 119.800 0.063 0.000 2.245 261 Q HA -0.191 4.149 4.340 -0.000 0.000 0.201 261 Q C 1.854 177.947 176.000 0.156 0.000 0.955 261 Q CA 0.649 56.494 55.803 0.070 0.000 0.870 261 Q CB -0.223 28.546 28.738 0.052 0.000 0.945 261 Q HN 0.529 nan 8.270 nan 0.000 0.461 262 W N 2.018 123.354 121.300 0.061 0.000 2.298 262 W HA -0.225 4.435 4.660 -0.000 0.000 0.328 262 W C 1.766 178.237 176.519 -0.080 0.000 1.259 262 W CA 1.522 58.910 57.345 0.070 0.000 1.251 262 W CB -0.837 28.767 29.460 0.240 0.000 1.161 262 W HN 0.081 nan 8.180 nan 0.000 0.466 263 L N 0.425 121.580 121.223 -0.114 0.000 2.083 263 L HA -0.232 4.108 4.340 -0.000 0.000 0.209 263 L C 2.583 179.320 176.870 -0.222 0.000 1.083 263 L CA 1.670 56.296 54.840 -0.357 0.000 0.752 263 L CB -1.097 40.784 42.059 -0.296 0.000 0.899 263 L HN -0.017 nan 8.230 nan 0.000 0.433 264 K N 0.159 120.495 120.400 -0.106 0.000 2.063 264 K HA -0.187 4.133 4.320 -0.000 0.000 0.208 264 K C 2.135 178.643 176.600 -0.154 0.000 1.048 264 K CA 1.196 57.423 56.287 -0.099 0.000 0.928 264 K CB -0.178 32.286 32.500 -0.060 0.000 0.713 264 K HN 0.296 nan 8.250 nan 0.000 0.442 265 L N 1.118 122.239 121.223 -0.170 0.000 2.027 265 L HA -0.167 4.173 4.340 -0.000 0.000 0.206 265 L C 2.319 179.035 176.870 -0.255 0.000 1.074 265 L CA 1.255 55.945 54.840 -0.250 0.000 0.745 265 L CB -0.269 41.664 42.059 -0.210 0.000 0.898 265 L HN 0.203 nan 8.230 nan 0.000 0.433 266 I N -0.644 119.740 120.570 -0.310 0.000 2.194 266 I HA -0.367 3.803 4.170 -0.000 0.000 0.246 266 I C 2.766 178.721 176.117 -0.269 0.000 1.093 266 I CA 1.804 62.868 61.300 -0.393 0.000 1.355 266 I CB -0.281 37.275 38.000 -0.741 0.000 1.046 266 I HN 0.310 nan 8.210 nan 0.000 0.413 267 S N 0.258 115.826 115.700 -0.220 0.000 2.436 267 S HA -0.153 4.317 4.470 -0.000 0.000 0.228 267 S C 2.068 176.607 174.600 -0.102 0.000 1.014 267 S CA 0.910 59.033 58.200 -0.127 0.000 0.950 267 S CB -0.077 63.068 63.200 -0.091 0.000 0.784 267 S HN 0.290 nan 8.310 nan 0.000 0.504 268 K N 1.165 121.488 120.400 -0.129 0.000 1.973 268 K HA -0.029 4.291 4.320 -0.000 0.000 0.212 268 K C 0.781 177.332 176.600 -0.082 0.000 1.047 268 K CA 1.737 57.959 56.287 -0.107 0.000 0.937 268 K CB -0.372 32.035 32.500 -0.156 0.000 0.721 268 K HN 0.520 nan 8.250 nan 0.000 0.440 269 N N 0.905 119.546 118.700 -0.099 0.000 2.327 269 N HA 0.086 4.826 4.740 -0.000 0.000 0.231 269 N C -0.896 174.580 175.510 -0.056 0.000 1.130 269 N CA -0.204 52.811 53.050 -0.058 0.000 0.845 269 N CB 0.508 38.970 38.487 -0.041 0.000 1.073 269 N HN 0.108 nan 8.380 nan 0.000 0.496 270 R N 0.040 120.500 120.500 -0.066 0.000 3.333 270 R HA -0.123 4.217 4.340 -0.000 0.000 0.256 270 R C 0.274 176.538 176.300 -0.059 0.000 1.010 270 R CA 0.499 56.569 56.100 -0.050 0.000 0.680 270 R CB -2.509 27.779 30.300 -0.021 0.000 1.102 270 R HN 0.427 nan 8.270 nan 0.000 0.440 271 G N -0.137 108.594 108.800 -0.114 0.000 2.474 271 G HA2 0.138 4.097 3.960 -0.000 0.000 0.233 271 G HA3 0.138 4.097 3.960 -0.000 0.000 0.233 271 G C 0.888 175.730 174.900 -0.096 0.000 1.278 271 G CA 0.492 45.514 45.100 -0.130 0.000 0.861 271 G HN 0.247 nan 8.290 nan 0.000 0.567 272 T N 0.296 114.842 114.554 -0.014 0.000 3.085 272 T HA 0.156 4.506 4.350 -0.000 0.000 0.241 272 T C 0.675 175.514 174.700 0.232 0.000 0.988 272 T CA 0.347 62.508 62.100 0.101 0.000 1.117 272 T CB 0.303 69.225 68.868 0.090 0.000 0.978 272 T HN 0.232 nan 8.240 nan 0.000 0.454 273 V N 1.458 121.494 119.914 0.203 0.000 2.555 273 V HA 0.789 4.908 4.120 -0.000 0.000 0.302 273 V C -0.557 175.765 176.094 0.380 0.000 1.038 273 V CA -0.572 61.929 62.300 0.334 0.000 0.887 273 V CB 1.696 33.677 31.823 0.263 0.000 0.991 273 V HN 0.283 nan 8.190 nan 0.000 0.434 274 S N 2.975 119.007 115.700 0.553 0.000 2.537 274 S HA 0.830 5.300 4.470 -0.000 0.000 0.271 274 S C -1.664 173.290 174.600 0.590 0.000 1.148 274 S CA -0.395 58.086 58.200 0.468 0.000 0.868 274 S CB 1.925 65.326 63.200 0.334 0.000 1.115 274 S HN 0.522 nan 8.310 nan 0.000 0.461 275 V N 2.172 122.283 119.914 0.328 0.000 2.808 275 V HA 0.981 5.100 4.120 -0.000 0.000 0.308 275 V C -0.096 175.903 176.094 -0.159 0.000 1.099 275 V CA -0.231 62.240 62.300 0.285 0.000 0.920 275 V CB 1.377 33.440 31.823 0.400 0.000 1.014 275 V HN 1.228 nan 8.190 nan 0.000 0.425 276 A N 5.436 128.171 122.820 -0.142 0.000 2.594 276 A HA 1.040 5.360 4.320 -0.000 0.000 0.291 276 A C -3.220 174.216 177.584 -0.246 0.000 1.105 276 A CA -1.717 49.986 52.037 -0.558 0.000 0.694 276 A CB 2.151 20.546 19.000 -1.008 0.000 1.291 276 A HN 0.583 nan 8.150 nan 0.000 0.410 277 P HA 0.264 nan 4.420 nan 0.000 0.272 277 P C -2.055 175.196 177.300 -0.081 0.000 1.230 277 P CA -1.030 61.963 63.100 -0.179 0.000 0.788 277 P CB 0.112 31.661 31.700 -0.252 0.000 0.949 278 P HA -0.187 nan 4.420 nan 0.000 0.217 278 P C 1.153 178.591 177.300 0.231 0.000 1.148 278 P CA 1.402 64.618 63.100 0.194 0.000 0.828 278 P CB -0.547 31.257 31.700 0.174 0.000 0.783 279 F N -1.263 118.818 119.950 0.219 0.000 2.407 279 F HA 0.210 4.736 4.527 -0.000 0.000 0.299 279 F C 1.975 177.920 175.800 0.241 0.000 1.097 279 F CA 0.880 59.006 58.000 0.210 0.000 1.422 279 F CB -1.721 37.385 39.000 0.176 0.000 1.067 279 F HN -0.203 nan 8.300 nan 0.000 0.539 280 G N -0.169 108.354 108.800 -0.462 0.000 2.422 280 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 280 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 280 G C 1.260 176.247 174.900 0.145 0.000 1.140 280 G CA 0.985 45.986 45.100 -0.164 0.000 0.775 280 G HN 0.467 nan 8.290 nan 0.000 0.545 281 Y N 0.308 120.721 120.300 0.189 0.000 2.176 281 Y HA 0.032 4.582 4.550 -0.000 0.000 0.291 281 Y C 2.753 178.828 175.900 0.291 0.000 1.122 281 Y CA 1.103 59.271 58.100 0.113 0.000 1.128 281 Y CB -0.270 38.037 38.460 -0.256 0.000 1.005 281 Y HN 0.121 nan 8.280 nan 0.000 0.509 282 E N 0.807 121.252 120.200 0.408 0.000 2.130 282 E HA -0.242 4.108 4.350 -0.000 0.000 0.196 282 E C 2.142 178.930 176.600 0.315 0.000 0.998 282 E CA 1.238 57.850 56.400 0.354 0.000 0.806 282 E CB -0.370 29.510 29.700 0.299 0.000 0.738 282 E HN 0.410 nan 8.360 nan 0.000 0.459 283 L N 0.456 121.864 121.223 0.308 0.000 2.056 283 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 283 L C 2.525 179.508 176.870 0.189 0.000 1.078 283 L CA 1.631 56.588 54.840 0.196 0.000 0.749 283 L CB -0.782 41.387 42.059 0.185 0.000 0.901 283 L HN 0.181 nan 8.230 nan 0.000 0.433 284 C N -0.818 118.685 119.300 0.338 0.000 2.453 284 C HA -0.131 4.329 4.460 -0.000 0.000 0.277 284 C C 2.745 178.018 174.990 0.472 0.000 1.262 284 C CA 0.857 60.116 59.018 0.402 0.000 1.718 284 C CB -0.853 27.221 27.740 0.557 0.000 2.031 284 C HN 0.648 nan 8.230 nan 0.000 0.480 285 Q N 1.036 121.184 119.800 0.580 0.000 2.181 285 Q HA -0.195 4.145 4.340 -0.000 0.000 0.205 285 Q C 2.246 178.347 176.000 0.169 0.000 0.980 285 Q CA 1.547 57.591 55.803 0.401 0.000 0.862 285 Q CB -0.372 28.642 28.738 0.460 0.000 0.905 285 Q HN 0.670 nan 8.270 nan 0.000 0.429 286 R N -0.522 120.078 120.500 0.166 0.000 2.173 286 R HA 0.086 4.426 4.340 -0.000 0.000 0.208 286 R C 1.207 177.530 176.300 0.038 0.000 1.035 286 R CA 0.424 56.573 56.100 0.081 0.000 1.004 286 R CB 0.355 30.688 30.300 0.056 0.000 0.917 286 R HN 0.036 nan 8.270 nan 0.000 0.462 287 R N 0.223 120.752 120.500 0.049 0.000 2.586 287 R HA 0.176 4.516 4.340 -0.000 0.000 0.336 287 R C -0.635 175.683 176.300 0.031 0.000 1.060 287 R CA -0.162 55.945 56.100 0.011 0.000 1.079 287 R CB 1.504 31.783 30.300 -0.035 0.000 1.317 287 R HN -0.028 nan 8.270 nan 0.000 0.568 288 V N 2.613 122.560 119.914 0.055 0.000 2.546 288 V HA 0.159 4.279 4.120 -0.000 0.000 0.284 288 V C -0.579 175.509 176.094 -0.010 0.000 1.050 288 V CA -0.605 61.727 62.300 0.053 0.000 0.981 288 V CB 1.081 32.940 31.823 0.059 0.000 0.990 288 V HN 0.421 nan 8.190 nan 0.000 0.474 289 N N 4.244 122.942 118.700 -0.004 0.000 2.471 289 N HA 0.357 5.097 4.740 -0.000 0.000 0.288 289 N C 0.510 176.005 175.510 -0.025 0.000 1.220 289 N CA -0.740 52.298 53.050 -0.020 0.000 0.893 289 N CB 0.761 39.241 38.487 -0.012 0.000 1.256 289 N HN 0.456 nan 8.380 nan 0.000 0.534 290 E N 0.117 120.299 120.200 -0.030 0.000 2.160 290 E HA -0.209 4.141 4.350 -0.000 0.000 0.195 290 E C 1.015 177.607 176.600 -0.014 0.000 0.991 290 E CA 1.050 57.433 56.400 -0.030 0.000 0.810 290 E CB -0.050 29.633 29.700 -0.028 0.000 0.742 290 E HN 0.724 nan 8.360 nan 0.000 0.466 291 K N 0.433 120.828 120.400 -0.008 0.000 2.211 291 K HA -0.123 4.197 4.320 -0.000 0.000 0.203 291 K C 1.324 177.928 176.600 0.007 0.000 1.050 291 K CA 1.187 57.472 56.287 -0.002 0.000 0.945 291 K CB 0.250 32.748 32.500 -0.003 0.000 0.732 291 K HN -0.016 nan 8.250 nan 0.000 0.451 292 D N 0.692 121.101 120.400 0.015 0.000 2.120 292 D HA -0.095 4.545 4.640 -0.000 0.000 0.202 292 D C 1.912 178.241 176.300 0.049 0.000 0.972 292 D CA 0.830 54.852 54.000 0.036 0.000 0.837 292 D CB -0.106 40.731 40.800 0.062 0.000 0.989 292 D HN 0.189 nan 8.370 nan 0.000 0.469 293 L N 1.177 122.425 121.223 0.042 0.000 2.189 293 L HA -0.179 4.161 4.340 -0.000 0.000 0.214 293 L C 2.525 179.411 176.870 0.026 0.000 1.097 293 L CA 0.857 55.720 54.840 0.039 0.000 0.764 293 L CB -0.487 41.561 42.059 -0.018 0.000 0.900 293 L HN -0.032 nan 8.230 nan 0.000 0.436 294 A N 0.966 123.795 122.820 0.014 0.000 1.940 294 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 294 A C 1.687 179.278 177.584 0.012 0.000 1.176 294 A CA 1.902 53.944 52.037 0.008 0.000 0.631 294 A CB -0.326 18.676 19.000 0.003 0.000 0.814 294 A HN 0.637 nan 8.150 nan 0.000 0.446 295 E N -0.949 119.260 120.200 0.015 0.000 2.685 295 E HA 0.518 4.868 4.350 -0.000 0.000 0.208 295 E C -0.796 175.809 176.600 0.008 0.000 0.996 295 E CA -0.270 56.135 56.400 0.008 0.000 1.054 295 E CB 0.183 29.884 29.700 0.002 0.000 1.075 295 E HN 0.426 nan 8.360 nan 0.000 0.460 296 L N 1.344 122.582 121.223 0.024 0.000 2.333 296 L HA 0.481 4.821 4.340 -0.000 0.000 0.280 296 L C -0.874 176.018 176.870 0.037 0.000 1.004 296 L CA -1.055 53.800 54.840 0.026 0.000 0.820 296 L CB 1.629 43.722 42.059 0.056 0.000 1.247 296 L HN 0.004 nan 8.230 nan 0.000 0.416 297 D N 3.304 123.719 120.400 0.025 0.000 2.453 297 D HA 0.290 4.930 4.640 -0.000 0.000 0.238 297 D C -0.067 176.268 176.300 0.058 0.000 1.088 297 D CA -0.371 53.654 54.000 0.041 0.000 0.854 297 D CB 1.752 42.567 40.800 0.024 0.000 1.076 297 D HN 0.196 nan 8.370 nan 0.000 0.533 298 L N 2.940 124.233 121.223 0.116 0.000 2.628 298 L HA 0.089 4.429 4.340 -0.000 0.000 0.229 298 L C 2.204 179.198 176.870 0.206 0.000 1.137 298 L CA 0.437 55.401 54.840 0.206 0.000 0.909 298 L CB -0.716 41.559 42.059 0.360 