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 1req_1_C DATA FIRST_RESID 2 DATA SEQUENCE STLPRFDSVD LGNAPVPADA ARRFEELAAK AGTGEAWETA EQIPVGTLFN DATA SEQUENCE EDVYKDMDWL DTYAGIPPFV HGPYATMYAF RPWTIRQYAG FSTAKESNAF DATA SEQUENCE YRRNLAAGQK GLSVAFDLPT HRGYDSDNPR VAGDVGMAGV AIDSIYDMRE DATA SEQUENCE LFAGIPLDQM SVSMTMNGAV LPILALYVVT AEEQGVKPEQ LAGTIQNDIL DATA SEQUENCE KEFMVRNTYI YPPQPSMRII SEIFAYTSAN MPKWNSISIS GYHMQEAGAT DATA SEQUENCE ADIEMAYTLA DGVDYIRAGE SVGLNVDQFA PRLSFFWGIG MNFFMEVAKL DATA SEQUENCE RAARMLWAKL VHQFGPKNPK SMSLRTHSQT SGWSLTAQDV YNNVVRTCIE DATA SEQUENCE AMAATQGHTQ SLHTNSLDEA IALPTDFSAR IARNTQLFLQ QESGTTRVID DATA SEQUENCE PWSGSAYVEE LTWDLARKAW GHIQEVEKVG GMAKAIEKGI PKMRIEEAAA DATA SEQUENCE RTQARIDSGR QPLIGVNKYR LEHEPPLDVL KVDNSTVLAE QKAKLVKLRA DATA SEQUENCE ERDPEKVKAA LDKITWAAGN PDDKDPDRNL LKLCIDAGRA MATVGEMSDA DATA SEQUENCE LEKVFGRYTA QIRTISGVYS KEVKNTPEVE EARELVEEFE QAEGRRPRIL DATA SEQUENCE LAKMGQDGHD RGQKVIATAY ADLGFDVDVG PLFQTPEETA RQAVEADVHV DATA SEQUENCE VGVSSLAGGH LTLVPALRKE LDKLGRPDIL ITVGGVIPEQ DFDELRKDGA DATA SEQUENCE VEIYTPGTVI PESAISLVKK LRASLDA 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.578 174.600 -0.037 0.000 1.055 2 S CA 0.000 58.178 58.200 -0.036 0.000 1.107 2 S CB 0.000 63.185 63.200 -0.024 0.000 0.593 3 T N 1.667 116.190 114.554 -0.052 0.000 3.315 3 T HA 0.693 5.042 4.350 -0.000 0.000 0.275 3 T C 0.036 174.702 174.700 -0.055 0.000 1.598 3 T CA -0.304 61.769 62.100 -0.045 0.000 1.368 3 T CB -0.034 68.809 68.868 -0.041 0.000 1.079 3 T HN 0.964 nan 8.240 nan 0.000 0.703 4 L N 1.096 122.287 121.223 -0.053 0.000 3.546 4 L HA -0.081 4.259 4.340 -0.000 0.000 0.668 4 L C -2.005 174.798 176.870 -0.112 0.000 1.139 4 L CA -0.129 54.679 54.840 -0.053 0.000 1.122 4 L CB -0.936 41.106 42.059 -0.027 0.000 1.545 4 L HN 0.423 nan 8.230 nan 0.000 0.851 5 P HA 0.205 nan 4.420 nan 0.000 0.268 5 P C -0.504 176.494 177.300 -0.503 0.000 1.204 5 P CA 0.003 62.840 63.100 -0.438 0.000 0.768 5 P CB 0.591 31.856 31.700 -0.725 0.000 0.842 6 R N 2.570 122.809 120.500 -0.434 0.000 2.310 6 R HA 0.284 4.624 4.340 -0.000 0.000 0.324 6 R C 0.205 176.315 176.300 -0.316 0.000 0.955 6 R CA -0.646 55.304 56.100 -0.250 0.000 0.830 6 R CB 0.079 30.323 30.300 -0.094 0.000 1.154 6 R HN 0.444 nan 8.270 nan 0.000 0.458 7 F N 1.205 121.157 119.950 0.003 0.000 2.769 7 F HA -0.009 4.518 4.527 -0.000 0.000 0.304 7 F C 1.597 177.399 175.800 0.003 0.000 1.158 7 F CA 0.217 58.219 58.000 0.003 0.000 1.398 7 F CB 0.147 39.149 39.000 0.004 0.000 1.094 7 F HN 0.447 nan 8.300 nan 0.000 0.553 8 D N -1.069 119.396 120.400 0.108 0.000 2.336 8 D HA -0.057 4.583 4.640 -0.000 0.000 0.229 8 D C 1.182 177.509 176.300 0.044 0.000 1.061 8 D CA 0.875 54.918 54.000 0.072 0.000 0.875 8 D CB -0.161 40.667 40.800 0.048 0.000 0.904 8 D HN 0.375 nan 8.370 nan 0.000 0.525 9 S N -0.779 114.941 115.700 0.033 0.000 2.663 9 S HA 0.133 4.603 