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 2q5l_1_A DATA FIRST_RESID -5 DATA SEQUENCE VPRGSHMKLA EALLRALKDR GAQAMFGIPG DFALPFFKVA EETQILPLHT DATA SEQUENCE LSHEPAVGFA ADAAARYSST LGVAAVTYGA GAFNMVNAVA GAYAEKSPVV DATA SEQUENCE VISGAPGTTE GNAGLLLXXX XXTLDTQFQV FKEITVAQAR LDDPAKAPAE DATA SEQUENCE IARVLGAARA QSRPVYLEIP RNMVNAEVEP VGDDPAWPVD RDALAACADE DATA SEQUENCE VLAAMRSATS PVLMVCVEVR RYGLEAKVAE LAQRLGVPVV TTFMGRGLLA DATA SEQUENCE DAPTPPLGTY IGVAGDAEIT RLVEESDGLF LLGAILSDTN FAVSQRKIDL DATA SEQUENCE RKTIHAFDRA VTLGYHTYAD IPLAGLVDAL LERLPPSDRT TRGKEPHAYP DATA SEQUENCE TGLQADGEPI APMDIARAVN DRVRAGQEPL LIAADMGDCL FTAMDMIDAG DATA SEQUENCE LMAPGYYAGM GFGVPAGIGA QCVSGGKRIL TVVGDGAFQM TGWELGNCRR DATA SEQUENCE LGIDPIVILF NNASWEMLRT FQPESAFNDL DDWRFADMAA GMGGDGVRVR DATA SEQUENCE TRAELKAALD KAFATRGRFQ LIEAMIPRGV LSDTLARFVQ GQK 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 -5 V HA 0.000 nan 4.120 nan 0.000 0.244 -5 V C 0.000 176.084 176.094 -0.017 0.000 1.182 -5 V CA 0.000 62.292 62.300 -0.013 0.000 1.235 -5 V CB 0.000 31.817 31.823 -0.011 0.000 1.184 -4 P HA 0.574 nan 4.420 nan 0.000 0.269 -4 P C -0.588 176.691 177.300 -0.035 0.000 1.209 -4 P CA -0.179 62.904 63.100 -0.029 0.000 0.776 -4 P CB 0.895 32.578 31.700 -0.028 0.000 0.876 -3 R N -0.235 120.234 120.500 -0.052 0.000 2.561 -3 R HA 0.571 4.914 4.340 0.005 0.000 0.266 -3 R C 0.534 176.762 176.300 -0.119 0.000 1.091 -3 R CA -0.132 55.929 56.100 -0.065 0.000 0.927 -3 R CB 0.833 31.110 30.300 -0.040 0.000 1.240 -3 R HN 1.044 nan 8.270 nan 0.000 0.449 -2 G N 0.115 108.793 108.800 -0.203 0.000 2.232 -2 G HA2 -0.354 3.609 3.960 0.005 0.000 0.226 -2 G HA3 -0.354 3.609 3.960 0.005 0.000 0.226 -2 G C 1.164 175.641 174.900 -0.706 0.000 0.996 -2 G CA 1.105 45.954 45.100 -0.418 0.000 0.626 -2 G HN 1.286 nan 8.290 nan 0.000 0.509 -1 S N 0.341 115.816 115.700 -0.375 0.000 2.447 -1 S HA -0.030 4.443 4.470 0.005 0.000 0.233 -1 S C 1.360 175.845 174.600 -0.191 0.000 1.006 -1 S CA 1.486 59.539 58.200 -0.244 0.000 0.957 -1 S CB -0.543 62.596 63.200 -0.102 0.000 0.773 -1 S HN 1.330 nan 8.310 nan 0.000 0.507 0 H N -0.770 118.298 119.070 -0.003 0.000 2.899 0 H HA -0.132 4.427 4.556 0.005 0.000 0.282 0 H C -0.271 175.054 175.328 -0.005 0.000 1.198 0 H CA 1.300 57.345 56.048 -0.004 0.000 1.140 0 H CB -2.139 27.620 29.762 -0.005 0.000 1.317 0 H HN 0.608 nan 8.280 nan 0.000 0.375 1 M N 1.081 120.715 119.600 0.058 0.000 2.053 1 M HA 0.329 4.813 4.480 0.005 0.000 0.297 1 M C -0.449 175.865 176.300 0.022 0.000 0.921 1 M CA -0.326 54.995 55.300 0.036 0.000 0.918 1 M CB 0.927 33.539 32.600 0.020 0.000 1.499 1 M HN 0.054 nan 8.290 nan 0.000 0.422 2 K N 3.301 123.715 120.400 0.024 0.000 2.414 2 K HA 0.069 4.392 4.320 0.005 0.000 0.272 2 K C 1.006 177.622 176.600 0.027 0.000 0.993 2 K CA -0.165 56.136 56.287 0.024 0.000 0.964 2 K CB 0.704 33.216 32.500 0.020 0.000 0.925 2 K HN 0.850 nan 8.250 nan 0.000 0.487 3 L N 2.685 123.928 121.223 0.034 0.000 2.012 3 L HA -0.279 4.064 4.340 0.005 0.000 0.210 3 L C 2.202 179.113 176.870 0.068 0.000 1.073 3 L CA 2.013 56.876 54.840 0.039 0.000 0.748 3 L CB -0.344 41.736 42.059 0.035 0.000 0.891 3 L HN 0.895 nan 8.230 nan 0.000 0.431 4 A N -0.708 122.176 122.820 0.106 0.000 1.908 4 A HA -0.299 4.025 4.320 0.005 0.000 0.218 4 A C 2.232 179.861 177.584 0.075 0.000 1.181 4 A CA 1.984 54.133 52.037 0.186 0.000 0.627 4 A CB -0.684 18.424 19.000 0.181 0.000 0.818 4 A HN 0.646 nan 8.150 nan 0.000 0.445 5 E N -0.335 119.874 120.200 0.015 0.000 2.072 5 E HA -0.075 4.278 4.350 0.005 0.000 0.191 5 E C 2.139 178.741 176.600 0.003 0.000 0.985 5 E CA 0.865 57.256 56.400 -0.015 0.000 0.801 5 E CB -0.236 29.453 29.700 -0.018 0.000 0.750 5 E HN 0.550 nan 8.360 nan 0.000 0.452 6 A N 0.914 123.745 122.820 0.018 0.000 1.933 6 A HA -0.171 4.152 4.320 0.005 0.000 0.218 6 A C 2.085 179.682 177.584 0.021 0.000 1.175 6 A CA 1.213 53.260 52.037 0.016 0.000 0.628 6 A CB -0.532 18.477 19.000 0.016 0.000 0.814 6 A HN 0.375 nan 8.150 nan 0.000 0.444 7 L N -0.258 120.990 121.223 0.041 0.000 2.044 7 L HA -0.025 4.318 4.340 0.005 0.000 0.205 7 L C 2.258 179.153 176.870 0.043 0.000 1.075 7 L CA 1.580 56.449 54.840 0.048 0.000 0.747 7 L CB -0.592 41.516 42.059 0.082 0.000 0.903 7 L HN 0.388 nan 8.230 nan 0.000 0.435 8 L N -0.693 120.554 121.223 0.040 0.000 2.042 8 L HA -0.226 4.117 4.340 0.005 0.000 0.210 8 L C 2.774 179.636 176.870 -0.014 0.000 1.076 8 L CA 1.469 56.308 54.840 -0.002 0.000 0.749 8 L CB -0.577 41.444 42.059 -0.064 0.000 0.893 8 L HN 0.257 nan 8.230 nan 0.000 0.432 9 R N -0.188 120.306 120.500 -0.011 0.000 2.092 9 R HA -0.090 4.253 4.340 0.005 0.000 0.231 9 R C 2.448 178.747 176.300 -0.001 0.000 1.119 9 R CA 1.174 57.268 56.100 -0.010 0.000 0.970 9 R CB -0.424 29.871 30.300 -0.008 0.000 0.864 9 R HN 0.351 nan 8.270 nan 0.000 0.440 10 A N 1.189 124.013 122.820 0.006 0.000 1.933 10 A HA -0.113 4.210 4.320 0.005 0.000 0.218 10 A C 2.139 179.729 177.584 0.010 0.000 1.175 10 A CA 1.091 53.133 52.037 0.009 0.000 0.628 10 A CB -0.420 18.588 19.000 0.013 0.000 0.814 10 A HN 0.158 nan 8.150 nan 0.000 0.444 11 L N -0.718 120.511 121.223 0.010 0.000 2.027 11 L HA -0.170 4.173 4.340 0.005 0.000 0.206 11 L C 2.623 179.497 176.870 0.006 0.000 1.074 11 L CA 1.896 56.743 54.840 0.011 0.000 0.745 11 L CB -0.400 41.666 42.059 0.012 0.000 0.898 11 L HN 0.438 nan 8.230 nan 0.000 0.433 12 K N 0.098 120.496 120.400 -0.003 0.000 2.057 12 K HA -0.214 4.109 4.320 0.005 0.000 0.207 12 K C 1.645 178.245 176.600 0.001 0.000 1.049 12 K CA 1.729 58.012 56.287 -0.007 0.000 0.931 12 K CB -0.030 32.459 32.500 -0.018 0.000 0.714 12 K HN 0.237 nan 8.250 nan 0.000 0.440 13 D N 0.475 120.877 120.400 0.002 0.000 2.182 13 D HA -0.141 4.502 4.640 0.005 0.000 0.201 13 D C 1.350 177.655 176.300 0.008 0.000 0.986 13 D CA 1.137 55.139 54.000 0.004 0.000 0.847 13 D CB 0.022 40.825 40.800 0.005 0.000 0.942 13 D HN 0.263 nan 8.370 nan 0.000 0.467 14 R N -0.899 119.607 120.500 0.011 0.000 2.359 14 R HA 0.278 4.621 4.340 0.005 0.000 0.231 14 R C 1.214 177.525 176.300 0.018 0.000 0.913 14 R CA 0.461 56.570 56.100 0.014 0.000 1.075 14 R CB 0.720 31.029 30.300 0.015 0.000 1.087 14 R HN 0.161 nan 8.270 nan 0.000 0.515 15 G N 0.198 109.008 108.800 0.018 0.000 2.218 15 G HA2 -0.277 3.686 3.960 0.005 0.000 0.216 15 G HA3 -0.277 3.686 3.960 0.005 0.000 0.216 15 G C 0.329 175.248 174.900 0.032 0.000 0.994 15 G CA -0.241 44.874 45.100 0.025 0.000 0.637 15 G HN 0.471 nan 8.290 nan 0.000 0.505 16 A N 0.134 122.971 122.820 0.028 0.000 2.565 16 A HA 0.503 4.826 4.320 0.005 0.000 0.237 16 A C 1.093 178.689 177.584 0.021 0.000 1.053 16 A CA 1.566 53.623 52.037 0.033 0.000 0.755 16 A CB 0.148 19.161 19.000 0.021 0.000 0.980 16 A HN 0.586 nan 8.150 nan 0.000 0.506 17 Q N 0.327 120.147 119.800 0.034 0.000 2.246 17 Q HA 0.458 4.802 4.340 0.005 0.000 0.222 17 Q C 0.186 176.166 176.000 -0.034 0.000 0.851 17 Q CA 0.658 56.472 55.803 0.018 0.000 0.945 17 Q CB 0.639 29.413 28.738 0.060 0.000 1.122 17 Q HN 0.989 nan 8.270 nan 0.000 0.508 18 A N 0.740 123.515 122.820 -0.076 0.000 2.515 18 A HA 0.671 4.994 4.320 0.005 0.000 0.292 18 A C -2.016 175.396 177.584 -0.287 0.000 1.065 18 A CA -0.700 51.187 52.037 -0.251 0.000 0.641 18 A CB 1.095 19.905 19.000 -0.316 0.000 1.306 18 A HN 0.130 nan 8.150 nan 0.000 0.441 19 M N 1.012 120.341 119.600 -0.452 0.000 2.204 19 M HA 0.715 5.199 4.480 0.005 0.000 0.293 19 M C -2.107 173.955 176.300 -0.396 0.000 0.994 19 M CA -0.333 54.791 55.300 -0.294 0.000 0.925 19 M CB 0.857 33.331 32.600 -0.210 0.000 1.577 19 M HN 0.579 nan 8.290 nan 0.000 0.439 20 F N 2.519 122.497 119.950 0.046 0.000 2.397 20 F HA 0.931 5.462 4.527 0.006 0.000 0.331 20 F C 0.891 176.760 175.800 0.114 0.000 1.090 20 F CA -0.097 57.964 58.000 0.101 0.000 1.065 20 F CB 2.035 41.097 39.000 0.103 0.000 1.184 20 F HN 0.667 nan 8.300 nan 0.000 0.499 21 G N 1.399 110.418 108.800 0.364 0.000 2.356 21 G HA2 0.575 4.538 3.960 0.005 0.000 0.294 21 G HA3 0.575 4.538 3.960 0.005 0.000 0.294 21 G C -2.159 173.012 174.900 0.451 0.000 1.423 21 G CA -0.777 44.578 45.100 0.426 0.000 0.806 21 G HN 0.538 nan 8.290 nan 0.000 0.527 22 I N 2.168 122.977 120.570 0.398 0.000 2.512 22 I HA 0.375 4.548 4.170 0.005 0.000 0.287 22 I C -2.190 173.836 176.117 -0.151 0.000 1.069 22 I CA -1.977 59.404 61.300 0.134 0.000 1.056 22 I CB 3.266 41.336 38.000 0.117 0.000 1.229 22 I HN 0.316 nan 8.210 nan 0.000 0.429 23 P HA 0.479 nan 4.420 nan 0.000 0.279 23 P C -0.431 176.660 177.300 -0.349 0.000 1.282 23 P CA -0.130 62.362 63.100 -1.013 0.000 0.788 23 P CB 1.677 32.643 31.700 -1.224 0.000 1.139 24 G N -0.784 107.872 108.800 -0.240 0.000 2.576 24 G HA2 0.332 4.295 3.960 0.005 0.000 0.290 24 G HA3 0.332 4.295 3.960 0.005 0.000 0.290 24 G C 0.074 174.932 174.900 -0.071 0.000 1.442 24 G CA -0.330 44.722 45.100 -0.079 0.000 0.792 24 G HN 0.414 nan 8.290 nan 0.000 0.491 25 D N -0.157 120.176 120.400 -0.111 0.000 2.116 25 D HA -0.195 4.448 4.640 0.005 0.000 0.193 25 D C 1.741 177.922 176.300 -0.197 0.000 0.998 25 D CA 1.661 55.533 54.000 -0.214 0.000 0.836 25 D CB -0.418 40.163 40.800 -0.365 0.000 0.951 25 D HN 0.320 nan 8.370 nan 0.000 0.449 26 F N 0.667 120.644 119.950 0.045 0.000 2.365 26 F HA 0.150 4.680 4.527 0.005 0.000 0.300 26 F C 2.599 178.444 175.800 0.074 0.000 1.090 26 F CA 0.893 58.921 58.000 0.047 0.000 1.408 26 F CB -0.068 38.963 39.000 0.053 0.000 1.060 26 F HN 0.103 nan 8.300 nan 0.000 0.534 27 A N -0.519 122.445 122.820 0.240 0.000 2.308 27 A HA 0.191 4.515 4.320 0.005 0.000 0.217 27 A C 1.947 179.716 177.584 0.309 0.000 1.216 27 A CA -0.032 52.185 52.037 0.300 0.000 0.864 27 A CB -0.606 18.592 19.000 0.330 0.000 0.902 27 A HN 0.345 nan 8.150 nan 0.000 0.499 28 L N -0.099 121.200 121.223 0.126 0.000 2.013 28 L HA -0.163 4.181 4.340 0.005 0.000 0.212 28 L C -0.488 176.486 176.870 0.174 0.000 1.073 28 L CA 1.759 56.657 54.840 0.096 0.000 0.753 28 L CB -1.323 40.743 42.059 0.011 0.000 0.890 28 L HN 0.228 nan 8.230 nan 0.000 0.432 29 P HA -0.210 nan 4.420 nan 0.000 0.217 29 P C 1.503 178.911 177.300 0.181 0.000 1.150 29 P CA 1.308 64.493 63.100 0.143 0.000 0.832 29 P CB -0.035 31.741 31.700 0.127 0.000 0.787 30 F N -0.949 119.084 119.950 0.138 0.000 2.146 30 F HA -0.118 4.412 4.527 0.005 0.000 0.298 30 F C 1.872 177.723 175.800 0.085 0.000 1.096 30 F CA 1.353 59.412 58.000 0.097 0.000 1.275 30 F CB -0.797 38.264 39.000 0.102 0.000 1.008 30 F HN -0.226 nan 8.300 nan 0.000 0.480 31 F N 0.972 120.900 119.950 -0.037 0.000 2.234 31 F HA -0.092 4.438 4.527 0.005 0.000 0.299 31 F C 2.484 178.188 175.800 -0.161 0.000 1.087 31 F CA 1.550 59.474 58.000 -0.127 0.000 1.340 31 F CB -0.799 38.209 39.000 0.013 0.000 1.031 31 F HN -0.053 nan 8.300 nan 0.000 0.500 32 K N 0.380 120.821 120.400 0.068 0.000 2.026 32 K HA -0.142 4.181 4.320 0.005 0.000 0.208 32 K C 2.047 178.595 176.600 -0.087 0.000 1.048 32 K CA 1.587 57.876 56.287 0.003 0.000 0.929 32 K CB -0.344 32.169 32.500 0.021 0.000 0.713 32 K HN 0.090 nan 8.250 nan 0.000 0.439 33 V N 1.421 121.244 119.914 -0.151 0.000 2.343 33 V HA -0.257 3.866 4.120 0.005 0.000 0.247 33 V C 2.474 178.402 176.094 -0.276 0.000 1.051 33 V CA 1.995 64.177 62.300 -0.197 0.000 1.036 33 V CB -0.728 30.966 31.823 -0.215 0.000 0.654 33 V HN 0.519 nan 8.190 nan 0.000 0.451 34 A N -0.515 122.039 122.820 -0.442 0.000 1.877 34 A HA -0.281 4.043 4.320 0.005 0.000 0.216 34 A C 2.306 179.735 177.584 -0.257 0.000 1.186 34 A CA 2.079 53.856 52.037 -0.433 0.000 0.620 34 A CB -0.505 18.116 19.000 -0.633 0.000 0.822 34 A HN 0.619 nan 8.150 nan 0.000 0.443 35 E N -0.302 119.788 120.200 -0.184 0.000 2.047 35 E HA -0.197 4.156 4.350 0.005 0.000 0.191 35 E C 1.947 178.492 176.600 -0.092 0.000 0.987 35 E CA 1.253 57.588 56.400 -0.109 0.000 0.799 35 E CB -0.117 29.557 29.700 -0.044 0.000 0.752 35 E HN 0.741 nan 8.360 nan 0.000 0.449 36 E N -0.474 119.674 120.200 -0.086 0.000 2.106 36 E HA -0.139 4.214 4.350 0.005 0.000 0.192 36 E C 2.158 178.714 176.600 -0.074 0.000 0.984 36 E CA 1.640 57.999 56.400 -0.067 0.000 0.806 36 E CB 0.004 29.671 29.700 -0.055 0.000 0.750 36 E HN 0.399 nan 8.360 nan 0.000 0.458 37 T N -2.029 112.467 114.554 -0.097 0.000 3.054 37 T HA -0.064 4.289 4.350 0.005 0.000 0.259 37 T C 0.944 175.588 174.700 -0.093 0.000 1.092 37 T CA 0.073 62.119 62.100 -0.089 0.000 1.121 37 T CB 0.252 69.062 68.868 -0.098 0.000 0.912 37 T HN -0.089 nan 8.240 nan 0.000 0.489 38 Q N 0.028 119.759 119.800 -0.116 0.000 2.461 38 Q HA -0.181 4.162 4.340 0.005 0.000 0.273 38 Q C 1.069 177.002 176.000 -0.112 0.000 1.163 38 Q CA 0.617 56.349 55.803 -0.118 0.000 0.929 38 Q CB -2.411 26.274 28.738 -0.089 0.000 1.334 38 Q HN 0.687 nan 8.270 nan 0.000 0.499 39 I N -0.770 119.729 120.570 -0.118 0.000 2.226 39 I HA -0.181 3.992 4.170 0.005 0.000 0.245 39 I C 1.185 177.239 176.117 -0.105 0.000 1.100 39 I CA 1.220 62.462 61.300 -0.097 0.000 1.374 39 I CB 0.103 38.048 38.000 -0.092 0.000 1.057 39 I HN 0.118 nan 8.210 nan 0.000 0.413 40 L N 0.312 121.447 121.223 -0.145 0.000 2.386 40 L HA 0.420 4.763 4.340 0.005 0.000 0.271 40 L C -2.481 174.245 176.870 -0.239 0.000 0.993 40 L CA -2.053 52.687 54.840 -0.166 0.000 0.819 40 L CB 1.705 43.666 42.059 -0.163 0.000 1.294 40 L HN -0.286 nan 8.230 nan 0.000 0.414 41 P HA 0.015 nan 4.420 nan 0.000 0.264 41 P C -0.932 175.982 177.300 -0.642 0.000 1.193 41 P CA -0.129 62.728 63.100 -0.405 0.000 0.763 41 P CB 0.514 31.995 31.700 -0.365 0.000 0.810 42 L N 5.827 126.710 121.223 -0.567 0.000 2.265 42 L HA 0.350 4.694 4.340 0.005 0.000 0.289 42 L C -0.722 175.865 176.870 -0.472 0.000 1.033 42 L CA -0.062 54.488 54.840 -0.483 0.000 0.814 42 L CB -0.014 41.887 42.059 -0.264 0.000 1.203 42 L HN 0.388 nan 8.230 nan 0.000 0.423 43 H N 3.113 122.071 119.070 -0.187 0.000 2.646 43 H HA 0.449 5.009 4.556 0.005 0.000 0.328 43 H C -0.205 175.181 175.328 0.097 0.000 0.998 43 H CA -0.487 55.520 56.048 -0.069 0.000 1.225 43 H CB 1.313 30.980 29.762 -0.160 0.000 1.457 43 H HN 0.662 nan 8.280 nan 0.000 0.505 44 T N 1.378 116.085 114.554 0.255 0.000 2.934 44 T HA 0.729 5.082 4.350 0.005 0.000 0.283 44 T C 0.439 175.281 174.700 0.237 0.000 1.005 44 T CA -0.737 61.517 62.100 0.256 0.000 1.041 44 T CB 1.420 70.412 68.868 0.206 0.000 1.042 44 T HN 0.319 nan 8.240 nan 0.000 0.505 45 L N 0.260 121.612 121.223 0.216 0.000 2.183 45 L HA 0.473 4.816 4.340 0.005 0.000 0.253 45 L C 1.413 178.372 176.870 0.148 0.000 1.048 45 L CA -1.080 53.862 54.840 0.170 0.000 0.890 45 L CB 1.818 43.973 42.059 0.161 0.000 1.476 45 L HN 0.739 nan 8.230 nan 0.000 0.455 46 S N -2.388 113.396 115.700 0.140 0.000 2.388 46 S HA 0.029 4.502 4.470 0.005 0.000 0.223 46 S C 0.178 174.891 174.600 0.188 0.000 1.034 46 S CA 0.630 58.912 58.200 0.137 0.000 0.963 46 S CB -0.004 63.271 63.200 0.124 0.000 0.827 46 S HN 0.479 nan 8.310 nan 0.000 0.481 47 H N -0.328 118.791 119.070 0.081 0.000 2.717 47 H HA 0.254 4.813 4.556 0.005 0.000 0.366 47 H C 0.048 175.413 175.328 0.062 0.000 1.132 47 H CA -0.577 55.516 56.048 0.075 0.000 1.180 47 H CB 1.515 31.330 29.762 0.089 0.000 1.678 47 H HN -0.055 nan 8.280 nan 0.000 0.537 48 E N 2.756 122.979 120.200 0.039 0.000 2.130 48 E HA -0.139 4.215 4.350 0.005 0.000 0.196 48 E C -1.292 175.213 176.600 -0.159 0.000 0.998 48 E CA 1.492 57.868 56.400 -0.040 0.000 0.806 48 E CB -0.736 28.949 29.700 -0.025 0.000 0.738 48 E HN 0.556 nan 8.360 nan 0.000 0.459 49 P HA -0.208 nan 4.420 nan 0.000 0.216 49 P C 0.971 178.051 177.300 -0.367 0.000 1.153 49 P CA 2.009 64.863 63.100 -0.411 0.000 0.858 49 P CB -0.008 31.547 31.700 -0.242 0.000 0.789 50 A N -0.797 121.998 122.820 -0.041 0.000 1.930 50 A HA -0.141 4.182 4.320 0.005 0.000 0.217 50 A C 2.307 179.867 177.584 -0.040 0.000 1.175 50 A CA 1.565 53.638 52.037 0.059 0.000 0.627 50 A CB -1.677 17.369 19.000 0.076 0.000 0.815 50 A HN 0.017 nan 8.150 nan 0.000 0.443 51 V N -0.050 119.851 119.914 -0.022 0.000 2.287 51 V HA -0.220 3.903 4.120 0.005 0.000 0.248 51 V C 2.810 178.869 176.094 -0.059 0.000 1.053 51 V CA 2.115 64.428 62.300 0.023 0.000 1.027 51 V CB -1.428 30.458 31.823 0.104 0.000 0.646 51 V HN 0.605 nan 8.190 nan 0.000 0.447 52 G N -0.842 107.876 108.800 -0.137 0.000 2.402 52 G HA2 -0.208 3.755 3.960 0.005 0.000 0.216 52 G HA3 -0.208 3.755 3.960 0.005 0.000 0.216 52 G C 1.408 176.234 174.900 -0.122 0.000 1.162 52 G CA 0.750 45.756 45.100 -0.157 0.000 0.777 52 G HN 0.428 nan 8.290 nan 0.000 0.539 53 F N 1.857 121.751 119.950 -0.094 0.000 2.134 53 F HA 0.090 4.620 4.527 0.005 0.000 0.299 53 F C 3.007 178.589 175.800 -0.364 0.000 1.097 53 F CA 0.430 58.323 58.000 -0.179 0.000 1.264 53 F CB -0.849 38.004 39.000 -0.245 0.000 1.001 53 F HN 0.251 nan 8.300 nan 0.000 0.479 54 A N -0.019 122.635 122.820 -0.278 0.000 1.902 54 A HA -0.015 4.309 4.320 0.005 0.000 0.217 54 A C 2.450 179.580 177.584 -0.756 0.000 1.181 54 A CA 1.760 53.386 52.037 -0.684 0.000 0.623 54 A CB -1.267 17.087 19.000 -1.078 0.000 0.818 54 A HN 0.288 nan 8.150 nan 0.000 0.443 55 A N -0.133 122.401 122.820 -0.477 0.000 1.930 55 A HA -0.177 4.146 4.320 0.005 0.000 0.217 55 A C 1.907 179.502 177.584 0.018 0.000 1.175 55 A CA 2.045 54.045 52.037 -0.061 0.000 0.627 55 A CB -0.562 18.514 19.000 0.127 0.000 0.815 55 A HN 0.523 nan 8.150 nan 0.000 0.443 56 D N 0.220 120.632 120.400 0.021 0.000 2.084 56 D HA -0.077 4.566 4.640 0.005 0.000 0.194 56 D C 2.101 178.462 176.300 0.102 0.000 0.990 56 D CA 1.787 55.853 54.000 0.110 0.000 0.826 56 D CB -0.354 40.587 40.800 0.236 0.000 0.971 56 D HN 0.299 nan 8.370 nan 0.000 0.453 57 A N 0.743 123.568 122.820 0.008 0.000 1.908 57 A HA -0.026 4.297 4.320 0.005 0.000 0.218 57 A C 2.431 180.052 177.584 0.061 0.000 1.181 57 A CA 2.624 54.657 52.037 -0.006 0.000 0.627 57 A CB -1.020 17.849 19.000 -0.219 0.000 0.818 57 A HN 0.344 nan 8.150 nan 0.000 0.445 58 A N -0.305 122.539 122.820 0.041 0.000 1.933 58 A HA 0.180 4.504 4.320 0.005 0.000 0.218 58 A C 2.479 180.171 177.584 0.180 0.000 1.175 58 A CA 2.014 54.146 52.037 0.158 0.000 0.628 58 A CB -0.909 18.281 19.000 0.316 0.000 0.814 58 A HN 1.030 nan 8.150 nan 0.000 0.444 59 A N -0.063 122.839 122.820 0.138 0.000 1.873 59 A HA -0.135 4.188 4.320 0.005 0.000 0.215 59 A C 2.249 179.888 177.584 0.091 0.000 1.186 59 A CA 1.411 53.513 52.037 0.108 0.000 0.616 59 A CB -0.444 18.606 19.000 0.082 0.000 0.823 59 A HN 0.545 nan 8.150 nan 0.000 0.442 60 R N -2.218 118.342 120.500 0.100 0.000 2.081 60 R HA -0.140 4.204 4.340 0.005 0.000 0.235 60 R C 2.145 178.488 176.300 0.072 0.000 1.131 60 R CA 1.589 57.731 56.100 0.071 0.000 0.960 60 R CB -0.572 29.787 30.300 0.099 0.000 0.856 60 R HN 0.668 nan 8.270 nan 0.000 0.436 61 Y N 1.092 121.402 