0.000 1.137 298 L HN 0.484 nan 8.230 nan 0.000 0.470 299 S N -1.069 114.697 115.700 0.109 0.000 2.419 299 S HA -0.230 4.240 4.470 -0.000 0.000 0.235 299 S C 2.112 176.756 174.600 0.073 0.000 1.019 299 S CA 1.081 59.318 58.200 0.062 0.000 0.982 299 S CB -1.225 61.995 63.200 0.033 0.000 0.789 299 S HN 0.624 nan 8.310 nan 0.000 0.490 300 C N -1.983 117.372 119.300 0.091 0.000 2.472 300 C HA 0.257 4.717 4.460 -0.000 0.000 0.278 300 C C 1.093 176.181 174.990 0.163 0.000 1.447 300 C CA -1.496 57.572 59.018 0.084 0.000 1.773 300 C CB -2.102 25.661 27.740 0.038 0.000 1.793 300 C HN 0.656 nan 8.230 nan 0.000 0.544 301 W N 3.052 124.342 121.300 -0.017 0.000 2.419 301 W HA 0.405 5.065 4.660 -0.000 0.000 0.312 301 W C 1.376 177.873 176.519 -0.035 0.000 1.323 301 W CA -0.712 56.633 57.345 0.000 0.000 1.293 301 W CB 0.060 29.554 29.460 0.056 0.000 1.324 301 W HN 0.375 nan 8.180 nan 0.000 0.512 302 R N 2.979 123.706 120.500 0.377 0.000 2.142 302 R HA 0.172 4.512 4.340 -0.000 0.000 0.204 302 R C -0.506 175.835 176.300 0.069 0.000 1.059 302 R CA 0.735 56.913 56.100 0.129 0.000 1.055 302 R CB 0.268 30.642 30.300 0.123 0.000 0.976 302 R HN 0.145 nan 8.270 nan 0.000 0.483 303 V N 1.863 121.905 119.914 0.213 0.000 2.357 303 V HA 0.483 4.603 4.120 -0.000 0.000 0.281 303 V C -0.857 175.423 176.094 0.310 0.000 1.015 303 V CA -0.870 61.537 62.300 0.177 0.000 0.827 303 V CB 1.236 33.180 31.823 0.203 0.000 1.018 303 V HN 0.269 nan 8.190 nan 0.000 0.432 304 A N 3.793 126.638 122.820 0.042 0.000 2.621 304 A HA 0.715 5.035 4.320 -0.000 0.000 0.329 304 A C 0.723 178.539 177.584 0.386 0.000 1.458 304 A CA 0.013 52.164 52.037 0.189 0.000 1.052 304 A CB 0.031 18.773 19.000 -0.430 0.000 1.142 304 A HN 0.926 nan 8.150 nan 0.000 0.523 305 G N 1.256 110.335 108.800 0.464 0.000 2.372 305 G HA2 0.540 4.500 3.960 -0.000 0.000 0.283 305 G HA3 0.540 4.500 3.960 -0.000 0.000 0.283 305 G C -0.545 174.555 174.900 0.333 0.000 1.177 305 G CA -0.311 44.999 45.100 0.350 0.000 0.842 305 G HN 0.562 nan 8.290 nan 0.000 0.503 306 I N 1.248 121.917 120.570 0.165 0.000 2.465 306 I HA 0.782 4.952 4.170 -0.000 0.000 0.291 306 I C 0.614 176.766 176.117 0.058 0.000 1.014 306 I CA -0.307 61.071 61.300 0.130 0.000 1.093 306 I CB 2.145 40.105 38.000 -0.067 0.000 1.267 306 I HN 0.738 nan 8.210 nan 0.000 0.431 307 G N 2.666 111.498 108.800 0.054 0.000 2.706 307 G HA2 0.680 4.640 3.960 -0.000 0.000 0.307 307 G HA3 0.680 4.640 3.960 -0.000 0.000 0.307 307 G C -0.090 174.830 174.900 0.032 0.000 1.307 307 G CA 0.103 45.218 45.100 0.025 0.000 0.790 307 G HN 1.199 nan 8.290 nan 0.000 0.503 308 A N -1.494 121.346 122.820 0.033 0.000 3.244 308 A HA -0.122 4.198 4.320 -0.000 0.000 0.233 308 A C 0.428 178.064 177.584 0.087 0.000 0.701 308 A CA 2.056 54.117 52.037 0.038 0.000 1.381 308 A CB -1.917 17.093 19.000 0.017 0.000 1.208 308 A HN 1.060 nan 8.150 nan 0.000 0.685 309 E N -0.464 119.802 120.200 0.111 0.000 2.393 309 E HA 0.526 4.876 4.350 -0.000 0.000 0.273 309 E C -3.013 173.666 176.600 0.133 0.000 0.918 309 E CA -2.536 53.947 56.400 0.138 0.000 0.773 309 E CB 1.290 31.092 29.700 0.170 0.000 1.275 309 E HN 0.141 nan 8.360 nan 0.000 0.451 310 P HA -0.054 nan 4.420 nan 0.000 0.257 310 P C -0.736 176.639 177.300 0.125 0.000 1.162 310 P CA 0.732 63.916 63.100 0.140 0.000 0.762 310 P CB 0.068 31.875 31.700 0.178 0.000 0.753 311 I N 1.753 122.376 120.570 0.089 0.000 2.474 311 I HA 0.108 4.278 4.170 -0.000 0.000 0.287 311 I C 0.970 177.119 176.117 0.052 0.000 1.048 311 I CA 0.129 61.459 61.300 0.050 0.000 1.383 311 I CB 0.883 38.877 38.000 -0.009 0.000 1.412 311 I HN 0.217 nan 8.210 nan 0.000 0.531 312 S N 4.939 120.669 115.700 0.050 0.000 2.434 312 S HA 0.474 4.944 4.470 -0.000 0.000 0.318 312 S C 1.040 175.652 174.600 0.021 0.000 1.062 312 S CA -0.429 57.807 58.200 0.060 0.000 1.116 312 S CB 0.841 64.114 63.200 0.122 0.000 0.977 312 S HN 0.740 nan 8.310 nan 0.000 0.480 313 A N 3.989 126.812 122.820 0.007 0.000 1.972 313 A HA -0.076 4.244 4.320 -0.000 0.000 0.219 313 A C 1.962 179.583 177.584 0.062 0.000 1.169 313 A CA 1.595 53.633 52.037 0.002 0.000 0.635 313 A CB -0.527 18.473 19.000 0.000 0.000 0.810 313 A HN 0.897 nan 8.150 nan 0.000 0.446 314 E N -0.296 119.953 120.200 0.082 0.000 2.072 314 E HA -0.229 4.121 4.350 -0.000 0.000 0.191 314 E C 2.100 178.819 176.600 0.198 0.000 0.985 314 E CA 1.210 57.695 56.400 0.142 0.000 0.801 314 E CB -0.155 29.629 29.700 0.140 0.000 0.750 314 E HN 0.773 nan 8.360 nan 0.000 0.452 315 Q N 0.139 120.038 119.800 0.165 0.000 2.119 315 Q HA -0.115 4.225 4.340 -0.000 0.000 0.201 315 Q C 2.404 178.516 176.000 0.188 0.000 0.972 315 Q CA 1.144 57.057 55.803 0.184 0.000 0.847 315 Q CB 0.020 28.861 28.738 0.171 0.000 0.903 315 Q HN 0.364 nan 8.270 nan 0.000 0.433 316 L N -0.208 121.059 121.223 0.073 0.000 2.156 316 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 316 L C 2.602 179.679 176.870 0.345 0.000 1.095 316 L CA 0.895 55.717 54.840 -0.028 0.000 0.770 316 L CB -0.616 41.110 42.059 -0.556 0.000 0.914 316 L HN 0.419 nan 8.230 nan 0.000 0.439 317 H N 0.621 119.823 119.070 0.220 0.000 2.326 317 H HA -0.174 4.382 4.556 -0.000 0.000 0.301 317 H C 2.086 177.561 175.328 0.245 0.000 1.081 317 H CA 1.822 58.020 56.048 0.249 0.000 1.334 317 H CB 0.224 30.079 29.762 0.155 0.000 1.385 317 H HN 0.403 nan 8.280 nan 0.000 0.504 318 Q N -0.433 119.456 119.800 0.148 0.000 2.096 318 Q HA -0.182 4.157 4.340 -0.000 0.000 0.204 318 Q C 2.276 178.345 176.000 0.116 0.000 0.982 318 Q CA 1.896 57.744 55.803 0.075 0.000 0.850 318 Q CB -0.278 28.556 28.738 0.161 0.000 0.901 318 Q HN 0.423 nan 8.270 nan 0.000 0.422 319 F N 0.836 120.868 119.950 0.137 0.000 2.134 319 F HA -0.201 4.326 4.527 -0.000 0.000 0.299 319 F C 2.089 178.013 175.800 0.206 0.000 1.097 319 F CA 1.338 59.481 58.000 0.239 0.000 1.264 319 F CB -0.339 38.843 39.000 0.303 0.000 1.001 319 F HN 0.015 nan 8.300 nan 0.000 0.479 320 A N 0.232 123.265 122.820 0.354 0.000 1.877 320 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 320 A C 2.147 179.748 177.584 0.028 0.000 1.186 320 A CA 1.806 53.998 52.037 0.260 0.000 0.620 320 A CB -0.790 18.436 19.000 0.376 0.000 0.822 320 A HN 0.430 nan 8.150 nan 0.000 0.443 321 E N -0.512 119.617 120.200 -0.118 0.000 2.031 321 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 321 E C 2.211 178.700 176.600 -0.186 0.000 0.994 321 E CA 1.218 57.520 56.400 -0.164 0.000 0.800 321 E CB -1.329 28.223 29.700 -0.246 0.000 0.752 321 E HN 0.647 nan 8.360 nan 0.000 0.447 322 C N 0.092 119.232 119.300 -0.266 0.000 2.396 322 C HA -0.177 4.283 4.460 -0.000 0.000 0.277 322 C C 2.187 176.765 174.990 -0.685 0.000 1.231 322 C CA 0.811 59.537 59.018 -0.486 0.000 1.775 322 C CB -1.193 26.184 27.740 -0.606 0.000 2.036 322 C HN 0.285 nan 8.230 nan 0.000 0.484 323 F N 0.150 119.890 119.950 -0.350 0.000 2.682 323 F HA 0.322 4.849 4.527 -0.000 0.000 0.308 323 F C 2.076 177.823 175.800 -0.088 0.000 1.093 323 F CA 0.324 58.137 58.000 -0.312 0.000 1.244 323 F CB -0.602 38.002 39.000 -0.661 0.000 1.052 323 F HN 0.161 nan 8.300 nan 0.000 0.573 324 R N 1.734 122.274 120.500 0.067 0.000 2.103 324 R HA -0.239 4.101 4.340 -0.000 0.000 0.242 324 R C 2.039 178.373 176.300 0.056 0.000 1.142 324 R CA 2.281 58.431 56.100 0.085 0.000 0.960 324 R CB -0.436 29.879 30.300 0.025 0.000 0.858 324 R HN 0.492 nan 8.270 nan 0.000 0.439 325 Q N 0.621 120.426 119.800 0.009 0.000 2.541 325 Q HA -0.031 4.309 4.340 -0.000 0.000 0.215 325 Q C 0.794 176.813 176.000 0.031 0.000 0.977 325 Q CA 1.189 56.993 55.803 0.002 0.000 0.934 325 Q CB 0.406 29.122 28.738 -0.036 0.000 0.988 325 Q HN 0.419 nan 8.270 nan 0.000 0.521 326 V N -3.018 116.945 119.914 0.082 0.000 2.988 326 V HA 0.366 4.486 4.120 -0.000 0.000 0.356 326 V C -0.489 175.679 176.094 0.123 0.000 1.380 326 V CA -0.494 61.867 62.300 0.101 0.000 1.184 326 V CB -0.358 31.550 31.823 0.141 0.000 1.204 326 V HN 0.240 nan 8.190 nan 0.000 0.530 327 N N -0.130 118.632 118.700 0.104 0.000 2.829 327 N HA -0.212 4.528 4.740 -0.000 0.000 0.250 327 N C -0.471 175.106 175.510 0.112 0.000 1.090 327 N CA 1.169 54.267 53.050 0.080 0.000 0.781 327 N CB -1.858 36.663 38.487 0.056 0.000 1.124 327 N HN 0.834 nan 8.380 nan 0.000 0.559 328 F N 1.637 121.598 119.950 0.019 0.000 2.438 328 F HA 0.334 4.861 4.527 -0.000 0.000 0.356 328 F C 0.510 176.246 175.800 -0.106 0.000 1.099 328 F CA -0.804 57.184 58.000 -0.020 0.000 1.185 328 F CB 0.636 39.633 39.000 -0.005 0.000 1.115 328 F HN -0.018 nan 8.300 nan 0.000 0.526 329 D N 4.747 124.581 120.400 -0.944 0.000 2.412 329 D HA 0.098 4.738 4.640 -0.000 0.000 0.224 329 D C 0.886 176.526 176.300 -1.100 0.000 1.093 329 D CA -0.437 53.124 54.000 -0.730 0.000 0.850 329 D CB 0.468 40.998 40.800 -0.451 0.000 1.046 329 D HN 0.691 nan 8.370 nan 0.000 0.507 330 N N 3.595 121.878 118.700 -0.694 0.000 2.417 330 N HA -0.226 4.514 4.740 -0.000 0.000 0.187 330 N C 0.954 176.181 175.510 -0.472 0.000 1.027 330 N CA 0.961 53.654 53.050 -0.594 0.000 0.891 330 N CB 0.120 38.539 38.487 -0.113 0.000 0.956 330 N HN 0.157 nan 8.380 nan 0.000 0.442 331 K N -0.166 120.014 120.400 -0.366 0.000 2.439 331 K HA 0.003 4.323 4.320 -0.000 0.000 0.197 331 K C 1.563 178.017 176.600 -0.243 0.000 1.041 331 K CA 1.256 57.414 56.287 -0.216 0.000 0.970 331 K CB -0.565 31.844 32.500 -0.152 0.000 0.773 331 K HN 0.659 nan 8.250 nan 0.000 0.479 332 T N -1.239 113.044 114.554 -0.451 0.000 3.035 332 T HA 0.001 4.351 4.350 -0.000 0.000 0.268 332 T C 1.118 175.693 174.700 -0.208 0.000 1.109 332 T CA -0.015 61.852 62.100 -0.388 0.000 1.119 332 T CB -0.245 68.242 68.868 -0.636 0.000 0.900 332 T HN -0.199 nan 8.240 nan 0.000 0.503 336 C N -0.409 118.851 119.300 -0.066 0.000 3.154 336 C HA 0.920 5.380 4.460 -0.000 0.000 0.312 336 C C -1.414 173.497 174.990 -0.133 0.000 1.349 336 C CA -1.032 57.845 59.018 -0.235 0.000 1.518 336 C CB 1.691 29.096 27.740 -0.559 0.000 1.934 336 C HN 0.694 nan 8.230 nan 0.000 0.462 337 Y N 0.212 120.300 120.300 -0.353 0.000 2.524 337 Y HA 0.811 5.361 4.550 -0.000 0.000 0.347 337 Y C -0.131 175.643 175.900 -0.210 0.000 1.005 337 Y CA 0.469 58.441 58.100 -0.213 0.000 1.025 337 Y CB 1.903 40.270 38.460 -0.156 0.000 1.275 337 Y HN 1.567 nan 8.280 nan 0.000 0.460 338 G N 4.087 112.367 108.800 -0.867 0.000 2.466 338 G HA2 0.541 4.501 3.960 -0.000 0.000 0.291 338 G HA3 0.541 4.501 3.960 -0.000 0.000 0.291 338 G C -2.430 172.140 174.900 -0.550 0.000 1.460 338 G CA -0.521 44.153 45.100 -0.709 0.000 0.791 338 G HN 1.182 nan 8.290 nan 0.000 0.505 339 L N -2.302 118.718 121.223 -0.339 0.000 2.469 339 L HA 0.852 5.192 4.340 -0.000 0.000 0.256 339 L C 1.108 177.933 176.870 -0.076 0.000 1.006 339 L CA -0.576 54.165 54.840 -0.166 0.000 0.832 339 L CB 1.538 43.524 42.059 -0.122 0.000 1.421 339 L HN 1.050 nan 8.230 nan 0.000 0.410 340 A N 0.339 123.151 122.820 -0.014 0.000 1.978 340 A HA -0.142 4.178 4.320 -0.000 0.000 0.220 340 A C 1.675 179.268 177.584 0.015 0.000 1.170 340 A CA 1.956 54.011 52.037 0.031 0.000 0.636 340 A CB -0.701 18.341 19.000 0.070 0.000 0.810 340 A HN 0.965 nan 8.150 nan 0.000 0.448 341 E N -0.165 120.034 120.200 -0.000 0.000 2.331 341 E HA -0.108 4.242 4.350 -0.000 0.000 0.199 341 E C 1.260 177.832 176.600 -0.046 0.000 1.008 341 E CA 0.868 57.245 56.400 -0.039 0.000 0.843 341 E CB -0.202 29.487 29.700 -0.018 0.000 0.761 341 E HN 0.712 nan 8.360 nan 0.000 0.507 342 N N -1.475 117.207 118.700 -0.031 0.000 2.401 342 N HA 0.194 4.934 4.740 -0.000 0.000 0.264 342 N C 0.118 175.627 175.510 -0.001 0.000 1.238 342 N CA 0.524 53.564 53.050 -0.016 0.000 0.889 342 N CB 0.328 38.803 38.487 -0.021 0.000 1.196 342 N HN 0.082 nan 8.380 nan 0.000 0.511 343 A N 0.214 123.041 122.820 0.011 0.000 1.345 343 A HA -0.253 4.067 4.320 -0.000 0.000 0.221 343 A C 0.727 178.348 177.584 0.062 0.000 0.422 343 A CA 1.710 53.784 52.037 0.062 0.000 1.098 343 A CB -1.346 17.694 19.000 0.067 0.000 1.468 343 A HN 0.408 nan 8.150 nan 0.000 0.722 344 L N -3.907 117.325 121.223 0.016 0.000 1.848 344 L HA 0.573 4.913 4.340 -0.000 0.000 0.113 344 L C 0.737 177.562 176.870 -0.076 0.000 1.456 344 L CA 0.671 55.506 54.840 -0.010 0.000 1.065 344 L CB -0.146 41.928 42.059 0.025 0.000 2.149 344 L HN 1.280 nan 8.230 nan 0.000 0.462 345 A N -0.102 122.689 122.820 -0.048 0.000 2.303 345 A HA 0.571 4.891 4.320 -0.000 0.000 0.317 345 A C 0.247 177.749 177.584 -0.137 0.000 1.149 345 A CA -0.153 51.816 52.037 -0.112 0.000 0.822 345 A CB 1.754 20.800 19.000 0.077 0.000 1.131 345 A HN 0.133 nan 8.150 nan 0.000 0.493 346 V N 0.785 120.573 119.914 -0.211 0.000 3.250 346 V HA 0.191 4.311 4.120 -0.000 0.000 0.240 346 V C 0.689 176.780 176.094 -0.005 0.000 1.275 346 V CA 1.431 63.672 62.300 -0.097 0.000 1.206 346 V CB 0.494 32.261 31.823 -0.094 0.000 0.976 346 V HN 1.141 nan 8.190 nan 0.000 0.467 347 S N -0.704 114.946 115.700 -0.082 0.000 2.570 347 S HA 0.773 5.243 4.470 -0.000 0.000 0.270 347 S C -1.490 172.966 174.600 -0.240 0.000 1.149 347 S CA -0.516 57.684 58.200 -0.001 0.000 0.837 347 S CB 2.220 65.468 63.200 0.080 0.000 1.124 347 S HN 0.005 nan 8.310 nan 0.000 0.465 348 F N 1.162 121.144 119.950 0.053 0.000 2.561 348 F HA 0.649 5.176 4.527 -0.000 0.000 0.313 348 F C 0.730 176.558 175.800 0.045 0.000 1.126 348 F CA -0.550 57.478 58.000 0.045 0.000 0.918 348 F CB 2.306 41.330 39.000 0.039 0.000 1.199 348 F HN 0.808 nan 8.300 nan 0.000 0.444 349 S N 1.621 117.419 115.700 0.163 0.000 2.569 349 S HA 0.027 4.497 4.470 -0.000 0.000 0.274 349 S C 0.015 174.687 174.600 0.119 0.000 1.353 349 S CA -0.636 57.609 58.200 0.076 0.000 1.023 349 S CB 0.237 63.437 63.200 -0.000 0.000 0.876 349 S HN 0.559 nan 8.310 nan 0.000 0.540 350 D N 1.924 122.364 120.400 0.067 0.000 2.419 350 D HA 0.048 4.688 4.640 -0.000 0.000 0.236 350 D C 0.360 176.690 176.300 0.050 0.000 1.165 350 D CA 0.349 54.395 54.000 0.077 0.000 0.882 350 D CB 0.230 41.067 40.800 0.061 0.000 1.201 350 D HN 0.663 nan 8.370 nan 0.000 0.443 351 E N -0.063 120.159 120.200 0.037 0.000 2.414 351 E HA 0.160 4.510 4.350 -0.000 0.000 0.263 351 E C 0.157 176.758 176.600 0.003 0.000 1.000 351 E CA 0.059 56.467 56.400 0.014 0.000 0.914 351 E CB 0.318 30.015 29.700 -0.005 0.000 0.948 351 E HN 0.498 nan 8.360 nan 0.000 0.444 352 A N 2.962 125.777 122.820 -0.009 0.000 2.799 352 A HA -0.272 4.048 4.320 -0.000 0.000 0.287 352 A C 1.342 178.911 177.584 -0.026 0.000 1.484 352 A CA 1.367 53.386 52.037 -0.031 0.000 0.813 352 A CB -2.428 16.552 19.000 -0.033 0.000 1.009 352 A HN 0.739 nan 8.150 nan 0.000 0.545 353 S N -1.287 114.408 115.700 -0.009 0.000 2.421 353 S HA 0.437 4.907 4.470 -0.000 0.000 0.224 353 S C 2.131 176.733 174.600 0.003 0.000 1.035 353 S CA 1.266 59.461 58.200 -0.008 0.000 0.953 353 S CB -0.500 62.693 63.200 -0.012 0.000 0.810 353 S HN 2.683 nan 8.310 nan 0.000 0.497 354 G N 0.678 109.495 108.800 0.027 0.000 2.750 354 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.228 354 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.228 354 G C -0.457 174.509 174.900 0.109 0.000 1.367 354 G CA -0.503 44.655 45.100 0.096 0.000 0.871 354 G HN 1.031 nan 8.290 nan 0.000 0.560 355 V N 0.475 120.483 119.914 0.158 0.000 2.446 355 V HA 0.372 4.492 4.120 -0.000 0.000 0.276 355 V C 0.998 177.111 176.094 0.032 0.000 1.030 355 V CA -0.148 62.193 62.300 0.068 0.000 1.033 355 V CB 0.825 32.683 31.823 0.058 0.000 0.993 355 V HN 0.786 nan 8.190 nan 0.000 0.477 356 V N 6.538 126.446 119.914 -0.011 0.000 2.472 356 V HA 0.605 4.725 4.120 -0.000 0.000 0.290 356 V C 0.062 176.181 176.094 0.043 0.000 1.037 356 V CA -0.416 61.876 62.300 -0.013 0.000 0.908 356 V CB 1.745 33.515 31.823 -0.089 0.000 0.985 356 V HN 0.761 nan 8.190 nan 0.000 0.454 357 V N 1.915 121.879 119.914 0.084 0.000 2.914 357 V HA 0.672 4.792 4.120 -0.000 0.000 0.314 357 V C -0.580 175.609 176.094 0.158 0.000 1.084 357 V CA -0.740 61.649 62.300 0.147 0.000 0.963 357 V CB 2.139 33.998 31.823 0.059 0.000 1.025 357 V HN 0.897 nan 8.190 nan 0.000 0.432 358 N N 1.946 120.745 118.700 0.164 0.000 2.442 358 N HA 0.376 5.116 4.740 -0.000 0.000 0.274 358 N C -0.821 174.680 175.510 -0.015 0.000 1.002 358 N CA -0.401 52.635 53.050 -0.024 0.000 0.910 358 N CB 2.085 40.342 38.487 -0.383 0.000 1.244 358 N HN 0.907 nan 8.380 nan 0.000 0.492 359 E N 1.469 121.640 120.200 -0.048 0.000 2.301 359 E HA 0.346 4.696 4.350 -0.000 0.000 0.275 359 E C -0.532 176.017 176.600 -0.085 0.000 1.030 359 E CA -0.676 55.673 56.400 -0.086 0.000 0.852 359 E CB 1.812 31.460 29.700 -0.086 0.000 1.060 359 E HN 0.412 nan 8.360 nan 0.000 0.401 360 V N -0.257 119.591 119.914 -0.110 0.000 2.760 360 V HA 0.300 4.420 4.120 -0.000 0.000 0.309 360 V C -0.397 175.638 176.094 -0.099 0.000 1.077 360 V CA -1.245 60.996 62.300 -0.098 0.000 0.910 360 V CB 1.960 33.737 31.823 -0.076 0.000 1.008 360 V HN 0.643 nan 8.190 nan 0.000 0.424 361 D N 3.099 123.453 120.400 -0.077 0.000 2.455 361 D HA -0.026 4.614 4.640 -0.000 0.000 0.265 361 D C 1.209 177.486 176.300 -0.039 0.000 1.284 361 D CA 0.589 54.555 54.000 -0.056 0.000 0.944 361 D CB 0.913 41.690 40.800 -0.038 0.000 1.121 361 D HN 0.820 nan 8.370 nan 0.000 0.525 362 R N 3.543 124.014 120.500 -0.048 0.000 2.091 362 R HA -0.177 4.163 4.340 -0.000 0.000 0.238 362 R C 1.210 177.549 176.300 0.066 0.000 1.136 362 R CA 1.570 57.658 56.100 -0.020 0.000 0.959 362 R CB 0.127 30.401 30.300 -0.043 0.000 0.856 362 R HN 0.444 nan 8.270 nan 0.000 0.437 363 D N 0.216 120.670 120.400 0.089 0.000 2.144 363 D HA -0.142 4.498 4.640 -0.000 0.000 0.199 363 D C 1.899 178.358 176.300 0.266 0.000 0.984 363 D CA 1.339 55.472 54.000 0.223 0.000 0.834 363 D CB -0.047 40.850 40.800 0.161 0.000 0.955 363 D HN 0.356 nan 8.370 nan 0.000 0.465 364 I N 0.394 121.041 120.570 0.127 0.000 2.394 364 I HA -0.217 3.953 4.170 -0.000 0.000 0.251 364 I C 2.334 178.518 176.117 0.112 0.000 1.136 364 I CA 0.282 61.646 61.300 0.107 0.000 1.425 364 I CB 0.013 38.031 38.000 0.029 0.000 1.079 364 I HN -0.021 nan 8.210 nan 0.000 0.425 365 L N 0.727 121.998 121.223 0.081 0.000 2.027 365 L HA -0.191 4.149 4.340 -0.000 0.000 0.206 365 L C 2.384 179.377 176.870 0.205 0.000 1.074 365 L CA 1.919 56.806 54.840 0.077 0.000 0.745 365 L CB -0.425 41.624 42.059 -0.016 0.000 0.898 365 L HN 0.163 nan 8.230 nan 0.000 0.433 366 E N -1.783 118.535 120.200 0.198 0.000 2.150 366 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 366 E C 1.780 178.338 176.600 -0.070 0.000 0.985 366 E CA 1.509 57.976 56.400 0.112 0.000 0.814 366 E CB -0.080 29.589 29.700 -0.052 0.000 0.752 366 E HN 0.594 nan 8.360 nan 0.000 0.466 367 Y N -0.376 119.993 120.300 0.115 0.000 2.524 367 Y HA 0.098 4.648 4.550 -0.000 0.000 0.270 367 Y C 1.778 177.713 175.900 0.059 0.000 1.094 367 Y CA 0.386 58.531 58.100 0.074 0.000 1.276 367 Y CB 0.691 39.181 38.460 0.051 0.000 1.130 367 Y HN -0.083 nan 8.280 nan 0.000 0.536 368 Q N -1.364 118.550 119.800 0.190 0.000 2.211 368 Q HA 0.249 4.589 4.340 -0.000 0.000 0.242 368 Q C 1.251 177.305 176.000 0.090 0.000 0.825 368 Q CA 0.430 56.304 55.803 0.118 0.000 0.951 368 Q CB 1.491 30.281 28.738 0.086 0.000 1.130 368 Q HN 0.412 nan 8.270 nan 0.000 0.496 369 G N 2.131 110.999 108.800 0.114 0.000 2.179 369 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.257 369 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.257 369 G C -0.236 174.688 174.900 0.040 0.000 1.010 369 G CA 0.610 45.781 45.100 0.118 0.000 0.736 369 G HN 0.163 nan 8.290 nan 0.000 0.513 370 K N -0.212 120.185 120.400 -0.005 0.000 2.203 370 K HA 0.753 5.073 4.320 -0.000 0.000 0.251 370 K C 0.129 176.624 176.600 -0.174 0.000 0.944 370 K CA -0.130 56.106 56.287 -0.086 0.000 0.829 370 K CB 2.121 34.587 32.500 -0.056 0.000 1.125 370 K HN 0.487 nan 8.250 nan 0.000 0.430 371 A N 2.205 124.817 122.820 -0.345 0.000 2.294 371 A HA 0.467 4.787 4.320 -0.000 0.000 0.316 371 A C -0.298 177.116 177.584 -0.283 0.000 1.359 371 A CA -0.586 51.184 52.037 -0.446 0.000 0.956 371 A CB -0.107 18.243 19.000 -1.083 0.000 1.155 371 A HN 0.537 nan 8.150 nan 0.000 0.544 372 V N 0.419 120.233 119.914 -0.168 0.000 2.919 372 V HA 0.922 5.042 4.120 -0.000 0.000 0.316 372 V C 0.368 176.406 176.094 -0.093 0.000 1.077 372 V CA -0.548 61.684 62.300 -0.112 0.000 0.977 372 V CB 1.309 33.089 31.823 -0.073 0.000 1.039 372 V HN 1.465 nan 8.190 nan 0.000 0.441 373 A N 4.484 127.261 122.820 -0.072 0.000 2.462 373 A HA 0.604 4.924 4.320 -0.000 0.000 0.243 373 A C -2.025 175.526 177.584 -0.054 0.000 1.076 373 A CA -0.993 51.008 52.037 -0.060 0.000 0.773 373 A CB -0.576 18.397 19.000 -0.044 0.000 1.010 373 A HN 0.889 nan 8.150 nan 0.000 0.493 374 P HA 0.172 nan 4.420 nan 0.000 0.271 374 P C 0.659 177.934 177.300 -0.041 0.000 1.220 374 P CA 0.369 63.438 63.100 -0.051 0.000 0.768 374 P CB 0.968 32.632 31.700 -0.059 0.000 0.848 375 G N 2.330 111.108 108.800 -0.037 0.000 2.803 375 G HA2 0.293 4.253 3.960 -0.000 0.000 0.177 375 G HA3 0.293 4.253 3.960 -0.000 0.000 0.177 375 G C 0.916 175.798 174.900 -0.030 0.000 1.629 375 G CA 0.508 45.589 45.100 -0.031 0.000 1.077 375 G HN 0.485 nan 8.290 nan 0.000 0.556 376 A N -2.276 120.528 122.820 -0.027 0.000 2.026 376 A HA 0.519 4.839 4.320 -0.000 0.000 0.201 376 A C 1.927 179.495 177.584 -0.027 0.000 1.318 376 