4.470 -0.000 0.000 0.247 9 S C 0.740 175.358 174.600 0.029 0.000 1.074 9 S CA -0.401 57.809 58.200 0.017 0.000 0.955 9 S CB 0.211 63.406 63.200 -0.009 0.000 0.901 9 S HN 0.047 nan 8.310 nan 0.000 0.505 10 V N 4.362 124.307 119.914 0.052 0.000 2.529 10 V HA 0.226 4.346 4.120 -0.000 0.000 0.292 10 V C -0.218 175.929 176.094 0.088 0.000 1.028 10 V CA -0.268 62.081 62.300 0.081 0.000 1.074 10 V CB 0.051 31.982 31.823 0.180 0.000 0.958 10 V HN 0.286 nan 8.190 nan 0.000 0.481 11 D N 2.687 123.125 120.400 0.063 0.000 2.339 11 D HA 0.197 4.837 4.640 -0.000 0.000 0.245 11 D C 0.740 177.076 176.300 0.060 0.000 1.115 11 D CA -0.432 53.599 54.000 0.051 0.000 0.917 11 D CB 1.564 42.384 40.800 0.034 0.000 1.192 11 D HN 0.417 nan 8.370 nan 0.000 0.428 12 L N 1.400 122.650 121.223 0.044 0.000 2.095 12 L HA 0.163 4.503 4.340 -0.000 0.000 0.204 12 L C 1.027 177.914 176.870 0.028 0.000 1.080 12 L CA 2.006 56.866 54.840 0.034 0.000 0.759 12 L CB -0.616 41.453 42.059 0.017 0.000 0.914 12 L HN 0.707 nan 8.230 nan 0.000 0.439 13 G N -0.371 108.443 108.800 0.024 0.000 2.582 13 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.222 13 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.222 13 G C -0.468 174.440 174.900 0.014 0.000 1.311 13 G CA -0.088 45.025 45.100 0.020 0.000 0.915 13 G HN 0.416 nan 8.290 nan 0.000 0.528 14 N N 1.162 119.870 118.700 0.013 0.000 2.904 14 N HA 0.573 5.313 4.740 -0.000 0.000 0.257 14 N C 0.316 175.831 175.510 0.009 0.000 1.363 14 N CA 0.194 53.250 53.050 0.009 0.000 0.856 14 N CB 1.202 39.693 38.487 0.008 0.000 1.166 14 N HN 1.481 nan 8.380 nan 0.000 0.499 15 A N 2.151 124.976 122.820 0.009 0.000 2.062 15 A HA -0.177 4.143 4.320 -0.000 0.000 0.330 15 A C -0.858 176.732 177.584 0.009 0.000 0.781 15 A CA -0.529 51.513 52.037 0.008 0.000 1.457 15 A CB -0.443 18.560 19.000 0.006 0.000 0.630 15 A HN 0.502 nan 8.150 nan 0.000 0.241 16 P HA -0.093 nan 4.420 nan 0.000 0.230 16 P C 0.433 177.739 177.300 0.010 0.000 0.895 16 P CA 1.252 64.359 63.100 0.012 0.000 1.085 16 P CB -0.234 31.474 31.700 0.013 0.000 0.664 17 V N -2.468 117.453 119.914 0.011 0.000 4.959 17 V HA -0.117 4.003 4.120 -0.000 0.000 0.370 17 V C -1.870 174.231 176.094 0.012 0.000 0.656 17 V CA -0.298 62.008 62.300 0.011 0.000 1.480 17 V CB -2.379 29.448 31.823 0.008 0.000 1.789 17 V HN 0.414 nan 8.190 nan 0.000 0.474 18 P HA 0.465 nan 4.420 nan 0.000 0.274 18 P C 0.855 178.164 177.300 0.015 0.000 1.264 18 P CA 0.461 63.571 63.100 0.015 0.000 0.795 18 P CB 0.867 32.578 31.700 0.018 0.000 1.064 19 A N -0.044 122.785 122.820 0.014 0.000 2.147 19 A HA -0.034 4.286 4.320 -0.000 0.000 0.211 19 A C 1.451 179.045 177.584 0.016 0.000 1.160 19 A CA 0.700 52.745 52.037 0.014 0.000 0.781 19 A CB -0.691 18.315 19.000 0.010 0.000 0.842 19 A HN 0.657 nan 8.150 nan 0.000 0.475 20 D N 0.064 120.475 120.400 0.018 0.000 2.349 20 D HA 0.144 4.784 4.640 -0.000 