120.300 0.017 0.000 2.165 61 Y HA -0.209 4.344 4.550 0.005 0.000 0.286 61 Y C 1.701 177.607 175.900 0.009 0.000 1.155 61 Y CA 1.757 59.864 58.100 0.012 0.000 1.164 61 Y CB 0.212 38.684 38.460 0.020 0.000 0.978 61 Y HN -0.101 nan 8.280 nan 0.000 0.513 62 S N -1.035 114.748 115.700 0.139 0.000 2.578 62 S HA 0.123 4.596 4.470 0.005 0.000 0.231 62 S C 0.389 174.999 174.600 0.018 0.000 0.994 62 S CA 0.473 58.712 58.200 0.065 0.000 0.956 62 S CB 0.176 63.471 63.200 0.157 0.000 0.870 62 S HN 0.342 nan 8.310 nan 0.000 0.494 63 S N 1.704 117.406 115.700 0.003 0.000 3.631 63 S HA -0.140 4.334 4.470 0.005 0.000 0.366 63 S C 0.108 174.714 174.600 0.010 0.000 0.993 63 S CA 1.090 59.281 58.200 -0.015 0.000 1.167 63 S CB -1.441 61.734 63.200 -0.041 0.000 0.909 63 S HN 0.711 nan 8.310 nan 0.000 0.478 64 T N -0.586 113.988 114.554 0.033 0.000 2.626 64 T HA 0.709 5.063 4.350 0.005 0.000 0.279 64 T C -0.620 174.107 174.700 0.046 0.000 0.983 64 T CA -0.865 61.259 62.100 0.040 0.000 1.059 64 T CB 0.677 69.576 68.868 0.052 0.000 1.396 64 T HN 0.229 nan 8.240 nan 0.000 0.519 65 L N 1.612 122.863 121.223 0.048 0.000 2.349 65 L HA 0.579 4.922 4.340 0.005 0.000 0.275 65 L C 1.084 178.001 176.870 0.079 0.000 1.115 65 L CA -0.623 54.249 54.840 0.052 0.000 0.820 65 L CB 0.722 42.806 42.059 0.042 0.000 1.135 65 L HN 0.766 nan 8.230 nan 0.000 0.445 66 G N 2.028 110.883 108.800 0.091 0.000 2.434 66 G HA2 0.602 4.565 3.960 0.005 0.000 0.330 66 G HA3 0.602 4.565 3.960 0.005 0.000 0.330 66 G C -1.056 173.921 174.900 0.129 0.000 1.155 66 G CA -0.361 44.820 45.100 0.136 0.000 0.917 66 G HN 0.334 nan 8.290 nan 0.000 0.493 67 V N 0.279 120.301 119.914 0.180 0.000 2.525 67 V HA 0.706 4.829 4.120 0.005 0.000 0.299 67 V C -0.039 176.169 176.094 0.191 0.000 1.034 67 V CA -0.814 61.566 62.300 0.133 0.000 0.863 67 V CB 1.347 33.214 31.823 0.073 0.000 0.999 67 V HN 1.160 nan 8.190 nan 0.000 0.423 68 A N 3.772 126.672 122.820 0.134 0.000 2.332 68 A HA 0.928 5.251 4.320 0.005 0.000 0.300 68 A C -0.110 177.532 177.584 0.097 0.000 1.153 68 A CA -0.264 51.862 52.037 0.149 0.000 0.764 68 A CB 1.259 20.329 19.000 0.116 0.000 1.174 68 A HN 1.351 nan 8.150 nan 0.000 0.467 69 A N 2.321 125.225 122.820 0.139 0.000 2.304 69 A HA 0.796 5.119 4.320 0.005 0.000 0.323 69 A C 0.084 177.852 177.584 0.307 0.000 1.195 69 A CA -0.100 52.027 52.037 0.149 0.000 0.826 69 A CB 0.684 19.730 19.000 0.077 0.000 1.184 69 A HN 2.102 nan 8.150 nan 0.000 0.496 70 V N -0.582 119.466 119.914 0.223 0.000 3.156 70 V HA 0.879 5.003 4.120 0.005 0.000 0.310 70 V C -0.023 176.184 176.094 0.188 0.000 1.234 70 V CA -0.439 61.984 62.300 0.205 0.000 1.065 70 V CB 1.200 33.080 31.823 0.095 0.000 1.088 70 V HN 0.883 nan 8.190 nan 0.000 0.451 71 T N -0.554 114.087 114.554 0.144 0.000 2.944 71 T HA 0.547 4.900 4.350 0.005 0.000 0.284 71 T C -0.941 173.866 174.700 0.178 0.000 1.010 71 T CA -0.243 61.966 62.100 0.182 0.000 1.025 71 T CB 0.956 69.921 68.868 0.162 0.000 1.079 71 T HN 0.768 nan 8.240 nan 0.000 0.516 72 Y N 1.965 122.324 120.300 0.099 0.000 2.578 72 Y HA 0.384 4.938 4.550 0.006 0.000 0.339 72 Y C 1.166 177.092 175.900 0.044 0.000 1.231 72 Y CA 1.633 59.726 58.100 -0.011 0.000 1.461 72 Y CB -0.213 38.132 38.460 -0.192 0.000 1.323 72 Y HN 1.102 nan 8.280 nan 0.000 0.590 73 G N 2.988 111.409 108.800 -0.631 0.000 2.523 73 G HA2 -0.295 3.668 3.960 0.005 0.000 0.271 73 G HA3 -0.295 3.668 3.960 0.005 0.000 0.271 73 G C 1.095 176.011 174.900 0.027 0.000 1.146 73 G CA 0.618 45.554 45.100 -0.273 0.000 0.961 73 G HN 1.478 nan 8.290 nan 0.000 0.549 74 A N -0.276 122.657 122.820 0.189 0.000 1.915 74 A HA 0.048 4.371 4.320 0.005 0.000 0.220 74 A C 3.152 180.831 177.584 0.158 0.000 1.198 74 A CA 3.825 55.992 52.037 0.217 0.000 0.647 74 A CB -1.423 17.676 19.000 0.164 0.000 0.825 74 A HN 2.395 nan 8.150 nan 0.000 0.456 75 G N -0.900 107.965 108.800 0.107 0.000 2.459 75 G HA2 -0.050 3.913 3.960 0.005 0.000 0.217 75 G HA3 -0.050 3.913 3.960 0.005 0.000 0.217 75 G C 1.793 176.731 174.900 0.063 0.000 1.183 75 G CA 1.807 46.961 45.100 0.090 0.000 0.776 75 G HN 0.948 nan 8.290 nan 0.000 0.552 76 A N 0.308 123.117 122.820 -0.017 0.000 1.873 76 A HA 0.163 4.486 4.320 0.005 0.000 0.215 76 A C 2.168 179.819 177.584 0.113 0.000 1.186 76 A CA 1.432 53.447 52.037 -0.036 0.000 0.616 76 A CB -0.556 18.280 19.000 -0.274 0.000 0.823 76 A HN 0.263 nan 8.150 nan 0.000 0.442 77 F N 0.380 120.409 119.950 0.130 0.000 2.269 77 F HA -0.115 4.415 4.527 0.006 0.000 0.301 77 F C 2.029 177.832 175.800 0.005 0.000 1.082 77 F CA 1.355 59.387 58.000 0.053 0.000 1.360 77 F CB -0.657 38.340 39.000 -0.005 0.000 1.041 77 F HN 0.250 nan 8.300 nan 0.000 0.512 78 N N -0.290 118.516 118.700 0.177 0.000 2.571 78 N HA -0.094 4.649 4.740 0.005 0.000 0.189 78 N C 1.344 176.835 175.510 -0.032 0.000 1.154 78 N CA 0.543 53.623 53.050 0.050 0.000 0.907 78 N CB -0.210 38.294 38.487 0.029 0.000 0.977 78 N HN 0.292 nan 8.380 nan 0.000 0.449 79 M N -0.975 118.643 119.600 0.030 0.000 2.346 79 M HA 0.161 4.645 4.480 0.005 0.000 0.280 79 M C 0.694 176.981 176.300 -0.021 0.000 1.075 79 M CA -0.022 55.265 55.300 -0.021 0.000 0.989 79 M CB 0.516 33.146 32.600 0.050 0.000 1.447 79 M HN -0.160 nan 8.290 nan 0.000 0.511 80 V N 1.364 121.246 119.914 -0.053 0.000 2.287 80 V HA -0.301 3.822 4.120 0.005 0.000 0.248 80 V C 2.015 178.019 176.094 -0.151 0.000 1.053 80 V CA 2.380 64.550 62.300 -0.218 0.000 1.027 80 V CB -0.793 30.889 31.823 -0.234 0.000 0.646 80 V HN 0.646 nan 8.190 nan 0.000 0.447 81 N N 0.603 119.251 118.700 -0.086 0.000 2.084 81 N HA -0.147 4.596 4.740 0.005 0.000 0.190 81 N C 1.737 177.224 175.510 -0.038 0.000 1.030 81 N CA 1.898 54.948 53.050 0.000 0.000 0.849 81 N CB -0.394 38.129 38.487 0.060 0.000 1.012 81 N HN 0.397 nan 8.380 nan 0.000 0.423 82 A N -0.078 122.605 122.820 -0.228 0.000 1.933 82 A HA -0.063 4.260 4.320 0.005 0.000 0.218 82 A C 2.423 179.931 177.584 -0.126 0.000 1.175 82 A CA 1.636 53.460 52.037 -0.355 0.000 0.628 82 A CB -0.843 17.671 19.000 -0.811 0.000 0.814 82 A HN 0.203 nan 8.150 nan 0.000 0.444 83 V N -0.303 119.556 119.914 -0.092 0.000 2.358 83 V HA -0.198 3.925 4.120 0.005 0.000 0.246 83 V C 3.031 179.093 176.094 -0.053 0.000 1.047 83 V CA 1.758 64.051 62.300 -0.012 0.000 1.035 83 V CB -1.137 30.733 31.823 0.079 0.000 0.658 83 V HN 0.606 nan 8.190 nan 0.000 0.452 84 A N 0.594 123.333 122.820 -0.135 0.000 1.933 84 A HA -0.097 4.226 4.320 0.005 0.000 0.218 84 A C 2.396 179.714 177.584 -0.444 0.000 1.175 84 A CA 1.916 53.842 52.037 -0.185 0.000 0.628 84 A CB -1.124 17.806 19.000 -0.116 0.000 0.814 84 A HN 0.528 nan 8.150 nan 0.000 0.444 85 G N -0.649 107.726 108.800 -0.708 0.000 2.408 85 G HA2 0.043 4.006 3.960 0.005 0.000 0.217 85 G HA3 0.043 4.006 3.960 0.005 0.000 0.217 85 G C 1.698 176.376 174.900 -0.368 0.000 1.150 85 G CA 1.305 45.750 45.100 -1.091 0.000 0.776 85 G HN 0.767 nan 8.290 nan 0.000 0.542 86 A N -0.119 122.629 122.820 -0.121 0.000 1.898 86 A HA 0.021 4.344 4.320 0.005 0.000 0.216 86 A C 2.152 179.736 177.584 -0.001 0.000 1.181 86 A CA 1.528 53.560 52.037 -0.008 0.000 0.620 86 A CB -0.651 18.379 19.000 0.050 0.000 0.819 86 A HN 0.456 nan 8.150 nan 0.000 0.442 87 Y N 0.595 120.840 120.300 -0.093 0.000 2.114 87 Y HA -0.154 4.399 4.550 0.005 0.000 0.284 87 Y C 2.680 178.570 175.900 -0.016 0.000 1.143 87 Y CA 1.653 59.728 58.100 -0.041 0.000 1.135 87 Y CB -0.365 38.068 38.460 -0.045 0.000 0.980 87 Y HN 0.320 nan 8.280 nan 0.000 0.499 88 A N 0.067 123.001 122.820 0.191 0.000 1.978 88 A HA -0.214 4.109 4.320 0.005 0.000 0.220 88 A C 1.651 179.331 177.584 0.160 0.000 1.170 88 A CA 2.045 54.197 52.037 0.191 0.000 0.636 88 A CB -0.543 18.523 19.000 0.110 0.000 0.810 88 A HN 0.678 nan 8.150 nan 0.000 0.448 89 E N -0.524 119.712 120.200 0.058 0.000 2.585 89 E HA 0.126 4.479 4.350 0.005 0.000 0.206 89 E C -0.682 175.933 176.600 0.025 0.000 1.007 89 E CA -0.474 55.965 56.400 0.066 0.000 1.028 89 E CB 0.293 29.974 29.700 -0.033 0.000 1.087 89 E HN 0.256 nan 8.360 nan 0.000 0.455 90 K N 0.721 121.116 120.400 -0.009 0.000 3.257 90 K HA -0.161 4.162 4.320 0.005 0.000 0.270 90 K C -0.580 175.965 176.600 -0.091 0.000 0.984 90 K CA 0.429 56.669 56.287 -0.079 0.000 0.739 90 K CB -1.851 30.636 32.500 -0.022 0.000 1.351 90 K HN 0.164 nan 8.250 nan 0.000 0.463 91 S N 1.284 116.946 115.700 -0.064 0.000 2.498 91 S HA 0.423 4.896 4.470 0.005 0.000 0.317 91 S C -2.402 172.186 174.600 -0.019 0.000 1.090 91 S CA -1.466 56.717 58.200 -0.029 0.000 1.089 91 S CB 1.348 64.561 63.200 0.023 0.000 0.997 91 S HN 0.044 nan 8.310 nan 0.000 0.470 92 P HA 0.145 nan 4.420 nan 0.000 0.244 92 P C -0.617 176.706 177.300 0.038 0.000 1.769 92 P CA -0.180 62.922 63.100 0.003 0.000 1.102 92 P CB 0.063 31.759 31.700 -0.006 0.000 1.937 93 V N 4.503 124.450 119.914 0.056 0.000 2.432 93 V HA 0.077 4.200 4.120 0.005 0.000 0.271 93 V C 0.821 176.960 176.094 0.076 0.000 1.046 93 V CA -0.456 61.890 62.300 0.075 0.000 0.945 93 V CB 1.694 33.568 31.823 0.085 0.000 0.992 93 V HN 0.171 nan 8.190 nan 0.000 0.471 94 V N 6.787 126.740 119.914 0.065 0.000 2.368 94 V HA 0.206 4.329 4.120 0.005 0.000 0.266 94 V C 0.191 176.300 176.094 0.025 0.000 1.045 94 V CA -0.324 62.000 62.300 0.040 0.000 0.899 94 V CB 1.329 33.166 31.823 0.023 0.000 1.006 94 V HN 0.616 nan 8.190 nan 0.000 0.470 95 V N 7.366 127.292 119.914 0.021 0.000 2.461 95 V HA 0.409 4.533 4.120 0.005 0.000 0.275 95 V C 0.080 176.068 176.094 -0.175 0.000 1.047 95 V CA -0.165 62.124 62.300 -0.020 0.000 0.955 95 V CB 1.284 33.139 31.823 0.053 0.000 0.988 95 V HN 0.654 nan 8.190 nan 0.000 0.471 96 I N 4.317 124.767 120.570 -0.200 0.000 2.411 96 I HA 0.373 4.546 4.170 0.005 0.000 0.284 96 I C -0.002 175.922 176.117 -0.322 0.000 1.012 96 I CA 0.025 61.112 61.300 -0.355 0.000 1.119 96 I CB 1.748 39.500 38.000 -0.412 0.000 1.261 96 I HN 0.597 nan 8.210 nan 0.000 0.448 97 S N 4.181 119.656 115.700 -0.374 0.000 2.472 97 S HA 0.728 5.201 4.470 0.005 0.000 0.303 97 S C 0.192 174.701 174.600 -0.151 0.000 1.099 97 S CA -0.498 57.588 58.200 -0.191 0.000 1.077 97 S CB 1.443 64.567 63.200 -0.126 0.000 1.031 97 S HN 0.720 nan 8.310 nan 0.000 0.487 98 G N 1.995 110.797 108.800 0.002 0.000 2.634 98 G HA2 0.640 4.603 3.960 0.005 0.000 0.255 98 G HA3 0.640 4.603 3.960 0.005 0.000 0.255 98 G C -0.290 174.630 174.900 0.034 0.000 1.205 98 G CA 0.040 45.173 45.100 0.054 0.000 0.884 98 G HN 1.247 nan 8.290 nan 0.000 0.549 99 A N 0.611 123.376 122.820 -0.092 0.000 2.601 99 A HA 0.797 5.121 4.320 0.005 0.000 0.291 99 A C -3.050 174.218 177.584 -0.527 0.000 1.075 99 A CA -1.142 50.578 52.037 -0.528 0.000 0.671 99 A CB 1.071 19.813 19.000 -0.429 0.000 1.277 99 A HN 0.504 nan 8.150 nan 0.000 0.417 100 P HA 0.281 nan 4.420 nan 0.000 0.268 100 P C 0.584 177.783 177.300 -0.168 0.000 1.208 100 P CA 0.657 63.485 63.100 -0.453 0.000 0.777 100 P CB 0.529 31.899 31.700 -0.550 0.000 0.875 101 G N 0.596 109.393 108.800 -0.005 0.000 2.554 101 G HA2 0.144 4.107 3.960 0.005 0.000 0.238 101 G HA3 0.144 4.107 3.960 0.005 0.000 0.238 101 G C 1.245 176.120 174.900 -0.042 0.000 1.259 101 G CA 0.064 45.160 45.100 -0.007 0.000 0.843 101 G HN 0.566 nan 8.290 nan 0.000 0.582 102 T N -2.466 112.065 114.554 -0.038 0.000 2.977 102 T HA -0.159 4.194 4.350 0.005 0.000 0.271 102 T C 1.704 176.386 174.700 -0.030 0.000 1.105 102 T CA 1.797 63.871 62.100 -0.043 0.000 1.116 102 T CB -0.312 68.535 68.868 -0.035 0.000 0.878 102 T HN 0.765 nan 8.240 nan 0.000 0.509 103 T N -0.600 113.945 114.554 -0.015 0.000 3.266 103 T HA 0.346 4.700 4.350 0.005 0.000 0.278 103 T C 0.717 175.418 174.700 0.002 0.000 1.010 103 T CA -0.229 61.867 62.100 -0.007 0.000 0.909 103 T CB -0.125 68.742 68.868 -0.002 0.000 1.122 103 T HN 0.742 nan 8.240 nan 0.000 0.536 104 E N 0.195 120.396 120.200 0.001 0.000 2.676 104 E HA 0.481 4.834 4.350 0.005 0.000 0.222 104 E C 1.179 177.787 176.600 0.014 0.000 0.968 104 E CA -0.455 55.957 56.400 0.019 0.000 1.090 104 E CB -0.097 29.631 29.700 0.048 0.000 1.066 104 E HN 0.423 nan 8.360 nan 0.000 0.496 105 G N 0.702 109.495 108.800 -0.012 0.000 2.578 105 G HA2 -0.247 3.717 3.960 0.005 0.000 0.275 105 G HA3 -0.247 3.717 3.960 0.005 0.000 0.275 105 G C -0.039 174.841 174.900 -0.032 0.000 1.271 105 G CA 0.096 45.186 45.100 -0.017 0.000 0.941 105 G HN 0.949 nan 8.290 nan 0.000 0.564 106 N N -2.105 116.592 118.700 -0.004 0.000 3.106 106 N HA 0.925 5.668 4.740 0.005 0.000 0.253 106 N C -0.163 175.389 175.510 0.070 0.000 1.506 106 N CA 0.550 53.603 53.050 0.005 0.000 0.876 106 N CB 1.013 39.480 38.487 -0.033 0.000 1.452 106 N HN 2.396 nan 8.380 nan 0.000 0.542 107 A N 0.357 123.248 122.820 0.118 0.000 2.506 107 A HA 0.619 4.942 4.320 0.005 0.000 0.320 107 A C 1.168 178.822 177.584 0.118 0.000 1.424 107 A CA 0.162 52.274 52.037 0.125 0.000 1.044 107 A CB -1.018 18.080 19.000 0.163 0.000 1.140 107 A HN 1.743 nan 8.150 nan 0.000 0.538 108 G N 2.168 111.020 108.800 0.087 0.000 3.084 108 G HA2 0.274 4.237 3.960 0.005 0.000 0.254 108 G HA3 0.274 4.237 3.960 0.005 0.000 0.254 108 G C 0.657 175.598 174.900 0.068 0.000 0.834 108 G CA -0.135 45.011 45.100 0.077 0.000 1.999 108 G HN 0.741 nan 8.290 nan 0.000 0.611 109 L N -0.431 120.840 121.223 0.080 0.000 2.313 109 L HA 0.151 4.494 4.340 0.005 0.000 0.214 109 L C 2.149 179.044 176.870 0.040 0.000 1.119 109 L CA 0.596 55.472 54.840 0.060 0.000 0.809 109 L CB 0.019 42.119 42.059 0.069 0.000 0.933 109 L HN 0.389 nan 8.230 nan 0.000 0.449 110 L N -0.460 120.794 121.223 0.051 0.000 2.693 110 L HA 0.321 4.665 4.340 0.005 0.000 0.235 110 L C 0.621 177.509 176.870 0.031 0.000 1.127 110 L CA -0.158 54.697 54.840 0.026 0.000 0.914 110 L CB -0.048 42.028 42.059 0.027 0.000 1.193 110 L HN 0.166 nan 8.230 nan 0.000 0.502 118 L N 1.521 122.649 121.223 -0.160 0.000 2.728 118 L HA 0.509 4.852 4.340 0.005 0.000 0.238 118 L C 0.792 177.692 176.870 0.050 0.000 1.143 118 L CA 0.449 55.273 54.840 -0.027 0.000 0.937 118 L CB -0.979 41.068 42.059 -0.020 0.000 1.225 118 L HN 0.926 nan 8.230 nan 0.000 0.507 119 D N -1.328 119.119 120.400 0.077 0.000 2.399 119 D HA -0.001 4.642 4.640 0.005 0.000 0.241 119 D C 0.895 177.315 176.300 0.199 0.000 1.133 119 D CA 0.469 54.558 54.000 0.148 0.000 0.890 119 D CB 0.955 41.876 40.800 0.201 0.000 1.201 119 D HN 0.167 nan 8.370 nan 0.000 0.432 120 T N 1.094 115.761 114.554 0.188 0.000 2.653 120 T HA -0.301 4.052 4.350 0.005 0.000 0.268 120 T C 1.739 176.613 174.700 0.289 0.000 1.035 120 T CA 2.141 64.368 62.100 0.212 0.000 1.154 120 T CB -0.274 68.716 68.868 0.203 0.000 0.862 120 T HN 0.613 nan 8.240 nan 0.000 0.441 121 Q N -0.417 119.546 119.800 0.272 0.000 2.061 121 Q HA -0.136 4.207 4.340 0.005 0.000 0.204 121 Q C 2.088 178.155 176.000 0.112 0.000 0.984 121 Q CA 1.592 57.431 55.803 0.060 0.000 0.846 121 Q CB -0.332 28.232 28.738 -0.289 0.000 0.902 121 Q HN 0.580 nan 8.270 nan 0.000 0.421 122 F N 0.839 120.821 119.950 0.052 0.000 2.134 122 F HA -0.246 4.284 4.527 0.005 0.000 0.299 122 F C 2.357 178.166 175.800 0.015 0.000 1.097 122 F CA 1.439 59.462 58.000 0.038 0.000 1.264 122 F CB 0.066 39.152 39.000 0.142 0.000 1.001 122 F HN 0.159 nan 8.300 nan 0.000 0.479 123 Q N -0.183 119.797 119.800 0.300 0.000 2.170 123 Q HA -0.129 4.215 4.340 0.005 0.000 0.203 123 Q C 2.520 178.547 176.000 0.045 0.000 0.976 123 Q CA 1.410 57.321 55.803 0.181 0.000 0.858 123 Q CB -0.907 27.922 28.738 0.151 0.000 0.907 123 Q HN 0.375 nan 8.270 nan 0.000 0.433 124 V N 0.108 120.041 119.914 0.031 0.000 2.323 124 V HA -0.187 3.936 4.120 0.005 0.000 0.244 124 V C 1.943 177.869 176.094 -0.280 0.000 1.041 124 V CA 1.414 63.664 62.300 -0.084 0.000 1.025 124 V CB -0.609 31.225 31.823 0.018 0.000 0.656 124 V HN 0.164 nan 8.190 nan 0.000 0.451 125 F N 0.811 120.540 119.950 -0.368 0.000 2.293 125 F HA -0.141 4.390 4.527 0.006 0.000 0.300 125 F C 2.608 178.171 175.800 -0.396 0.000 1.086 125 F CA 1.672 59.356 58.000 -0.526 0.000 1.375 125 F CB -0.421 37.887 39.000 -1.154 0.000 1.045 125 F HN 0.014 nan 8.300 nan 0.000 0.516 126 K N 0.216 120.495 120.400 -0.201 0.000 2.283 126 K HA -0.107 4.216 4.320 0.005 0.000 0.202 126 K C 1.736 178.285 176.600 -0.084 0.000 1.048 126 K CA 1.268 57.489 56.287 -0.109 0.000 0.948 126 K CB -0.411 32.085 32.500 -0.007 0.000 0.742 126 K HN 0.295 nan 8.250 nan 0.000 0.458 127 E N 0.193 120.311 120.200 -0.137 0.000 2.358 127 E HA 0.040 4.393 4.350 0.005 0.000 0.195 127 E C 1.540 177.972 176.600 -0.279 0.000 1.010 127 E CA 1.191 57.490 56.400 -0.168 0.000 0.856 127 E CB 0.080 29.685 29.700 -0.159 0.000 0.795 127 E HN 0.826 nan 8.360 nan 0.000 0.504 128 I N -1.779 118.625 120.570 -0.277 0.000 3.817 128 I HA 0.240 4.413 4.170 0.005 0.000 0.325 128 I C 0.001 176.082 176.117 -0.060 0.000 1.550 128 I CA -0.385 60.714 61.300 -0.336 0.000 1.100 128 I CB 0.593 38.415 38.000 -0.296 0.000 1.216 128 I HN -0.240 nan 8.210 nan 0.000 0.481 129 T N -1.785 112.802 114.554 0.055 0.000 2.896 129 T HA 0.453 4.806 4.350 0.005 0.000 0.297 129 T C 0.668 175.544 174.700 0.293 0.000 1.108 129 T CA -0.071 62.183 62.100 0.256 0.000 1.004 129 T CB 2.077 71.060 68.868 0.191 0.000 1.159 129 T HN 0.030 nan 8.240 nan 0.000 0.499 130 V N -1.988 118.099 119.914 0.288 0.000 3.506 130 V HA 0.718 4.841 4.120 0.005 0.000 0.263 130 V C 0.686 176.902 176.094 0.204 0.000 1.203 130 V CA 0.550 63.002 62.300 0.253 0.000 1.133 130 V CB -1.040 30.897 31.823 0.189 0.000 0.802 130 V HN 1.324 nan 8.190 nan 0.000 0.459 131 A N -0.069 122.855 122.820 0.173 0.000 2.605 131 A HA 0.854 5.178 4.320 0.005 0.000 0.294 131 A C -1.479 176.182 177.584 0.128 0.000 1.062 131 A CA -0.687 51.443 52.037 0.154 0.000 0.682 131 A CB 1.883 20.985 19.000 0.170 0.000 1.278 131 A HN 0.361 nan 8.150 nan 0.000 0.410 132 Q N -0.620 119.256 119.800 0.127 0.000 2.456 132 Q HA 0.868 5.211 4.340 0.005 0.000 0.284 132 Q C -0.759 175.357 176.000 0.192 0.000 1.061 132 Q CA -0.000 55.867 55.803 0.107 0.000 0.799 132 Q CB 2.359 31.052 28.738 -0.075 0.000 1.445 132 Q HN 1.948 nan 8.270 nan 0.000 0.411 133 A N 0.898 123.819 122.820 0.169 0.000 2.566 133 A HA 0.770 5.094 4.320 0.005 0.000 0.297 133 A C -1.623 176.067 177.584 0.177 0.000 1.059 133 A CA -0.710 51.444 52.037 0.194 0.000 0.691 133 A CB 1.646 20.691 19.000 0.076 0.000 1.282 133 A HN 0.561 nan 8.150 nan 0.000 0.401 134 R N 2.820 123.436 120.500 0.193 0.000 2.246 134 R HA 0.535 4.878 4.340 0.005 0.000 0.332 134 R C -1.185 175.119 176.300 0.007 0.000 0.974 134 R CA -0.604 55.554 56.100 0.096 0.000 0.837 134 R CB 0.390 30.723 30.300 0.055 0.000 1.145 134 R HN 0.700 nan 8.270 nan 0.000 0.467 135 L N 5.864 127.066 121.223 -0.036 0.000 2.423 135 L HA 0.147 4.491 4.340 0.005 0.000 0.249 135 L C 