A CA 1.399 53.421 52.037 -0.026 0.000 0.857 376 A CB -0.386 18.601 19.000 -0.022 0.000 0.939 376 A HN 0.801 nan 8.150 nan 0.000 0.476 377 E N 0.475 120.659 120.200 -0.027 0.000 2.335 377 E HA 0.277 4.627 4.350 -0.000 0.000 0.191 377 E C 0.226 176.807 176.600 -0.032 0.000 1.150 377 E CA 0.491 56.875 56.400 -0.028 0.000 1.001 377 E CB -1.158 28.526 29.700 -0.026 0.000 1.127 377 E HN 0.339 nan 8.360 nan 0.000 0.462 378 T N 0.632 115.166 114.554 -0.034 0.000 2.743 378 T HA 0.294 4.644 4.350 -0.000 0.000 0.293 378 T C 1.112 175.786 174.700 -0.044 0.000 0.945 378 T CA -0.562 61.514 62.100 -0.039 0.000 1.030 378 T CB 1.164 70.006 68.868 -0.043 0.000 0.912 378 T HN 0.338 nan 8.240 nan 0.000 0.483 379 R N 1.960 122.434 120.500 -0.045 0.000 2.051 379 R HA 0.244 4.584 4.340 -0.000 0.000 0.225 379 R C 0.916 177.173 176.300 -0.071 0.000 1.155 379 R CA 0.553 56.621 56.100 -0.052 0.000 0.945 379 R CB 0.024 30.296 30.300 -0.048 0.000 0.840 379 R HN 0.635 nan 8.270 nan 0.000 0.432 380 A N 0.714 123.487 122.820 -0.078 0.000 2.337 380 A HA 0.597 4.917 4.320 -0.000 0.000 0.331 380 A C -0.936 176.585 177.584 -0.105 0.000 1.137 380 A CA -0.480 51.491 52.037 -0.110 0.000 0.807 380 A CB 1.916 20.829 19.000 -0.146 0.000 1.250 380 A HN 0.048 nan 8.150 nan 0.000 0.468 381 V N 1.166 121.001 119.914 -0.132 0.000 2.638 381 V HA 0.510 4.630 4.120 -0.000 0.000 0.306 381 V C -0.015 175.951 176.094 -0.213 0.000 1.052 381 V CA -0.461 61.750 62.300 -0.148 0.000 0.885 381 V CB 2.114 33.859 31.823 -0.130 0.000 0.999 381 V HN 0.921 nan 8.190 nan 0.000 0.424 382 S N 2.193 117.731 115.700 -0.270 0.000 2.525 382 S HA 0.656 5.126 4.470 -0.000 0.000 0.290 382 S C -0.140 174.134 174.600 -0.544 0.000 1.152 382 S CA -0.466 57.456 58.200 -0.462 0.000 1.072 382 S CB 1.628 64.462 63.200 -0.609 0.000 1.027 382 S HN 0.790 nan 8.310 nan 0.000 0.500 383 T N 3.609 117.802 114.554 -0.601 0.000 2.864 383 T HA 0.491 4.841 4.350 -0.000 0.000 0.310 383 T C -0.978 173.449 174.700 -0.454 0.000 1.040 383 T CA -0.268 61.589 62.100 -0.406 0.000 0.977 383 T CB -0.102 68.632 68.868 -0.223 0.000 0.976 383 T HN 0.308 nan 8.240 nan 0.000 0.459 384 F N 1.701 121.665 119.950 0.024 0.000 2.422 384 F HA 0.519 5.046 4.527 -0.000 0.000 0.333 384 F C 0.454 176.358 175.800 0.174 0.000 1.095 384 F CA -1.259 56.793 58.000 0.087 0.000 1.038 384 F CB 0.967 40.051 39.000 0.140 0.000 1.156 384 F HN 0.165 nan 8.300 nan 0.000 0.483 385 V N 3.070 123.145 119.914 0.269 0.000 2.530 385 V HA 0.075 4.195 4.120 -0.000 0.000 0.282 385 V C 0.332 176.378 176.094 -0.080 0.000 1.048 385 V CA -0.868 61.495 62.300 0.105 0.000 0.997 385 V CB 0.957 32.785 31.823 0.008 0.000 0.987 385 V HN 0.686 nan 8.190 nan 0.000 0.477 386 N N 3.453 122.017 118.700 -0.227 0.000 2.438 386 N HA 0.023 4.763 4.740 -0.000 0.000 0.267 386 N C 0.393 175.637 175.510 -0.444 0.000 1.222 386 N CA 0.024 52.622 53.050 -0.753 0.000 0.930 386 N CB 1.014 39.205 38.487 -0.493 0.000 1.083 386 N HN 0.755 nan 8.380 nan 0.000 0.476 387 C N 2.620 121.644 119.300 -0.461 0.000 2.906 387 C HA 0.443 4.903 4.460 -0.000 0.000 0.274 387 C C 1.130 176.070 174.990 -0.082 0.000 1.257 387 C CA 0.363 59.251 59.018 -0.218 0.000 1.695 387 C CB -1.405 26.212 27.740 -0.206 0.000 1.958 387 C HN 0.940 nan 8.230 nan 0.000 0.619 388 G N 1.238 110.029 108.800 -0.014 0.000 2.655 388 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.680 388 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.680 388 G C -1.005 174.041 174.900 0.243 0.000 1.302 388 G CA -0.894 44.348 45.100 0.237 0.000 0.872 388 G HN 0.379 nan 8.290 nan 0.000 0.540 389 K N 0.176 120.682 120.400 0.178 0.000 2.132 389 K HA 0.750 5.070 4.320 -0.000 0.000 0.241 389 K C 0.880 177.519 176.600 0.065 0.000 1.000 389 K CA -0.125 56.170 56.287 0.013 0.000 0.911 389 K CB 1.446 33.855 32.500 -0.152 0.000 1.093 389 K HN 1.301 nan 8.250 nan 0.000 0.460 390 A N 1.379 124.233 122.820 0.057 0.000 2.583 390 A HA 0.035 4.354 4.320 -0.000 0.000 0.231 390 A C -0.017 177.623 177.584 0.095 0.000 1.065 390 A CA 0.056 52.149 52.037 0.094 0.000 0.760 390 A CB -0.247 18.819 19.000 0.111 0.000 1.001 390 A HN 0.567 nan 8.150 nan 0.000 0.509 391 L N 2.155 123.435 121.223 0.094 0.000 2.395 391 L HA 0.305 4.645 4.340 -0.000 0.000 0.269 391 L C -1.936 175.024 176.870 0.151 0.000 1.133 391 L CA -1.785 53.099 54.840 0.072 0.000 0.812 391 L CB 0.695 42.692 42.059 -0.103 0.000 1.125 391 L HN 0.439 nan 8.230 nan 0.000 0.452 392 P HA -0.020 nan 4.420 nan 0.000 0.261 392 P C -0.233 177.198 177.300 0.219 0.000 1.183 392 P CA 0.450 63.629 63.100 0.132 0.000 0.761 392 P CB 0.357 32.115 31.700 0.097 0.000 0.785 393 E N -0.902 119.366 120.200 0.114 0.000 4.217 393 E HA -0.184 4.166 4.350 -0.000 0.000 0.365 393 E C -0.024 176.471 176.600 -0.174 0.000 0.647 393 E CA 0.630 57.021 56.400 -0.015 0.000 1.399 393 E CB -1.278 28.393 29.700 -0.047 0.000 1.766 393 E HN 0.715 nan 8.360 nan 0.000 0.394 394 H N -0.659 118.398 119.070 -0.021 0.000 2.679 394 H HA 0.618 5.174 4.556 -0.000 0.000 0.367 394 H C 0.368 175.692 175.328 -0.006 0.000 1.162 394 H CA -0.200 55.828 56.048 -0.032 0.000 1.181 394 H CB 2.165 31.927 29.762 0.001 0.000 1.693 394 H HN 0.099 nan 8.280 nan 0.000 0.538 395 G N 1.210 110.059 108.800 0.081 0.000 2.495 395 G HA2 0.572 4.532 3.960 -0.000 0.000 0.318 395 G HA3 0.572 4.532 3.960 -0.000 0.000 0.318 395 G C -0.895 174.173 174.900 0.279 0.000 1.257 395 G CA -0.555 44.640 45.100 0.157 0.000 0.962 395 G HN 0.477 nan 8.290 nan 0.000 0.483 396 I N 0.882 121.620 120.570 0.280 0.000 2.436 396 I HA 0.429 4.599 4.170 -0.000 0.000 0.289 396 I C -0.457 175.795 176.117 0.226 0.000 1.010 396 I CA -0.534 60.930 61.300 0.274 0.000 1.098 396 I CB 2.383 40.488 38.000 0.176 0.000 1.266 396 I HN 0.442 nan 8.210 nan 0.000 0.434 397 E N 6.128 126.438 120.200 0.184 0.000 2.272 397 E HA 0.479 4.829 4.350 -0.000 0.000 0.269 397 E C -1.343 175.251 176.600 -0.010 0.000 0.877 397 E CA -0.779 55.633 56.400 0.020 0.000 0.755 397 E CB 2.157 31.735 29.700 -0.203 0.000 1.192 397 E HN 0.372 nan 8.360 nan 0.000 0.422 398 I N 4.283 124.852 120.570 -0.002 0.000 2.291 398 I HA 0.345 4.515 4.170 -0.000 0.000 0.290 398 I C 0.183 176.292 176.117 -0.013 0.000 1.050 398 I CA -0.172 61.141 61.300 0.022 0.000 1.245 398 I CB 0.327 38.362 38.000 0.059 0.000 1.405 398 I HN 0.434 nan 8.210 nan 0.000 0.478 399 R N 4.315 124.801 120.500 -0.023 0.000 2.787 399 R HA 0.427 4.767 4.340 -0.000 0.000 0.271 399 R C 0.073 176.346 176.300 -0.046 0.000 0.993 399 R CA -0.829 55.225 56.100 -0.077 0.000 0.993 399 R CB 1.498 31.699 30.300 -0.165 0.000 1.155 399 R HN 0.607 nan 8.270 nan 0.000 0.486 400 N N -0.266 118.383 118.700 -0.086 0.000 2.514 400 N HA 0.002 4.742 4.740 -0.000 0.000 0.299 400 N C 0.503 175.840 175.510 -0.288 0.000 1.292 400 N CA -0.490 52.509 53.050 -0.086 0.000 0.963 400 N CB 0.292 38.760 38.487 -0.032 0.000 1.124 400 N HN 0.637 nan 8.380 nan 0.000 0.580 401 E N -1.107 118.960 120.200 -0.221 0.000 2.106 401 E HA -0.029 4.321 4.350 -0.000 0.000 0.192 401 E C 1.759 178.250 176.600 -0.182 0.000 0.984 401 E CA 1.197 57.434 56.400 -0.270 0.000 0.806 401 E CB -0.392 29.265 29.700 -0.072 0.000 0.750 401 E HN 0.650 nan 8.360 nan 0.000 0.458 402 A N 0.358 123.109 122.820 -0.115 0.000 2.019 402 A HA 0.156 4.476 4.320 -0.000 0.000 0.219 402 A C 1.206 178.727 177.584 -0.103 0.000 1.164 402 A CA 1.423 53.408 52.037 -0.086 0.000 0.644 402 A CB -0.602 18.362 19.000 -0.059 0.000 0.805 402 A HN 0.445 nan 8.150 nan 0.000 0.449 406 V N -0.931 118.968 119.914 -0.025 0.000 2.815 406 V HA 0.983 5.103 4.120 -0.000 0.000 0.314 406 V C 0.430 176.531 176.094 0.012 0.000 1.064 406 V CA -0.746 61.553 62.300 -0.002 0.000 0.952 406 V CB 1.576 33.407 31.823 0.013 0.000 1.020 406 V HN 0.887 nan 8.190 nan 0.000 0.439 407 A N 2.087 124.915 122.820 0.013 0.000 2.492 407 A HA 0.276 4.596 4.320 -0.000 0.000 0.236 407 A C 0.496 178.100 177.584 0.035 0.000 1.078 407 A CA -0.074 51.975 52.037 0.019 0.000 0.773 407 A CB -0.330 18.677 19.000 0.012 0.000 1.023 407 A HN 0.992 nan 8.150 nan 0.000 0.504 408 E N -0.290 119.936 120.200 0.043 0.000 2.437 408 E HA 0.093 4.443 4.350 -0.000 0.000 0.263 408 E C 0.417 177.048 176.600 0.051 0.000 1.030 408 E CA 0.475 56.917 56.400 0.071 0.000 0.934 408 E CB 0.172 29.917 29.700 0.074 0.000 0.943 408 E HN 0.665 nan 8.360 nan 0.000 0.444 409 R N -1.045 119.506 120.500 0.084 0.000 3.603 409 R HA -0.185 4.155 4.340 -0.000 0.000 0.479 409 R C -0.400 175.829 176.300 -0.118 0.000 0.745 409 R CA 0.700 56.757 56.100 -0.072 0.000 1.476 409 R CB -1.565 28.677 30.300 -0.097 0.000 2.147 409 R HN 0.310 nan 8.270 nan 0.000 0.447 410 V N 2.415 122.325 119.914 -0.006 0.000 2.530 410 V HA 0.222 4.342 4.120 -0.000 0.000 0.282 410 V C 1.011 177.142 176.094 0.062 0.000 1.048 410 V CA -0.237 62.067 62.300 0.006 0.000 0.997 410 V CB 1.652 33.491 31.823 0.026 0.000 0.987 410 V HN -0.034 nan 8.190 nan 0.000 0.477 411 V N 4.543 124.492 119.914 0.059 0.000 2.649 411 V HA 0.816 4.936 4.120 -0.000 0.000 0.292 411 V C 0.815 176.994 176.094 0.142 0.000 1.055 411 V CA 0.754 63.132 62.300 0.130 0.000 1.023 411 V CB 0.890 32.806 31.823 0.155 0.000 0.992 411 V HN 1.145 nan 8.190 nan 0.000 0.480 412 G N 2.407 111.298 108.800 0.153 0.000 2.554 412 G HA2 0.461 4.421 3.960 -0.000 0.000 0.306 412 G HA3 0.461 4.421 3.960 -0.000 0.000 0.306 412 G C -1.633 173.387 174.900 0.200 0.000 1.320 412 G CA -0.905 44.317 45.100 0.204 0.000 0.800 412 G HN 0.619 nan 8.290 nan 0.000 0.481 413 H N 0.040 119.130 119.070 0.032 0.000 2.819 413 H HA 0.372 4.928 4.556 -0.000 0.000 0.303 413 H C 0.595 175.942 175.328 0.033 0.000 1.058 413 H CA -0.183 55.887 56.048 0.036 0.000 1.471 413 H CB 0.533 30.310 29.762 0.026 0.000 1.480 413 H HN 0.298 nan 8.280 nan 0.000 0.517 414 I N 3.735 124.385 120.570 0.133 0.000 2.517 414 I HA -0.006 4.164 4.170 -0.000 0.000 0.285 414 I C -0.057 176.165 176.117 0.174 0.000 1.106 414 I CA 0.297 61.668 61.300 0.119 0.000 1.402 414 I CB 0.088 38.135 38.000 0.078 0.000 1.399 414 I HN 0.477 nan 8.210 nan 0.000 0.535 415 C N 7.612 127.010 119.300 0.163 0.000 2.417 415 C HA 0.658 5.118 4.460 -0.000 0.000 0.324 415 C C 0.107 175.357 174.990 0.433 0.000 1.240 415 C CA -0.702 58.449 59.018 0.222 0.000 1.632 415 C CB 0.738 28.484 27.740 0.010 0.000 2.241 415 C HN 0.671 nan 8.230 nan 0.000 0.499 416 I N 1.497 122.369 120.570 0.504 0.000 2.646 416 I HA 0.910 5.080 4.170 -0.000 0.000 0.299 416 I C -0.223 176.018 176.117 0.206 0.000 1.036 416 I CA -0.031 61.520 61.300 0.418 0.000 1.074 416 I CB 2.162 40.304 38.000 0.236 0.000 1.258 416 I HN 0.656 nan 8.210 nan 