0.000 0.215 20 D C 1.613 177.932 176.300 0.031 0.000 1.016 20 D CA 0.837 54.849 54.000 0.020 0.000 0.870 20 D CB -0.237 40.572 40.800 0.016 0.000 0.917 20 D HN 0.263 nan 8.370 nan 0.000 0.524 21 A N 2.173 125.015 122.820 0.036 0.000 1.863 21 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 21 A C 2.585 180.219 177.584 0.083 0.000 1.233 21 A CA 3.143 55.212 52.037 0.052 0.000 0.655 21 A CB -1.372 17.649 19.000 0.036 0.000 0.839 21 A HN 0.366 nan 8.150 nan 0.000 0.454 22 A N 0.547 123.409 122.820 0.071 0.000 1.894 22 A HA -0.320 4.000 4.320 -0.000 0.000 0.220 22 A C 2.221 179.868 177.584 0.105 0.000 1.237 22 A CA 3.033 55.127 52.037 0.095 0.000 0.660 22 A CB -0.760 18.272 19.000 0.054 0.000 0.835 22 A HN 0.809 nan 8.150 nan 0.000 0.461 23 R N -1.607 118.924 120.500 0.052 0.000 2.240 23 R HA 0.113 4.453 4.340 -0.000 0.000 0.203 23 R C 2.030 178.331 176.300 0.002 0.000 1.011 23 R CA 0.674 56.785 56.100 0.018 0.000 1.007 23 R CB -0.252 30.050 30.300 0.004 0.000 0.911 23 R HN 0.419 nan 8.270 nan 0.000 0.468 24 R N 0.243 120.760 120.500 0.029 0.000 2.092 24 R HA -0.095 4.245 4.340 -0.000 0.000 0.231 24 R C 1.947 178.269 176.300 0.037 0.000 1.119 24 R CA 1.449 57.564 56.100 0.025 0.000 0.970 24 R CB -0.425 29.901 30.300 0.042 0.000 0.864 24 R HN 0.249 nan 8.270 nan 0.000 0.440 25 F N 2.185 122.123 119.950 -0.020 0.000 2.075 25 F HA -0.226 4.301 4.527 -0.000 0.000 0.297 25 F C 2.533 178.315 175.800 -0.030 0.000 1.113 25 F CA 1.901 59.886 58.000 -0.026 0.000 1.218 25 F CB -0.787 38.194 39.000 -0.032 0.000 0.984 25 F HN -0.136 nan 8.300 nan 0.000 0.472 26 E N 0.542 120.537 120.200 -0.341 0.000 2.070 26 E HA -0.279 4.071 4.350 -0.000 0.000 0.197 26 E C 2.451 178.849 176.600 -0.337 0.000 1.004 26 E CA 1.962 58.118 56.400 -0.406 0.000 0.805 26 E CB -0.993 28.616 29.700 -0.151 0.000 0.744 26 E HN 0.729 nan 8.360 nan 0.000 0.451 27 E N 0.220 120.299 120.200 -0.201 0.000 2.110 27 E HA -0.071 4.279 4.350 -0.000 0.000 0.193 27 E C 2.192 178.688 176.600 -0.173 0.000 0.988 27 E CA 1.400 57.709 56.400 -0.151 0.000 0.804 27 E CB -0.852 28.796 29.700 -0.085 0.000 0.745 27 E HN 0.569 nan 8.360 nan 0.000 0.458 28 L N -0.307 120.796 121.223 -0.201 0.000 2.042 28 L HA -0.118 4.221 4.340 -0.000 0.000 0.210 28 L C 3.094 179.823 176.870 -0.235 0.000 1.076 28 L CA 1.311 56.048 54.840 -0.171 0.000 0.749 28 L CB -0.285 41.726 42.059 -0.080 0.000 0.893 28 L HN 0.464 nan 8.230 nan 0.000 0.432 29 A N -0.445 122.088 122.820 -0.478 0.000 1.929 29 A HA -0.073 4.247 4.320 -0.000 0.000 0.216 29 A C 2.473 179.910 177.584 -0.245 0.000 1.176 29 A CA 1.448 53.227 52.037 -0.430 0.000 0.628 29 A CB -0.568 17.927 19.000 -0.843 0.000 0.816 29 A HN 0.396 nan 8.150 nan 0.000 0.444 30 A N -0.343 122.338 122.820 -0.230 0.000 1.929 30 A HA 0.119 4.439 4.320 -0.000 0.000 0.216 30 A C 2.364 179.888 177.584 -0.101 0.000 1.176 30 A CA 2.408 54.362 52.037 -0.138 