0.154 177.002 176.870 -0.036 0.000 1.276 135 L CA -0.157 54.661 54.840 -0.037 0.000 1.199 135 L CB 0.017 42.044 42.059 -0.053 0.000 1.407 135 L HN 0.694 nan 8.230 nan 0.000 0.410 136 D N -1.876 118.505 120.400 -0.032 0.000 2.402 136 D HA 0.036 4.679 4.640 0.005 0.000 0.216 136 D C 0.121 176.406 176.300 -0.026 0.000 1.128 136 D CA -0.158 53.822 54.000 -0.034 0.000 0.833 136 D CB 0.380 41.154 40.800 -0.045 0.000 0.971 136 D HN 0.118 nan 8.370 nan 0.000 0.503 137 D N 0.805 121.193 120.400 -0.020 0.000 2.402 137 D HA 0.148 4.791 4.640 0.005 0.000 0.252 137 D C -1.814 174.479 176.300 -0.012 0.000 1.294 137 D CA -1.879 52.111 54.000 -0.016 0.000 0.948 137 D CB 2.368 43.158 40.800 -0.016 0.000 1.202 137 D HN -0.205 nan 8.370 nan 0.000 0.561 138 P HA -0.144 nan 4.420 nan 0.000 0.217 138 P C 1.097 178.391 177.300 -0.009 0.000 1.148 138 P CA 0.779 63.874 63.100 -0.008 0.000 0.828 138 P CB 0.344 32.040 31.700 -0.007 0.000 0.783 139 A N 0.199 123.013 122.820 -0.010 0.000 2.014 139 A HA -0.109 4.215 4.320 0.005 0.000 0.218 139 A C 2.121 179.700 177.584 -0.008 0.000 1.163 139 A CA 1.359 53.390 52.037 -0.010 0.000 0.652 139 A CB -0.710 18.284 19.000 -0.011 0.000 0.808 139 A HN 0.208 nan 8.150 nan 0.000 0.449 140 K N -0.754 119.641 120.400 -0.007 0.000 2.354 140 K HA 0.331 4.654 4.320 0.005 0.000 0.194 140 K C 2.044 178.643 176.600 -0.002 0.000 1.038 140 K CA 0.497 56.782 56.287 -0.004 0.000 1.052 140 K CB 0.073 32.570 32.500 -0.005 0.000 0.861 140 K HN 0.352 nan 8.250 nan 0.000 0.535 141 A N 2.668 125.486 122.820 -0.004 0.000 1.892 141 A HA -0.121 4.202 4.320 0.005 0.000 0.218 141 A C -0.606 176.979 177.584 0.001 0.000 1.188 141 A CA 1.436 53.471 52.037 -0.003 0.000 0.631 141 A CB -1.394 17.603 19.000 -0.005 0.000 0.822 141 A HN 0.102 nan 8.150 nan 0.000 0.447 142 P HA -0.172 nan 4.420 nan 0.000 0.215 142 P C 1.791 179.097 177.300 0.010 0.000 1.157 142 P CA 2.158 65.261 63.100 0.005 0.000 0.874 142 P CB -0.131 31.571 31.700 0.002 0.000 0.790 143 A N -0.369 122.457 122.820 0.009 0.000 1.898 143 A HA -0.195 4.128 4.320 0.005 0.000 0.216 143 A C 2.198 179.794 177.584 0.020 0.000 1.181 143 A CA 1.431 53.476 52.037 0.014 0.000 0.620 143 A CB -1.056 17.950 19.000 0.009 0.000 0.819 143 A HN 0.067 nan 8.150 nan 0.000 0.442 144 E N 0.116 120.326 120.200 0.017 0.000 2.051 144 E HA -0.160 4.193 4.350 0.005 0.000 0.192 144 E C 1.997 178.613 176.600 0.027 0.000 0.991 144 E CA 1.152 57.567 56.400 0.024 0.000 0.799 144 E CB -0.434 29.278 29.700 0.019 0.000 0.748 144 E HN 0.725 nan 8.360 nan 0.000 0.449 145 I N 1.143 121.723 120.570 0.016 0.000 2.163 145 I HA -0.297 3.876 4.170 0.005 0.000 0.243 145 I C 2.528 178.663 176.117 0.030 0.000 1.085 145 I CA 1.265 62.574 61.300 0.014 0.000 1.347 145 I CB -0.399 37.605 38.000 0.007 0.000 1.044 145 I HN 0.010 nan 8.210 nan 0.000 0.408 146 A N 0.671 123.510 122.820 0.033 0.000 1.908 146 A HA -0.261 4.063 4.320 0.005 0.000 0.218 146 A C 2.453 180.079 177.584 0.070 0.000 1.181 146 A CA 1.927 53.991 52.037 0.044 0.000 0.627 146 A CB -0.682 18.341 19.000 0.038 0.000 0.818 146 A HN 0.392 nan 8.150 nan 0.000 0.445 147 R N -0.437 120.105 120.500 0.070 0.000 2.073 147 R HA -0.088 4.256 4.340 0.005 0.000 0.234 147 R C 1.931 178.309 176.300 0.131 0.000 1.134 147 R CA 1.882 58.042 56.100 0.100 0.000 0.952 147 R CB -0.412 29.928 30.300 0.068 0.000 0.850 147 R HN 0.293 nan 8.270 nan 0.000 0.433 148 V N 1.490 121.461 119.914 0.095 0.000 2.307 148 V HA -0.217 3.906 4.120 0.005 0.000 0.245 148 V C 2.396 178.542 176.094 0.087 0.000 1.045 148 V CA 1.580 63.937 62.300 0.096 0.000 1.024 148 V CB -0.372 31.486 31.823 0.058 0.000 0.651 148 V HN 0.344 nan 8.190 nan 0.000 0.449 149 L N 0.422 121.682 121.223 0.062 0.000 2.141 149 L HA -0.057 4.286 4.340 0.005 0.000 0.209 149 L C 2.607 179.507 176.870 0.051 0.000 1.094 149 L CA 1.580 56.448 54.840 0.046 0.000 0.763 149 L CB -1.141 40.937 42.059 0.032 0.000 0.908 149 L HN 0.487 nan 8.230 nan 0.000 0.437 150 G N -0.286 108.564 108.800 0.084 0.000 2.422 150 G HA2 -0.184 3.779 3.960 0.005 0.000 0.218 150 G HA3 -0.184 3.779 3.960 0.005 0.000 0.218 150 G C 1.779 176.728 174.900 0.081 0.000 1.140 150 G CA 0.758 45.914 45.100 0.094 0.000 0.775 150 G HN 0.452 nan 8.290 nan 0.000 0.545 151 A N 1.138 124.073 122.820 0.192 0.000 1.930 151 A HA 0.359 4.683 4.320 0.005 0.000 0.217 151 A C 2.784 180.365 177.584 -0.006 0.000 1.175 151 A CA 1.971 54.140 52.037 0.220 0.000 0.627 151 A CB -0.674 18.540 19.000 0.356 0.000 0.815 151 A HN 0.690 nan 8.150 nan 0.000 0.443 152 A N -0.191 122.641 122.820 0.020 0.000 1.933 152 A HA -0.144 4.179 4.320 0.005 0.000 0.218 152 A C 2.222 179.777 177.584 -0.049 0.000 1.175 152 A CA 1.659 53.691 52.037 -0.008 0.000 0.628 152 A CB -0.362 18.650 19.000 0.020 0.000 0.814 152 A HN 0.519 nan 8.150 nan 0.000 0.444 153 R N -0.779 119.683 120.500 -0.063 0.000 2.153 153 R HA 0.151 4.494 4.340 0.005 0.000 0.218 153 R C 2.288 178.496 176.300 -0.154 0.000 1.072 153 R CA 0.948 57.011 56.100 -0.060 0.000 0.990 153 R CB -0.279 29.991 30.300 -0.050 0.000 0.889 153 R HN 0.483 nan 8.270 nan 0.000 0.452 154 A N 0.167 122.753 122.820 -0.390 0.000 1.970 154 A HA -0.060 4.263 4.320 0.005 0.000 0.216 154 A C 1.648 178.888 177.584 -0.573 0.000 1.170 154 A CA 0.965 52.563 52.037 -0.731 0.000 0.645 154 A CB 0.184 18.182 19.000 -1.671 0.000 0.816 154 A HN 0.122 nan 8.150 nan 0.000 0.447 155 Q N -1.484 118.088 119.800 -0.380 0.000 2.189 155 Q HA 0.169 4.512 4.340 0.005 0.000 0.223 155 Q C 0.156 176.079 176.000 -0.127 0.000 0.828 155 Q CA 0.615 56.277 55.803 -0.236 0.000 0.967 155 Q CB 0.764 29.349 28.738 -0.254 0.000 1.139 155 Q HN 0.492 nan 8.270 nan 0.000 0.497 156 S N 1.179 116.840 115.700 -0.066 0.000 3.711 156 S HA -0.155 4.318 4.470 0.005 0.000 0.374 156 S C -0.495 174.006 174.600 -0.164 0.000 0.969 156 S CA 0.521 58.654 58.200 -0.112 0.000 1.198 156 S CB -0.561 62.490 63.200 -0.248 0.000 0.903 156 S HN 0.281 nan 8.310 nan 0.000 0.493 157 R N 0.099 120.510 120.500 -0.147 0.000 2.774 157 R HA 0.494 4.837 4.340 0.005 0.000 0.272 157 R C -3.119 173.155 176.300 -0.043 0.000 1.000 157 R CA -2.221 53.762 56.100 -0.195 0.000 0.906 157 R CB 0.850 30.929 30.300 -0.368 0.000 1.227 157 R HN 0.121 nan 8.270 nan 0.000 0.468 158 P HA 0.051 nan 4.420 nan 0.000 0.269 158 P C -0.486 176.898 177.300 0.141 0.000 1.215 158 P CA -0.266 62.898 63.100 0.108 0.000 0.780 158 P CB 0.639 32.436 31.700 0.161 0.000 0.898 159 V N -0.437 119.554 119.914 0.128 0.000 3.141 159 V HA 0.654 4.778 4.120 0.005 0.000 0.312 159 V C -1.522 174.663 176.094 0.152 0.000 1.157 159 V CA -1.021 61.358 62.300 0.132 0.000 1.041 159 V CB 2.122 33.997 31.823 0.087 0.000 1.071 159 V HN 0.416 nan 8.190 nan 0.000 0.441 160 Y N 1.679 121.951 120.300 -0.046 0.000 2.361 160 Y HA 0.820 5.374 4.550 0.006 0.000 0.337 160 Y C -1.295 174.512 175.900 -0.155 0.000 0.965 160 Y CA -1.216 56.793 58.100 -0.151 0.000 1.091 160 Y CB 1.801 40.127 38.460 -0.223 0.000 1.182 160 Y HN 0.777 nan 8.280 nan 0.000 0.450 161 L N 6.100 126.876 121.223 -0.745 0.000 2.381 161 L HA 0.491 4.834 4.340 0.005 0.000 0.274 161 L C -0.867 175.485 176.870 -0.865 0.000 0.988 161 L CA -0.731 53.741 54.840 -0.613 0.000 0.824 161 L CB 2.178 44.035 42.059 -0.336 0.000 1.263 161 L HN 0.630 nan 8.230 nan 0.000 0.410 162 E N 4.417 124.224 120.200 -0.654 0.000 2.145 162 E HA 0.522 4.875 4.350 0.005 0.000 0.270 162 E C -1.270 175.186 176.600 -0.239 0.000 0.906 162 E CA -0.561 55.573 56.400 -0.444 0.000 0.761 162 E CB 1.454 31.045 29.700 -0.180 0.000 1.116 162 E HN 0.497 nan 8.360 nan 0.000 0.408 163 I N 6.501 126.931 120.570 -0.234 0.000 2.390 163 I HA 0.303 4.476 4.170 0.005 0.000 0.283 163 I C -2.268 173.786 176.117 -0.105 0.000 1.016 163 I CA -2.516 58.685 61.300 -0.165 0.000 1.151 163 I CB 1.503 39.376 38.000 -0.211 0.000 1.293 163 I HN 0.337 nan 8.210 nan 0.000 0.458 164 P HA 0.009 nan 4.420 nan 0.000 0.265 164 P C 0.570 177.864 177.300 -0.009 0.000 1.187 164 P CA -0.149 62.905 63.100 -0.077 0.000 0.766 164 P CB 0.508 32.166 31.700 -0.070 0.000 0.820 165 R N 3.392 123.916 120.500 0.040 0.000 2.193 165 R HA -0.154 4.189 4.340 0.005 0.000 0.229 165 R C 1.114 177.455 176.300 0.069 0.000 1.110 165 R CA 1.572 57.728 56.100 0.092 0.000 0.988 165 R CB -0.894 29.496 30.300 0.151 0.000 0.871 165 R HN 0.413 nan 8.270 nan 0.000 0.458 166 N N 0.441 119.167 118.700 0.044 0.000 2.461 166 N HA -0.068 4.675 4.740 0.005 0.000 0.188 166 N C 0.997 176.523 175.510 0.026 0.000 1.134 166 N CA 0.617 53.688 53.050 0.034 0.000 0.878 166 N CB 0.133 38.634 38.487 0.023 0.000 0.972 166 N HN 0.266 nan 8.380 nan 0.000 0.456 167 M N -0.015 119.600 119.600 0.024 0.000 2.414 167 M HA 0.161 4.644 4.480 0.005 0.000 0.251 167 M C 1.729 178.053 176.300 0.039 0.000 1.116 167 M CA 0.014 55.326 55.300 0.019 0.000 1.056 167 M CB -0.201 32.398 32.600 -0.001 0.000 1.388 167 M HN -0.087 nan 8.290 nan 0.000 0.487 168 V N 1.890 121.844 119.914 0.067 0.000 2.324 168 V HA -0.281 3.842 4.120 0.005 0.000 0.250 168 V C 1.721 177.863 176.094 0.080 0.000 1.060 168 V CA 1.661 64.028 62.300 0.112 0.000 1.042 168 V CB -0.606 31.312 31.823 0.159 0.000 0.650 168 V HN 0.519 nan 8.190 nan 0.000 0.450 169 N N -0.161 118.572 118.700 0.056 0.000 2.270 169 N HA 0.219 4.962 4.740 0.005 0.000 0.198 169 N C 0.467 175.995 175.510 0.029 0.000 1.117 169 N CA 0.465 53.539 53.050 0.039 0.000 0.845 169 N CB 0.392 38.899 38.487 0.034 0.000 0.980 169 N HN 0.456 nan 8.380 nan 0.000 0.486 170 A N 1.176 124.012 122.820 0.027 0.000 2.450 170 A HA 0.096 4.419 4.320 0.005 0.000 0.255 170 A C 0.463 178.054 177.584 0.012 0.000 1.096 170 A CA -0.143 51.903 52.037 0.016 0.000 0.778 170 A CB 0.349 19.355 19.000 0.010 0.000 1.031 170 A HN 0.194 nan 8.150 nan 0.000 0.494 171 E N 0.374 120.576 120.200 0.004 0.000 2.384 171 E HA 0.335 4.688 4.350 0.005 0.000 0.266 171 E C -0.056 176.537 176.600 -0.013 0.000 1.012 171 E CA 0.173 56.569 56.400 -0.006 0.000 0.901 171 E CB 0.794 30.479 29.700 -0.025 0.000 0.967 171 E HN 0.630 nan 8.360 nan 0.000 0.435 172 V N -0.302 119.605 119.914 -0.012 0.000 3.114 172 V HA 0.429 4.552 4.120 0.005 0.000 0.308 172 V C -0.408 175.676 176.094 -0.017 0.000 1.168 172 V CA -1.129 61.163 62.300 -0.012 0.000 1.015 172 V CB 1.943 33.765 31.823 -0.002 0.000 1.050 172 V HN 0.567 nan 8.190 nan 0.000 0.433 173 E N 1.823 122.013 120.200 -0.017 0.000 2.374 173 E HA 0.394 4.748 4.350 0.005 0.000 0.260 173 E C -2.492 174.104 176.600 -0.006 0.000 1.101 173 E CA -1.649 54.742 56.400 -0.016 0.000 0.907 173 E CB 0.786 30.477 29.700 -0.016 0.000 1.014 173 E HN 0.612 nan 8.360 nan 0.000 0.427 174 P HA -0.050 nan 4.420 nan 0.000 0.267 174 P C -0.825 176.477 177.300 0.003 0.000 1.200 174 P CA 0.024 63.124 63.100 0.001 0.000 0.772 174 P CB 0.431 32.132 31.700 0.002 0.000 0.855 175 V N 3.200 123.118 119.914 0.006 0.000 2.508 175 V HA 0.317 4.441 4.120 0.005 0.000 0.281 175 V C 1.295 177.395 176.094 0.010 0.000 1.041 175 V CA 0.448 62.753 62.300 0.009 0.000 1.016 175 V CB 0.392 32.222 31.823 0.012 0.000 0.984 175 V HN 0.767 nan 8.190 nan 0.000 0.478 176 G N 3.512 112.320 108.800 0.012 0.000 2.509 176 G HA2 0.286 4.249 3.960 0.005 0.000 0.269 176 G HA3 0.286 4.249 3.960 0.005 0.000 0.269 176 G C -0.389 174.521 174.900 0.018 0.000 1.416 176 G CA -0.554 44.554 45.100 0.013 0.000 1.052 176 G HN 0.629 nan 8.290 nan 0.000 0.542 177 D N 0.120 120.532 120.400 0.019 0.000 2.358 177 D HA 0.241 4.884 4.640 0.005 0.000 0.244 177 D C -0.089 176.232 176.300 0.035 0.000 1.163 177 D CA -0.104 53.910 54.000 0.023 0.000 0.945 177 D CB 0.546 41.358 40.800 0.020 0.000 1.152 177 D HN 0.117 nan 8.370 nan 0.000 0.451 178 D N 1.366 121.791 120.400 0.042 0.000 2.455 178 D HA 0.118 4.761 4.640 0.005 0.000 0.241 178 D C -1.770 174.583 176.300 0.088 0.000 1.138 178 D CA -0.659 53.382 54.000 0.069 0.000 0.877 178 D CB -0.067 40.773 40.800 0.066 0.000 1.187 178 D HN 0.137 nan 8.370 nan 0.000 0.451 179 P HA 0.184 nan 4.420 nan 0.000 0.272 179 P C -0.905 176.494 177.300 0.165 0.000 1.223 179 P CA -0.523 62.636 63.100 0.098 0.000 0.784 179 P CB 0.654 32.395 31.700 0.068 0.000 0.923 180 A N 2.284 125.175 122.820 0.118 0.000 2.401 180 A HA 0.317 4.640 4.320 0.005 0.000 0.259 180 A C -0.702 177.005 177.584 0.206 0.000 1.103 180 A CA -0.369 51.762 52.037 0.155 0.000 0.789 180 A CB -0.233 18.816 19.000 0.082 0.000 1.035 180 A HN 0.487 nan 8.150 nan 0.000 0.491 181 W N 1.736 123.021 121.300 -0.026 0.000 2.449 181 W HA 0.534 5.197 4.660 0.005 0.000 0.331 181 W C -1.985 174.520 176.519 -0.024 0.000 1.119 181 W CA -1.746 55.583 57.345 -0.025 0.000 1.240 181 W CB 0.175 29.612 29.460 -0.038 0.000 1.251 181 W HN 0.486 nan 8.180 nan 0.000 0.576 182 P HA 0.095 nan 4.420 nan 0.000 0.266 182 P C -1.043 176.318 177.300 0.101 0.000 1.193 182 P CA 0.060 63.209 63.100 0.082 0.000 0.770 182 P CB 0.426 32.148 31.700 0.036 0.000 0.836 183 V N 2.565 122.517 119.914 0.064 0.000 2.577 183 V HA 0.124 4.247 4.120 0.005 0.000 0.294 183 V C -0.583 175.535 176.094 0.039 0.000 1.052 183 V CA -0.565 61.764 62.300 0.049 0.000 0.891 183 V CB 1.767 33.610 31.823 0.033 0.000 1.017 183 V HN 0.520 nan 8.190 nan 0.000 0.436 184 D N 4.757 125.185 120.400 0.046 0.000 2.422 184 D HA 0.193 4.836 4.640 0.005 0.000 0.227 184 D C 1.366 177.685 176.300 0.032 0.000 1.190 184 D CA -0.325 53.703 54.000 0.046 0.000 0.905 184 D CB 0.846 41.688 40.800 0.070 0.000 1.034 184 D HN 0.301 nan 8.370 nan 0.000 0.507 185 R N 2.580 123.093 120.500 0.021 0.000 2.120 185 R HA -0.099 4.244 4.340 0.005 0.000 0.234 185 R C 0.904 177.207 176.300 0.006 0.000 1.123 185 R CA 0.828 56.933 56.100 0.008 0.000 0.975 185 R CB -0.054 30.250 30.300 0.007 0.000 0.866 185 R HN 0.541 nan 8.270 nan 0.000 0.446 186 D N 0.693 121.105 120.400 0.020 0.000 2.123 186 D HA -0.048 4.596 4.640 0.005 0.000 0.200 186 D C 1.830 178.146 176.300 0.027 0.000 0.976 186 D CA 1.344 55.359 54.000 0.024 0.000 0.831 186 D CB -0.142 40.680 40.800 0.038 0.000 0.974 186 D HN 0.146 nan 8.370 nan 0.000 0.469 187 A N 1.202 124.056 122.820 0.057 0.000 1.933 187 A HA -0.148 4.175 4.320 0.005 0.000 0.218 187 A C 2.177 179.687 177.584 -0.124 0.000 1.175 187 A CA 0.929 53.017 52.037 0.086 0.000 0.628 187 A CB -0.696 18.429 19.000 0.208 0.000 0.814 187 A HN 0.209 nan 8.150 nan 0.000 0.444 188 L N -0.158 121.018 121.223 -0.078 0.000 2.042 188 L HA -0.111 4.232 4.340 0.005 0.000 0.210 188 L C 2.655 179.443 176.870 -0.137 0.000 1.076 188 L CA 2.294 57.065 54.840 -0.114 0.000 0.749 188 L CB -0.874 41.155 42.059 -0.050 0.000 0.893 188 L HN 0.349 nan 8.230 nan 0.000 0.432 189 A N -0.581 122.187 122.820 -0.087 0.000 1.877 189 A HA -0.073 4.251 4.320 0.005 0.000 0.216 189 A C 2.449 179.974 177.584 -0.098 0.000 1.186 189 A CA 1.893 53.887 52.037 -0.070 0.000 0.620 189 A CB -1.247 17.734 19.000 -0.032 0.000 0.822 189 A HN 0.573 nan 8.150 nan 0.000 0.443 190 A N -1.160 121.599 122.820 -0.102 0.000 1.902 190 A HA -0.199 4.124 4.320 0.005 0.000 0.217 190 A C 2.406 179.849 177.584 -0.236 0.000 1.181 190 A CA 1.711 53.701 52.037 -0.079 0.000 0.623 190 A CB -1.412 17.627 19.000 0.066 0.000 0.818 190 A HN 0.793 nan 8.150 nan 0.000 0.443 191 C N -0.665 118.270 119.300 -0.608 0.000 2.432 191 C HA 0.061 4.524 4.460 0.005 0.000 0.277 191 C C 3.172 177.965 174.990 -0.328 0.000 1.249 191 C CA 1.326 59.861 59.018 -0.805 0.000 1.725 191 C CB -1.340 25.800 27.740 -1.000 0.000 2.028 191 C HN 0.684 nan 8.230 nan 0.000 0.477 192 A N 0.329 123.013 122.820 -0.227 0.000 1.908 192 A HA -0.191 4.132 4.320 0.005 0.000 0.218 192 A C 1.876 179.399 177.584 -0.102 0.000 1.181 192 A CA 2.343 54.302 52.037 -0.129 0.000 0.627 192 A CB -0.755 18.197 19.000 -0.080 0.000 0.818 192 A HN 0.676 nan 8.150 nan 0.000 0.445 193 D N -0.773 119.575 120.400 -0.086 0.000 2.117 193 D HA -0.141 4.503 4.640 0.005 0.000 0.198 193 D C 1.912 178.185 176.300 -0.045 0.000 0.982 193 D CA 1.439 55.410 54.000 -0.049 0.000 0.828 193 D CB -0.377 40.408 40.800 -0.026 0.000 0.967 193 D HN 0.708 nan 8.370 nan 0.000 0.464 194 E N 0.441 120.616 120.200 -0.040 0.000 2.077 194 E HA -0.130 4.224 4.350 0.005 0.000 0.193 194 E C 2.139 178.697 176.600 -0.070 0.000 0.989 194 E CA 0.611 57.007 56.400 -0.006 0.000 0.800 194 E CB 0.209 29.964 29.700 0.092 0.000 0.746 194 E HN -0.015 nan 8.360 nan 0.000 0.452 195 V N 1.414 121.242 119.914 -0.144 0.000 2.287 195 V HA -0.286 3.837 4.120 0.005 0.000 0.248 195 V C 2.449 178.422 176.094 -0.202 0.000 1.053 195 V CA 1.546 63.690 62.300 -0.260 0.000 1.027 195 V CB -0.435 31.149 31.823 -0.398 0.000 0.646 195 V HN 0.355 nan 8.190 nan 0.000 0.447 196 L N -0.164 120.983 121.223 -0.126 0.000 2.083 196 L HA -0.156 4.187 4.340 0.005 0.000 0.209 196 L C 2.725 179.564 176.870 -0.052 0.000 1.083 196 L CA 1.509 56.306 54.840 -0.072 0.000 0.752 196 L CB -0.813 41.223 42.059 -0.039 0.000 0.899 196 L HN 0.381 nan 8.230 nan 0.000 0.433 197 A N 0.140 122.932 122.820 -0.046 0.000 1.877 197 A HA -0.164 4.159 4.320 0.005 0.000 0.216 197 A C 2.539 180.104 177.584 -0.033 0.000 1.186 197 A CA 1.725 53.746 52.037 -0.026 0.000 0.620 197 A CB -0.684 18.309 19.000 -0.011 0.000 0.822 197 A HN 0.394 nan 8.150 nan 0.000 0.443 198 A N -0.998 121.790 122.820 -0.054 0.000 1.933 198 A HA -0.109 4.214 4.320 0.005 0.000 0.218 198 A C 2.136 179.685 177.584 -0.057 0.000 1.175 198 A CA 1.959 53.960 52.037 -0.059 0.000 0.628 198 A CB -0.450 18.496 19.000 -0.090 0.000 0.814 198 A HN 0.429 nan 8.150 nan 0.000 0.444 199 M N -0.626 118.932 119.600 -0.070 0.000 2.254 199 M HA -0.063 4.420 4.480 0.005 0.000 0.265 199 M C 2.306 178.598 176.300 -0.015 0.000 1.066 199 M CA 1.102 56.380 55.300 -0.037 0.000 1.123 199 M CB -1.169 31.415 32.600 -0.028 0.000 1.388 199 M HN 0.400 nan 8.290 nan 0.000 0.425 200 R N 0.234 120.724 120.500 -0.017 0.000 2.119 200 R HA 0.016 4.359 4.340 0.005 0.000 0.222 200 R C 2.430 178.727 176.300 -0.005 0.000 1.088 200 R CA 1.305 57.401 56.100 -0.007 0.000 0.984 200 R CB -1.311 28.985 30.300 -0.006 0.000 0.884 200 R HN 0.767 nan 8.270 nan 0.000 0.447 201 S N 0.012 115.706 115.700 -0.009 0.000 2.501 201 S HA 0.303 4.777 4.470 0.005 0.000 0.220 201 S C 1.190 175.786 174.600 -0.006 0.000 0.997 201 S CA 0.231 58.428 58.200 -0.005 0.000 0.919 201 S CB 0.007 63.205 63.200 -0.004 0.000 0.778 201 S HN 0.505 nan 8.310 nan 0.000 0.523 202 A N 1.494 124.308 122.820 -0.009 0.000 2.498 202 A HA 0.443 4.766 4.320 0.005 0.000 0.239 202 A C 1.290 178.872 177.584 -0.003 0.000 1.068 202 A CA 0.185 52.217 52.037 -0.009 0.000 0.766 202 A CB -0.069 18.924 19.000 -0.011 0.000 1.003 202 A HN 0.325 nan 8.150 nan 0.000 0.497 203 T N 0.730 115.282 114.554 -0.003 0.000 2.896 203 T HA 0.035 4.388 4.350 0.005 0.000 0.263 203 T