0.000 0.430 417 S N 3.067 118.650 115.700 -0.195 0.000 2.661 417 S HA 1.051 5.521 4.470 -0.000 0.000 0.285 417 S C -0.263 174.141 174.600 -0.326 0.000 1.138 417 S CA -0.236 57.619 58.200 -0.575 0.000 0.855 417 S CB 1.659 63.943 63.200 -1.527 0.000 1.136 417 S HN 2.019 nan 8.310 nan 0.000 0.484 418 G N 0.554 109.126 108.800 -0.380 0.000 2.347 418 G HA2 0.265 4.225 3.960 -0.000 0.000 0.477 418 G HA3 0.265 4.225 3.960 -0.000 0.000 0.477 418 G C -3.026 171.643 174.900 -0.385 0.000 1.349 418 G CA -0.282 44.521 45.100 -0.494 0.000 1.000 418 G HN 0.554 nan 8.290 nan 0.000 0.605 419 P HA 0.094 nan 4.420 nan 0.000 0.223 419 P C 1.622 178.897 177.300 -0.042 0.000 1.151 419 P CA 1.521 64.501 63.100 -0.200 0.000 0.787 419 P CB 0.199 31.799 31.700 -0.168 0.000 0.788 420 S N -0.904 114.870 115.700 0.123 0.000 2.607 420 S HA 0.040 4.509 4.470 -0.000 0.000 0.224 420 S C 0.862 175.490 174.600 0.047 0.000 0.969 420 S CA -0.042 58.252 58.200 0.157 0.000 0.927 420 S CB -0.639 62.716 63.200 0.259 0.000 0.772 420 S HN 0.024 nan 8.310 nan 0.000 0.533 424 G N 0.697 109.381 108.800 -0.193 0.000 2.346 424 G HA2 0.268 4.228 3.960 -0.000 0.000 0.294 424 G HA3 0.268 4.228 3.960 -0.000 0.000 0.294 424 G C -2.064 172.656 174.900 -0.300 0.000 1.294 424 G CA -0.977 43.971 45.100 -0.254 0.000 0.962 424 G HN 0.114 nan 8.290 nan 0.000 0.508 425 Y N -0.445 119.852 120.300 -0.004 0.000 2.334 425 Y HA 0.620 5.170 4.550 -0.000 0.000 0.328 425 Y C 0.658 176.581 175.900 0.038 0.000 1.130 425 Y CA -0.715 57.382 58.100 -0.004 0.000 1.163 425 Y CB 1.246 39.701 38.460 -0.009 0.000 1.207 425 Y HN 0.522 nan 8.280 nan 0.000 0.471 426 F N 2.237 122.227 119.950 0.067 0.000 2.578 426 F HA 0.365 4.892 4.527 -0.000 0.000 0.376 426 F C 1.257 177.106 175.800 0.081 0.000 1.085 426 F CA 1.359 59.383 58.000 0.040 0.000 1.260 426 F CB 0.357 39.368 39.000 0.018 0.000 1.095 426 F HN 0.782 nan 8.300 nan 0.000 0.573 427 G N 3.496 112.072 108.800 -0.373 0.000 2.179 427 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.260 427 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.260 427 G C -0.163 174.705 174.900 -0.053 0.000 0.977 427 G CA 0.246 45.225 45.100 -0.202 0.000 0.641 427 G HN 0.779 nan 8.290 nan 0.000 0.533 428 D N 0.169 120.571 120.400 0.003 0.000 2.472 428 D HA 0.548 5.188 4.640 -0.000 0.000 0.234 428 D C 1.282 177.601 176.300 0.032 0.000 1.088 428 D CA -0.583 53.457 54.000 0.067 0.000 0.882 428 D CB 1.268 42.174 40.800 0.176 0.000 1.037 428 D HN 0.101 nan 8.370 nan 0.000 0.520 429 Q N 2.489 122.292 119.800 0.005 0.000 2.083 429 Q HA -0.033 4.307 4.340 -0.000 0.000 0.198 429 Q C 1.655 177.662 176.000 0.011 0.000 0.969 429 Q CA 1.177 56.973 55.803 -0.011 0.000 0.838 429 Q CB -0.162 28.563 28.738 -0.022 0.000 0.900 429 Q HN 0.405 nan 8.270 nan 0.000 0.436 430 V N 0.685 120.617 119.914 0.030 0.000 2.332 430 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 430 V C 2.365 178.489 176.094 0.049 0.000 1.055 430 V CA 1.979 64.301 62.300 0.037 0.000 1.038 430 V CB -1.006 30.844 31.823 0.045 0.000 0.651 430 V HN 0.622 nan 8.190 nan 0.000 0.450 431 S N -0.033 115.715 115.700 0.078 0.000 2.370 431 S HA -0.346 4.124 4.470 -0.000 0.000 0.226 431 S C 1.880 176.487 174.600 0.013 0.000 1.033 431 S CA 1.976 60.225 58.200 0.081 0.000 1.011 431 S CB -0.537 62.765 63.200 0.171 0.000 0.852 431 S HN 0.724 nan 8.310 nan 0.000 0.457 432 Q N 0.688 120.487 119.800 -0.001 0.000 2.123 432 Q HA -0.045 4.295 4.340 -0.000 0.000 0.199 432 Q C 1.639 177.627 176.000 -0.020 0.000 0.966 432 Q CA 1.339 57.124 55.803 -0.030 0.000 0.845 432 Q CB -0.202 28.515 28.738 -0.036 0.000 0.907 432 Q HN 0.551 nan 8.270 nan 0.000 0.439 433 D N 0.748 121.145 120.400 -0.006 0.000 2.149 433 D HA -0.113 4.527 4.640 -0.000 0.000 0.201 433 D C 1.449 177.752 176.300 0.006 0.000 0.972 433 D CA 0.957 54.956 54.000 -0.002 0.000 0.835 433 D CB 0.069 40.870 40.800 0.002 0.000 0.966 433 D HN 0.286 nan 8.370 nan 0.000 0.476 434 E N -0.005 120.204 120.200 0.016 0.000 2.107 434 E HA -0.022 4.328 4.350 -0.000 0.000 0.191 434 E C 2.151 178.768 176.600 0.028 0.000 0.982 434 E CA 0.322 56.740 56.400 0.030 0.000 0.809 434 E CB 0.110 29.837 29.700 0.045 0.000 0.756 434 E HN 0.292 nan 8.360 nan 0.000 0.459 435 I N 0.845 121.419 120.570 0.007 0.000 2.676 435 I HA -0.172 3.998 4.170 -0.000 0.000 0.259 435 I C 2.368 178.471 176.117 -0.024 0.000 1.194 435 I CA 0.418 61.713 61.300 -0.008 0.000 1.473 435 I CB -0.136 37.839 38.000 -0.043 0.000 1.096 435 I HN 0.070 nan 8.210 nan 0.000 0.443 436 A N 0.879 123.686 122.820 -0.021 0.000 1.872 436 A HA -0.035 4.285 4.320 -0.000 0.000 0.214 436 A C 2.566 180.142 177.584 -0.013 0.000 1.187 436 A CA 1.466 53.488 52.037 -0.026 0.000 0.614 436 A CB -0.674 18.312 19.000 -0.023 0.000 0.826 436 A HN 0.372 nan 8.150 nan 0.000 0.442 437 A N -0.675 122.148 122.820 0.004 0.000 1.933 437 A HA -0.058 4.262 4.320 -0.000 0.000 0.218 437 A C 2.314 179.919 177.584 0.036 0.000 1.175 437 A CA 2.615 54.663 52.037 0.018 0.000 0.628 437 A CB -0.770 18.245 19.000 0.025 0.000 0.814 437 A HN 0.821 nan 8.150 nan 0.000 0.444 438 T N -6.416 108.170 114.554 0.054 0.000 2.964 438 T HA 0.408 4.758 4.350 -0.000 0.000 0.249 438 T C 1.450 176.191 174.700 0.069 0.000 1.000 438 T CA 1.138 63.312 62.100 0.123 0.000 0.992 438 T CB 0.031 69.019 68.868 0.200 0.000 1.087 438 T HN 1.740 nan 8.240 nan 0.000 0.489 439 G N 0.849 109.627 108.800 -0.036 0.000 2.187 439 G HA2 -0.237 3.722 3.960 -0.000 0.000 0.261 439 G HA3 -0.237 3.722 3.960 -0.000 0.000 0.261 439 G C -0.222 174.469 174.900 -0.348 0.000 1.000 439 G CA 0.278 45.257 45.100 -0.202 0.000 0.718 439 G HN 0.641 nan 8.290 nan 0.000 0.519 440 W N -1.323 119.975 121.300 -0.004 0.000 2.702 440 W HA 0.713 5.373 4.660 -0.000 0.000 0.331 440 W C -0.256 176.272 176.519 0.014 0.000 1.049 440 W CA -1.348 56.002 57.345 0.009 0.000 1.230 440 W CB 1.668 31.136 29.460 0.014 0.000 1.408 440 W HN 0.197 nan 8.180 nan 0.000 0.492 441 L N 3.478 124.907 121.223 0.343 0.000 2.362 441 L HA 0.508 4.848 4.340 -0.000 0.000 0.271 441 L C -0.841 176.173 176.870 0.239 0.000 1.002 441 L CA -0.431 54.539 54.840 0.217 0.000 0.818 441 L CB 1.581 43.716 42.059 0.126 0.000 1.298 441 L HN 0.277 nan 8.230 nan 0.000 0.420 442 D N 1.826 122.337 120.400 0.186 0.000 2.412 442 D HA 0.152 4.792 4.640 -0.000 0.000 0.224 442 D C 1.006 177.415 176.300 0.181 0.000 1.093 442 D CA 0.253 54.364 54.000 0.185 0.000 0.850 442 D CB 1.519 42.423 40.800 0.173 0.000 1.046 442 D HN 0.769 nan 8.370 nan 0.000 0.507 443 T N 0.894 115.560 114.554 0.187 0.000 3.025 443 T HA 0.033 4.383 4.350 -0.000 0.000 0.270 443 T C 1.541 176.335 174.700 0.156 0.000 1.126 443 T CA 0.759 62.964 62.100 0.175 0.000 1.105 443 T CB -0.279 68.723 68.868 0.224 0.000 0.884 443 T HN 0.630 nan 8.240 nan 0.000 0.522 444 G N 1.149 110.035 108.800 0.143 0.000 2.153 444 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.252 444 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.252 444 G C -0.478 174.445 174.900 0.038 0.000 0.994 444 G CA 0.147 45.300 45.100 0.087 0.000 0.698 444 G HN 0.632 nan 8.290 nan 0.000 0.521 445 D N -0.038 120.403 120.400 0.067 0.000 2.192 445 D HA 0.595 5.235 4.640 -0.000 0.000 0.246 445 D C 0.812 177.107 176.300 -0.009 0.000 1.042 445 D CA -0.380 53.653 54.000 0.055 0.000 0.847 445 D CB 1.647 42.529 40.800 0.137 0.000 1.186 445 D HN 0.204 nan 8.370 nan 0.000 0.461 446 L N 0.973 122.193 121.223 -0.005 0.000 2.379 446 L HA 0.748 5.088 4.340 -0.000 0.000 0.269 446 L C 1.088 177.960 176.870 0.005 0.000 1.084 446 L CA -0.211 54.640 54.840 0.018 0.000 0.802 446 L CB 1.458 43.587 42.059 0.117 0.000 1.175 446 L HN 0.529 nan 8.230 nan 0.000 0.448 447 G N 0.493 109.301 108.800 0.013 0.000 2.321 447 G HA2 0.443 4.403 3.960 -0.000 0.000 0.296 447 G HA3 0.443 4.403 3.960 -0.000 0.000 0.296 447 G C -2.222 172.714 174.900 0.061 0.000 1.287 447 G CA -0.453 44.599 45.100 -0.080 0.000 0.846 447 G HN 0.589 nan 8.290 nan 0.000 0.508 448 Y N -2.056 118.201 120.300 -0.073 0.000 2.638 448 Y HA 0.842 5.392 4.550 -0.000 0.000 0.335 448 Y C -1.713 174.224 175.900 0.062 0.000 1.155 448 Y CA -1.696 56.392 58.100 -0.019 0.000 1.046 448 Y CB 1.271 39.695 38.460 -0.061 0.000 1.303 448 Y HN 0.566 nan 8.280 nan 0.000 0.460 449 L N 3.301 124.655 121.223 0.219 0.000 2.317 449 L HA 0.584 4.924 4.340 -0.000 0.000 0.281 449 L C -0.877 176.155 176.870 0.271 0.000 1.024 449 L CA -1.082 53.865 54.840 0.180 0.000 0.810 449 L CB 1.569 43.694 42.059 0.110 0.000 1.240 449 L HN 0.819 nan 8.230 nan 0.000 0.427 450 L N 3.676 125.073 121.223 0.289 0.000 2.504 450 L HA 0.315 4.655 4.340 -0.000 0.000 0.265 450 L C -0.846 176.186 176.870 0.271 0.000 0.975 450 L CA -0.294 54.704 54.840 0.264 0.000 0.864 450 L CB 1.194 43.399 42.059 0.244 0.000 1.212 450 L HN 0.664 nan 8.230 nan 0.000 0.416 451 D N 3.983 124.478 120.400 0.158 0.000 2.723 451 D HA -0.193 4.447 4.640 -0.000 0.000 0.236 451 D C 1.086 177.366 176.300 -0.033 0.000 1.138 451 D CA 1.405 55.469 54.000 0.106 0.000 0.676 451 D CB -0.778 40.135 40.800 0.188 0.000 1.069 451 D HN 1.129 nan 8.370 nan 0.000 0.430 452 G N -1.403 107.366 108.800 -0.052 0.000 2.234 452 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.260 452 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.260 452 G C 0.116 174.864 174.900 -0.252 0.000 0.987 452 G CA 0.471 45.458 45.100 -0.188 0.000 0.625 452 G HN 0.434 nan 8.290 nan 0.000 0.532 453 Y N -0.442 119.907 120.300 0.082 0.000 2.310 453 Y HA 0.650 5.200 4.550 -0.000 0.000 0.326 453 Y C 0.526 176.399 175.900 -0.046 0.000 1.151 453 Y CA -1.120 56.984 58.100 0.007 0.000 1.195 453 Y CB 1.420 39.890 38.460 0.016 0.000 1.210 453 Y HN 0.195 nan 8.280 nan 0.000 0.483 454 L N 4.428 125.626 121.223 -0.042 0.000 2.265 454 L HA 0.364 4.704 4.340 -0.000 0.000 0.288 454 L C -1.667 174.904 176.870 -0.498 0.000 1.058 454 L CA -0.614 54.114 54.840 -0.188 0.000 0.809 454 L CB -0.229 41.732 42.059 -0.163 0.000 1.179 454 L HN 0.428 nan 8.230 nan 0.000 0.429 455 Y N 4.636 124.627 120.300 -0.515 0.000 2.402 455 Y HA 0.464 5.014 4.550 -0.000 0.000 0.332 455 Y C -0.027 175.484 175.900 -0.647 0.000 0.960 455 Y CA -0.740 56.974 58.100 -0.643 0.000 1.228 455 Y CB 1.419 39.220 38.460 -1.099 0.000 1.120 455 Y HN 0.276 nan 8.280 nan 0.000 0.491 456 V N 3.032 122.714 119.914 -0.386 0.000 2.498 456 V HA 0.162 4.282 4.120 -0.000 0.000 0.279 456 V C 0.846 176.781 176.094 -0.265 0.000 1.048 456 V CA 0.273 62.354 62.300 -0.365 0.000 0.967 456 V CB 1.375 32.940 31.823 -0.429 0.000 0.988 456 V HN 0.958 nan 8.190 nan 0.000 0.473 457 T N 0.219 114.631 114.554 -0.236 0.000 