C 1.013 175.713 174.700 0.000 0.000 1.050 203 T CA 1.876 63.976 62.100 -0.000 0.000 1.140 203 T CB 0.039 68.907 68.868 -0.000 0.000 0.877 203 T HN 0.644 nan 8.240 nan 0.000 0.457 204 S N 2.423 118.122 115.700 -0.002 0.000 2.204 204 S HA 0.331 4.805 4.470 0.005 0.000 0.147 204 S C -2.870 171.729 174.600 -0.001 0.000 1.711 204 S CA -1.526 56.673 58.200 -0.001 0.000 1.274 204 S CB 0.588 63.786 63.200 -0.003 0.000 1.257 204 S HN 0.079 nan 8.310 nan 0.000 0.404 205 P HA 0.356 nan 4.420 nan 0.000 0.274 205 P C -0.845 176.467 177.300 0.020 0.000 1.231 205 P CA -0.346 62.763 63.100 0.015 0.000 0.790 205 P CB 1.309 33.022 31.700 0.022 0.000 0.951 206 V N 3.127 123.060 119.914 0.031 0.000 2.733 206 V HA 0.243 4.366 4.120 0.005 0.000 0.306 206 V C -0.237 175.888 176.094 0.052 0.000 1.084 206 V CA -0.770 61.543 62.300 0.022 0.000 0.905 206 V CB 2.001 33.815 31.823 -0.015 0.000 1.010 206 V HN 0.424 nan 8.190 nan 0.000 0.424 207 L N 5.804 127.046 121.223 0.032 0.000 2.265 207 L HA 0.656 4.999 4.340 0.005 0.000 0.289 207 L C -0.336 176.498 176.870 -0.060 0.000 1.033 207 L CA 0.175 55.016 54.840 0.001 0.000 0.814 207 L CB 1.108 43.156 42.059 -0.017 0.000 1.203 207 L HN 0.651 nan 8.230 nan 0.000 0.423 208 M N 5.568 125.112 119.600 -0.093 0.000 2.180 208 M HA 0.393 4.876 4.480 0.005 0.000 0.350 208 M C -0.885 175.344 176.300 -0.117 0.000 1.125 208 M CA -0.754 54.496 55.300 -0.084 0.000 1.031 208 M CB 1.779 34.338 32.600 -0.069 0.000 1.623 208 M HN 0.292 nan 8.290 nan 0.000 0.451 209 V N 3.685 123.550 119.914 -0.083 0.000 2.364 209 V HA 0.316 4.439 4.120 0.005 0.000 0.272 209 V C -0.029 176.040 176.094 -0.041 0.000 1.036 209 V CA -0.367 61.883 62.300 -0.083 0.000 0.880 209 V CB 0.836 32.614 31.823 -0.074 0.000 0.991 209 V HN 1.034 nan 8.190 nan 0.000 0.460 210 C N 3.230 122.515 119.300 -0.026 0.000 3.082 210 C HA 0.459 4.923 4.460 0.005 0.000 0.384 210 C C 1.901 176.904 174.990 0.022 0.000 1.832 210 C CA -0.298 58.733 59.018 0.022 0.000 1.605 210 C CB 1.351 29.120 27.740 0.049 0.000 2.303 210 C HN 0.597 nan 8.230 nan 0.000 0.473 211 V N 1.071 121.025 119.914 0.067 0.000 2.282 211 V HA -0.225 3.898 4.120 0.005 0.000 0.249 211 V C 2.264 178.331 176.094 -0.044 0.000 1.057 211 V CA 2.423 64.740 62.300 0.029 0.000 1.032 211 V CB -0.698 31.186 31.823 0.102 0.000 0.645 211 V HN 0.886 nan 8.190 nan 0.000 0.447 212 E N -0.655 119.547 120.200 0.003 0.000 2.153 212 E HA -0.178 4.175 4.350 0.005 0.000 0.194 212 E C 2.182 178.712 176.600 -0.117 0.000 0.988 212 E CA 1.476 57.783 56.400 -0.155 0.000 0.811 212 E CB -0.187 29.553 29.700 0.068 0.000 0.746 212 E HN 0.594 nan 8.360 nan 0.000 0.466 213 V N 1.294 121.196 119.914 -0.021 0.000 2.332 213 V HA -0.289 3.834 4.120 0.005 0.000 0.248 213 V C 2.457 178.523 176.094 -0.045 0.000 1.055 213 V CA 2.020 64.314 62.300 -0.009 0.000 1.038 213 V CB -0.520 31.285 31.823 -0.029 0.000 0.651 213 V HN 0.233 nan 8.190 nan 0.000 0.450 214 R N -0.238 120.211 120.500 -0.085 0.000 2.062 214 R HA -0.114 4.229 4.340 0.005 0.000 0.229 214 R C 2.620 178.841 176.300 -0.131 0.000 1.128 214 R CA 1.102 57.142 56.100 -0.099 0.000 0.960 214 R CB -0.160 30.074 30.300 -0.110 0.000 0.855 214 R HN 0.318 nan 8.270 nan 0.000 0.432 215 R N -0.031 120.331 120.500 -0.230 0.000 2.091 215 R HA -0.168 4.175 4.340 0.005 0.000 0.238 215 R C 1.680 177.825 176.300 -0.258 0.000 1.136 215 R CA 1.416 57.321 56.100 -0.325 0.000 0.959 215 R CB -0.710 29.248 30.300 -0.571 0.000 0.856 215 R HN 0.390 nan 8.270 nan 0.000 0.437 216 Y N -0.079 120.192 120.300 -0.049 0.000 2.470 216 Y HA 0.271 4.825 4.550 0.006 0.000 0.284 216 Y C 1.282 177.154 175.900 -0.047 0.000 1.188 216 Y CA -0.250 57.817 58.100 -0.056 0.000 1.269 216 Y CB -0.475 37.946 38.460 -0.065 0.000 1.094 216 Y HN 0.283 nan 8.280 nan 0.000 0.518 217 G N 1.038 109.873 108.800 0.058 0.000 2.323 217 G HA2 -0.290 3.673 3.960 0.005 0.000 0.292 217 G HA3 -0.290 3.673 3.960 0.005 0.000 0.292 217 G C 0.437 175.352 174.900 0.026 0.000 1.040 217 G CA 0.500 45.614 45.100 0.024 0.000 0.942 217 G HN 0.509 nan 8.290 nan 0.000 0.506 218 L N -0.585 120.657 121.223 0.032 0.000 2.741 218 L HA 0.267 4.610 4.340 0.005 0.000 0.237 218 L C 2.075 178.942 176.870 -0.003 0.000 1.178 218 L CA 0.457 55.310 54.840 0.021 0.000 0.973 218 L CB 0.195 42.279 42.059 0.042 0.000 1.255 218 L HN 0.499 nan 8.230 nan 0.000 0.498 219 E N 1.591 121.781 120.200 -0.015 0.000 2.085 219 E HA -0.270 4.083 4.350 0.005 0.000 0.194 219 E C 2.225 178.812 176.600 -0.022 0.000 0.994 219 E CA 1.598 57.983 56.400 -0.026 0.000 0.801 219 E CB 0.165 29.844 29.700 -0.036 0.000 0.743 219 E HN 0.527 nan 8.360 nan 0.000 0.453 220 A N 1.257 124.067 122.820 -0.017 0.000 1.902 220 A HA -0.180 4.143 4.320 0.005 0.000 0.217 220 A C 2.096 179.674 177.584 -0.011 0.000 1.181 220 A CA 1.458 53.487 52.037 -0.014 0.000 0.623 220 A CB -0.338 18.656 19.000 -0.011 0.000 0.818 220 A HN 0.079 nan 8.150 nan 0.000 0.443 221 K N -0.338 120.057 120.400 -0.008 0.000 2.097 221 K HA -0.029 4.294 4.320 0.005 0.000 0.205 221 K C 1.923 178.518 176.600 -0.009 0.000 1.050 221 K CA 1.280 57.564 56.287 -0.006 0.000 0.938 221 K CB -0.579 31.919 32.500 -0.002 0.000 0.718 221 K HN 0.363 nan 8.250 nan 0.000 0.442 222 V N 1.324 121.228 119.914 -0.018 0.000 2.667 222 V HA -0.137 3.986 4.120 0.005 0.000 0.252 222 V C 2.368 178.445 176.094 -0.028 0.000 1.065 222 V CA 1.536 63.818 62.300 -0.031 0.000 1.083 222 V CB -0.502 31.293 31.823 -0.047 0.000 0.692 222 V HN 0.235 nan 8.190 nan 0.000 0.468 223 A N 0.205 123.011 122.820 -0.023 0.000 1.898 223 A HA -0.226 4.097 4.320 0.005 0.000 0.216 223 A C 2.195 179.772 177.584 -0.011 0.000 1.181 223 A CA 1.959 53.984 52.037 -0.019 0.000 0.620 223 A CB -0.418 18.572 19.000 -0.017 0.000 0.819 223 A HN 0.524 nan 8.150 nan 0.000 0.442 224 E N -0.131 120.065 120.200 -0.008 0.000 2.051 224 E HA -0.170 4.183 4.350 0.005 0.000 0.192 224 E C 1.815 178.416 176.600 0.003 0.000 0.991 224 E CA 1.365 57.764 56.400 -0.002 0.000 0.799 224 E CB -0.430 29.270 29.700 -0.001 0.000 0.748 224 E HN 0.427 nan 8.360 nan 0.000 0.449 225 L N 0.325 121.550 121.223 0.003 0.000 2.046 225 L HA -0.055 4.289 4.340 0.005 0.000 0.208 225 L C 2.197 179.076 176.870 0.015 0.000 1.077 225 L CA 2.387 57.235 54.840 0.014 0.000 0.747 225 L CB -1.032 41.036 42.059 0.015 0.000 0.896 225 L HN 0.173 nan 8.230 nan 0.000 0.432 226 A N -0.958 121.861 122.820 -0.002 0.000 1.902 226 A HA -0.296 4.028 4.320 0.005 0.000 0.217 226 A C 2.348 179.936 177.584 0.007 0.000 1.181 226 A CA 1.891 53.927 52.037 -0.002 0.000 0.623 226 A CB -0.745 18.245 19.000 -0.017 0.000 0.818 226 A HN 0.700 nan 8.150 nan 0.000 0.443 227 Q N -0.535 119.268 119.800 0.004 0.000 2.079 227 Q HA -0.161 4.182 4.340 0.005 0.000 0.200 227 Q C 2.259 178.266 176.000 0.011 0.000 0.974 227 Q CA 1.464 57.271 55.803 0.006 0.000 0.840 227 Q CB -0.094 28.646 28.738 0.003 0.000 0.898 227 Q HN 0.677 nan 8.270 nan 0.000 0.430 228 R N -0.138 120.370 120.500 0.014 0.000 2.115 228 R HA -0.094 4.250 4.340 0.005 0.000 0.226 228 R C 2.307 178.621 176.300 0.025 0.000 1.100 228 R CA 0.828 56.939 56.100 0.018 0.000 0.980 228 R CB -0.261 30.049 30.300 0.018 0.000 0.875 228 R HN 0.240 nan 8.270 nan 0.000 0.445 229 L N 0.402 121.646 121.223 0.035 0.000 2.141 229 L HA 0.054 4.397 4.340 0.005 0.000 0.209 229 L C 1.059 177.951 176.870 0.037 0.000 1.094 229 L CA 1.944 56.813 54.840 0.048 0.000 0.763 229 L CB -0.550 41.556 42.059 0.079 0.000 0.908 229 L HN 0.468 nan 8.230 nan 0.000 0.437 230 G N -0.507 108.310 108.800 0.028 0.000 2.221 230 G HA2 -0.198 3.766 3.960 0.005 0.000 0.265 230 G HA3 -0.198 3.766 3.960 0.005 0.000 0.265 230 G C 0.201 175.114 174.900 0.022 0.000 1.041 230 G CA 0.519 45.631 45.100 0.021 0.000 0.807 230 G HN 0.877 nan 8.290 nan 0.000 0.502 231 V N -3.963 115.968 119.914 0.028 0.000 3.046 231 V HA 0.933 5.056 4.120 0.005 0.000 0.316 231 V C -2.059 174.047 176.094 0.019 0.000 1.104 231 V CA -3.017 59.299 62.300 0.027 0.000 1.006 231 V CB 1.805 33.654 31.823 0.043 0.000 1.058 231 V HN 0.022 nan 8.190 nan 0.000 0.440 232 P HA 0.232 nan 4.420 nan 0.000 0.265 232 P C -0.773 176.529 177.300 0.004 0.000 1.187 232 P CA 0.227 63.332 63.100 0.008 0.000 0.766 232 P CB 0.538 32.242 31.700 0.007 0.000 0.820 233 V N 4.219 124.132 119.914 -0.002 0.000 2.513 233 V HA 0.500 4.624 4.120 0.005 0.000 0.299 233 V C 0.186 176.274 176.094 -0.010 0.000 1.035 233 V CA -0.422 61.871 62.300 -0.011 0.000 0.889 233 V CB 2.100 33.914 31.823 -0.016 0.000 0.988 233 V HN 0.241 nan 8.190 nan 0.000 0.440 234 V N 2.834 122.739 119.914 -0.016 0.000 3.049 234 V HA 0.710 4.833 4.120 0.005 0.000 0.309 234 V C -0.080 176.010 176.094 -0.006 0.000 1.148 234 V CA -0.566 61.733 62.300 -0.002 0.000 0.990 234 V CB 2.837 34.666 31.823 0.010 0.000 1.039 234 V HN 0.997 nan 8.190 nan 0.000 0.430 235 T N -1.109 113.450 114.554 0.008 0.000 2.932 235 T HA 0.729 5.082 4.350 0.005 0.000 0.289 235 T C -0.025 174.712 174.700 0.061 0.000 1.039 235 T CA -0.361 61.742 62.100 0.005 0.000 1.024 235 T CB 1.772 70.621 68.868 -0.031 0.000 1.090 235 T HN 0.904 nan 8.240 nan 0.000 0.496 236 T N -0.574 114.030 114.554 0.084 0.000 2.849 236 T HA 0.388 4.741 4.350 0.005 0.000 0.276 236 T C 0.874 175.673 174.700 0.166 0.000 0.971 236 T CA -0.839 61.377 62.100 0.193 0.000 0.949 236 T CB 0.395 69.407 68.868 0.241 0.000 1.093 236 T HN 0.513 nan 8.240 nan 0.000 0.545 237 F N 0.812 120.847 119.950 0.142 0.000 2.126 237 F HA -0.051 4.480 4.527 0.007 0.000 0.299 237 F C 2.162 177.933 175.800 -0.048 0.000 1.096 237 F CA 1.543 59.559 58.000 0.026 0.000 1.255 237 F CB -0.427 38.635 39.000 0.104 0.000 0.997 237 F HN 0.291 nan 8.300 nan 0.000 0.479 238 M N -0.091 119.485 119.600 -0.039 0.000 2.557 238 M HA 0.053 4.536 4.480 0.005 0.000 0.259 238 M C 2.031 178.229 176.300 -0.169 0.000 1.086 238 M CA 1.093 56.270 55.300 -0.205 0.000 1.096 238 M CB -1.624 30.939 32.600 -0.062 0.000 1.424 238 M HN 0.340 nan 8.290 nan 0.000 0.488 239 G N -0.456 108.280 108.800 -0.107 0.000 3.126 239 G HA2 0.048 4.011 3.960 0.005 0.000 0.224 239 G HA3 0.048 4.011 3.960 0.005 0.000 0.224 239 G C 0.695 175.513 174.900 -0.138 0.000 1.142 239 G CA -0.437 44.605 45.100 -0.096 0.000 0.759 239 G HN 0.323 nan 8.290 nan 0.000 0.550 240 R N 0.439 120.808 120.500 -0.220 0.000 2.494 240 R HA 0.309 4.652 4.340 0.005 0.000 0.291 240 R C 1.554 177.748 176.300 -0.176 0.000 0.953 240 R CA 1.466 57.433 56.100 -0.222 0.000 1.098 240 R CB -0.089 29.993 30.300 -0.363 0.000 0.911 240 R HN 0.350 nan 8.270 nan 0.000 0.407 241 G N 3.305 112.034 108.800 -0.119 0.000 2.258 241 G HA2 -0.278 3.685 3.960 0.005 0.000 0.233 241 G HA3 -0.278 3.685 3.960 0.005 0.000 0.233 241 G C 0.161 175.014 174.900 -0.078 0.000 1.006 241 G CA -0.032 45.012 45.100 -0.093 0.000 0.620 241 G HN 0.510 nan 8.290 nan 0.000 0.511 242 L N 0.756 121.930 121.223 -0.082 0.000 2.485 242 L HA 0.411 4.755 4.340 0.005 0.000 0.275 242 L C 1.616 178.455 176.870 -0.052 0.000 1.207 242 L CA -0.096 54.703 54.840 -0.068 0.000 0.855 242 L CB 0.680 42.697 42.059 -0.069 0.000 1.114 242 L HN 0.260 nan 8.230 nan 0.000 0.485 243 L N 1.972 123.169 121.223 -0.044 0.000 4.429 243 L HA -0.312 4.031 4.340 0.005 0.000 0.422 243 L C 1.577 178.431 176.870 -0.027 0.000 1.149 243 L CA 1.273 56.093 54.840 -0.034 0.000 0.972 243 L CB -1.859 40.181 42.059 -0.033 0.000 2.059 243 L HN 0.837 nan 8.230 nan 0.000 0.870 244 A N -1.174 121.628 122.820 -0.029 0.000 1.972 244 A HA -0.140 4.183 4.320 0.005 0.000 0.219 244 A C 1.658 179.235 177.584 -0.013 0.000 1.169 244 A CA 1.956 53.982 52.037 -0.019 0.000 0.635 244 A CB -0.211 18.776 19.000 -0.021 0.000 0.810 244 A HN 0.549 nan 8.150 nan 0.000 0.446 245 D N -0.514 119.876 120.400 -0.017 0.000 2.368 245 D HA 0.405 5.048 4.640 0.005 0.000 0.218 245 D C 0.585 176.878 176.300 -0.011 0.000 1.112 245 D CA 0.584 54.576 54.000 -0.012 0.000 0.834 245 D CB 0.166 40.958 40.800 -0.015 0.000 0.953 245 D HN 0.430 nan 8.370 nan 0.000 0.505 246 A N 1.235 124.048 122.820 -0.012 0.000 2.272 246 A HA 0.420 4.744 4.320 0.005 0.000 0.275 246 A C -1.409 176.171 177.584 -0.007 0.000 1.096 246 A CA -0.992 51.038 52.037 -0.011 0.000 0.822 246 A CB 0.557 19.548 19.000 -0.014 0.000 1.088 246 A HN -0.150 nan 8.150 nan 0.000 0.495 247 P HA -0.053 nan 4.420 nan 0.000 0.218 247 P C 0.510 177.809 177.300 -0.002 0.000 1.148 247 P CA 1.929 65.028 63.100 -0.002 0.000 0.822 247 P CB 0.077 31.776 31.700 -0.002 0.000 0.784 248 T N -4.054 110.498 114.554 -0.004 0.000 3.331 248 T HA 0.383 4.736 4.350 0.005 0.000 0.381 248 T C -2.778 171.918 174.700 -0.007 0.000 1.656 248 T CA -2.427 59.672 62.100 -0.003 0.000 1.453 248 T CB 0.694 69.561 68.868 -0.001 0.000 1.066 248 T HN -0.062 nan 8.240 nan 0.000 0.655 249 P HA 0.369 nan 4.420 nan 0.000 0.274 249 P C -2.760 174.534 177.300 -0.009 0.000 1.246 249 P CA -1.584 61.511 63.100 -0.009 0.000 0.795 249 P CB -0.146 31.551 31.700 -0.004 0.000 1.006 250 P HA 0.154 nan 4.420 nan 0.000 0.268 250 P C 0.919 178.217 177.300 -0.004 0.000 1.205 250 P CA 0.134 63.227 63.100 -0.012 0.000 0.771 250 P CB 0.267 31.954 31.700 -0.021 0.000 0.858 251 L N 0.936 122.160 121.223 0.001 0.000 2.291 251 L HA 0.192 4.536 4.340 0.005 0.000 0.214 251 L C 1.317 178.193 176.870 0.009 0.000 1.120 251 L CA 1.072 55.916 54.840 0.008 0.000 0.799 251 L CB -0.574 41.492 42.059 0.011 0.000 0.925 251 L HN 0.621 nan 8.230 nan 0.000 0.446 252 G N -1.731 107.071 108.800 0.004 0.000 2.321 252 G HA2 0.243 4.207 3.960 0.005 0.000 0.296 252 G HA3 0.243 4.207 3.960 0.005 0.000 0.296 252 G C -1.389 173.507 174.900 -0.007 0.000 1.287 252 G CA -0.642 44.454 45.100 -0.007 0.000 0.846 252 G HN -0.277 nan 8.290 nan 0.000 0.508 253 T N 0.538 115.074 114.554 -0.029 0.000 2.779 253 T HA 0.501 4.854 4.350 0.005 0.000 0.280 253 T C -1.081 173.634 174.700 0.025 0.000 0.987 253 T CA -0.095 61.997 62.100 -0.012 0.000 0.966 253 T CB 1.268 70.089 68.868 -0.078 0.000 0.933 253 T HN 0.540 nan 8.240 nan 0.000 0.442 254 Y N 4.961 125.243 120.300 -0.030 0.000 2.316 254 Y HA 0.496 5.049 4.550 0.005 0.000 0.331 254 Y C 0.682 176.572 175.900 -0.016 0.000 1.083 254 Y CA -0.781 57.306 58.100 -0.021 0.000 1.206 254 Y CB 0.325 38.781 38.460 -0.007 0.000 1.195 254 Y HN 0.666 nan 8.280 nan 0.000 0.497 255 I N 3.187 123.340 120.570 -0.694 0.000 4.050 255 I HA 0.654 4.827 4.170 0.005 0.000 0.328 255 I C 0.441 176.234 176.117 -0.538 0.000 1.439 255 I CA 0.083 61.056 61.300 -0.545 0.000 1.099 255 I CB 0.251 37.822 38.000 -0.715 0.000 1.469 255 I HN 0.880 nan 8.210 nan 0.000 0.572 256 G N 1.536 109.721 108.800 -1.026 0.000 2.615 256 G HA2 -0.261 3.702 3.960 0.005 0.000 0.218 256 G HA3 -0.261 3.702 3.960 0.005 0.000 0.218 256 G C 0.240 175.031 174.900 -0.183 0.000 1.339 256 G CA -0.143 44.684 45.100 -0.455 0.000 0.884 256 G HN 0.301 nan 8.290 nan 0.000 0.559 257 V N 1.051 120.964 119.914 -0.002 0.000 2.660 257 V HA 0.044 4.167 4.120 0.005 0.000 0.257 257 V C 3.113 179.254 176.094 0.080 0.000 1.088 257 V CA 3.530 65.849 62.300 0.032 0.000 1.106 257 V CB -0.941 30.889 31.823 0.012 0.000 0.686 257 V HN 2.019 nan 8.190 nan 0.000 0.481 258 A N -0.626 122.302 122.820 0.181 0.000 2.066 258 A HA 0.252 4.576 4.320 0.005 0.000 0.218 258 A C 1.537 179.148 177.584 0.043 0.000 1.157 258 A CA 1.129 53.301 52.037 0.226 0.000 0.670 258 A CB -0.737 18.512 19.000 0.414 0.000 0.804 258 A HN 0.647 nan 8.150 nan 0.000 0.453 259 G N -0.665 108.094 108.800 -0.068 0.000 2.510 259 G HA2 0.371 4.334 3.960 0.005 0.000 0.280 259 G HA3 0.371 4.334 3.960 0.005 0.000 0.280 259 G C -0.742 174.144 174.900 -0.024 0.000 1.386 259 G CA 0.033 45.081 45.100 -0.088 0.000 1.047 259 G HN 0.282 nan 8.290 nan 0.000 0.527 260 D N -0.647 119.749 120.400 -0.007 0.000 2.417 260 D HA 0.363 5.006 4.640 0.005 0.000 0.250 260 D C 1.441 177.754 176.300 0.023 0.000 1.166 260 D CA 0.534 54.543 54.000 0.015 0.000 0.881 260 D CB 1.195 42.011 40.800 0.027 0.000 1.164 260 D HN 0.375 nan 8.370 nan 0.000 0.467 261 A N 4.459 127.291 122.820 0.020 0.000 1.948 261 A HA -0.236 4.087 4.320 0.005 0.000 0.220 261 A C 1.974 179.581 177.584 0.038 0.000 1.177 261 A CA 1.289 53.342 52.037 0.028 0.000 0.636 261 A CB -0.477 18.533 19.000 0.018 0.000 0.815 261 A HN 0.703 nan 8.150 nan 0.000 0.449 262 E N -0.157 120.062 120.200 0.031 0.000 2.051 262 E HA -0.136 4.217 4.350 0.005 0.000 0.192 262 E C 2.073 178.702 176.600 0.049 0.000 0.991 262 E CA 0.890 57.309 56.400 0.032 0.000 0.799 262 E CB -0.404 29.308 29.700 0.021 0.000 0.748 262 E HN 0.562 nan 8.360 nan 0.000 0.449 263 I N 1.280 121.888 120.570 0.062 0.000 2.179 263 I HA -0.202 3.971 4.170 0.005 0.000 0.242 263 I C 2.221 178.440 176.117 0.170 0.000 1.088 263 I CA 1.273 62.631 61.300 0.097 0.000 1.357 263 I CB -1.498 36.562 38.000 0.099 0.000 1.051 263 I HN 0.080 nan 8.210 nan 0.000 0.409 264 T N 0.446 115.112 114.554 0.187 0.000 2.720 264 T HA -0.216 4.137 4.350 0.005 0.000 0.268 264 T C 2.101 176.910 174.700 0.181 0.000 1.037 264 T CA 1.366 63.640 62.100 0.289 0.000 1.144 264 T CB -0.239 68.726 68.868 0.162 0.000 0.864 264 T HN 0.269 nan 8.240 nan 0.000 0.444 265 R N 0.235 120.795 120.500 0.098 0.000 2.073 265 R HA -0.057 4.286 4.340 0.005 0.000 0.234 265 R C 2.444 178.763 176.300 0.032 0.000 1.134 265 R CA 1.206 57.340 56.100 0.056 0.000 0.952 265 R CB -0.535 29.787 30.300 0.038 0.000 0.850 265 R HN 0.279 nan 8.270 nan 0.000 0.433 266 L N 0.647 121.888 121.223 0.030 0.000 2.013 266 L HA -0.181 4.163 4.340 0.005 0.000 0.212 266 L C 2.103 178.955 176.870 -0.029 0.000 1.073 266 L CA 1.669 56.512 54.840 0.005 0.000 0.753 266 L CB -0.461 41.605 42.059 0.012 0.000 0.890 266 L HN 0.009 nan 8.230 nan 0.000 0.432 267 V N -0.273 119.606 119.914 -0.059 0.000 2.270 267 V HA -0.265 3.858 4.120 0.005 0.000 0.245 267 V C 2.433 178.423 176.094 -0.172 0.000 1.043 267 V CA 2.131 64.315 62.300 -0.193 0.000 1.014 267 V CB -0.676 30.845 31.823 -0.505 0.000 0.645 267 V HN 0.505 nan 8.190 nan 0.000 0.447 268 E N -0.229 119.908 120.200 -0.104 0.000 2.268 268 E HA -0.163 4.190 4.350 0.005 0.000 0.195 268 E C 1.717 178.297 176.600 -0.034 0.000 0.995 268 E CA 0.884 57.250 56.400 -0.057 0.000 0.836 268 E CB -0.025 29.689 29.700 0.023 0.000 0.763 268 E HN 0.690 nan 8.360 nan 0.000 0.491 269 E N 0.591 120.776 120.200 -0.025 0.000 2.481 269 E HA 0.069 4.422 4.350 0.005 0.000 0.198 269 E C 0.116 176.702 176.600 -0.023 0.000 1.027 269 E CA -0.240 56.150 56.400 -0.016 0.000 0.900 269 E CB 0.724 30.422 29.700 -0.004 0.000 0.993 269 E HN -0.097 nan 8.360 nan 0.000 0.482 270 S N 2.279 117.956 115.700 -0.038 0.000 2.549 270 S HA -0.025 4.449 4.470 0.005 0.000 0.283 270 S C 0.523 175.104 174.600 -0.032 0.000 1.320 270 S CA -0.358 57.822 58.200 -0.034 0.000 1.058 270 S CB 0.501 63.674 63.200 -0.045 0.000 0.882 270 S HN 0.241 nan 8.310 nan 0.000 0.498 271 D N 2.589 122.975 120.400 -0.023 0.000 2.463 271 D HA 0.218 4.862 4.640 0.005 0.000 0.224 271 D C 0.364 176.647 176.300 -0.029 0.000 1.174 271 D CA -0.202 53.783 54.000 -0.025 0.000 0.829 271 D CB -0.128 40.662 40.800 -0.016 0.000 0.993 271 D HN 0.549 nan 8.370 nan 0.000 0.497 272 G N 0.837 109.622 108.800 -0.025 0.000 4.341 272 G HA2 0.286 4.249 3.960 0.005 0.000 0.252 272 G HA3 0.286 4.249 3.960 0.005 0.000 0.252 272 G C -1.312 173.592 174.900 0.006 0.000 2.181 272 G CA -0.637 44.450 45.100 -0.021 0.000 0.602 272 G HN 0.148 nan 8.290 nan 0.000 0.346 273 L N 2.038 123.260 121.223 -0.001 0.000 2.295 273 L HA 0.606 4.950 4.340 0.005 0.000 0.288 273 L C -0.784 176.158 176.870 0.119 0.000 1.079 273 L CA -1.322 53.532 54.840 0.022 0.000 0.830 273 L CB 0.145 42.179 42.059 -0.042 0.000 1.200 273 L HN 0.229 nan 8.230 nan 0.000 0.438 274 F N 6.758 126.686 119.950 -0.037 0.000 2.377 274 F HA 0.333 4.863 4.527 0.005 0.000 0.360 274 F C -0.458 175.341 175.800 -0.001 0.000 1.147 274 F CA -1.342 56.652 58.000 -0.011 0.000 1.170 274 F CB 0.218 39.214 39.000 -0.006 0.000 1.339 274 F HN 0.262 nan 8.300 nan 0.000 0.552 275 L N 7.398 128.789 121.223 0.281 0.000 2.356 275 L HA 0.138 4.481 4.340 0.005 0.000 0.282 275 L C -0.198 176.729 176.870 0.094 0.000 1.132 275 L CA -0.615 54.289 54.840 0.106 0.000 0.923 275 L CB 0.415 42.532 42.059 0.097 0.000 1.278 275 L HN 0.382 nan 8.230 nan 0.000 0.436 276 L N 4.311 125.430 121.223 -0.174 0.000 2.356 276 L HA 0.397 4.740 4.340 0.005 0.000 0.282 276 L C 0.984 177.847 176.870 -0.012 0.000 1.132 276 L CA 0.489 55.194 54.840 -0.224 0.000 0.923 276 L CB 0.157 41.900 42.059 -0.526 0.000 1.278 276 L HN 0.744 nan 8.230 nan 0.000 0.436 277 G N 3.162 112.047 108.800 0.141 0.000 2.149 277 G HA2 -0.133 3.830 3.960 0.005 0.000 0.235 277 G HA3 -0.133 3.830 3.960 0.005 0.000 0.235 277 G C 0.260 175.333 174.900 0.289 0.000 1.018 277 G CA -0.014 45.244 45.100 0.263 0.000 0.728 277 G HN 1.072 nan 8.290 nan 0.000 0.508 278 A N -0.281 122.632 122.820 0.157 0.000 2.310 278 A HA 0.790 5.113 4.320 0.005 0.000 0.299 278 A C 0.551 177.790 177.584 -0.575 0.000 1.147 278 A CA -0.473 51.526 52.037 -0.063 0.000 0.818 278 A CB 0.626 19.591 19.000 -0.057 0.000 1.096 278 A HN 0.712 nan 8.150 nan 0.000 0.495 279 I N 1.863 122.151 120.570 -0.470 0.000 2.474 279 I HA 0.156 4.329 4.170 0.005 0.000 0.287 279 I C -0.318 175.522 176.117 -0.461 0.000 1.048 279 I CA 0.194 61.134 61.300 -0.601 0.000 1.383 279 I CB 0.815 38.744 38.000 -0.119 0.000 1.412 279 I HN 0.474 nan 8.210 nan 0.000 0.531 280 L N 6.204 127.185 121.223 -0.404 0.000 2.319 280 L HA 0.510 4.853 4.340 0.005 0.000 0.281 280 L C -0.314 176.446 176.870 -0.184 0.000 1.005 280 L CA 0.011 54.664 54.840 -0.312 0.000 0.828 280 L CB 1.540 43.385 42.059 -0.357 0.000 1.227 280 L HN 0.620 nan 8.230 nan 0.000 0.415 281 S N 1.700 117.294 115.700 -0.178 0.000 2.578 281 S HA 0.311 4.784 4.470 0.005 0.000 0.272 281 S C -1.759 172.791 174.600 -0.084 0.000 1.145 281 S CA -0.819 57.319 58.200 -0.103 0.000 0.835 281 S CB 1.607 64.755 63.200 -0.086 0.000 1.104 281 S HN 0.574 nan 8.310 nan 0.000 0.458 282 D N 2.937 123.314 120.400 -0.038 0.000 2.639 282 D HA 0.301 4.944 4.640 0.005 0.000 0.233 282 D C -0.394 175.903 176.300 -0.005 0.000 1.161 282 D CA 0.059 54.051 54.000 -0.013 0.000 1.003 282 D CB 0.260 41.059 40.800 -0.002 0.000 1.034 282 D HN 0.553 nan 8.370 nan 0.000 0.514 283 T N -1.643 112.902 114.554 -0.016 0.000 3.143 283 T HA 0.252 4.605 4.350 0.005 0.000 0.312 283 T C 0.502 175.200 174.700 -0.003 0.000 0.986 283 T CA -0.836 61.260 62.100 -0.007 0.000 1.024 283 T CB 2.149 71.011 68.868 -0.010 0.000 1.030 283 T HN 0.263 nan 8.240 nan 0.000 0.448 284 N N 0.732 119.444 118.700 0.020 0.000 1.414 284 N HA -0.291 4.452 4.740 0.005 0.000 0.142 284 N C -0.028 175.533 175.510 0.086 0.000 0.587 284 N CA 2.352 55.365 53.050 -0.062 0.000 1.068 284 N CB -0.862 37.386 38.487 -0.397 0.000 1.317 284 N HN 0.554 nan 8.380 nan 0.000 0.463 285 F N 1.529 121.444 119.950 -0.058 0.000 2.797 285 F HA 0.427 4.957 4.527 0.005 0.000 0.302 285 F C 1.299 177.107 175.800 0.013 0.000 1.130 285 F CA 0.420 58.388 58.000 -0.053 0.000 1.387 285 F CB -0.914 37.966 39.000 -0.201 0.000 1.107 285 F HN 0.344 nan 8.300 nan 0.000 0.577 286 A N 0.400 123.189 122.820 -0.052 0.000 2.406 286 A HA 0.392 4.715 4.320 0.005 0.000 0.243 286 A C 0.202 177.707 177.584 -0.132 0.000 1.082 286 A CA -0.380 51.330 52.037 -0.544 0.000 0.786 286 A CB 0.166 18.651 19.000 -0.859 0.000 1.029 286 A HN -0.051 nan 8.150 nan 0.000 0.495 287 V N 2.209 122.059 119.914 -0.106 0.000 2.479 287 V HA 0.227 4.350 4.120 0.005 0.000 0.281 287 V C 0.964 177.022 176.094 -0.059 0.000 1.031 287 V CA 0.467 62.799 62.300 0.055 0.000 1.038 287 V CB 0.780 32.570 31.823 -0.055 0.000 0.981 287 V HN 0.887 nan 8.190 nan 0.000 0.478 288 S N 4.225 119.936 115.700 0.018 0.000 2.480 288 S HA 0.433 4.907 4.470 0.005 0.000 0.286 288 S C 1.170 175.744 174.600 -0.043 0.000 1.180 288 S CA 0.173 58.360 58.200 -0.022 0.000 1.075 288 S CB 1.790 65.004 63.200 0.022 0.000 0.996 288 S HN 0.923 nan 8.310 nan 0.000 0.487 289 Q N 4.025 123.785 119.800 -0.066 0.000 2.297 289 Q HA -0.069 4.275 4.340 0.005 0.000 0.208 289 Q C 1.825 177.805 176.000 -0.033 0.000 0.981 289 Q CA 1.714 57.478 55.803 -0.066 0.000 0.876 289 Q CB -0.694 28.010 28.738 -0.056 0.000 0.921 289 Q HN 0.900 nan 8.270 nan 0.000 0.446 290 R N -0.538 119.953 120.500 -0.014 0.000 2.275 290 R HA 0.059 4.402 4.340 0.005 0.000 0.199 290 R C 1.435 177.740 176.300 0.010 0.000 0.989 290 R CA 0.709 56.809 56.100 0.000 0.000 1.016 290 R CB 0.366 30.670 30.300 0.007 0.000 0.918 290 R HN 0.242 nan 8.270 nan 0.000 0.473 291 K N 0.564 120.974 120.400 0.016 0.000 2.354 291 K HA 0.189 4.512 4.320 0.005 0.000 0.194 291 K C 1.152 177.754 176.600 0.003 0.000 1.045 291 K CA 0.276 56.585 56.287 0.036 0.000 1.026 291 K CB 0.645 33.207 32.500 0.104 0.000 0.866 291 K HN 0.235 nan 8.250 nan 0.000 0.530 292 I N -2.013 118.538 120.570 -0.032 0.000 3.100 292 I HA 0.412 4.585 4.170 0.005 0.000 0.312 292 I C -0.729 175.359 176.117 -0.049 0.000 1.063 292 I CA -0.939 60.323 61.300 -0.063 0.000 1.031 292 I CB 1.599 39.532 38.000 -0.113 0.000 1.243 292 I HN -0.305 nan 8.210 nan 0.000 0.483 293 D N 2.338 122.706 120.400 -0.054 0.000 2.467 293 D HA 0.323 4.966 4.640 0.005 0.000 0.220 293 D C 0.792 177.056 176.300 -0.060 0.000 1.103 293 D CA -0.300 53.675 54.000 -0.042 0.000 0.886 293 D CB 0.761 41.541 40.800 -0.034 0.000 1.025 293 D HN 0.645 nan 8.370 nan 0.000 0.514 294 L N 2.873 124.062 121.223 -0.057 0.000 2.187 294 L HA -0.153 4.190 4.340 0.005 0.000 0.213 294 L C 2.263 179.064 176.870 -0.114 0.000 1.100 294 L CA 0.876 55.673 54.840 -0.072 0.000 0.765 294 L CB -0.115 41.917 42.059 -0.045 0.000 0.904 294 L HN 0.400 nan 8.230 nan 0.000 0.437 295 R N -0.045 120.385 120.500 -0.116 0.000 2.120 295 R HA -0.104 4.239 4.340 0.005 0.000 0.234 295 R C 1.152 177.304 176.300 -0.247 0.000 1.123 295 R CA 0.822 56.777 56.100 -0.241 0.000 0.975 295 R CB -0.034 30.204 30.300 -0.102 0.000 0.866 295 R HN 0.169 nan 8.270 nan 0.000 0.446 296 K N 0.298 120.615 120.400 -0.139 0.000 2.514 296 K HA 0.183 4.506 4.320 0.005 0.000 0.207 296 K C -0.262 176.283 176.600 -0.092 0.000 1.035 296 K CA 0.169 56.390 56.287 -0.110 0.000 1.113 296 K CB 1.418 33.877 32.500 -0.068 0.000 0.846 296 K HN -0.029 nan 8.250 nan 0.000 0.491 297 T N 1.410 115.904 114.554 -0.099 0.000 2.859 297 T HA 0.524 4.877 4.350 0.005 0.000 0.281 297 T C 0.237 174.913 174.700 -0.041 0.000 1.005 297 T CA -0.397 61.668 62.100 -0.059 0.000 1.025 297 T CB 1.537 70.365 68.868 -0.067 0.000 0.977 297 T HN -0.005 nan 8.240 nan 0.000 0.458 298 I N 3.256 123.837 120.570 0.017 0.000 2.359 298 I HA 0.228 4.401 4.170 0.005 0.000 0.284 298 I C -0.492 175.764 176.117 0.232 0.000 1.018 298 I CA -0.709 60.609 61.300 0.030 0.000 1.173 298 I CB 0.750 38.649 38.000 -0.169 0.000 1.326 298 I HN 0.577 nan 8.210 nan 0.000 0.462 299 H N 6.598 125.720 119.070 0.086 0.000 2.623 299 H HA 0.631 5.190 4.556 0.006 0.000 0.299 299 H C -0.710 174.731 175.328 0.189 0.000 1.052 299 H CA -0.837 55.285 56.048 0.123 0.000 1.231 299 H CB 1.118 30.918 29.762 0.063 0.000 1.389 299 H HN 0.627 nan 8.280 nan 0.000 0.469 300 A N 5.712 128.681 122.820 0.248 0.000 2.253 300 A HA 0.583 4.906 4.320 0.005 0.000 0.316 300 A C -1.410 176.263 177.584 0.147 0.000 1.327 300 A CA -0.468 51.669 52.037 0.167 0.000 0.917 300 A CB -0.426 18.741 19.000 0.279 0.000 1.162 300 A HN 0.585 nan 8.150 nan 0.000 0.535 301 F N 1.502 121.336 119.950 -0.193 0.000 2.746 301 F HA 0.366 4.896 4.527 0.006 0.000 0.311 301 F C -0.844 174.900 175.800 -0.092 0.000 1.135 301 F CA -0.623 57.282 58.000 -0.158 0.000 0.954 301 F CB 1.333 40.121 39.000 -0.352 0.000 1.276 301 F HN 0.642 nan 8.300 nan 0.000 0.440 302 D N 4.045 124.010 120.400 -0.726 0.000 2.708 302 D HA -0.232 4.412 4.640 0.005 0.000 0.236 302 D C 0.350 176.546 176.300 -0.172 0.000 1.146 302 D CA 1.591 55.294 54.000 -0.494 0.000 0.662 302 D CB -0.507 40.042 40.800 -0.419 0.000 1.059 302 D HN 0.793 nan 8.370 nan 0.000 0.428 303 R N -3.449 116.975 120.500 -0.126 0.000 3.641 303 R HA -0.147 4.197 4.340 0.005 0.000 0.286 303 R C 0.152 176.463 176.300 0.017 0.000 1.153 303 R CA 1.287 57.359 56.100 -0.048 0.000 0.775 303 R CB -1.951 28.335 30.300 -0.023 0.000 1.215 303 R HN 0.446 nan 8.270 nan 0.000 0.474 304 A N -0.566 122.265 122.820 0.018 0.000 2.594 304 A HA 0.806 5.129 4.320 0.005 0.000 0.291 304 A C -0.901 176.722 177.584 0.065 0.000 1.105 304 A CA -0.559 51.515 52.037 0.061 0.000 0.694 304 A CB 2.190 21.229 19.000 0.063 0.000 1.291 304 A HN 0.021 nan 8.150 nan 0.000 0.410 305 V N 0.750 120.733 119.914 0.116 0.000 2.623 305 V HA 0.609 4.733 4.120 0.005 0.000 0.304 305 V C -0.496 175.678 176.094 0.135 0.000 1.054 305 V CA -0.376 61.999 62.300 0.124 0.000 0.882 305 V CB 1.944 33.844 31.823 0.129 0.000 1.002 305 V HN 0.925 nan 8.190 nan 0.000 0.424 306 T N 7.043 121.650 114.554 0.088 0.000 2.779 306 T HA 0.847 5.201 4.350 0.005 0.000 0.280 306 T C -0.841 173.838 174.700 -0.034 0.000 0.987 306 T CA -0.390 61.727 62.100 0.028 0.000 0.966 306 T CB 1.150 70.067 68.868 0.080 0.000 0.933 306 T HN 0.574 nan 8.240 nan 0.000 0.442 307 L N -0.323 120.783 121.223 -0.195 0.000 2.838 307 L HA 0.848 5.191 4.340 0.005 0.000 0.266 307 L C 0.622 177.262 176.870 -0.385 0.000 1.040 307 L CA -1.287 53.411 54.840 -0.238 0.000 0.906 307 L CB -0.118 41.839 42.059 -0.171 0.000 1.501 307 L HN 0.684 nan 8.230 nan 0.000 0.407 308 G N 0.091 108.718 108.800 -0.288 0.000 2.416 308 G HA2 -0.276 3.687 3.960 0.005 0.000 0.301 308 G HA3 -0.276 3.687 3.960 0.005 0.000 0.301 308 G C 0.330 175.241 174.900 0.019 0.000 0.985 308 G CA 1.599 46.590 45.100 -0.180 0.000 0.934 308 G HN 1.434 nan 8.290 nan 0.000 0.513 309 Y N -3.396 116.919 120.300 0.026 0.000 4.545 309 Y HA -0.264 4.289 4.550 0.005 0.000 0.306 309 Y C 1.360 177.304 175.900 0.074 0.000 1.060 309 Y CA 1.809 59.945 58.100 0.061 0.000 1.834 309 Y CB -2.185 36.328 38.460 0.089 0.000 1.008 309 Y HN 1.108 nan 8.280 nan 0.000 0.436 310 H N -0.866 118.238 119.070 0.056 0.000 2.676 310 H HA 0.850 5.410 4.556 0.005 0.000 0.352 310 H C -0.433 174.842 175.328 -0.089 0.000 1.193 310 H CA -0.195 55.829 56.048 -0.040 0.000 1.243 310 H CB 1.880 31.564 29.762 -0.131 0.000 1.751 310 H HN 0.029 nan 8.280 nan 0.000 0.567 311 T N 1.715 116.237 114.554 -0.054 0.000 2.824 311 T HA 0.306 4.659 4.350 0.005 0.000 0.282 311 T C -0.931 173.715 174.700 -0.090 0.000 0.993 311 T CA -0.522 61.541 62.100 -0.060 0.000 0.967 311 T CB 0.463 69.347 68.868 0.027 0.000 0.960 311 T HN 0.388 nan 8.240 nan 0.000 0.441 312 Y N 1.705 122.039 120.300 0.057 0.000 2.341 312 Y HA 0.589 5.142 4.550 0.005 0.000 0.340 312 Y C 0.636 176.566 175.900 0.051 0.000 0.997 312 Y CA -0.745 57.395 58.100 0.068 0.000 1.149 312 Y CB 0.924 39.416 38.460 0.053 0.000 1.171 312 Y HN 0.806 nan 8.280 nan 0.000 0.494 313 A N 1.807 124.738 122.820 0.186 0.000 2.269 313 A HA 0.511 4.835 4.320 0.005 0.000 0.319 313 A C -0.063 177.595 177.584 0.123 0.000 1.110 313 A CA -0.575 51.539 52.037 0.129 0.000 0.847 313 A CB 0.185 19.241 19.000 0.093 0.000 1.161 313 A HN 0.886 nan 8.150 nan 0.000 0.497 314 D N -0.764 119.699 120.400 0.104 0.000 2.705 314 D HA -0.141 4.502 4.640 0.005 0.000 0.240 314 D C -0.736 175.607 176.300 0.072 0.000 1.137 314 D CA 1.229 55.287 54.000 0.096 0.000 0.677 314 D CB -1.184 39.669 40.800 0.087 0.000 1.049 314 D HN 0.489 nan 8.370 nan 0.000 0.427 315 I N 1.146 121.751 120.570 0.059 0.000 2.466 315 I HA 0.200 4.373 4.170 0.005 0.000 0.279 315 I C -2.064 174.052 176.117 -0.001 0.000 1.033 315 I CA -1.735 59.582 61.300 0.028 0.000 1.123 315 I CB 2.126 40.146 38.000 0.032 0.000 1.237 315 I HN -0.273 nan 8.210 nan 0.000 0.460 316 P HA 0.028 nan 4.420 nan 0.000 0.271 316 P C 0.681 177.937 177.300 -0.073 0.000 1.218 316 P CA -0.414 62.625 63.100 -0.103 0.000 0.780 316 P CB 1.804 33.422 31.700 -0.137 0.000 0.901 317 L N 3.869 125.043 121.223 -0.081 0.000 2.042 317 L HA -0.194 4.149 4.340 0.005 0.000 0.210 317 L C 2.502 179.367 176.870 -0.010 0.000 1.076 317 L CA 2.471 57.312 54.840 0.001 0.000 0.749 317 L CB -1.493 40.617 42.059 0.085 0.000 0.893 317 L HN 0.501 nan 8.230 nan 0.000 0.432 318 A N -0.907 121.875 122.820 -0.064 0.000 1.933 318 A HA -0.071 4.253 4.320 0.005 0.000 0.218 318 A C 2.331 179.897 177.584 -0.031 0.000 1.175 318 A CA 1.496 53.506 52.037 -0.045 0.000 0.628 318 A CB -1.432 17.519 19.000 -0.081 0.000 0.814 318 A HN 0.511 nan 8.150 nan 0.000 0.444 319 G N -0.269 108.507 108.800 -0.041 0.000 2.408 319 G HA2 -0.091 3.872 3.960 0.005 0.000 0.217 319 G HA3 -0.091 3.872 3.960 0.005 0.000 0.217 319 G C 1.480 176.374 174.900 -0.009 0.000 1.150 319 G CA 1.120 46.205 45.100 -0.025 0.000 0.776 319 G HN 0.501 nan 8.290 nan 0.000 0.542 320 L N 0.907 122.132 121.223 0.004 0.000 2.046 320 L HA 0.008 4.351 4.340 0.005 0.000 0.208 320 L C 2.857 179.757 176.870 0.051 0.000 1.077 320 L CA 1.459 56.316 54.840 0.028 0.000 0.747 320 L CB -0.530 41.570 42.059 0.069 0.000 0.896 320 L HN 0.068 nan 8.230 nan 0.000 0.432 321 V N -0.002 119.941 119.914 0.048 0.000 2.343 321 V HA -0.285 3.838 4.120 0.005 0.000 0.247 321 V C 2.291 178.402 176.094 0.029 0.000 1.051 321 V CA 1.990 64.317 62.300 0.046 0.000 1.036 321 V CB -0.838 30.999 31.823 0.023 0.000 0.654 321 V HN 0.459 nan 8.190 nan 0.000 0.451 322 D N 0.350 120.758 120.400 0.012 0.000 2.117 322 D HA -0.105 4.538 4.640 0.005 0.000 0.197 322 D C 2.226 178.529 176.300 0.006 0.000 0.987 322 D CA 1.603 55.606 54.000 0.005 0.000 0.829 322 D CB -0.328 40.470 40.800 -0.003 0.000 0.961 322 D HN 0.436 nan 8.370 nan 0.000 0.460 323 A N 0.475 123.296 122.820 0.003 0.000 1.933 323 A HA -0.110 4.214 4.320 0.005 0.000 0.218 323 A C 2.364 179.949 177.584 0.002 0.000 1.175 323 A CA 0.871 52.905 52.037 -0.005 0.000 0.628 323 A CB -0.674 18.314 19.000 -0.019 0.000 0.814 323 A HN 0.210 nan 8.150 nan 0.000 0.444 324 L N -0.794 120.441 121.223 0.020 0.000 2.109 324 L HA -0.113 4.230 4.340 0.005 0.000 0.207 324 L C 2.485 179.371 176.870 0.027 0.000 1.086 324 L CA 0.776 55.635 54.840 0.032 0.000 0.760 324 L CB -0.460 41.648 42.059 0.081 0.000 0.910 324 L HN 0.356 nan 8.230 nan 0.000 0.437 325 L N -0.402 120.835 121.223 0.025 0.000 2.083 325 L HA -0.210 4.133 4.340 0.005 0.000 0.209 325 L C 2.314 179.190 176.870 0.010 0.000 1.083 325 L CA 1.256 56.107 54.840 0.018 0.000 0.752 325 L CB -0.429 41.638 42.059 0.014 0.000 0.899 325 L HN 0.288 nan 8.230 nan 0.000 0.433 326 E N -0.179 120.025 120.200 0.006 0.000 2.338 326 E HA -0.145 4.208 4.350 0.005 0.000 0.197 326 E C 1.707 178.308 176.600 0.002 0.000 1.007 326 E CA 0.550 56.952 56.400 0.002 0.000 0.849 326 E CB 0.143 29.843 29.700 -0.001 0.000 0.774 326 E HN 0.417 nan 8.360 nan 0.000 0.506 327 R N -0.224 120.278 120.500 0.003 0.000 2.397 327 R HA 0.267 4.610 4.340 0.005 0.000 0.241 327 R C -0.224 176.079 176.300 0.005 0.000 0.914 327 R CA -0.053 56.047 56.100 0.001 0.000 1.071 327 R CB 0.659 30.956 30.300 -0.004 0.000 1.116 327 R HN -0.020 nan 8.270 nan 0.000 0.524 328 L N 2.383 123.611 121.223 0.009 0.000 2.356 328 L HA 0.486 4.829 4.340 0.005 0.000 0.277 328 L C -2.263 174.612 176.870 0.009 0.000 0.996 328 L CA -2.290 52.557 54.840 0.011 0.000 0.822 328 L CB 2.238 44.308 42.059 0.018 0.000 1.256 328 L HN -0.154 nan 8.230 nan 0.000 0.413 329 P HA 0.315 nan 4.420 nan 0.000 0.276 329 P C -2.697 174.607 177.300 0.007 0.000 1.244 329 P CA -1.521 61.583 63.100 0.006 0.000 0.801 329 P CB 0.109 31.812 31.700 0.005 0.000 1.006 330 P HA 0.148 nan 4.420 nan 0.000 0.270 330 P C -0.238 177.065 177.300 0.005 0.000 1.227 330 P CA 0.303 63.407 63.100 0.005 0.000 0.788 330 P CB 0.323 32.026 31.700 0.004 0.000 0.926 331 S N -0.024 115.679 115.700 0.005 0.000 2.537 331 S HA 0.363 4.836 4.470 0.005 0.000 0.270 331 S C -0.730 173.872 174.600 0.004 0.000 1.142 331 S CA -0.622 57.581 58.200 0.005 0.000 0.870 331 S CB 0.754 63.958 63.200 0.007 0.000 1.112 331 S HN 0.476 nan 8.310 nan 0.000 0.466 332 D N 1.632 122.034 120.400 0.004 0.000 2.395 332 D HA 0.108 4.751 4.640 0.005 0.000 0.213 332 D C 0.580 176.882 176.300 0.003 0.000 1.110 332 D CA -0.395 53.607 54.000 0.003 0.000 0.835 332 D CB -0.188 40.613 40.800 0.002 0.000 0.965 332 D HN 0.454 nan 8.370 nan 0.000 0.505 333 R N 0.370 120.872 120.500 0.004 0.000 2.523 333 R HA 0.134 4.478 4.340 0.005 0.000 0.281 333 R C -0.692 175.610 176.300 0.003 0.000 0.969 333 R CA 0.803 56.906 56.100 0.004 0.000 1.093 333 R CB 0.127 30.430 30.300 0.006 0.000 0.917 333 R HN -0.036 nan 8.270 nan 0.000 0.408 334 T N 2.772 117.328 114.554 0.003 0.000 2.971 334 T HA 0.190 4.543 4.350 0.005 0.000 0.304 334 T C 0.015 174.717 174.700 0.003 0.000 1.038 334 T CA -0.687 61.415 62.100 0.003 0.000 1.007 334 T CB 1.846 70.716 68.868 0.002 0.000 1.055 334 T HN 0.698 nan 8.240 nan 0.000 0.451 335 T N -0.384 114.172 114.554 0.003 0.000 3.252 335 T HA 0.309 4.662 4.350 0.005 0.000 0.286 335 T C 0.483 175.185 174.700 0.004 0.000 1.013 335 T CA -0.648 61.454 62.100 0.004 0.000 0.914 335 T CB 0.053 68.924 68.868 0.004 0.000 1.131 335 T HN 0.350 nan 8.240 nan 0.000 0.529 336 R N 0.543 121.046 120.500 0.004 0.000 2.694 336 R HA 0.601 4.945 4.340 0.005 0.000 0.268 336 R C 0.612 176.916 176.300 0.007 0.000 1.061 336 R CA 0.341 56.444 56.100 0.005 0.000 1.133 336 R CB 0.508 30.811 30.300 0.004 0.000 1.020 336 R HN 0.523 nan 8.270 nan 0.000 0.475 337 G N 0.659 109.464 108.800 0.009 0.000 2.548 337 G HA2 0.212 4.175 3.960 0.005 0.000 0.301 337 G HA3 0.212 4.175 3.960 0.005 0.000 0.301 337 G C -1.449 173.460 174.900 0.014 0.000 1.349 337 G CA -0.894 44.212 45.100 0.010 0.000 0.792 337 G HN 0.346 nan 8.290 nan 0.000 0.481 338 K N 1.194 121.602 120.400 0.014 0.000 2.436 338 K HA 0.483 4.807 4.320 0.005 0.000 0.275 338 K C 0.931 177.546 176.600 0.024 0.000 0.999 338 K CA 0.749 57.047 56.287 0.019 0.000 0.980 338 K CB 0.311 32.820 32.500 0.015 0.000 0.919 338 K HN 0.856 nan 8.250 nan 0.000 0.484 339 E N 3.932 124.155 120.200 0.038 0.000 3.417 339 E HA -0.115 4.238 4.350 0.005 0.000 0.279 339 E C -2.160 174.464 176.600 0.039 0.000 0.851 339 E CA -0.244 56.189 56.400 0.056 0.000 0.980 339 E CB -1.134 28.621 29.700 0.092 0.000 0.934 339 E HN 0.350 nan 8.360 nan 0.000 0.541 340 P HA 0.327 nan 4.420 nan 0.000 0.292 340 P C -0.214 177.120 177.300 0.057 0.000 1.283 340 P CA -0.103 63.016 63.100 0.032 0.000 0.835 340 P CB 0.759 32.475 31.700 0.026 0.000 1.017 341 H N 1.385 120.383 119.070 -0.119 0.000 3.665 341 H HA -0.160 4.399 4.556 0.005 0.000 0.316 341 H C -1.368 173.783 175.328 -0.296 0.000 0.870 341 H CA 0.352 56.275 56.048 -0.210 0.000 0.947 341 H CB -1.017 28.582 29.762 -0.272 0.000 1.453 341 H HN 0.685 nan 8.280 nan 0.000 0.339 342 A N 6.656 129.228 122.820 -0.413 0.000 2.409 342 A HA 0.426 4.749 4.320 0.005 0.000 0.267 342 A C -0.523 176.851 177.584 -0.349 0.000 1.127 342 A CA -0.352 51.531 52.037 -0.256 0.000 0.795 342 A CB 0.088 18.997 19.000 -0.152 0.000 1.061 342 A HN 0.448 nan 8.150 nan 0.000 0.502 343 Y N 3.635 123.946 120.300 0.018 0.000 2.335 343 Y HA 0.318 4.871 4.550 0.006 0.000 0.331 343 Y C -1.448 174.462 175.900 0.016 0.000 1.094 343 Y CA -1.722 56.419 58.100 0.068 0.000 1.253 343 Y CB 0.563 39.083 38.460 0.100 0.000 1.203 343 Y HN 0.530 nan 8.280 nan 0.000 0.508 344 P HA 0.086 nan 4.420 nan 0.000 0.271 344 P C -0.464 176.895 177.300 0.098 0.000 1.220 344 P CA -0.025 63.131 63.100 0.094 0.000 0.768 344 P CB 1.115 32.864 31.700 0.083 0.000 0.848 345 T N -2.443 112.147 114.554 0.060 0.000 2.804 345 T HA 0.649 5.002 4.350 0.005 0.000 0.290 345 T C 0.386 175.102 174.700 0.026 0.000 1.099 345 T CA -0.324 61.802 62.100 0.044 0.000 1.011 345 T CB 1.025 69.917 68.868 0.039 0.000 1.291 345 T HN 0.590 nan 8.240 nan 0.000 0.523 346 G N 0.550 109.360 108.800 0.016 0.000 2.368 346 G HA2 -0.066 3.897 3.960 0.005 0.000 0.290 346 G HA3 -0.066 3.897 3.960 0.005 0.000 0.290 346 G C -0.265 174.640 174.900 0.008 0.000 1.098 346 G CA -0.122 44.983 45.100 0.009 0.000 1.073 346 G HN 1.255 nan 8.290 nan 0.000 0.511 347 L N 0.360 121.588 121.223 0.007 0.000 2.499 347 L HA 0.382 4.725 4.340 0.005 0.000 0.273 347 L C 0.596 177.467 176.870 0.002 0.000 1.195 347 L CA 0.129 54.972 54.840 0.005 0.000 0.882 347 L CB 0.580 42.641 42.059 0.004 0.000 1.133 347 L HN 0.373 nan 8.230 nan 0.000 0.483 348 Q N 5.715 125.516 119.800 0.001 0.000 2.472 348 Q HA 0.287 4.630 4.340 0.005 0.000 0.227 348 Q C 0.008 176.007 176.000 -0.002 0.000 1.156 348 Q CA 0.082 55.885 55.803 -0.000 0.000 0.924 348 Q CB 0.925 29.663 28.738 -0.000 0.000 1.354 348 Q HN 0.779 nan 8.270 nan 0.000 0.525 349 A N 3.805 126.624 122.820 -0.002 0.000 3.030 349 A HA 0.198 4.522 4.320 0.005 0.000 0.273 349 A C 0.033 177.615 177.584 -0.002 0.000 1.841 349 A CA -0.253 51.783 52.037 -0.002 0.000 1.479 349 A CB -0.611 18.389 19.000 -0.001 0.000 1.048 349 A HN 0.603 nan 8.150 nan 0.000 0.612 350 D N -0.637 119.761 120.400 -0.003 0.000 2.784 350 D HA 0.486 5.129 4.640 0.005 0.000 0.256 350 D C 1.059 177.357 176.300 -0.004 0.000 1.129 350 D CA 0.128 54.126 54.000 -0.003 0.000 1.102 350 D CB 0.076 40.874 40.800 -0.002 0.000 1.330 350 D HN -0.006 nan 8.370 nan 0.000 0.626 351 G N -1.201 107.597 108.800 -0.003 0.000 3.088 351 G HA2 0.039 4.002 3.960 0.005 0.000 0.212 351 G HA3 0.039 4.002 3.960 0.005 0.000 0.212 351 G C 0.168 175.066 174.900 -0.004 0.000 1.173 351 G CA -0.090 45.008 45.100 -0.003 0.000 0.779 351 G HN 0.212 nan 8.290 nan 0.000 0.540 352 E N 1.271 121.468 120.200 -0.005 0.000 2.374 352 E HA 0.212 4.565 4.350 0.005 0.000 0.260 352 E C -2.035 174.561 176.600 -0.008 0.000 1.101 352 E CA -2.085 54.312 56.400 -0.005 0.000 0.907 352 E CB 0.918 30.615 29.700 -0.005 0.000 1.014 352 E HN 0.092 nan 8.360 nan 0.000 0.427 353 P HA 0.103 nan 4.420 nan 0.000 0.271 353 P C 0.016 177.306 177.300 -0.018 0.000 1.244 353 P CA 0.052 63.145 63.100 -0.011 0.000 0.793 353 P CB 0.575 32.271 31.700 -0.007 0.000 0.984 354 I N 0.152 120.706 120.570 -0.028 0.000 2.396 354 I HA 0.424 4.597 4.170 0.005 0.000 0.292 354 I C 0.684 176.774 176.117 -0.045 0.000 0.999 354 I CA -0.437 60.835 61.300 -0.046 0.000 1.310 354 I CB 1.130 39.084 38.000 -0.077 0.000 1.404 354 I HN 0.333 nan 8.210 nan 0.000 0.496 355 A N 7.237 130.032 122.820 -0.041 0.000 2.354 355 A HA 0.680 5.003 4.320 0.005 0.000 0.321 355 A C -2.149 175.414 177.584 -0.034 0.000 1.125 355 A CA -1.692 50.333 52.037 -0.020 0.000 0.799 355 A CB 1.075 20.077 19.000 0.003 0.000 1.293 355 A HN 0.477 nan 8.150 nan 0.000 0.452 356 P HA -0.187 nan 4.420 nan 0.000 0.216 356 P C 1.530 178.877 177.300 0.077 0.000 1.154 356 P CA 1.533 64.675 63.100 0.071 0.000 0.865 356 P CB -0.001 31.837 31.700 0.229 0.000 0.789 357 M N -1.031 118.613 119.600 0.074 0.000 2.279 357 M HA -0.122 4.362 4.480 0.005 0.000 0.264 357 M C 1.312 177.639 176.300 0.045 0.000 1.062 357 M CA 1.476 56.820 55.300 0.073 0.000 1.099 357 M CB -1.559 31.077 32.600 0.060 0.000 1.394 357 M HN 0.012 nan 8.290 nan 0.000 0.426 358 D N 0.248 120.655 120.400 0.010 0.000 2.149 358 D HA -0.034 4.609 4.640 0.005 0.000 0.201 358 D C 2.165 178.457 176.300 -0.013 0.000 0.972 358 D CA 1.047 55.044 54.000 -0.005 0.000 0.835 358 D CB 0.021 40.806 40.800 -0.025 0.000 0.966 358 D HN 0.373 nan 8.370 nan 0.000 0.476 359 I N 1.444 121.985 120.570 -0.049 0.000 2.226 359 I HA -0.232 3.941 4.170 0.005 0.000 0.245 359 I C 2.583 178.725 176.117 0.041 0.000 1.100 359 I CA 0.846 62.111 61.300 -0.059 0.000 1.374 359 I CB -0.217 37.643 38.000 -0.232 0.000 1.057 359 I HN -0.094 nan 8.210 nan 0.000 0.413 360 A N 1.019 123.891 122.820 0.086 0.000 1.877 360 A HA -0.208 4.115 4.320 0.005 0.000 0.216 360 A C 2.402 180.041 177.584 0.091 0.000 1.186 360 A CA 1.533 53.644 52.037 0.125 0.000 0.620 360 A CB -0.571 18.523 19.000 0.157 0.000 0.822 360 A HN 0.315 nan 8.150 nan 0.000 0.443 361 R N -0.598 119.942 120.500 0.066 0.000 2.096 361 R HA -0.052 4.291 4.340 0.005 0.000 0.235 361 R C 2.455 178.773 176.300 0.030 0.000 1.127 361 R CA 1.099 57.228 56.100 0.048 0.000 0.968 361 R CB -0.440 29.880 30.300 0.034 0.000 0.861 361 R HN 0.523 nan 8.270 nan 0.000 0.440 362 A N 0.634 123.469 122.820 0.026 0.000 1.902 362 A HA -0.110 4.213 4.320 0.005 0.000 0.217 362 A C 2.332 179.928 177.584 0.021 0.000 1.181 362 A CA 1.326 53.375 52.037 0.019 0.000 0.623 362 A CB -0.470 18.542 19.000 0.020 0.000 0.818 362 A HN 0.110 nan 8.150 nan 0.000 0.443 363 V N 0.939 120.879 119.914 0.044 0.000 2.307 363 V HA -0.232 3.891 4.120 0.005 0.000 0.245 363 V C 2.249 178.335 176.094 -0.014 0.000 1.045 363 V CA 2.124 64.451 62.300 0.045 0.000 1.024 363 V CB -0.954 30.925 31.823 0.093 0.000 0.651 363 V HN 0.549 nan 8.190 nan 0.000 0.449 364 N N 0.281 118.980 118.700 -0.001 0.000 2.166 364 N HA -0.148 4.596 4.740 0.005 0.000 0.186 364 N C 1.522 177.007 175.510 -0.041 0.000 1.019 364 N CA 1.436 54.468 53.050 -0.030 0.000 0.856 364 N CB -0.485 38.014 38.487 0.019 0.000 0.993 364 N HN 0.454 nan 8.380 nan 0.000 0.426 365 D N 0.706 121.090 120.400 -0.027 0.000 2.117 365 D HA -0.075 4.568 4.640 0.005 0.000 0.197 365 D C 1.994 178.252 176.300 -0.069 0.000 0.987 365 D CA 0.730 54.710 54.000 -0.035 0.000 0.829 365 D CB -0.090 40.697 40.800 -0.022 0.000 0.961 365 D HN 0.255 nan 8.370 nan 0.000 0.460 366 R N 0.272 120.710 120.500 -0.104 0.000 2.081 366 R HA -0.079 4.264 4.340 0.005 0.000 0.235 366 R C 2.369 178.563 176.300 -0.177 0.000 1.131 366 R CA 0.687 56.682 56.100 -0.175 0.000 0.960 366 R CB -0.378 29.737 30.300 -0.309 0.000 0.856 366 R HN 0.099 nan 8.270 nan 0.000 0.436 367 V N 1.052 120.872 119.914 -0.157 0.000 2.295 367 V HA -0.234 3.889 4.120 0.005 0.000 0.246 367 V C 2.343 178.379 176.094 -0.097 0.000 1.049 367 V CA 1.603 63.823 62.300 -0.135 0.000 1.024 367 V CB -0.426 31.319 31.823 -0.130 0.000 0.648 367 V HN 0.259 nan 8.190 nan 0.000 0.447 368 R N 0.368 120.822 120.500 -0.077 0.000 2.152 368 R HA 0.007 4.350 4.340 0.005 0.000 0.232 368 R C 2.044 178.315 176.300 -0.049 0.000 1.117 368 R CA 1.308 57.377 56.100 -0.051 0.000 0.981 368 R CB -0.973 29.309 30.300 -0.030 0.000 0.870 368 R HN 0.535 nan 8.270 nan 0.000 0.451 369 A N -0.452 122.331 122.820 -0.062 0.000 2.238 369 A HA 0.304 4.628 4.320 0.005 0.000 0.208 369 A C 1.316 178.863 177.584 -0.061 0.000 1.177 369 A CA 0.958 52.961 52.037 -0.056 0.000 0.804 369 A CB 0.077 19.040 19.000 -0.062 0.000 0.823 369 A HN 0.406 nan 8.150 nan 0.000 0.482 370 G N -1.665 107.094 108.800 -0.069 0.000 2.229 370 G HA2 -0.181 3.782 3.960 0.005 0.000 0.189 370 G HA3 -0.181 3.782 3.960 0.005 0.000 0.189 370 G C 0.209 175.062 174.900 -0.078 0.000 1.000 370 G CA 0.103 45.166 45.100 -0.062 0.000 0.663 370 G HN 0.611 nan 8.290 nan 0.000 0.493 371 Q N 0.998 120.726 119.800 -0.121 0.000 2.296 371 Q HA 0.401 4.744 4.340 0.005 0.000 0.262 371 Q C -0.035 175.901 176.000 -0.105 0.000 0.981 371 Q CA -0.190 55.524 55.803 -0.149 0.000 0.905 371 Q CB 0.691 29.244 28.738 -0.309 0.000 1.186 371 Q HN 0.280 nan 8.270 nan 0.000 0.399 372 E N 5.587 125.753 120.200 -0.056 0.000 2.376 372 E HA 0.149 4.502 4.350 0.005 0.000 0.266 372 E C -2.342 174.248 176.600 -0.017 0.000 1.009 372 E CA -1.414 54.970 56.400 -0.027 0.000 0.902 372 E CB 0.614 30.315 29.700 0.002 0.000 0.972 372 E HN 0.388 nan 8.360 nan 0.000 0.439 373 P HA 0.024 nan 4.420 nan 0.000 0.267 373 P C -0.755 176.574 177.300 0.050 0.000 1.200 373 P CA 0.229 63.325 63.100 -0.007 0.000 0.772 373 P CB 0.450 32.123 31.700 -0.045 0.000 0.855 374 L N 2.024 123.306 121.223 0.098 0.000 2.344 374 L HA 0.451 4.794 4.340 0.005 0.000 0.272 374 L C 0.628 177.549 176.870 0.084 0.000 1.035 374 L CA -1.227 53.684 54.840 0.119 0.000 0.807 374 L CB 0.998 43.160 42.059 0.172 0.000 1.237 374 L HN 0.304 nan 8.230 nan 0.000 0.442 375 L N 2.306 123.585 121.223 0.093 0.000 2.426 375 L HA 0.360 4.703 4.340 0.005 0.000 0.271 375 L C -0.581 176.336 176.870 0.079 0.000 1.169 375 L CA 0.151 55.041 54.840 0.083 0.000 0.836 375 L CB 0.607 42.754 42.059 0.145 0.000 1.112 375 L HN 0.394 nan 8.230 nan 0.000 0.465 376 I N 4.801 125.409 120.570 0.063 0.000 2.404 376 I HA 0.488 4.662 4.170 0.005 0.000 0.293 376 I C -0.097 176.060 176.117 0.067 0.000 0.992 376 I CA -0.551 60.788 61.300 0.063 0.000 1.149 376 I CB 1.767 39.808 38.000 0.067 0.000 1.315 376 I HN 0.711 nan 8.210 nan 0.000 0.446 377 A N 5.257 128.107 122.820 0.050 0.000 2.288 377 A HA 0.879 5.202 4.320 0.005 0.000 0.320 377 A C -0.435 177.180 177.584 0.052 0.000 1.217 377 A CA -0.424 51.647 52.037 0.056 0.000 0.840 377 A CB 0.989 19.968 19.000 -0.035 0.000 1.179 377 A HN 0.792 nan 8.150 nan 0.000 0.504 378 A N 2.308 125.191 122.820 0.104 0.000 2.365 378 A HA 0.676 4.999 4.320 0.005 0.000 0.318 378 A C -0.311 177.305 177.584 0.054 0.000 1.091 378 A CA -0.586 51.475 52.037 0.039 0.000 0.763 378 A CB 0.914 19.927 19.000 0.022 0.000 1.248 378 A HN 0.815 nan 8.150 nan 0.000 0.442 379 D N 0.468 120.844 120.400 -0.040 0.000 2.478 379 D HA 0.396 5.039 4.640 0.005 0.000 0.274 379 D C -0.332 175.900 176.300 -0.114 0.000 1.234 379 D CA -0.178 53.784 54.000 -0.063 0.000 1.069 379 D CB 0.869 41.601 40.800 -0.114 0.000 1.113 379 D HN 0.449 nan 8.370 nan 0.000 0.571 380 M N 0.015 119.535 119.600 -0.133 0.000 2.233 380 M HA 0.452 4.935 4.480 0.005 0.000 0.355 380 M C -0.150 176.091 176.300 -0.097 0.000 1.191 380 M CA 0.262 55.473 55.300 -0.148 0.000 1.101 380 M CB 0.583 33.083 32.600 -0.168 0.000 1.592 380 M HN 0.472 nan 8.290 nan 0.000 0.461 381 G N 3.512 112.285 108.800 -0.045 0.000 2.357 381 G HA2 -0.031 3.932 3.960 0.005 0.000 0.289 381 G HA3 -0.031 3.932 3.960 0.005 0.000 0.289 381 G C -0.490 174.432 174.900 0.036 0.000 1.302 381 G CA -0.206 44.880 45.100 -0.024 0.000 0.936 381 G HN 0.585 nan 8.290 nan 0.000 0.513 382 D N -0.412 119.969 120.400 -0.033 0.000 2.309 382 D HA -0.098 4.546 4.640 0.005 0.000 0.212 382 D C 2.592 178.855 176.300 -0.063 0.000 0.968 382 D CA 2.112 56.120 54.000 0.013 0.000 0.882 382 D CB -0.460 40.355 40.800 0.025 0.000 0.918 382 D HN 0.764 nan 8.370 nan 0.000 0.503 383 C N -0.613 118.453 119.300 -0.390 0.000 2.413 383 C HA -0.077 4.386 4.460 0.005 0.000 0.277 383 C C 2.537 177.369 174.990 -0.264 0.000 1.265 383 C CA 0.303 58.837 59.018 -0.807 0.000 1.752 383 C CB -1.472 25.747 27.740 -0.868 0.000 1.998 383 C HN 0.323 nan 8.230 nan 0.000 0.489 384 L N 0.405 121.573 121.223 -0.093 0.000 2.044 384 L HA 0.183 4.526 4.340 0.005 0.000 0.205 384 L C 2.341 179.229 176.870 0.030 0.000 1.075 384 L CA 1.709 56.526 54.840 -0.037 0.000 0.747 384 L CB -1.168 40.807 42.059 -0.140 0.000 0.903 384 L HN 0.301 nan 8.230 nan 0.000 0.435 385 F N -0.323 119.629 119.950 0.004 0.000 2.216 385 F HA -0.189 4.342 4.527 0.007 0.000 0.300 385 F C 2.282 178.134 175.800 0.087 0.000 1.085 385 F CA 1.705 59.749 58.000 0.074 0.000 1.326 385 F CB -0.856 38.161 39.000 0.028 0.000 1.027 385 F HN 0.075 nan 8.300 nan 0.000 0.497 386 T N -0.528 114.179 114.554 0.256 0.000 2.851 386 T HA -0.072 4.281 4.350 0.005 0.000 0.262 386 T C 2.279 177.108 174.700 0.215 0.000 1.043 386 T CA 1.029 63.285 62.100 0.259 0.000 1.140 386 T CB -0.498 68.603 68.868 0.389 0.000 0.872 386 T HN 0.282 nan 8.240 nan 0.000 0.446 387 A N 1.932 124.848 122.820 0.160 0.000 2.019 387 A HA -0.054 4.270 4.320 0.005 0.000 0.219 387 A C 2.207 179.876 177.584 0.141 0.000 1.164 387 A CA 1.112 53.235 52.037 0.144 0.000 0.644 387 A CB -0.614 18.446 19.000 0.101 0.000 0.805 387 A HN 0.300 nan 8.150 nan 0.000 0.449 388 M N -0.003 119.669 119.600 0.120 0.000 2.358 388 M HA -0.094 4.389 4.480 0.005 0.000 0.264 388 M C 0.209 176.581 176.300 0.121 0.000 1.064 388 M CA 1.122 56.464 55.300 0.071 0.000 1.093 388 M CB -0.956 31.631 32.600 -0.022 0.000 1.401 388 M HN 0.258 nan 8.290 nan 0.000 0.440 389 D N -0.205 120.325 120.400 0.217 0.000 2.427 389 D HA 0.272 4.916 4.640 0.005 0.000 0.224 389 D C 0.047 176.610 176.300 0.439 0.000 1.157 389 D CA 0.157 54.364 54.000 0.345 0.000 0.828 389 D CB 0.302 41.264 40.800 0.269 0.000 0.974 389 D HN 0.284 nan 8.370 nan 0.000 0.498 390 M N 0.538 120.330 119.600 0.320 0.000 2.364 390 M HA 0.385 4.868 4.480 0.005 0.000 0.334 390 M C -0.012 176.270 176.300 -0.031 0.000 1.107 390 M CA -0.733 54.664 55.300 0.163 0.000 0.988 390 M CB 2.657 35.332 32.600 0.126 0.000 1.673 390 M HN -0.279 nan 8.290 nan 0.000 0.441 391 I N 3.097 123.468 120.570 -0.330 0.000 2.452 391 I HA 0.051 4.224 4.170 0.005 0.000 0.287 391 I C -0.259 175.733 176.117 -0.208 0.000 1.079 391 I CA 0.100 61.066 61.300 -0.557 0.000 1.387 391 I CB 0.094 37.757 38.000 -0.562 0.000 1.404 391 I HN 0.684 nan 8.210 nan 0.000 0.522 392 D N 5.018 125.331 120.400 -0.147 0.000 2.614 392 D HA 0.644 5.287 4.640 0.005 0.000 0.264 392 D C -0.484 175.783 176.300 -0.055 0.000 1.092 392 D CA -0.880 53.085 54.000 -0.059 0.000 1.071 392 D CB 1.599 42.386 40.800 -0.022 0.000 1.443 392 D HN 0.391 nan 8.370 nan 0.000 0.528 393 A N -0.247 122.558 122.820 -0.025 0.000 2.911 393 A HA 0.740 5.063 4.320 0.005 0.000 0.304 393 A C 0.578 178.139 177.584 -0.040 0.000 1.144 393 A CA 0.161 52.181 52.037 -0.029 0.000 0.988 393 A CB -0.926 18.074 19.000 -0.001 0.000 1.141 393 A HN 1.400 nan 8.150 nan 0.000 0.552 394 G N -0.711 108.058 108.800 -0.053 0.000 2.592 394 G HA2 0.388 4.352 3.960 0.005 0.000 0.685 394 G HA3 0.388 4.352 3.960 0.005 0.000 0.685 394 G C -1.512 173.360 174.900 -0.046 0.000 1.278 394 G CA -0.344 44.713 45.100 -0.073 0.000 0.822 394 G HN 1.396 nan 8.290 nan 0.000 0.652 395 L N 2.264 123.438 121.223 -0.082 0.000 2.409 395 L HA 0.928 5.271 4.340 0.005 0.000 0.272 395 L C -0.282 176.559 176.870 -0.048 0.000 0.980 395 L CA -0.943 53.869 54.840 -0.047 0.000 0.826 395 L CB 1.877 43.889 42.059 -0.077 0.000 1.268 395 L HN 0.909 nan 8.230 nan 0.000 0.407 396 M N 5.203 124.842 119.600 0.067 0.000 2.181 396 M HA 0.870 5.353 4.480 0.005 0.000 0.323 396 M C -1.274 175.178 176.300 0.253 0.000 1.004 396 M CA -0.218 55.171 55.300 0.148 0.000 0.941 396 M CB 1.392 34.115 32.600 0.205 0.000 1.579 396 M HN 0.887 nan 8.290 nan 0.000 0.427 397 A N 5.433 128.334 122.820 0.135 0.000 2.597 397 A HA 0.741 5.064 4.320 0.005 0.000 0.292 397 A C -2.928 174.410 177.584 -0.410 0.000 1.057 397 A CA -0.886 51.113 52.037 -0.063 0.000 0.674 397 A CB 1.286 20.344 19.000 0.097 0.000 1.278 397 A HN 0.597 nan 8.150 nan 0.000 0.416 398 P HA 0.154 nan 4.420 nan 0.000 0.218 398 P C 1.065 178.103 177.300 -0.438 0.000 1.793 398 P CA 0.600 63.378 63.100 -0.537 0.000 0.941 398 P CB -0.175 31.244 31.700 -0.467 0.000 1.919 399 G N 0.278 108.749 108.800 -0.549 0.000 2.479 399 G HA2 -0.249 3.715 3.960 0.005 0.000 0.220 399 G HA3 -0.249 3.715 3.960 0.005 0.000 0.220 399 G C 0.633 175.249 174.900 -0.473 0.000 1.115 399 G CA 0.792 45.326 45.100 -0.943 0.000 0.757 399 G HN 0.249 nan 8.290 nan 0.000 0.560 400 Y N -2.244 117.905 120.300 -0.251 0.000 2.506 400 Y HA 0.241 4.795 4.550 0.005 0.000 0.287 400 Y C 2.197 178.053 175.900 -0.073 0.000 1.147 400 Y CA -0.862 57.162 58.100 -0.126 0.000 1.241 400 Y CB -1.100 37.363 38.460 0.005 0.000 1.279 400 Y HN 0.175 nan 8.280 nan 0.000 0.527 401 Y N 1.452 121.748 120.300 -0.008 0.000 2.293 401 Y HA 0.134 4.689 4.550 0.007 0.000 0.291 401 Y C 1.826 177.663 175.900 -0.106 0.000 1.137 401 Y CA 1.057 59.133 58.100 -0.041 0.000 1.202 401 Y CB -0.437 37.997 38.460 -0.044 0.000 0.990 401 Y HN 0.179 nan 8.280 nan 0.000 0.537 402 A N -0.177 122.535 122.820 -0.179 0.000 2.832 402 A HA -0.176 4.148 4.320 0.005 0.000 0.280 402 A C 0.883 178.295 177.584 -0.287 0.000 1.464 402 A CA 0.757 52.629 52.037 -0.275 0.000 0.804 402 A CB -2.164 16.672 19.000 -0.274 0.000 1.020 402 A HN 0.834 nan 8.150 nan 0.000 0.563 403 G N -0.964 107.701 108.800 -0.226 0.000 2.356 403 G HA2 0.563 4.526 3.960 0.005 0.000 0.298 403 G HA3 0.563 4.526 3.960 0.005 0.000 0.298 403 G C 0.023 174.884 174.900 -0.064 0.000 1.145 403 G CA -0.411 44.601 45.100 -0.147 0.000 0.850 403 G HN 0.497 nan 8.290 nan 0.000 0.487 404 M N 1.212 120.771 119.600 -0.068 0.000 2.228 404 M HA 0.430 4.913 4.480 0.005 0.000 0.326 404 M C 1.422 177.689 176.300 -0.055 0.000 1.122 404 M CA 1.431 56.687 55.300 -0.073 0.000 1.161 404 M CB 1.318 33.880 32.600 -0.064 0.000 1.437 404 M HN 0.933 nan 8.290 nan 0.000 