2.971 457 T HA 0.555 4.905 4.350 -0.000 0.000 0.252 457 T C 0.633 175.476 174.700 0.240 0.000 1.022 457 T CA 0.489 62.469 62.100 -0.200 0.000 0.980 457 T CB 0.605 69.132 68.868 -0.568 0.000 1.044 457 T HN 1.440 nan 8.240 nan 0.000 0.501 458 G N 0.821 109.755 108.800 0.222 0.000 2.368 458 G HA2 0.318 4.278 3.960 -0.000 0.000 0.302 458 G HA3 0.318 4.278 3.960 -0.000 0.000 0.302 458 G C -1.721 173.269 174.900 0.149 0.000 1.329 458 G CA -1.319 43.928 45.100 0.245 0.000 0.935 458 G HN 0.418 nan 8.290 nan 0.000 0.590 459 R N -0.361 120.200 120.500 0.102 0.000 2.539 459 R HA 0.478 4.818 4.340 -0.000 0.000 0.275 459 R C 1.495 177.780 176.300 -0.026 0.000 1.077 459 R CA -0.396 55.731 56.100 0.045 0.000 1.097 459 R CB 0.945 31.275 30.300 0.050 0.000 1.018 459 R HN 0.450 nan 8.270 nan 0.000 0.483 460 I N 1.646 122.172 120.570 -0.074 0.000 2.252 460 I HA -0.257 3.912 4.170 -0.000 0.000 0.245 460 I C 2.301 178.354 176.117 -0.105 0.000 1.102 460 I CA 1.194 62.410 61.300 -0.140 0.000 1.385 460 I CB -0.302 37.578 38.000 -0.200 0.000 1.064 460 I HN 0.596 nan 8.210 nan 0.000 0.414 461 K N 0.968 121.336 120.400 -0.053 0.000 2.286 461 K HA -0.230 4.089 4.320 -0.000 0.000 0.203 461 K C 1.124 177.698 176.600 -0.044 0.000 1.045 461 K CA 1.805 58.071 56.287 -0.035 0.000 0.935 461 K CB 0.022 32.521 32.500 -0.002 0.000 0.737 461 K HN 0.315 nan 8.250 nan 0.000 0.460 462 D N -0.135 120.235 120.400 -0.050 0.000 2.355 462 D HA -0.014 4.625 4.640 -0.000 0.000 0.206 462 D C -0.047 176.181 176.300 -0.120 0.000 1.010 462 D CA -0.075 53.898 54.000 -0.044 0.000 0.875 462 D CB 0.005 40.807 40.800 0.004 0.000 0.966 462 D HN 0.078 nan 8.370 nan 0.000 0.512 463 L N 1.819 122.908 121.223 -0.223 0.000 2.601 463 L HA -0.015 4.325 4.340 -0.000 0.000 0.277 463 L C -0.078 176.620 176.870 -0.287 0.000 1.219 463 L CA 0.364 54.961 54.840 -0.406 0.000 0.915 463 L CB 0.010 41.762 42.059 -0.511 0.000 1.160 463 L HN -0.050 nan 8.230 nan 0.000 0.494 464 I N 7.229 127.623 120.570 -0.294 0.000 2.347 464 I HA 0.121 4.291 4.170 -0.000 0.000 0.294 464 I C -0.100 175.889 176.117 -0.213 0.000 1.090 464 I CA 0.173 61.350 61.300 -0.205 0.000 1.314 464 I CB -0.068 37.820 38.000 -0.186 0.000 1.423 464 I HN 0.476 nan 8.210 nan 0.000 0.503 465 I N 8.056 128.528 120.570 -0.162 0.000 2.321 465 I HA 0.423 4.593 4.170 -0.000 0.000 0.291 465 I C 0.392 176.449 176.117 -0.100 0.000 0.998 465 I CA -0.297 60.919 61.300 -0.139 0.000 1.227 465 I CB 0.788 38.717 38.000 -0.118 0.000 1.368 465 I HN 0.521 nan 8.210 nan 0.000 0.466 466 I N 2.097 122.611 120.570 -0.093 0.000 3.690 466 I HA 0.580 4.750 4.170 -0.000 0.000 0.280 466 I C -0.225 175.867 176.117 -0.042 0.000 1.145 466 I CA -1.507 59.755 61.300 -0.064 0.000 1.144 466 I CB 1.093 39.055 38.000 -0.064 0.000 1.378 466 I HN 0.319 nan 8.210 nan 0.000 0.478 467 R N 1.257 121.745 120.500 -0.020 0.000 2.474 467 R HA 0.276 4.616 4.340 -0.000 0.000 0.339 467 R C 0.792 177.104 176.300 0.020 0.000 1.033 467 R CA 1.122 57.225 56.100 0.004 0.000 0.997 467 R CB -0.314 29.996 30.300 0.018 0.000 0.963 467 R HN 1.025 nan 8.270 nan 0.000 0.438 468 G N 2.535 111.346 108.800 0.019 0.000 2.184 468 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.264 468 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.264 468 G C -0.233 174.682 174.900 0.025 0.000 0.975 468 G CA 0.762 45.895 45.100 0.056 0.000 0.642 468 G HN 0.607 nan 8.290 nan 0.000 0.536 469 R N -1.084 119.361 120.500 -0.091 0.000 2.668 469 R HA 0.674 5.014 4.340 -0.000 0.000 0.272 469 R C -0.954 175.233 176.300 -0.189 0.000 1.019 469 R CA -1.062 54.890 56.100 -0.247 0.000 0.894 469 R CB 0.571 30.422 30.300 -0.748 0.000 1.228 469 R HN 0.033 nan 8.270 nan 0.000 0.460 470 N N 2.279 120.879 118.700 -0.167 0.000 2.443 470 N HA 0.480 5.220 4.740 -0.000 0.000 0.295 470 N C -0.640 174.778 175.510 -0.153 0.000 1.076 470 N CA -0.407 52.508 53.050 -0.225 0.000 0.919 470 N CB 1.688 39.963 38.487 -0.353 0.000 1.176 470 N HN 0.523 nan 8.380 nan 0.000 0.487 471 I N 0.682 121.133 120.570 -0.198 0.000 2.465 471 I HA 0.292 4.462 4.170 -0.000 0.000 0.291 471 I C -0.239 175.839 176.117 -0.065 0.000 1.014 471 I CA -0.799 60.487 61.300 -0.022 0.000 1.093 471 I CB 2.002 39.934 38.000 -0.113 0.000 1.267 471 I HN 0.256 nan 8.210 nan 0.000 0.431 472 W N 7.031 128.335 121.300 0.007 0.000 2.345 472 W HA 0.208 4.868 4.660 -0.000 0.000 0.308 472 W C -1.775 174.741 176.519 -0.005 0.000 1.273 472 W CA -1.290 56.075 57.345 0.035 0.000 1.243 472 W CB 1.143 30.676 29.460 0.122 0.000 1.260 472 W HN 0.359 nan 8.180 nan 0.000 0.509 473 P HA -0.300 nan 4.420 nan 0.000 0.216 473 P C 1.885 179.237 177.300 0.087 0.000 1.153 473 P CA 2.215 65.334 63.100 0.032 0.000 0.858 473 P CB 0.106 31.828 31.700 0.035 0.000 0.789 474 Q N -0.219 119.685 119.800 0.174 0.000 2.181 474 Q HA -0.215 4.125 4.340 -0.000 0.000 0.205 474 Q C 1.109 177.228 176.000 0.197 0.000 0.980 474 Q CA 1.769 57.683 55.803 0.184 0.000 0.862 474 Q CB -1.443 27.422 28.738 0.211 0.000 0.905 474 Q HN 0.251 nan 8.270 nan 0.000 0.429 475 D N 0.837 121.357 120.400 0.199 0.000 2.263 475 D HA 0.010 4.650 4.640 -0.000 0.000 0.208 475 D C 1.959 178.418 176.300 0.266 0.000 0.971 475 D CA 0.763 54.907 54.000 0.240 0.000 0.867 475 D CB -0.016 40.979 40.800 0.325 0.000 0.929 475 D HN 0.361 nan 8.370 nan 0.000 0.492 476 I N 0.471 121.057 120.570 0.028 0.000 2.429 476 I HA -0.119 4.051 4.170 -0.000 0.000 0.247 476 I C 2.002 178.155 176.117 0.060 0.000 1.099 476 I CA 0.516 61.769 61.300 -0.078 0.000 1.422 476 I CB 0.050 37.867 38.000 -0.305 0.000 1.112 476 I HN -0.136 nan 8.210 nan 0.000 0.430 477 E N 0.314 120.553 120.200 0.065 0.000 2.160 477 E HA -0.297 4.053 4.350 -0.000 0.000 0.195 477 E C 1.938 178.613 176.600 0.126 0.000 0.991 477 E CA 1.463 57.907 56.400 0.074 0.000 0.810 477 E CB -0.289 29.458 29.700 0.078 0.000 0.742 477 E HN 0.487 nan 8.360 nan 0.000 0.466 478 Y N 1.481 121.822 120.300 0.069 0.000 2.114 478 Y HA -0.287 4.263 4.550 -0.000 0.000 0.282 478 Y C 1.975 177.916 175.900 0.069 0.000 1.165 478 Y CA 1.684 59.831 58.100 0.078 0.000 1.148 478 Y CB -0.184 38.333 38.460 0.096 0.000 0.972 478 Y HN -0.039 nan 8.280 nan 0.000 0.504 479 I N 0.176 120.879 120.570 0.222 0.000 2.194 479 I HA -0.418 3.752 4.170 -0.000 0.000 0.246 479 I C 2.667 178.771 176.117 -0.021 0.000 1.093 479 I CA 1.385 62.749 61.300 0.106 0.000 1.355 479 I CB -0.799 37.308 38.000 0.178 0.000 1.046 479 I HN 0.429 nan 8.210 nan 0.000 0.413 480 A N 0.606 123.419 122.820 -0.012 0.000 1.873 480 A HA -0.209 4.111 4.320 -0.000 0.000 0.215 480 A C 2.062 179.594 177.584 -0.088 0.000 1.186 480 A CA 1.559 53.571 52.037 -0.042 0.000 0.616 480 A CB -0.599 18.384 19.000 -0.029 0.000 0.823 480 A HN 0.496 nan 8.150 nan 0.000 0.442 481 E N -0.156 119.977 120.200 -0.111 0.000 2.515 481 E HA -0.129 4.221 4.350 -0.000 0.000 0.201 481 E C 1.744 178.228 176.600 -0.193 0.000 1.071 481 E CA 0.415 56.733 56.400 -0.137 0.000 0.880 481 E CB -0.028 29.616 29.700 -0.092 0.000 0.828 481 E HN 0.486 nan 8.360 nan 0.000 0.540 482 Q N 0.755 120.418 119.800 -0.228 0.000 2.123 482 Q HA -0.041 4.299 4.340 -0.000 0.000 0.199 482 Q C 0.527 176.457 176.000 -0.115 0.000 0.966 482 Q CA 0.878 56.562 55.803 -0.198 0.000 0.845 482 Q CB 0.020 28.650 28.738 -0.179 0.000 0.907 482 Q HN 0.281 nan 8.270 nan 0.000 0.439 483 E N 0.755 120.893 120.200 -0.103 0.000 2.436 483 E HA -0.045 4.305 4.350 -0.000 0.000 0.262 483 E C -1.592 174.939 176.600 -0.114 0.000 1.063 483 E CA -1.357 54.990 56.400 -0.087 0.000 0.944 483 E CB -0.094 29.558 29.700 -0.080 0.000 0.950 483 E HN 0.022 nan 8.360 nan 0.000 0.444 484 P HA -0.094 nan 4.420 nan 0.000 0.216 484 P C 0.686 177.877 177.300 -0.180 0.000 1.153 484 P CA 1.077 64.125 63.100 -0.087 0.000 0.844 484 P CB 0.291 31.970 31.700 -0.035 0.000 0.787 485 E N -0.581 119.526 120.200 -0.156 0.000 2.267 485 E HA -0.090 4.260 4.350 -0.000 0.000 0.197 485 E C 0.599 176.979 176.600 -0.367 0.000 0.998 485 E CA 0.740 57.032 56.400 -0.181 0.000 0.830 485 E CB -0.522 29.119 29.700 -0.098 0.000 0.751 485 E HN 0.331 nan 8.360 nan 0.000 0.491 486 I N 0.918 121.231 120.570 -0.427 0.000 2.441 486 I HA 0.290 4.460 4.170 -0.000 0.000 0.295 486 I C 0.043 175.843 176.117 -0.529 0.000 0.994 486 I CA -0.802 60.261 61.300 -0.395 0.000 1.144 486 I CB 1.232 39.123 38.000 -0.183 0.000 1.314 486 I HN 0.015 nan 8.210 nan 0.000 0.445 487 H N 2.728 121.792 119.070 -0.010 0.000 2.834 487 H HA 0.340 4.896 4.556 -0.000 0.000 0.369 487 H C -0.456 174.884 175.328 0.020 0.000 1.174 487 H CA -1.033 55.021 56.048 0.010 0.000 1.165 487 H CB 1.910 31.679 29.762 0.013 0.000 1.820 487 H HN 0.428 nan 8.280 nan 0.000 0.558 488 S N 0.441 116.260 115.700 0.199 0.000 2.885 488 S HA 0.164 4.634 4.470 -0.000 0.000 0.334 488 S C 1.297 175.956 174.600 0.098 0.000 1.224 488 S CA 1.165 59.458 58.200 0.155 0.000 1.080 488 S CB -0.321 63.005 63.200 0.210 0.000 0.801 488 S HN 0.973 nan 8.310 nan 0.000 0.510 489 G N 3.553 112.397 108.800 0.074 0.000 2.176 489 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.232 489 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.232 489 G C 0.362 175.269 174.900 0.012 0.000 0.986 489 G CA 0.199 45.318 45.100 0.032 0.000 0.643 489 G HN 0.644 nan 8.290 nan 0.000 0.522 490 D N 0.514 120.925 120.400 0.019 0.000 2.305 490 D HA 0.438 5.078 4.640 -0.000 0.000 0.206 490 D C 1.478 177.779 176.300 0.001 0.000 0.974 490 D CA 1.285 55.283 54.000 -0.003 0.000 0.871 490 D CB 0.246 41.039 40.800 -0.012 0.000 0.947 490 D HN 0.876 nan 8.370 nan 0.000 0.516 491 A N 0.393 123.220 122.820 0.013 0.000 2.337 491 A HA 0.710 5.029 4.320 -0.000 0.000 0.329 491 A C -0.611 176.990 177.584 0.029 0.000 1.146 491 A CA -0.451 51.592 52.037 0.010 0.000 0.800 491 A CB 1.150 20.148 19.000 -0.004 0.000 1.220 491 A HN 0.051 nan 8.150 nan 0.000 0.472 492 I N 1.250 121.835 120.570 0.025 0.000 2.534 492 I HA 0.566 4.736 4.170 -0.000 0.000 0.288 492 I C 0.033 176.146 176.117 -0.007 0.000 1.077 492 I CA -0.344 60.991 61.300 0.059 0.000 1.051 492 I CB 2.231 40.307 38.000 0.127 0.000 1.234 492 I HN 0.743 nan 8.210 nan 0.000 0.425 493 A N 6.745 129.553 122.820 -0.019 0.000 2.343 493 A HA 0.931 5.251 4.320 -0.000 0.000 0.316 493 A C -1.014 176.525 177.584 -0.075 0.000 1.104 493 A CA -0.352 51.578 52.037 -0.177 0.000 0.768 493 A CB 0.749 19.645 19.000 -0.173 0.000 1.213 493 A HN 0.626 nan 8.150 nan 0.000 0.456 494 F N 0.559 120.426 119.950 -0.139 0.000 2.692 494 F HA 0.827 5.354 4.527 -0.000 0.000 0.320 494 F C -0.840 174.855 175.800 -0.175 0.000 1.123 494 F CA -1.466 56.449 58.000 -0.142 0.000 0.961 494 F CB 1.390 