0.465 405 G N 0.797 109.508 108.800 -0.147 0.000 2.232 405 G HA2 -0.280 3.683 3.960 0.005 0.000 0.226 405 G HA3 -0.280 3.683 3.960 0.005 0.000 0.226 405 G C 0.525 175.044 174.900 -0.636 0.000 0.996 405 G CA 0.328 45.308 45.100 -0.200 0.000 0.626 405 G HN 0.730 nan 8.290 nan 0.000 0.509 406 F N 2.429 121.729 119.950 -1.085 0.000 2.134 406 F HA 0.170 4.700 4.527 0.006 0.000 0.299 406 F C 2.462 177.896 175.800 -0.611 0.000 1.097 406 F CA 2.686 59.905 58.000 -1.301 0.000 1.264 406 F CB -0.500 38.041 39.000 -0.766 0.000 1.001 406 F HN 0.248 nan 8.300 nan 0.000 0.479 407 G N 0.428 109.076 108.800 -0.252 0.000 2.721 407 G HA2 -0.330 3.633 3.960 0.005 0.000 0.218 407 G HA3 -0.330 3.633 3.960 0.005 0.000 0.218 407 G C 1.742 176.464 174.900 -0.297 0.000 1.265 407 G CA 1.827 46.800 45.100 -0.212 0.000 0.796 407 G HN 0.327 nan 8.290 nan 0.000 0.620 408 V N 2.228 121.963 119.914 -0.300 0.000 2.295 408 V HA -0.098 4.025 4.120 0.005 0.000 0.246 408 V C 0.353 176.266 176.094 -0.302 0.000 1.049 408 V CA 2.339 64.463 62.300 -0.294 0.000 1.024 408 V CB -0.990 30.608 31.823 -0.376 0.000 0.648 408 V HN 0.303 nan 8.190 nan 0.000 0.447 409 P HA -0.114 nan 4.420 nan 0.000 0.218 409 P C 1.616 178.688 177.300 -0.380 0.000 1.149 409 P CA 1.814 64.758 63.100 -0.259 0.000 0.817 409 P CB -0.101 31.546 31.700 -0.088 0.000 0.785 410 A N -0.162 122.305 122.820 -0.589 0.000 1.898 410 A HA -0.034 4.290 4.320 0.005 0.000 0.216 410 A C 2.481 179.838 177.584 -0.379 0.000 1.181 410 A CA 1.915 53.539 52.037 -0.688 0.000 0.620 410 A CB -1.864 16.361 19.000 -1.291 0.000 0.819 410 A HN 0.257 nan 8.150 nan 0.000 0.442 411 G N 0.044 108.665 108.800 -0.298 0.000 2.440 411 G HA2 -0.209 3.755 3.960 0.005 0.000 0.218 411 G HA3 -0.209 3.755 3.960 0.005 0.000 0.218 411 G C 1.527 176.316 174.900 -0.185 0.000 1.154 411 G CA 1.174 46.161 45.100 -0.188 0.000 0.767 411 G HN 0.472 nan 8.290 nan 0.000 0.552 412 I N 1.067 121.512 120.570 -0.208 0.000 2.202 412 I HA -0.063 4.110 4.170 0.005 0.000 0.242 412 I C 3.091 179.105 176.117 -0.171 0.000 1.091 412 I CA 1.024 62.222 61.300 -0.171 0.000 1.368 412 I CB -0.421 37.483 38.000 -0.161 0.000 1.058 412 I HN 0.249 nan 8.210 nan 0.000 0.410 413 G N 0.370 109.004 108.800 -0.276 0.000 2.418 413 G HA2 -0.241 3.723 3.960 0.005 0.000 0.217 413 G HA3 -0.241 3.723 3.960 0.005 0.000 0.217 413 G C 1.843 176.654 174.900 -0.147 0.000 1.158 413 G CA 0.838 45.734 45.100 -0.341 0.000 0.771 413 G HN 0.489 nan 8.290 nan 0.000 0.545 414 A N 0.188 122.888 122.820 -0.200 0.000 1.873 414 A HA -0.078 4.245 4.320 0.005 0.000 0.215 414 A C 2.278 179.620 177.584 -0.403 0.000 1.186 414 A CA 2.019 53.890 52.037 -0.276 0.000 0.616 414 A CB -0.494 18.416 19.000 -0.150 0.000 0.823 414 A HN 0.446 nan 8.150 nan 0.000 0.442 415 Q N -1.088 118.563 119.800 -0.248 0.000 2.224 415 Q HA -0.146 4.197 4.340 0.005 0.000 0.203 415 Q C 1.935 177.827 176.000 -0.179 0.000 0.970 415 Q CA 1.486 57.160 55.803 -0.214 0.000 0.865 415 Q CB -0.385 28.275 28.738 -0.130 0.000 0.922 415 Q HN 0.691 nan 8.270 nan 0.000 0.445 416 C N -0.542 118.677 119.300 -0.135 0.000 2.419 416 C HA -0.075 4.388 4.460 0.005 0.000 0.281 416 C C 2.114 177.065 174.990 -0.066 0.000 1.336 416 C CA 1.002 59.944 59.018 -0.127 0.000 1.770 416 C CB -0.601 27.077 27.740 -0.103 0.000 1.929 416 C HN 0.622 nan 8.230 nan 0.000 0.509 417 V N -0.828 119.025 119.914 -0.100 0.000 3.319 417 V HA 0.235 4.359 4.120 0.005 0.000 0.317 417 V C 1.437 177.412 176.094 -0.198 0.000 1.411 417 V CA 1.029 63.280 62.300 -0.081 0.000 1.112 417 V CB -0.638 31.195 31.823 0.016 0.000 1.031 417 V HN 0.442 nan 8.190 nan 0.000 0.448 418 S N 0.226 115.726 115.700 -0.334 0.000 2.593 418 S HA 0.322 4.795 4.470 0.005 0.000 0.217 418 S C 1.636 176.219 174.600 -0.029 0.000 0.966 418 S CA 0.587 58.608 58.200 -0.298 0.000 0.914 418 S CB -0.404 62.566 63.200 -0.383 0.000 0.776 418 S HN 1.930 nan 8.310 nan 0.000 0.523 419 G N 0.768 109.555 108.800 -0.021 0.000 2.338 419 G HA2 0.094 4.057 3.960 0.005 0.000 0.296 419 G HA3 0.094 4.057 3.960 0.005 0.000 0.296 419 G C 1.067 175.975 174.900 0.014 0.000 1.040 419 G CA 0.349 45.457 45.100 0.014 0.000 1.004 419 G HN 1.827 nan 8.290 nan 0.000 0.509 420 G N -1.399 107.398 108.800 -0.005 0.000 2.217 420 G HA2 -0.265 3.698 3.960 0.005 0.000 0.246 420 G HA3 -0.265 3.698 3.960 0.005 0.000 0.246 420 G C 0.566 175.475 174.900 0.014 0.000 0.990 420 G CA 0.738 45.841 45.100 0.004 0.000 0.627 420 G HN 0.965 nan 8.290 nan 0.000 0.522 421 K N 1.274 121.689 120.400 0.025 0.000 2.412 421 K HA 0.260 4.583 4.320 0.005 0.000 0.284 421 K C 0.840 177.456 176.600 0.027 0.000 1.046 421 K CA -0.334 55.984 56.287 0.051 0.000 0.999 421 K CB 0.860 33.425 32.500 0.108 0.000 0.941 421 K HN 0.469 nan 8.250 nan 0.000 0.474 422 R N 2.679 123.201 120.500 0.036 0.000 2.543 422 R HA 0.169 4.513 4.340 0.005 0.000 0.277 422 R C 0.042 176.353 176.300 0.018 0.000 1.074 422 R CA -0.255 55.850 56.100 0.009 0.000 1.076 422 R CB 0.492 30.793 30.300 0.000 0.000 0.993 422 R HN 0.396 nan 8.270 nan 0.000 0.459 423 I N 4.896 125.456 120.570 -0.016 0.000 2.441 423 I HA 0.221 4.395 4.170 0.005 0.000 0.295 423 I C -0.471 175.633 176.117 -0.022 0.000 0.994 423 I CA -0.982 60.316 61.300 -0.003 0.000 1.144 423 I CB 1.358 39.337 38.000 -0.034 0.000 1.314 423 I HN 0.478 nan 8.210 nan 0.000 0.445 424 L N 6.126 127.354 121.223 0.009 0.000 2.272 424 L HA 0.543 4.886 4.340 0.005 0.000 0.289 424 L C -0.173 176.707 176.870 0.017 0.000 1.032 424 L CA 0.404 55.249 54.840 0.007 0.000 0.810 424 L CB 1.324 43.424 42.059 0.070 0.000 1.205 424 L HN 0.589 nan 8.230 nan 0.000 0.422 425 T N 5.030 119.585 114.554 0.002 0.000 2.823 425 T HA 0.654 5.008 4.350 0.005 0.000 0.279 425 T C -0.657 174.061 174.700 0.030 0.000 0.998 425 T CA -0.426 61.670 62.100 -0.007 0.000 0.994 425 T CB 1.475 70.312 68.868 -0.051 0.000 0.960 425 T HN 0.564 nan 8.240 nan 0.000 0.448 426 V N 1.139 121.064 119.914 0.019 0.000 2.555 426 V HA 0.982 5.105 4.120 0.005 0.000 0.302 426 V C -0.462 175.570 176.094 -0.104 0.000 1.038 426 V CA -0.861 61.453 62.300 0.023 0.000 0.887 426 V CB 1.418 33.255 31.823 0.023 0.000 0.991 426 V HN 0.711 nan 8.190 nan 0.000 0.434 427 V N 3.118 122.964 119.914 -0.113 0.000 3.077 427 V HA 0.890 5.014 4.120 0.005 0.000 0.299 427 V C 0.380 176.404 176.094 -0.117 0.000 1.276 427 V CA 0.516 62.735 62.300 -0.135 0.000 0.993 427 V CB 2.093 33.881 31.823 -0.058 0.000 1.076 427 V HN 1.467 nan 8.190 nan 0.000 0.434 428 G N 2.710 111.433 108.800 -0.128 0.000 2.547 428 G HA2 0.379 4.342 3.960 0.005 0.000 0.291 428 G HA3 0.379 4.342 3.960 0.005 0.000 0.291 428 G C 0.596 175.464 174.900 -0.054 0.000 1.211 428 G CA 0.376 45.451 45.100 -0.041 0.000 0.950 428 G HN 0.958 nan 8.290 nan 0.000 0.504 429 D N -0.460 119.928 120.400 -0.021 0.000 2.144 429 D HA -0.094 4.549 4.640 0.005 0.000 0.200 429 D C 2.209 178.482 176.300 -0.046 0.000 0.978 429 D CA 1.319 55.271 54.000 -0.080 0.000 0.833 429 D CB -0.907 39.971 40.800 0.130 0.000 0.961 429 D HN 0.475 nan 8.370 nan 0.000 0.470 430 G N 1.063 109.902 108.800 0.065 0.000 2.421 430 G HA2 -0.167 3.796 3.960 0.005 0.000 0.216 430 G HA3 -0.167 3.796 3.960 0.005 0.000 0.216 430 G C 1.866 176.846 174.900 0.134 0.000 1.171 430 G CA 1.711 46.937 45.100 0.210 0.000 0.775 430 G HN 0.518 nan 8.290 nan 0.000 0.543 431 A N -0.002 122.847 122.820 0.049 0.000 1.969 431 A HA 0.142 4.466 4.320 0.005 0.000 0.218 431 A C 2.162 179.660 177.584 -0.143 0.000 1.169 431 A CA 1.332 53.347 52.037 -0.036 0.000 0.635 431 A CB -0.484 18.470 19.000 -0.076 0.000 0.810 431 A HN 0.370 nan 8.150 nan 0.000 0.445 432 F N 0.717 120.453 119.950 -0.358 0.000 2.171 432 F HA -0.186 4.344 4.527 0.005 0.000 0.300 432 F C 2.465 177.902 175.800 -0.604 0.000 1.090 432 F CA 2.010 59.645 58.000 -0.608 0.000 1.293 432 F CB -0.161 38.264 39.000 -0.957 0.000 1.013 432 F HN 0.299 nan 8.300 nan 0.000 0.486 433 Q N -0.431 119.283 119.800 -0.145 0.000 2.291 433 Q HA -0.213 4.130 4.340 0.005 0.000 0.206 433 Q C 2.071 178.251 176.000 0.299 0.000 0.976 433 Q CA 1.665 57.538 55.803 0.117 0.000 0.875 433 Q CB -0.154 28.499 28.738 -0.141 0.000 0.927 433 Q HN 0.527 nan 8.270 nan 0.000 0.450 434 M N -0.744 118.901 119.600 0.075 0.000 2.171 434 M HA -0.059 4.424 4.480 0.005 0.000 0.260 434 M C 1.795 178.169 176.300 0.124 0.000 1.087 434 M CA 1.725 57.113 55.300 0.147 0.000 1.154 434 M CB 0.198 32.854 32.600 0.093 0.000 1.331 434 M HN 0.200 nan 8.290 nan 0.000 0.431 435 T N -4.345 110.117 114.554 -0.153 0.000 3.144 435 T HA 0.267 4.620 4.350 0.005 0.000 0.290 435 T C 1.399 175.747 174.700 -0.587 0.000 0.966 435 T CA 0.211 62.200 62.100 -0.184 0.000 0.907 435 T CB -0.110 68.725 68.868 -0.055 0.000 1.152 435 T HN 0.350 nan 8.240 nan 0.000 0.532 436 G N 0.973 108.982 108.800 -1.317 0.000 2.470 436 G HA2 -0.064 3.899 3.960 0.005 0.000 0.220 436 G HA3 -0.064 3.899 3.960 0.005 0.000 0.220 436 G C 0.980 175.021 174.900 -1.432 0.000 1.121 436 G CA 0.253 44.085 45.100 -2.112 0.000 0.766 436 G HN 0.704 nan 8.290 nan 0.000 0.553 437 W N 1.051 122.028 121.300 -0.539 0.000 2.468 437 W HA 0.099 4.762 4.660 0.005 0.000 0.262 437 W C 2.092 178.525 176.519 -0.144 0.000 1.241 437 W CA 0.291 57.528 57.345 -0.180 0.000 1.232 437 W CB 0.111 29.549 29.460 -0.037 0.000 1.124 437 W HN 0.117 nan 8.180 nan 0.000 0.597 438 E N 0.868 121.026 120.200 -0.070 0.000 2.333 438 E HA -0.146 4.208 4.350 0.005 0.000 0.198 438 E C 1.927 178.461 176.600 -0.110 0.000 1.007 438 E CA 0.830 57.205 56.400 -0.043 0.000 0.845 438 E CB -0.549 29.107 29.700 -0.073 0.000 0.766 438 E HN 0.474 nan 8.360 nan 0.000 0.507 439 L N 0.067 121.138 121.223 -0.253 0.000 2.349 439 L HA -0.105 4.238 4.340 0.005 0.000 0.220 439 L C 2.258 179.014 176.870 -0.189 0.000 1.130 439 L CA 0.890 55.464 54.840 -0.444 0.000 0.791 439 L CB -0.533 40.926 42.059 -1.000 0.000 0.918 439 L HN 0.144 nan 8.230 nan 0.000 0.444 440 G N -0.454 108.358 108.800 0.021 0.000 2.535 440 G HA2 -0.199 3.764 3.960 0.005 0.000 0.218 440 G HA3 -0.199 3.764 3.960 0.005 0.000 0.218 440 G C 1.260 176.240 174.900 0.133 0.000 1.122 440 G CA 0.309 45.506 45.100 0.161 0.000 0.769 440 G HN 0.392 nan 8.290 nan 0.000 0.549 441 N N -0.421 118.325 118.700 0.077 0.000 2.280 441 N HA -0.009 4.734 4.740 0.005 0.000 0.192 441 N C 1.740 177.295 175.510 0.075 0.000 1.109 441 N CA -0.002 53.096 53.050 0.080 0.000 0.855 441 N CB 0.109 38.639 38.487 0.071 0.000 0.974 441 N HN 0.179 nan 8.380 nan 0.000 0.482 442 C N 0.605 119.955 119.300 0.084 0.000 2.413 442 C HA -0.136 4.327 4.460 0.005 0.000 0.276 442 C C 2.987 178.040 174.990 0.105 0.000 1.236 442 C CA 0.830 59.907 59.018 0.098 0.000 1.735 442 C CB -0.928 26.930 27.740 0.196 0.000 2.031 442 C HN 0.484 nan 8.230 nan 0.000 0.474 443 R N 0.518 121.098 120.500 0.134 0.000 2.083 443 R HA -0.110 4.233 4.340 0.005 0.000 0.237 443 R C 2.352 178.695 176.300 0.071 0.000 1.137 443 R CA 2.006 58.164 56.100 0.096 0.000 0.951 443 R CB -0.964 29.394 30.300 0.096 0.000 0.851 443 R HN 0.737 nan 8.270 nan 0.000 0.434 444 R N -0.146 120.399 120.500 0.076 0.000 2.096 444 R HA 0.061 4.404 4.340 0.005 0.000 0.235 444 R C 2.423 178.763 176.300 0.066 0.000 1.127 444 R CA 1.856 57.998 56.100 0.070 0.000 0.968 444 R CB -0.334 30.014 30.300 0.079 0.000 0.861 444 R HN 0.409 nan 8.270 nan 0.000 0.440 445 L N -0.431 120.823 121.223 0.050 0.000 2.478 445 L HA 0.116 4.459 4.340 0.005 0.000 0.223 445 L C 1.107 177.969 176.870 -0.012 0.000 1.140 445 L CA 0.630 55.472 54.840 0.003 0.000 0.842 445 L CB -0.013 42.013 42.059 -0.054 0.000 0.953 445 L HN 0.536 nan 8.230 nan 0.000 0.452 446 G N 1.684 110.495 108.800 0.018 0.000 2.198 446 G HA2 -0.276 3.687 3.960 0.005 0.000 0.257 446 G HA3 -0.276 3.687 3.960 0.005 0.000 0.257 446 G C 0.095 174.996 174.900 0.002 0.000 1.042 446 G CA 0.597 45.706 45.100 0.015 0.000 0.791 446 G HN 0.493 nan 8.290 nan 0.000 0.502 447 I N -3.438 117.136 120.570 0.006 0.000 3.002 447 I HA 0.877 5.050 4.170 0.005 0.000 0.310 447 I C -0.615 175.526 176.117 0.040 0.000 1.087 447 I CA -1.146 60.154 61.300 -0.000 0.000 1.017 447 I CB 2.508 40.486 38.000 -0.036 0.000 1.226 447 I HN -0.003 nan 8.210 nan 0.000 0.443 448 D N 1.303 121.722 120.400 0.032 0.000 2.945 448 D HA 0.316 4.960 4.640 0.005 0.000 0.340 448 D C -2.824 173.502 176.300 0.043 0.000 1.240 448 D CA -1.467 52.572 54.000 0.065 0.000 0.749 448 D CB 0.335 41.154 40.800 0.031 0.000 1.217 448 D HN 0.317 nan 8.370 nan 0.000 0.514 449 P HA 0.126 nan 4.420 nan 0.000 0.269 449 P C 0.182 177.485 177.300 0.005 0.000 1.217 449 P CA -0.251 62.843 63.100 -0.010 0.000 0.783 449 P CB 1.484 33.160 31.700 -0.041 0.000 0.898 450 I N 1.391 121.918 120.570 -0.073 0.000 2.336 450 I HA 0.246 4.419 4.170 0.005 0.000 0.292 450 I C -0.028 176.069 176.117 -0.034 0.000 0.991 450 I CA -0.825 60.416 61.300 -0.098 0.000 1.227 450 I CB 1.559 39.379 38.000 -0.301 0.000 1.366 450 I HN 0.005 nan 8.210 nan 0.000 0.466 451 V N 7.663 127.589 119.914 0.020 0.000 2.483 451 V HA 0.427 4.550 4.120 0.005 0.000 0.297 451 V C -0.088 176.034 176.094 0.047 0.000 1.027 451 V CA -0.480 61.839 62.300 0.033 0.000 0.855 451 V CB 1.894 33.742 31.823 0.042 0.000 0.995 451 V HN 0.475 nan 8.190 nan 0.000 0.424 452 I N 5.699 126.320 120.570 0.085 0.000 2.307 452 I HA 0.400 4.573 4.170 0.005 0.000 0.289 452 I C -0.340 175.895 176.117 0.197 0.000 1.021 452 I CA -0.289 61.084 61.300 0.122 0.000 1.224 452 I CB 1.430 39.539 38.000 0.182 0.000 1.376 452 I HN 0.430 nan 8.210 nan 0.000 0.470 453 L N 7.254 128.522 121.223 0.075 0.000 2.265 453 L HA 0.462 4.805 4.340 0.005 0.000 0.289 453 L C -0.779 176.189 176.870 0.163 0.000 1.033 453 L CA -0.443 54.414 54.840 0.029 0.000 0.814 453 L CB 0.553 42.408 42.059 -0.341 0.000 1.203 453 L HN 0.451 nan 8.230 nan 0.000 0.423 454 F N 4.348 124.254 119.950 -0.074 0.000 2.464 454 F HA 0.137 4.667 4.527 0.005 0.000 0.353 454 F C 0.748 176.537 175.800 -0.018 0.000 1.191 454 F CA -0.454 57.532 58.000 -0.024 0.000 1.147 454 F CB 0.245 39.246 39.000 0.002 0.000 1.294 454 F HN 0.535 nan 8.300 nan 0.000 0.583 455 N N 3.759 122.542 118.700 0.137 0.000 2.678 455 N HA 0.047 4.790 4.740 0.005 0.000 0.231 455 N C 0.018 175.597 175.510 0.116 0.000 1.038 455 N CA -0.375 52.761 53.050 0.142 0.000 0.932 455 N CB 0.099 38.697 38.487 0.184 0.000 1.176 455 N HN 0.448 nan 8.380 nan 0.000 0.511 456 N N 2.112 120.881 118.700 0.115 0.000 2.235 456 N HA 0.139 4.882 4.740 0.005 0.000 0.209 456 N C 0.231 175.781 175.510 0.067 0.000 1.122 456 N CA -0.003 53.098 53.050 0.085 0.000 0.845 456 N CB 0.122 38.663 38.487 0.089 0.000 1.004 456 N HN 0.313 nan 8.380 nan 0.000 0.499 457 A N -0.858 122.008 122.820 0.077 0.000 2.560 457 A HA -0.047 4.276 4.320 0.005 0.000 0.299 457 A C 0.295 177.877 177.584 -0.004 0.000 1.484 457 A CA 0.998 53.065 52.037 0.050 0.000 0.749 457 A CB -2.028 17.006 19.000 0.057 0.000 1.072 457 A HN 0.834 nan 8.150 nan 0.000 0.426 458 S N -1.139 114.549 115.700 -0.019 0.000 2.565 458 S HA 0.544 5.017 4.470 0.005 0.000 0.274 458 S C -1.350 173.286 174.600 0.061 0.000 1.144 458 S CA -0.405 57.783 58.200 -0.019 0.000 0.849 458 S CB 0.570 63.796 63.200 0.043 0.000 1.103 458 S HN 1.000 nan 8.310 nan 0.000 0.455 459 W N 3.464 124.810 121.300 0.076 0.000 1.912 459 W HA 0.336 4.998 4.660 0.003 0.000 0.399 459 W C 1.126 177.681 176.519 0.061 0.000 0.800 459 W CA -0.551 56.837 57.345 0.072 0.000 1.593 459 W CB 0.267 29.792 29.460 0.108 0.000 1.769 459 W HN 0.934 nan 8.180 nan 0.000 0.281 460 E N 1.534 121.868 120.200 0.224 0.000 2.110 460 E HA -0.204 4.149 4.350 0.005 0.000 0.193 460 E C 2.084 178.741 176.600 0.095 0.000 0.988 460 E CA 1.617 58.094 56.400 0.128 0.000 0.804 460 E CB -0.009 29.741 29.700 0.084 0.000 0.745 460 E HN 0.320 nan 8.360 nan 0.000 0.458 461 M N -0.435 119.218 119.600 0.088 0.000 2.213 461 M HA -0.133 4.350 4.480 0.005 0.000 0.263 461 M C 1.873 178.302 176.300 0.216 0.000 1.062 461 M CA 1.045 56.377 55.300 0.055 0.000 1.105 461 M CB -0.123 32.492 32.600 0.025 0.000 1.385 461 M HN 0.203 nan 8.290 nan 0.000 0.417 462 L N -1.068 120.305 121.223 0.250 0.000 2.109 462 L HA -0.154 4.189 4.340 0.005 0.000 0.207 462 L C 2.584 179.604 176.870 0.249 0.000 1.086 462 L CA 0.903 55.925 54.840 0.303 0.000 0.760 462 L CB -0.721 41.496 42.059 0.263 0.000 0.910 462 L HN 0.325 nan 8.230 nan 0.000 0.437 463 R N 0.580 121.182 120.500 0.170 0.000 2.081 463 R HA -0.185 4.158 4.340 0.005 0.000 0.235 463 R C 2.422 178.757 176.300 0.059 0.000 1.131 463 R CA 2.099 58.251 56.100 0.086 0.000 0.960 463 R CB -0.304 30.030 30.300 0.057 0.000 0.856 463 R HN 0.463 nan 8.270 nan 0.000 0.436 464 T N -2.061 112.509 114.554 0.027 0.000 2.833 464 T HA -0.115 4.238 4.350 0.005 0.000 0.269 464 T C 1.692 176.345 174.700 -0.078 0.000 1.054 464 T CA 1.146 63.203 62.100 -0.073 0.000 1.135 464 T CB -0.364 68.391 68.868 -0.187 0.000 0.869 464 T HN 0.273 nan 8.240 nan 0.000 0.466 465 F N 1.157 121.113 119.950 0.011 0.000 2.335 465 F HA 0.306 4.833 4.527 0.001 0.000 0.296 465 F C 2.096 177.899 175.800 0.005 0.000 1.091 465 F CA 0.326 58.331 58.000 0.008 0.000 1.399 465 F CB 0.307 39.322 39.000 0.024 0.000 1.067 465 F HN 0.214 nan 8.300 nan 0.000 0.520 466 Q N 0.533 120.453 119.800 0.200 0.000 3.557 466 Q HA 0.151 4.494 4.340 0.005 0.000 0.264 466 Q C -2.134 173.879 176.000 0.022 0.000 0.850 466 Q CA -1.443 54.420 55.803 0.101 0.000 0.833 466 Q CB 0.990 29.796 28.738 0.114 0.000 1.505 466 Q HN -0.059 nan 8.270 nan 0.000 0.402 467 P HA -0.244 nan 4.420 nan 0.000 0.218 467 P C 0.825 178.095 177.300 -0.049 0.000 1.146 467 P CA 1.273 64.361 63.100 -0.019 0.000 0.813 467 P CB 0.276 31.969 31.700 -0.011 0.000 0.778 468 E N 0.228 120.402 120.200 -0.044 0.000 2.268 468 E HA -0.050 4.303 4.350 0.005 0.000 0.195 468 E C 0.367 176.903 176.600 -0.107 0.000 0.995 468 E CA 0.482 56.850 56.400 -0.053 0.000 0.836 468 E CB -0.795 28.891 29.700 -0.024 0.000 0.763 468 E HN 0.132 nan 8.360 nan 0.000 0.491 469 S N 0.869 116.447 115.700 -0.204 0.000 2.548 469 S HA 0.384 4.857 4.470 0.005 0.000 0.277 469 S C 0.839 175.178 174.600 -0.436 0.000 1.315 469 S CA 0.036 57.980 58.200 -0.427 0.000 1.050 469 S CB 1.593 64.213 63.200 -0.967 0.000 0.918 469 S HN 0.433 nan 8.310 nan 0.000 0.497 470 A N 2.780 125.415 122.820 -0.308 0.000 2.021 470 A HA 0.083 4.406 4.320 0.005 0.000 0.216 470 A C 1.509 179.030 177.584 -0.104 0.000 1.163 470 A CA 0.635 52.583 52.037 -0.148 0.000 0.676 470 A CB -0.664 18.320 19.000 -0.026 0.000 0.818 470 A HN 0.870 nan 8.150 nan 0.000 0.453 471 F N 0.444 120.458 119.950 0.107 0.000 2.494 471 F HA -0.041 4.487 4.527 0.002 0.000 0.298 471 F C 1.159 177.074 175.800 0.191 0.000 1.106 471 F CA 0.956 59.045 58.000 0.149 0.000 1.452 471 F CB -1.497 37.626 39.000 0.205 0.000 1.085 471 F HN 0.207 nan 8.300 nan 0.000 0.569 472 N N -0.327 118.432 118.700 0.098 0.000 2.467 472 N HA -0.068 4.676 4.740 0.005 0.000 0.184 472 N C -0.522 175.006 175.510 0.030 0.000 1.106 472 N CA 0.190 53.392 53.050 0.253 0.000 0.892 472 N CB -0.156 38.435 38.487 0.173 0.000 0.969 472 N HN 0.163 nan 8.380 nan 0.000 0.454 473 D N 1.402 121.789 120.400 -0.022 0.000 2.336 473 D HA 0.150 4.793 4.640 0.005 0.000 0.249 473 D C -0.002 176.238 176.300 -0.099 0.000 1.213 473 D CA 0.215 54.187 54.000 -0.046 0.000 0.870 473 D CB 0.793 41.580 40.800 -0.022 0.000 1.076 473 D HN 0.118 nan 8.370 nan 0.000 0.483 474 L N 1.306 122.444 121.223 -0.142 0.000 2.400 474 L HA 0.349 4.692 4.340 0.005 0.000 0.264 474 L C 0.981 177.863 176.870 0.020 0.000 1.061 474 L CA -0.952 53.804 54.840 -0.140 0.000 0.799 474 L CB 0.859 42.763 42.059 -0.259 0.000 1.240 474 L HN 0.191 nan 8.230 nan 0.000 0.461 475 D N -0.162 120.321 120.400 0.137 0.000 2.433 475 D HA 0.043 4.686 4.640 0.005 0.000 0.255 475 D C -0.969 175.474 176.300 0.239 0.000 1.226 475 D CA -0.263 53.824 54.000 0.146 0.000 1.015 475 D CB 1.152 42.008 40.800 0.093 0.000 1.091 475 D HN 0.461 nan 8.370 nan 0.000 0.527 476 D N 0.096 120.563 120.400 0.112 0.000 2.316 476 D HA 0.181 4.824 4.640 0.005 0.000 0.245 476 D C -1.193 175.141 176.300 0.057 0.000 1.171 476 D CA -0.230 53.827 54.000 0.095 0.000 0.856 476 D CB 0.184 40.991 40.800 0.012 0.000 1.090 476 D HN 0.123 nan 8.370 nan 0.000 0.476 477 W N 3.568 124.688 121.300 -0.300 0.000 2.532 477 W HA 0.417 5.080 4.660 0.005 0.000 0.321 477 W C 0.042 176.181 176.519 -0.634 0.000 1.037 477 W CA -1.018 55.998 57.345 -0.547 0.000 1.220 477 W CB 1.259 30.114 29.460 -1.009 0.000 1.361 477 W HN 0.212 nan 8.180 nan 0.000 0.468 478 R N 3.266 123.658 120.500 -0.180 0.000 3.266 478 R HA 0.235 4.579 4.340 0.005 0.000 0.224 478 R C 0.747 177.049 176.300 0.005 0.000 1.525 478 R CA -0.254 55.801 56.100 -0.075 0.000 1.364 478 R CB -0.920 29.369 30.300 -0.019 0.000 1.276 478 R HN 0.392 nan 8.270 nan 0.000 0.660 479 F N 0.318 120.349 119.950 0.135 0.000 2.134 479 F HA -0.193 4.337 4.527 0.005 0.000 0.299 479 F C 2.325 178.151 175.800 0.043 0.000 1.097 479 F CA 1.514 59.546 58.000 0.054 0.000 1.264 479 F CB -0.534 38.286 39.000 -0.300 0.000 1.001 479 F HN 0.461 nan 8.300 nan 0.000 0.479 480 A N 0.030 122.968 122.820 0.196 0.000 1.940 480 A HA -0.214 4.109 4.320 0.005 0.000 0.219 480 A C 1.898 179.564 177.584 0.138 0.000 1.176 480 A CA 2.123 54.240 52.037 0.134 0.000 0.631 480 A CB -0.885 18.165 19.000 0.083 0.000 0.814 480 A HN 0.295 nan 8.150 nan 0.000 0.446 481 D N -0.632 119.843 120.400 0.125 0.000 2.264 481 D HA -0.071 4.572 4.640 0.005 0.000 0.208 481 D C 1.702 178.092 176.300 0.150 0.000 0.966 481 D CA 1.069 55.133 54.000 0.106 0.000 0.864 481 D CB -0.232 40.610 40.800 0.070 0.000 0.933 481 D HN 0.547 nan 8.370 nan 0.000 0.499 482 M N -0.384 119.357 119.600 0.235 0.000 2.502 482 M HA 0.191 4.674 4.480 0.005 0.000 0.243 482 M C 1.974 178.485 176.300 0.351 0.000 1.130 482 M CA -0.019 55.467 55.300 0.309 0.000 1.055 482 M CB 0.460 33.349 32.600 0.480 0.000 1.457 482 M HN -0.091 nan 8.290 nan 0.000 0.488 483 A N 1.049 124.060 122.820 0.318 0.000 1.902 483 A HA -0.066 4.257 4.320 0.005 0.000 0.217 483 A C 2.409 180.128 177.584 0.223 0.000 1.181 483 A CA 1.979 54.234 52.037 0.364 0.000 0.623 483 A CB -0.759 18.396 19.000 0.258 0.000 0.818 483 A HN 0.473 nan 8.150 nan 0.000 0.443 484 A N -0.470 122.420 122.820 0.118 0.000 1.940 484 A HA 0.084 4.407 4.320 0.005 0.000 0.219 484 A C 2.373 180.018 177.584 0.102 0.000 1.176 484 A CA 1.904 53.975 52.037 0.058 0.000 0.631 484 A CB -1.363 17.661 19.000 0.039 0.000 0.814 484 A HN 0.798 nan 8.150 nan 0.000 0.446 485 G N -0.996 107.893 108.800 0.148 0.000 2.470 485 G HA2 -0.119 3.844 3.960 0.005 0.000 0.220 485 G HA3 -0.119 3.844 3.960 0.005 0.000 0.220 485 G C 1.350 176.362 174.900 0.187 0.000 1.121 485 G CA 0.997 46.186 45.100 0.147 0.000 0.766 485 G HN 0.519 nan 8.290 nan 0.000 0.553 486 M N 0.219 119.986 119.600 0.277 0.000 2.431 486 M HA 0.279 4.762 4.480 0.005 0.000 0.237 486 M C 1.525 178.049 176.300 0.373 0.000 1.130 486 M CA 0.485 55.997 55.300 0.352 0.000 1.002 486 M CB 0.759 33.654 32.600 0.491 0.000 1.524 486 M HN 0.270 nan 8.290 nan 0.000 0.482 487 G N 0.885 109.800 108.800 0.193 0.000 2.137 487 G HA2 -0.163 3.800 3.960 0.005 0.000 0.237 487 G HA3 -0.163 3.800 3.960 0.005 0.000 0.237 487 G C 0.062 174.857 174.900 -0.175 0.000 1.002 487 G CA -0.092 45.052 45.100 0.073 0.000 0.702 487 G HN 0.630 nan 8.290 nan 0.000 0.515 488 G N -1.271 107.197 108.800 -0.553 0.000 2.816 488 G HA2 0.623 4.586 3.960 0.005 0.000 0.288 488 G HA3 0.623 4.586 3.960 0.005 0.000 0.288 488 G C -1.570 172.894 174.900 -0.726 0.000 1.334 488 G CA -0.464 43.761 45.100 -1.459 0.000 0.978 488 G HN 0.087 nan 8.290 nan 0.000 0.493 489 D N -0.112 119.924 120.400 -0.606 0.000 2.303 489 D HA 0.540 5.183 4.640 0.005 0.000 0.236 489 D C 0.171 176.396 176.300 -0.125 0.000 1.068 489 D CA 0.064 53.916 54.000 -0.246 0.000 0.830 489 D CB 1.642 42.343 40.800 -0.165 0.000 1.109 489 D HN 0.573 nan 8.370 nan 0.000 0.496 490 G N 0.014 108.795 108.800 -0.033 0.000 2.482 490 G HA2 0.587 4.551 3.960 0.005 0.000 0.317 490 G HA3 0.587 4.551 3.960 0.005 0.000 0.317 490 G C -1.208 173.710 174.900 0.029 0.000 1.241 490 G CA -0.728 44.396 45.100 0.039 0.000 0.967 490 G HN 0.343 nan 8.290 nan 0.000 0.482 491 V N 1.599 121.532 119.914 0.032 0.000 2.777 491 V HA 0.717 4.840 4.120 0.005 0.000 0.306 491 V C -0.644 175.465 176.094 0.026 0.000 1.112 491 V CA -1.117 61.197 62.300 0.024 0.000 0.917 491 V CB 1.895 33.726 31.823 0.014 0.000 1.018 491 V HN 0.896 nan 8.190 nan 0.000 0.426 492 R N 5.095 125.611 120.500 0.028 0.000 2.265 492 R HA 0.762 5.106 4.340 0.005 0.000 0.319 492 R C -1.050 175.258 176.300 0.014 0.000 1.006 492 R CA -0.264 55.852 56.100 0.027 0.000 0.880 492 R CB 1.545 31.865 30.300 0.035 0.000 1.077 492 R HN 0.818 nan 8.270 nan 0.000 0.454 493 V N 2.161 122.078 119.914 0.005 0.000 2.680 493 V HA 0.555 4.678 4.120 0.005 0.000 0.309 493 V C 0.295 176.384 176.094 -0.009 0.000 1.052 493 V CA -0.836 61.462 62.300 -0.004 0.000 0.908 493 V CB 2.031 33.848 31.823 -0.011 0.000 1.001 493 V HN 0.919 nan 8.190 nan 0.000 0.431 494 R N 1.328 121.824 120.500 -0.007 0.000 2.342 494 R HA 0.235 4.578 4.340 0.005 0.000 0.204 494 R C 0.717 177.009 176.300 -0.013 0.000 0.882 494 R CA 0.775 56.870 56.100 -0.008 0.000 1.041 494 R CB 0.898 31.197 30.300 -0.002 0.000 1.188 494 R HN 0.912 nan 8.270 nan 0.000 0.598 495 T N -2.243 112.304 114.554 -0.011 0.000 2.950 495 T HA 0.334 4.688 4.350 0.005 0.000 0.288 495 T C 0.899 175.590 174.700 -0.015 0.000 1.035 495 T CA -0.873 61.220 62.100 -0.012 0.000 1.028 495 T CB 2.466 71.330 68.868 -0.007 0.000 1.109 495 T HN -0.079 nan 8.240 nan 0.000 0.514 496 R N 0.521 121.012 120.500 -0.014 0.000 2.096 496 R HA -0.043 4.301 4.340 0.005 0.000 0.235 496 R C 2.630 178.924 176.300 -0.009 0.000 1.127 496 R CA 1.324 57.415 56.100 -0.015 0.000 0.968 496 R CB -0.840 29.453 30.300 -0.012 0.000 0.861 496 R HN 0.819 nan 8.270 nan 0.000 0.440 497 A N 1.471 124.288 122.820 -0.006 0.000 1.902 497 A HA -0.190 4.134 4.320 0.005 0.000 0.217 497 A C 1.902 179.486 177.584 -0.001 0.000 1.181 497 A CA 1.329 53.365 52.037 -0.002 0.000 0.623 497 A CB -0.295 18.704 19.000 -0.001 0.000 0.818 497 A HN 0.314 nan 8.150 nan 0.000 0.443 498 E N -0.678 119.520 120.200 -0.002 0.000 2.110 498 E HA -0.183 4.170 4.350 0.005 0.000 0.193 498 E C 1.936 178.536 176.600 -0.000 0.000 0.988 498 E CA 1.158 57.557 56.400 -0.000 0.000 0.804 498 E CB -0.275 29.424 29.700 -0.002 0.000 0.745 498 E HN 0.524 nan 8.360 nan 0.000 0.458 499 L N 1.744 122.962 121.223 -0.007 0.000 2.017 499 L HA -0.199 4.144 4.340 0.005 0.000 0.208 499 L C 2.155 179.029 176.870 0.007 0.000 1.073 499 L CA 1.885 56.719 54.840 -0.010 0.000 0.745 499 L CB -0.338 41.703 42.059 -0.028 0.000 0.894 499 L HN -0.107 nan 8.230 nan 0.000 0.432 500 K N -0.101 120.303 120.400 0.007 0.000 2.032 500 K HA -0.163 4.161 4.320 0.005 0.000 0.209 500 K C 1.984 178.598 176.600 0.024 0.000 1.048 500 K CA 1.647 57.942 56.287 0.014 0.000 0.927 500 K CB -0.467 32.037 32.500 0.006 0.000 0.712 500 K HN 0.506 nan 8.250 nan 0.000 0.441 501 A N 0.839 123.670 122.820 0.019 0.000 1.902 501 A HA -0.073 4.250 4.320 0.005 0.000 0.217 501 A C 2.374 179.978 177.584 0.033 0.000 1.181 501 A CA 2.126 54.177 52.037 0.023 0.000 0.623 501 A CB -0.691 18.318 19.000 0.015 0.000 0.818 501 A HN 0.421 nan 8.150 nan 0.000 0.443 502 A N -0.689 122.149 122.820 0.030 0.000 1.933 502 A HA -0.029 4.294 4.320 0.005 0.000 0.218 502 A C 2.125 179.746 177.584 0.060 0.000 1.175 502 A CA 1.720 53.778 52.037 0.034 0.000 0.628 502 A CB -0.568 18.444 19.000 0.020 0.000 0.814 502 A HN 0.603 nan 8.150 nan 0.000 0.444 503 L N -0.066 121.206 121.223 0.082 0.000 2.056 503 L HA -0.132 4.211 4.340 0.005 0.000 0.207 503 L C 1.642 178.654 176.870 0.237 0.000 1.078 503 L CA 2.285 57.222 54.840 0.161 0.000 0.749 503 L CB -0.567 41.590 42.059 0.162 0.000 0.901 503 L HN 0.310 nan 8.230 nan 0.000 0.433 504 D N -0.435 120.052 120.400 0.144 0.000 2.117 504 D HA -0.200 4.443 4.640 0.005 0.000 0.197 504 D C 2.105 178.486 176.300 0.136 0.000 0.987 504 D CA 0.955 55.033 54.000 0.131 0.000 0.829 504 D CB -0.117 40.719 40.800 0.061 0.000 0.961 504 D HN 0.236 nan 8.370 nan 0.000 0.460 505 K N 1.202 121.656 120.400 0.090 0.000 2.026 505 K HA -0.077 4.246 4.320 0.005 0.000 0.208 505 K C 1.939 178.575 176.600 0.059 0.000 1.048 505 K CA 1.212 57.535 56.287 0.061 0.000 0.929 505 K CB -0.249 32.271 32.500 0.034 0.000 0.713 505 K HN 0.021 nan 8.250 nan 0.000 0.439 506 A N 0.599 123.450 122.820 0.052 0.000 1.883 506 A HA -0.160 4.163 4.320 0.005 0.000 0.217 506 A C 2.147 179.700 177.584 -0.051 0.000 1.186 506 A CA 1.553 53.577 52.037 -0.021 0.000 0.624 506 A CB -0.934 18.029 19.000 -0.062 0.000 0.822 506 A HN 0.341 nan 8.150 nan 0.000 0.444 507 F N -0.023 119.936 119.950 0.015 0.000 2.216 507 F HA -0.054 4.476 4.527 0.005 0.000 0.300 507 F C 2.602 178.408 175.800 0.010 0.000 1.085 507 F CA 1.103 59.111 58.000 0.014 0.000 1.326 507 F CB -0.151 38.856 39.000 0.011 0.000 1.027 507 F HN 0.254 nan 8.300 nan 0.000 0.497 508 A N -1.435 121.490 122.820 0.175 0.000 2.208 508 A HA 0.079 4.402 4.320 0.005 0.000 0.209 508 A C 0.745 178.362 177.584 0.055 0.000 1.161 508 A CA 0.775 52.874 52.037 0.102 0.000 0.782 508 A CB -0.660 18.386 19.000 0.076 0.000 0.816 508 A HN 0.134 nan 8.150 nan 0.000 0.477 509 T N 1.442 116.016 114.554 0.033 0.000 2.963 509 T HA 0.408 4.761 4.350 0.005 0.000 0.343 509 T C 0.005 174.696 174.700 -0.014 0.000 1.146 509 T CA -0.486 61.616 62.100 0.003 0.000 1.016 509 T CB 0.659 69.519 68.868 -0.012 0.000 1.046 509 T HN 0.346 nan 8.240 nan 0.000 0.496 510 R N 0.726 121.224 120.500 -0.003 0.000 2.608 510 R HA 0.716 5.059 4.340 0.005 0.000 0.255 510 R C 1.268 177.563 176.300 -0.009 0.000 1.086 510 R CA -0.177 55.918 56.100 -0.007 0.000 1.125 510 R CB 0.965 31.269 30.300 0.007 0.000 1.193 510 R HN 0.770 nan 8.270 nan 0.000 0.553 511 G N 0.349 109.147 108.800 -0.004 0.000 2.254 511 G HA2 -0.237 3.726 3.960 0.005 0.000 0.225 511 G HA3 -0.237 3.726 3.960 0.005 0.000 0.225 511 G C 0.061 174.957 174.900 -0.007 0.000 1.003 511 G CA -0.243 44.855 45.100 -0.003 0.000 0.622 511 G HN 0.478 nan 8.290 nan 0.000 0.507 512 R N -0.312 120.172 120.500 -0.027 0.000 2.698 512 R HA 0.567 4.910 4.340 0.005 0.000 0.275 512 R C 0.059 176.329 176.300 -0.049 0.000 1.001 512 R CA -0.735 55.325 56.100 -0.067 0.000 0.896 512 R CB 1.269 31.475 30.300 -0.158 0.000 1.218 512 R HN 0.422 nan 8.270 nan 0.000 0.462 513 F N 0.421 120.369 119.950 -0.004 0.000 2.496 513 F HA 0.229 4.759 4.527 0.006 0.000 0.344 513 F C -0.318 175.473 175.800 -0.014 0.000 1.155 513 F CA -0.343 57.648 58.000 -0.015 0.000 1.302 513 F CB 0.586 39.587 39.000 0.001 0.000 1.159 513 F HN 0.097 nan 8.300 nan 0.000 0.595 514 Q N 4.145 124.056 119.800 0.186 0.000 2.341 514 Q HA 0.410 4.753 4.340 0.005 0.000 0.268 514 Q C -1.464 174.643 176.000 0.179 0.000 1.013 514 Q CA -0.817 55.027 55.803 0.068 0.000 0.798 514 Q CB 2.217 30.941 28.738 -0.023 0.000 1.253 514 Q HN 0.837 nan 8.270 nan 0.000 0.457 515 L N 4.320 125.660 121.223 0.195 0.000 2.280 515 L HA 0.497 4.840 4.340 0.005 0.000 0.287 515 L C -1.007 175.901 176.870 0.062 0.000 1.023 515 L CA -0.163 54.780 54.840 0.171 0.000 0.819 515 L CB 0.747 42.973 42.059 0.278 0.000 1.212 515 L HN 0.546 nan 8.230 nan 0.000 0.420 516 I N 4.925 125.511 120.570 0.028 0.000 2.330 516 I HA 0.282 4.455 4.170 0.005 0.000 0.286 516 I C 0.024 176.132 176.117 -0.015 0.000 1.025 516 I CA -0.344 60.961 61.300 0.009 0.000 1.197 516 I CB 1.274 39.279 38.000 0.008 0.000 1.358 516 I HN 0.617 nan 8.210 nan 0.000 0.467 517 E N 6.574 126.768 120.200 -0.010 0.000 2.001 517 E HA 0.454 4.808 4.350 0.005 0.000 0.279 517 E C -0.533 176.063 176.600 -0.007 0.000 1.045 517 E CA -0.597 55.797 56.400 -0.009 0.000 0.833 517 E CB 0.902 30.629 29.700 0.046 0.000 1.077 517 E HN 0.707 nan 8.360 nan 0.000 0.397 518 A N 6.527 129.322 122.820 -0.042 0.000 2.279 518 A HA 0.329 4.652 4.320 0.005 0.000 0.306 518 A C -0.049 177.507 177.584 -0.047 0.000 1.300 518 A CA -0.645 51.343 52.037 -0.081 0.000 0.925 518 A CB 0.256 19.132 19.000 -0.207 0.000 1.152 518 A HN 0.625 nan 8.150 nan 0.000 0.544 519 M N 3.064 122.653 119.600 -0.019 0.000 2.188 519 M HA 0.383 4.866 4.480 0.005 0.000 0.354 519 M C -0.394 175.899 176.300 -0.013 0.000 1.342 519 M CA 0.197 55.501 55.300 0.007 0.000 1.117 519 M CB -0.221 32.388 32.600 0.015 0.000 1.670 519 M HN 0.481 nan 8.290 nan 0.000 0.466 520 I N 4.914 125.488 120.570 0.006 0.000 2.533 520 I HA 0.389 4.562 4.170 0.005 0.000 0.290 520 I C -2.247 173.884 176.117 0.024 0.000 1.056 520 I CA -1.988 59.314 61.300 0.003 0.000 1.057 520 I CB 2.630 40.636 38.000 0.012 0.000 1.240 520 I HN 0.385 nan 8.210 nan 0.000 0.423 521 P HA 0.242 nan 4.420 nan 0.000 0.272 521 P C -0.738 176.578 177.300 0.026 0.000 1.223 521 P CA -0.457 62.654 63.100 0.019 0.000 0.784 521 P CB 0.502 32.209 31.700 0.011 0.000 0.923 522 R N 0.928 121.443 120.500 0.024 0.000 2.694 522 R HA 0.361 4.705 4.340 0.005 0.000 0.268 522 R C 1.340 177.650 176.300 0.017 0.000 1.061 522 R CA 0.815 56.930 56.100 0.025 0.000 1.133 522 R CB -0.465 29.847 30.300 0.019 0.000 1.020 522 R HN 0.862 nan 8.270 nan 0.000 0.475 523 G N 0.259 109.068 108.800 0.016 0.000 2.179 523 G HA2 -0.256 3.707 3.960 0.005 0.000 0.260 523 G HA3 -0.256 3.707 3.960 0.005 0.000 0.260 523 G C -0.100 174.805 174.900 0.008 0.000 0.977 523 G CA 0.060 45.164 45.100 0.007 0.000 0.641 523 G HN 0.408 nan 8.290 nan 0.000 0.533 524 V N 2.141 122.066 119.914 0.018 0.000 2.347 524 V HA 0.702 4.825 4.120 0.005 0.000 0.280 524 V C 0.532 176.647 176.094 0.036 0.000 1.021 524 V CA -0.534 61.779 62.300 0.022 0.000 0.847 524 V CB 1.323 33.160 31.823 0.022 0.000 0.990 524 V HN 0.353 nan 8.190 nan 0.000 0.444 525 L N 3.425 124.665 121.223 0.029 0.000 2.303 525 L HA 0.682 5.026 4.340 0.005 0.000 0.266 525 L C 0.639 177.546 176.870 0.062 0.000 1.011 525 L CA -0.694 54.167 54.840 0.035 0.000 0.818 525 L CB 2.239 44.292 42.059 -0.009 0.000 1.326 525 L HN 0.679 nan 8.230 nan 0.000 0.435 526 S N -1.432 114.325 115.700 0.095 0.000 2.600 526 S HA 0.072 4.545 4.470 0.005 0.000 0.265 526 S C 0.364 175.026 174.600 0.103 0.000 1.325 526 S CA -0.531 57.747 58.200 0.130 0.000 1.002 526 S CB 0.960 64.280 63.200 0.200 0.000 0.921 526 S HN 0.611 nan 8.310 nan 0.000 0.554 527 D N 1.419 121.881 120.400 0.103 0.000 2.144 527 D HA -0.045 4.598 4.640 0.005 0.000 0.199 527 D C 1.930 178.299 176.300 0.114 0.000 0.984 527 D CA 1.664 55.714 54.000 0.083 0.000 0.834 527 D CB -0.871 39.966 40.800 0.062 0.000 0.955 527 D HN 0.709 nan 8.370 nan 0.000 0.465 528 T N 1.035 115.693 114.554 0.172 0.000 2.777 528 T HA -0.111 4.242 4.350 0.005 0.000 0.266 528 T C 1.867 176.775 174.700 0.347 0.000 1.040 528 T CA 0.436 62.686 62.100 0.249 0.000 1.141 528 T CB -0.250 68.779 68.868 0.268 0.000 0.868 528 T HN 0.037 nan 8.240 nan 0.000 0.444 529 L N 1.558 122.925 121.223 0.239 0.000 2.056 529 L HA 0.164 4.508 4.340 0.005 0.000 0.207 529 L C 2.591 179.462 176.870 0.003 0.000 1.078 529 L CA 1.697 56.467 54.840 -0.115 0.000 0.749 529 L CB -1.128 40.691 42.059 -0.400 0.000 0.901 529 L HN 0.212 nan 8.230 nan 0.000 0.433 530 A N -0.324 122.513 122.820 0.028 0.000 1.908 530 A HA -0.233 4.090 4.320 0.005 0.000 0.218 530 A C 2.437 180.042 177.584 0.036 0.000 1.181 530 A CA 1.867 53.912 52.037 0.013 0.000 0.627 530 A CB -0.560 18.451 19.000 0.017 0.000 0.818 530 A HN 0.503 nan 8.150 nan 0.000 0.445 531 R N -2.170 118.381 120.500 0.086 0.000 2.092 531 R HA -0.101 4.243 4.340 0.005 0.000 0.231 531 R C 2.002 178.371 176.300 0.115 0.000 1.119 531 R CA 1.459 57.610 56.100 0.085 0.000 0.970 531 R CB -0.488 29.872 30.300 0.099 0.000 0.864 531 R HN 0.606 nan 8.270 nan 0.000 0.440 532 F N 1.245 121.211 119.950 0.027 0.000 2.102 532 F HA -0.210 4.322 4.527 0.008 0.000 0.298 532 F C 2.048 177.796 175.800 -0.087 0.000 1.105 532 F CA 1.295 59.315 58.000 0.032 0.000 1.239 532 F CB -0.233 38.830 39.000 0.104 0.000 0.991 532 F HN -0.289 nan 8.300 nan 0.000 0.474 533 V N 0.180 120.038 119.914 -0.093 0.000 2.307 533 V HA -0.296 3.827 4.120 0.005 0.000 0.245 533 V C 2.318 178.289 176.094 -0.205 0.000 1.045 533 V CA 2.020 64.167 62.300 -0.254 0.000 1.024 533 V CB -0.900 30.811 31.823 -0.186 0.000 0.651 533 V HN 0.367 nan 8.190 nan 0.000 0.449 534 Q N 1.257 120.989 119.800 -0.114 0.000 2.170 534 Q HA -0.104 4.239 4.340 0.005 0.000 0.203 534 Q C 2.084 178.025 176.000 -0.098 0.000 0.976 534 Q CA 2.085 57.837 55.803 -0.084 0.000 0.858 534 Q CB -0.867 27.845 28.738 -0.043 0.000 0.907 534 Q HN 0.560 nan 8.270 nan 0.000 0.433 535 G N -0.458 108.269 108.800 -0.122 0.000 2.509 535 G HA2 -0.187 3.776 3.960 0.005 0.000 0.218 535 G HA3 -0.187 3.776 3.960 0.005 0.000 0.218 535 G C 1.120 175.919 174.900 -0.169 0.000 1.124 535 G CA 0.418 45.444 45.100 -0.124 0.000 0.776 535 G HN 0.302 nan 8.290 nan 0.000 0.547 536 Q N 0.229 119.883 119.800 -0.244 0.000 2.424 536 Q HA 0.174 4.517 4.340 0.005 0.000 0.204 536 Q C 1.608 177.541 176.000 -0.111 0.000 0.933 536 Q CA 0.803 56.481 55.803 -0.209 0.000 0.929 536 Q CB -0.441 28.125 28.738 -0.288 0.000 1.037 536 Q HN 0.579 nan 8.270 nan 0.000 0.511 537 K N 0.000 120.340 120.400 -0.100 0.000 2.780 537 K HA 0.000 4.323 4.320 0.005 0.000 0.191 537 K CA 0.000 56.250 56.287 -0.061 0.000 0.838 537 K CB 0.000 32.466 32.500 -0.057 0.000 1.064 537 K HN 0.000 nan 8.250 nan 0.000 0.543