40.317 39.000 -0.122 0.000 1.383 494 F HN 0.479 nan 8.300 nan 0.000 0.483 495 V N 0.729 120.715 119.914 0.121 0.000 2.555 495 V HA 0.563 4.683 4.120 -0.000 0.000 0.302 495 V C -0.428 175.716 176.094 0.083 0.000 1.038 495 V CA -0.132 62.169 62.300 0.002 0.000 0.887 495 V CB 1.812 33.599 31.823 -0.059 0.000 0.991 495 V HN 1.035 nan 8.190 nan 0.000 0.434 496 T N 4.931 119.496 114.554 0.019 0.000 2.849 496 T HA 0.463 4.813 4.350 -0.000 0.000 0.284 496 T C 1.366 176.045 174.700 -0.035 0.000 1.004 496 T CA 0.425 62.537 62.100 0.020 0.000 1.021 496 T CB 1.514 70.370 68.868 -0.019 0.000 1.013 496 T HN 1.115 nan 8.240 nan 0.000 0.527 497 A N 2.147 124.932 122.820 -0.057 0.000 1.884 497 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 497 A C 1.827 179.367 177.584 -0.074 0.000 1.197 497 A CA 1.771 53.768 52.037 -0.067 0.000 0.637 497 A CB -0.771 18.184 19.000 -0.075 0.000 0.827 497 A HN 0.831 nan 8.150 nan 0.000 0.450 498 Q N -0.177 119.552 119.800 -0.119 0.000 2.344 498 Q HA 0.210 4.550 4.340 -0.000 0.000 0.212 498 Q C -0.169 175.797 176.000 -0.057 0.000 0.943 498 Q CA 0.568 56.321 55.803 -0.083 0.000 0.955 498 Q CB -0.442 28.232 28.738 -0.107 0.000 1.000 498 Q HN 0.710 nan 8.270 nan 0.000 0.488 499 E N 0.178 120.344 120.200 -0.057 0.000 2.476 499 E HA -0.195 4.155 4.350 -0.000 0.000 0.251 499 E C -0.801 175.762 176.600 -0.061 0.000 1.130 499 E CA 0.353 56.721 56.400 -0.053 0.000 0.736 499 E CB -0.541 29.136 29.700 -0.039 0.000 1.298 499 E HN 0.255 nan 8.360 nan 0.000 0.400 500 K N 0.660 121.016 120.400 -0.073 0.000 2.183 500 K HA 0.403 4.723 4.320 -0.000 0.000 0.274 500 K C 0.425 176.936 176.600 -0.148 0.000 1.009 500 K CA -0.535 55.700 56.287 -0.086 0.000 0.888 500 K CB 1.181 33.646 32.500 -0.058 0.000 1.078 500 K HN 0.140 nan 8.250 nan 0.000 0.459 501 I N 4.213 124.680 120.570 -0.171 0.000 2.395 501 I HA 0.214 4.384 4.170 -0.000 0.000 0.289 501 I C 0.060 175.958 176.117 -0.365 0.000 1.023 501 I CA -0.741 60.405 61.300 -0.256 0.000 1.350 501 I CB 0.559 38.429 38.000 -0.217 0.000 1.409 501 I HN 0.309 nan 8.210 nan 0.000 0.507 502 I N 6.794 126.991 120.570 -0.621 0.000 2.545 502 I HA 0.288 4.458 4.170 -0.000 0.000 0.292 502 I C -0.666 174.996 176.117 -0.757 0.000 1.040 502 I CA -0.455 60.383 61.300 -0.771 0.000 1.068 502 I CB 1.946 39.214 38.000 -1.219 0.000 1.251 502 I HN 0.300 nan 8.210 nan 0.000 0.424 503 L N 6.429 127.386 121.223 -0.444 0.000 2.324 503 L HA 0.487 4.827 4.340 -0.000 0.000 0.274 503 L C -0.612 176.143 176.870 -0.191 0.000 1.012 503 L CA -0.033 54.629 54.840 -0.296 0.000 0.859 503 L CB 0.652 42.601 42.059 -0.185 0.000 1.224 503 L HN 0.550 nan 8.230 nan 0.000 0.429 504 Q N 5.181 124.892 119.800 -0.149 0.000 2.256 504 Q HA 0.543 4.883 4.340 -0.000 0.000 0.254 504 Q C -0.996 175.008 176.000 0.006 0.000 0.916 504 Q CA -0.153 55.644 55.803 -0.010 0.000 0.932 504 Q CB 2.208 31.015 28.738 0.116 0.000 1.207 504 Q HN 0.595 nan 8.270 nan 0.000 0.426 505 I N 3.434 124.009 120.570 0.009 0.000 2.448 505 I HA 0.107 4.277 4.170 -0.000 0.000 0.281 505 I C -0.241 175.879 176.117 0.005 0.000 1.027 505 I CA -0.679 60.621 61.300 -0.001 0.000 1.111 505 I CB 1.571 39.561 38.000 -0.017 0.000 1.236 505 I HN 0.536 nan 8.210 nan 0.000 0.452 506 Q N 6.390 126.191 119.800 0.002 0.000 2.295 506 Q HA 0.552 4.892 4.340 -0.000 0.000 0.259 506 Q C -0.668 175.316 176.000 -0.027 0.000 0.976 506 Q CA -0.532 55.266 55.803 -0.008 0.000 0.923 506 Q CB 1.577 30.305 28.738 -0.018 0.000 1.185 506 Q HN 0.746 nan 8.270 nan 0.000 0.410 507 C N 1.097 120.385 119.300 -0.019 0.000 3.285 507 C HA 0.754 5.214 4.460 -0.000 0.000 0.325 507 C C -0.800 174.184 174.990 -0.009 0.000 1.304 507 C CA -1.262 57.741 59.018 -0.024 0.000 1.319 507 C CB 1.713 29.435 27.740 -0.030 0.000 1.640 507 C HN 1.157 nan 8.230 nan 0.000 0.477 508 R N 1.654 122.151 120.500 -0.005 0.000 2.346 508 R HA 0.771 5.111 4.340 -0.000 0.000 0.309 508 R C -1.427 174.875 176.300 0.004 0.000 1.119 508 R CA -0.378 55.726 56.100 0.007 0.000 1.112 508 R CB 0.090 30.399 30.300 0.016 0.000 1.132 508 R HN 0.834 nan 8.270 nan 0.000 0.538 509 I N 2.801 123.374 120.570 0.004 0.000 2.468 509 I HA 0.193 4.363 4.170 -0.000 0.000 0.284 509 I C 0.131 176.252 176.117 0.007 0.000 1.038 509 I CA -0.679 60.622 61.300 0.003 0.000 1.083 509 I CB 2.319 40.318 38.000 -0.002 0.000 1.223 509 I HN 0.578 nan 8.210 nan 0.000 0.443 510 S N 1.885 117.590 115.700 0.008 0.000 2.502 510 S HA 0.001 4.471 4.470 -0.000 0.000 0.215 510 S C 0.636 175.241 174.600 0.008 0.000 1.009 510 S CA 0.027 58.233 58.200 0.009 0.000 0.908 510 S CB 0.014 63.220 63.200 0.010 0.000 0.801 510 S HN 0.674 nan 8.310 nan 0.000 0.505 511 D N 2.177 122.580 120.400 0.006 0.000 2.349 511 D HA 0.004 4.644 4.640 -0.000 0.000 0.266 511 D C 0.895 177.198 176.300 0.005 0.000 1.293 511 D CA 0.205 54.208 54.000 0.005 0.000 0.926 511 D CB 0.983 41.785 40.800 0.003 0.000 1.090 511 D HN 0.073 nan 8.370 nan 0.000 0.502 512 E N 3.292 123.495 120.200 0.005 0.000 2.265 512 E HA -0.179 4.171 4.350 -0.000 0.000 0.196 512 E C 1.492 178.095 176.600 0.005 0.000 0.996 512 E CA 1.037 57.440 56.400 0.006 0.000 0.832 512 E CB 0.110 29.813 29.700 0.006 0.000 0.756 512 E HN 0.666 nan 8.360 nan 0.000 0.491 513 E N -0.416 119.786 120.200 0.002 0.000 2.046 513 E HA -0.209 4.141 4.350 -0.000 0.000 0.190 513 E C 2.050 178.651 176.600 0.002 0.000 0.982 513 E CA 0.834 57.234 56.400 -0.001 0.000 0.800 513 E CB -0.024 29.675 29.700 -0.003 0.000 0.756 513 E HN 0.003 nan 8.360 nan 0.000 0.449 514 R N 1.181 121.682 120.500 0.003 0.000 2.081 514 R HA -0.098 4.242 4.340 -0.000 0.000 0.235 514 R C 2.188 178.493 176.300 0.008 0.000 1.131 514 R CA 1.689 57.792 56.100 0.004 0.000 0.960 514 R CB -0.306 29.994 30.300 0.001 0.000 0.856 514 R HN 0.096 nan 8.270 nan 0.000 0.436 515 R N -0.910 119.595 120.500 0.009 0.000 2.103 515 R HA -0.101 4.239 4.340 -0.000 0.000 0.242 515 R C 2.330 178.643 176.300 0.021 0.000 1.142 515 R CA 1.596 57.704 56.100 0.013 0.000 0.960 515 R CB -0.781 29.527 30.300 0.013 0.000 0.858 515 R HN 0.479 nan 8.270 nan 0.000 0.439 516 G N 0.777 109.588 108.800 0.020 0.000 2.394 516 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.214 516 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.214 516 G C 1.319 176.245 174.900 0.044 0.000 1.176 516 G CA 0.540 45.656 45.100 0.026 0.000 0.786 516 G HN 0.406 nan 8.290 nan 0.000 0.533 517 Q N -0.073 119.744 119.800 0.029 0.000 2.224 517 Q HA 0.025 4.365 4.340 -0.000 0.000 0.203 517 Q C 2.378 178.422 176.000 0.073 0.000 0.970 517 Q CA 1.025 56.855 55.803 0.045 0.000 0.865 517 Q CB -0.187 28.561 28.738 0.018 0.000 0.922 517 Q HN 0.489 nan 8.270 nan 0.000 0.445 518 L N 0.368 121.619 121.223 0.045 0.000 2.044 518 L HA -0.092 4.248 4.340 -0.000 0.000 0.205 518 L C 2.357 179.250 176.870 0.038 0.000 1.075 518 L CA 0.946 55.805 54.840 0.032 0.000 0.747 518 L CB -0.172 41.893 42.059 0.010 0.000 0.903 518 L HN 0.240 nan 8.230 nan 0.000 0.435 519 I N -0.593 120.004 120.570 0.045 0.000 2.127 519 I HA -0.395 3.775 4.170 -0.000 0.000 0.241 519 I C 2.537 178.686 176.117 0.054 0.000 1.075 519 I CA 1.913 63.237 61.300 0.040 0.000 1.334 519 I CB -0.555 37.473 38.000 0.047 0.000 1.040 519 I HN 0.436 nan 8.210 nan 0.000 0.405 520 H N 0.861 119.932 119.070 0.002 0.000 2.321 520 H HA -0.147 4.409 4.556 -0.000 0.000 0.300 520 H C 2.187 177.518 175.328 0.006 0.000 1.087 520 H CA 1.929 57.980 56.048 0.005 0.000 1.319 520 H CB -0.029 29.737 29.762 0.005 0.000 1.379 520 H HN 0.312 nan 8.280 nan 0.000 0.501 521 A N 0.479 123.363 122.820 0.105 0.000 1.865 521 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 521 A C 2.355 179.927 177.584 -0.019 0.000 1.191 521 A CA 1.726 53.791 52.037 0.047 0.000 0.623 521 A CB -0.949 18.090 19.000 0.065 0.000 0.826 521 A HN 0.433 nan 8.150 nan 0.000 0.444 522 L N -0.403 120.813 121.223 -0.012 0.000 2.017 522 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 522 L C 2.945 179.795 176.870 -0.034 0.000 1.073 522 L CA 1.972 56.803 54.840 -0.015 0.000 0.745 522 L CB -1.093 40.958 42.059 -0.014 0.000 0.894 522 L HN 0.409 nan 8.230 nan 0.000 0.432 523 A N -0.899 121.880 122.820 -0.068 0.000 1.917 523 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 523 A C 2.445 179.972 177.584 -0.095 0.000 1.182 523 A CA 2.059 54.044 52.037 -0.086 0.000 0.633 523 A CB -0.978 17.953 19.000 -0.114 0.000 0.819 523 A HN 0.472 nan 8.150 nan 0.000 0.448 524 A N -0.743 121.988 122.820 -0.149 0.000 1.898 524 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 524 A C 2.250 179.814 177.584 -0.033 0.000 1.181 524 A CA 1.650 53.615 52.037 -0.119 0.000 0.620 524 A CB -0.432 18.473 19.000 -0.159 0.000 0.819 524 A HN 0.529 nan 8.150 nan 0.000 0.442 525 R N -0.485 120.009 120.500 -0.009 0.000 2.092 525 R HA 0.009 4.349 4.340 -0.000 0.000 0.231 525 R C 1.877 178.226 176.300 0.082 0.000 1.119 525 R CA 1.305 57.425 56.100 0.032 0.000 0.970 525 R CB -0.347 29.977 30.300 0.041 0.000 0.864 525 R HN 0.566 nan 8.270 nan 0.000 0.440 526 I N 0.553 121.178 120.570 0.092 0.000 2.226 526 I HA -0.303 3.867 4.170 -0.000 0.000 0.245 526 I C 2.282 178.503 176.117 0.173 0.000 1.100 526 I CA 1.409 62.815 61.300 0.177 0.000 1.374 526 I CB -0.188 37.856 38.000 0.074 0.000 1.057 526 I HN 0.298 nan 8.210 nan 0.000 0.413 527 Q N -0.372 119.473 119.800 0.075 0.000 2.170 527 Q HA -0.200 4.140 4.340 -0.000 0.000 0.203 527 Q C 2.387 178.423 176.000 0.060 0.000 0.976 527 Q CA 1.850 57.688 55.803 0.059 0.000 0.858 527 Q CB -0.080 28.665 28.738 0.012 0.000 0.907 527 Q HN 0.448 nan 8.270 nan 0.000 0.433 528 S N 0.140 115.866 115.700 0.043 0.000 2.371 528 S HA -0.093 4.377 4.470 -0.000 0.000 0.221 528 S C 1.670 176.260 174.600 -0.017 0.000 1.036 528 S CA 0.637 58.845 58.200 0.014 0.000 0.965 528 S CB 0.088 63.290 63.200 0.005 0.000 0.845 528 S HN 0.232 nan 8.310 nan 0.000 0.475 529 E N -0.229 119.952 120.200 -0.032 0.000 2.285 529 E HA 0.064 4.414 4.350 -0.000 0.000 0.194 529 E C 0.761 177.074 176.600 -0.479 0.000 0.997 529 E CA 0.738 56.992 56.400 -0.244 0.000 0.845 529 E CB -0.071 29.464 29.700 -0.274 0.000 0.782 529 E HN 0.690 nan 8.360 nan 0.000 0.491 530 F N -1.206 118.759 119.950 0.025 0.000 2.834 530 F HA 0.271 4.798 4.527 -0.000 0.000 0.332 530 F C 1.398 177.219 175.800 0.035 0.000 1.056 530 F CA 0.279 58.298 58.000 0.031 0.000 1.178 530 F CB 0.920 39.930 39.000 0.017 0.000 1.037 530 F HN 0.020 nan 8.300 nan 0.000 0.580 531 G N 1.853 110.755 108.800 0.170 0.000 2.198 531 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.260 531 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.260 531 G C -0.339 174.626 174.900 0.107 0.000 1.025 531 G CA 0.360 45.529 45.100 0.114 0.000 0.769 531 G HN 0.211 nan 8.290 nan 0.000 0.507 532 V N 0.448 120.432 119.914 0.117 0.000 2.680 532 V HA 0.818 4.938 4.120 -0.000 0.000 0.309 532 V C 0.535 176.641 176.094 0.021 0.000 1.052 532 V CA 0.010 62.343 62.300 0.056 0.000 0.908 532 V CB 2.204 34.046 31.823 0.031 0.000 1.001 532 V HN 0.829 nan 8.190 nan 0.000 0.431 533 T N 2.231 116.779 114.554 -0.009 0.000 2.771 533 T HA 0.824 5.174 4.350 -0.000 0.000 0.281 533 T C -0.376 174.288 174.700 -0.060 0.000 0.982 533 T CA -0.283 61.801 62.100 -0.027 0.000 0.978 533 T CB 1.384 70.241 68.868 -0.018 0.000 0.930 533 T HN 1.050 nan 8.240 nan 0.000 0.447 534 A N 3.228 126.003 122.820 -0.077 0.000 2.330 534 A HA 0.841 5.161 4.320 -0.000 0.000 0.327 534 A C 0.489 178.011 177.584 -0.103 0.000 1.155 534 A CA -0.855 51.109 52.037 -0.120 0.000 0.803 534 A CB 0.779 19.689 19.000 -0.150 0.000 1.208 534 A HN 1.456 nan 8.150 nan 0.000 0.477 535 A N 3.252 126.000 122.820 -0.121 0.000 2.444 535 A HA 0.506 4.826 4.320 -0.000 0.000 0.273 535 A C 0.080 177.606 177.584 -0.096 0.000 1.136 535 A CA -0.128 51.861 52.037 -0.079 0.000 0.799 535 A CB -0.418 18.549 19.000 -0.055 0.000 1.081 535 A HN 0.635 nan 8.150 nan 0.000 0.509 536 I N 3.254 123.792 120.570 -0.053 0.000 2.301 536 I HA 0.171 4.341 4.170 -0.000 0.000 0.292 536 I C -0.190 175.921 176.117 -0.011 0.000 1.046 536 I CA 0.053 61.325 61.300 -0.046 0.000 1.282 536 I CB 0.719 38.701 38.000 -0.030 0.000 1.409 536 I HN 0.540 nan 8.210 nan 0.000 0.484 537 D N 6.844 127.238 120.400 -0.011 0.000 2.454 537 D HA 0.234 4.874 4.640 -0.000 0.000 0.225 537 D C -0.525 175.793 176.300 0.031 0.000 1.081 537 D CA -0.608 53.413 54.000 0.035 0.000 0.864 537 D CB 1.859 42.706 40.800 0.078 0.000 1.040 537 D HN 0.151 nan 8.370 nan 0.000 0.517 538 L N 4.340 125.581 121.223 0.030 0.000 2.385 538 L HA 0.255 4.595 4.340 -0.000 0.000 0.281 538 L C 0.261 177.152 176.870 0.035 0.000 1.106 538 L CA 0.164 55.019 54.840 0.024 0.000 0.856 538 L CB 0.343 42.413 42.059 0.018 0.000 1.186 538 L HN 0.194 nan 8.230 nan 0.000 0.453 539 L N 5.119 126.364 121.223 0.036 0.000 2.332 539 L HA 0.608 4.948 4.340 -0.000 0.000 0.269 539 L C -2.067 174.822 176.870 0.032 0.000 1.016 539 L CA -2.144 52.722 54.840 0.043 0.000 0.809 539 L CB 1.191 43.284 42.059 0.058 0.000 1.280 539 L HN 0.348 nan 8.230 nan 0.000 0.447 540 P HA 0.167 nan 4.420 nan 0.000 0.272 540 P C -2.533 174.787 177.300 0.033 0.000 1.230 540 P CA -1.132 61.990 63.100 0.037 0.000 0.788 540 P CB -0.234 31.494 31.700 0.047 0.000 0.949 541 P HA -0.030 nan 4.420 nan 0.000 0.266 541 P C -0.397 176.941 177.300 0.063 0.000 1.193 541 P CA 0.630 63.724 63.100 -0.008 0.000 0.770 541 P CB -0.304 31.412 31.700 0.027 0.000 0.836 542 H N -0.810 118.272 119.070 0.020 0.000 2.776 542 H HA -0.158 4.398 4.556 -0.000 0.000 0.300 542 H C 1.079 176.423 175.328 0.025 0.000 1.161 542 H CA 0.866 56.926 56.048 0.019 0.000 1.147 542 H CB -2.106 27.664 29.762 0.014 0.000 1.366 542 H HN 0.259 nan 8.280 nan 0.000 0.397 543 S N -0.609 115.147 115.700 0.093 0.000 2.395 543 S HA 0.072 4.542 4.470 -0.000 0.000 0.225 543 S C 0.849 175.496 174.600 0.077 0.000 1.027 543 S CA 0.867 59.116 58.200 0.082 0.000 0.965 543 S CB 0.357 63.597 63.200 0.068 0.000 0.812 543 S HN 0.371 nan 8.310 nan 0.000 0.482 544 I N 2.619 123.231 120.570 0.069 0.000 2.448 544 I HA 0.467 4.637 4.170 -0.000 0.000 0.281 544 I C -2.938 173.217 176.117 0.064 0.000 1.027 544 I CA -2.822 58.519 61.300 0.067 0.000 1.111 544 I CB 1.302 39.344 38.000 0.070 0.000 1.236 544 I HN -0.130 nan 8.210 nan 0.000 0.452 545 P HA 0.456 nan 4.420 nan 0.000 0.278 545 P C -0.750 176.592 177.300 0.070 0.000 1.266 545 P CA -0.675 62.478 63.100 0.087 0.000 0.807 545 P CB 0.658 32.421 31.700 0.104 0.000 1.094 546 R N -0.277 120.267 120.500 0.074 0.000 2.738 546 R HA 0.266 4.606 4.340 -0.000 0.000 0.268 546 R C 0.858 177.209 176.300 0.085 0.000 1.062 546 R CA -0.018 56.127 56.100 0.076 0.000 1.158 546 R CB -0.090 30.262 30.300 0.086 0.000 1.046 546 R HN 0.584 nan 8.270 nan 0.000 0.493 547 T N -1.456 113.143 114.554 0.075 0.000 2.689 547 T HA 0.002 4.352 4.350 -0.000 0.000 0.308 547 T C 1.401 176.158 174.700 0.095 0.000 1.021 547 T CA -0.472 61.669 62.100 0.068 0.000 0.973 547 T CB 0.537 69.436 68.868 0.051 0.000 1.113 547 T HN 0.443 nan 8.240 nan 0.000 0.522 548 S N 0.861 116.611 115.700 0.083 0.000 2.383 548 S HA -0.109 4.361 4.470 -0.000 0.000 0.229 548 S C 2.127 176.825 174.600 0.164 0.000 1.030 548 S CA 1.424 59.697 58.200 0.122 0.000 1.002 548 S CB -0.660 62.592 63.200 0.086 0.000 0.829 548 S HN 0.909 nan 8.310 nan 0.000 0.467 549 S N -0.017 115.694 115.700 0.019 0.000 2.575 549 S HA 0.468 4.938 4.470 -0.000 0.000 0.215 549 S C 1.275 175.579 174.600 -0.492 0.000 0.966 549 S CA 0.323 58.395 58.200 -0.214 0.000 0.911 549 S CB 0.303 63.446 63.200 -0.096 0.000 0.780 549 S HN 0.761 nan 8.310 nan 0.000 0.514 550 G N 1.471 110.184 108.800 -0.146 0.000 2.132 550 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.228 550 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.228 550 G C -0.245 174.694 174.900 0.066 0.000 1.000 550 G CA -0.276 44.838 45.100 0.024 0.000 0.693 550 G HN 0.445 nan 8.290 nan 0.000 0.515 551 K N 0.240 120.666 120.400 0.043 0.000 2.123 551 K HA 0.512 4.832 4.320 -0.000 0.000 0.259 551 K C -2.722 173.919 176.600 0.068 0.000 0.960 551 K CA -2.401 53.926 56.287 0.067 0.000 0.872 551 K CB 1.398 33.932 32.500 0.057 0.000 1.079 551 K HN -0.042 nan 8.250 nan 0.000 0.440 552 P HA -0.061 nan 4.420 nan 0.000 0.260 552 P C -0.567 176.771 177.300 0.064 0.000 1.185 552 P CA 0.248 63.388 63.100 0.067 0.000 0.763 552 P CB 0.193 31.941 31.700 0.079 0.000 0.776 553 A N 4.886 127.739 122.820 0.055 0.000 3.063 553 A HA 0.068 4.388 4.320 -0.000 0.000 0.263 553 A C 1.502 179.105 177.584 0.031 0.000 1.736 553 A CA -0.167 51.895 52.037 0.041 0.000 1.408 553 A CB -0.755 18.266 19.000 0.036 0.000 1.108 553 A HN 0.452 nan 8.150 nan 0.000 0.621 554 R N 0.904 121.431 120.500 0.045 0.000 2.066 554 R HA -0.113 4.227 4.340 -0.000 0.000 0.232 554 R C 2.368 178.639 176.300 -0.047 0.000 1.131 554 R CA 1.475 57.606 56.100 0.053 0.000 0.955 554 R CB -0.259 30.096 30.300 0.090 0.000 0.851 554 R HN 0.618 nan 8.270 nan 0.000 0.432 555 A N 1.106 123.905 122.820 -0.036 0.000 1.972 555 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 555 A C 2.000 179.517 177.584 -0.111 0.000 1.169 555 A CA 1.563 53.557 52.037 -0.072 0.000 0.635 555 A CB -0.320 18.664 19.000 -0.027 0.000 0.810 555 A HN 0.350 nan 8.150 nan 0.000 0.446 556 E N -0.535 119.621 120.200 -0.074 0.000 2.152 556 E HA 0.041 4.391 4.350 -0.000 0.000 0.192 556 E C 2.125 178.652 176.600 -0.122 0.000 0.983 556 E CA 0.808 57.168 56.400 -0.067 0.000 0.818 556 E CB -0.198 29.491 29.700 -0.018 0.000 0.758 556 E HN 0.564 nan 8.360 nan 0.000 0.467 557 A N 1.264 123.984 122.820 -0.167 0.000 1.898 557 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 557 A C 2.066 179.263 177.584 -0.646 0.000 1.181 557 A CA 1.550 53.440 52.037 -0.246 0.000 0.620 557 A CB -0.443 18.497 19.000 -0.100 0.000 0.819 557 A HN 0.118 nan 8.150 nan 0.000 0.442 558 K N -0.010 119.787 120.400 -1.005 0.000 2.113 558 K HA -0.193 4.127 4.320 -0.000 0.000 0.208 558 K C 1.851 178.205 176.600 -0.410 0.000 1.047 558 K CA 1.833 57.439 56.287 -1.136 0.000 0.928 558 K CB -0.157 31.958 32.500 -0.642 0.000 0.716 558 K HN 0.473 nan 8.250 nan 0.000 0.446 559 K N -0.319 119.934 120.400 -0.245 0.000 2.228 559 K HA -0.039 4.281 4.320 -0.000 0.000 0.202 559 K C 2.247 178.813 176.600 -0.057 0.000 1.051 559 K CA 0.606 56.829 56.287 -0.108 0.000 0.960 559 K CB 0.083 32.536 32.500 -0.078 0.000 0.743 559 K HN 0.075 nan 8.250 nan 0.000 0.458 560 R N -0.401 120.061 120.500 -0.063 0.000 2.073 560 R HA -0.106 4.234 4.340 -0.000 0.000 0.229 560 R C 2.097 178.412 176.300 0.024 0.000 1.120 560 R CA 1.235 57.327 56.100 -0.013 0.000 0.967 560 R CB -0.219 30.081 30.300 0.000 0.000 0.862 560 R HN 0.194 nan 8.270 nan 0.000 0.436 561 Y N 1.274 121.525 120.300 -0.082 0.000 2.145 561 Y HA -0.302 4.248 4.550 -0.000 0.000 0.286 561 Y C 2.430 178.363 175.900 0.056 0.000 1.145 561 Y CA 1.849 59.965 58.100 0.027 0.000 1.148 561 Y CB -0.089 38.436 38.460 0.107 0.000 0.981 561 Y HN 0.002 nan 8.280 nan 0.000 0.507 562 Q N 0.764 120.671 119.800 0.177 0.000 2.061 562 Q HA -0.234 4.106 4.340 -0.000 0.000 0.204 562 Q C 2.211 178.263 176.000 0.087 0.000 0.984 562 Q CA 2.223 58.099 55.803 0.121 0.000 0.846 562 Q CB -0.332 28.439 28.738 0.055 0.000 0.902 562 Q HN 0.322 nan 8.270 nan 0.000 0.421 563 K N -0.509 119.913 120.400 0.037 0.000 2.147 563 K HA -0.014 4.305 4.320 -0.000 0.000 0.205 563 K C 1.605 178.207 176.600 0.004 0.000 1.049 563 K CA 1.371 57.670 56.287 0.021 0.000 0.936 563 K CB -0.466 32.036 32.500 0.003 0.000 0.722 563 K HN 0.231 nan 8.250 nan 0.000 0.446 564 A N -0.829 121.970 122.820 -0.035 0.000 2.067 564 A HA -0.065 4.254 4.320 -0.000 0.000 0.217 564 A C 2.010 179.549 177.584 -0.075 0.000 1.156 564 A CA 0.912 52.903 52.037 -0.077 0.000 0.683 564 A CB -0.671 18.249 19.000 -0.132 0.000 0.808 564 A HN 0.514 nan 8.150 nan 0.000 0.455 565 Y N 0.419 120.610 120.300 -0.182 0.000 2.206 565 Y HA 0.051 4.601 4.550 -0.000 0.000 0.292 565 Y C 2.604 178.467 175.900 -0.061 0.000 1.123 565 Y CA 1.104 59.129 58.100 -0.126 0.000 1.142 565 Y CB -0.427 37.986 38.460 -0.080 0.000 1.006 565 Y HN 0.290 nan 8.280 nan 0.000 0.518 566 A N 0.777 123.662 122.820 0.108 0.000 1.917 566 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 566 A C 2.399 179.948 177.584 -0.057 0.000 1.182 566 A CA 2.188 54.241 52.037 0.026 0.000 0.633 566 A CB -1.571 17.464 19.000 0.058 0.000 0.819 566 A HN 0.627 nan 8.150 nan 0.000 0.448 567 A N 0.147 122.935 122.820 -0.054 0.000 1.883 567 A HA -0.106 4.213 4.320 -0.000 0.000 0.217 567 A C 2.422 179.949 177.584 -0.095 0.000 1.186 567 A CA 2.374 54.374 52.037 -0.062 0.000 0.624 567 A CB -0.950 18.020 19.000 -0.050 0.000 0.822 567 A HN 1.154 nan 8.150 nan 0.000 0.444 568 S N -1.148 114.467 115.700 -0.142 0.000 2.603 568 S HA 0.404 4.874 4.470 -0.000 0.000 0.220 568 S C 0.613 175.090 174.600 -0.205 0.000 0.967 568 S CA 0.276 58.379 58.200 -0.161 0.000 0.920 568 S CB -0.698 62.399 63.200 -0.172 0.000 0.773 568 S HN 0.602 nan 8.310 nan 0.000 0.529 569 L N 0.000 121.086 121.223 -0.228 0.000 2.949 569 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 569 L CA 0.000 54.713 54.840 -0.212 0.000 0.813 569 L CB 0.000 41.978 42.059 -0.134 0.000 0.961 569 L HN 0.000 nan 8.230 nan 0.000 0.502