0.000 0.628 30 A CB -0.796 18.130 19.000 -0.125 0.000 0.816 30 A HN 0.633 nan 8.150 nan 0.000 0.444 31 K N -0.357 119.982 120.400 -0.102 0.000 2.026 31 K HA 0.176 4.496 4.320 -0.000 0.000 0.208 31 K C 2.341 178.907 176.600 -0.055 0.000 1.048 31 K CA 1.868 58.115 56.287 -0.068 0.000 0.929 31 K CB -1.448 31.016 32.500 -0.061 0.000 0.713 31 K HN 0.932 nan 8.250 nan 0.000 0.439 32 A N -0.854 121.929 122.820 -0.062 0.000 2.070 32 A HA 0.341 4.661 4.320 -0.000 0.000 0.220 32 A C 2.213 179.775 177.584 -0.037 0.000 1.159 32 A CA 1.852 53.864 52.037 -0.042 0.000 0.656 32 A CB -0.529 18.450 19.000 -0.035 0.000 0.800 32 A HN 1.714 nan 8.150 nan 0.000 0.453 33 G N -2.654 106.119 108.800 -0.045 0.000 2.175 33 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.182 33 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.182 33 G C 0.277 175.159 174.900 -0.030 0.000 1.003 33 G CA 0.096 45.177 45.100 -0.033 0.000 0.666 33 G HN 0.636 nan 8.290 nan 0.000 0.506 34 T N 2.034 116.563 114.554 -0.041 0.000 2.704 34 T HA 0.415 4.765 4.350 -0.000 0.000 0.271 34 T C 1.453 176.140 174.700 -0.023 0.000 1.000 34 T CA 0.979 63.059 62.100 -0.032 0.000 1.216 34 T CB 0.895 69.732 68.868 -0.052 0.000 0.961 34 T HN 0.963 nan 8.240 nan 0.000 0.515 35 G N 2.474 111.272 108.800 -0.005 0.000 2.666 35 G HA2 0.593 4.553 3.960 -0.000 0.000 0.207 35 G HA3 0.593 4.553 3.960 -0.000 0.000 0.207 35 G C 0.306 175.215 174.900 0.015 0.000 1.481 35 G CA -0.118 44.985 45.100 0.005 0.000 1.071 35 G HN 0.902 nan 8.290 nan 0.000 0.572 36 E N -1.246 118.972 120.200 0.029 0.000 2.405 36 E HA 0.605 4.955 4.350 -0.000 0.000 0.253 36 E C 0.594 177.235 176.600 0.067 0.000 1.257 36 E CA -0.323 56.100 56.400 0.037 0.000 0.960 36 E CB -0.031 29.690 29.700 0.035 0.000 1.077 36 E HN 1.246 nan 8.360 nan 0.000 0.512 37 A N -0.476 122.388 122.820 0.074 0.000 2.445 37 A HA 0.407 4.727 4.320 -0.000 0.000 0.242 37 A C -0.222 177.482 177.584 0.199 0.000 1.075 37 A CA -0.150 51.958 52.037 0.119 0.000 0.777 37 A CB -0.151 18.905 19.000 0.094 0.000 1.013 37 A HN 0.879 nan 8.150 nan 0.000 0.493 38 W N 1.909 123.235 121.300 0.044 0.000 2.253 38 W HA 0.318 4.978 4.660 -0.000 0.000 0.322 38 W C -0.370 176.184 176.519 0.060 0.000 1.342 38 W CA -0.292 57.084 57.345 0.051 0.000 1.218 38 W CB 0.455 29.954 29.460 0.064 0.000 1.205 38 W HN 0.582 nan 8.180 nan 0.000 0.551 39 E N 4.794 124.915 120.200 -0.133 0.000 2.046 39 E HA 0.084 4.434 4.350 -0.000 0.000 0.279 39 E C 0.547 176.735 176.600 -0.687 0.000 0.989 39 E CA -0.065 56.154 56.400 -0.302 0.000 0.798 39 E CB 0.527 30.159 29.700 -0.115 0.000 1.086 39 E HN 0.526 nan 8.360 nan 0.000 0.399 40 T N -0.787 113.238 114.554 -0.881 0.000 2.748 40 T HA 0.184 4.534 4.350 -0.000 0.000 0.304 40 T C 1.411 175.872 174.700 -0.399 0.000 1.041 40 T CA -0.028 61.538 62.100 -0.890 0.000 1.033 40 T CB 1.051 69.496 68.868 -0.705 0.000 0.995 40 T HN 0.328 nan 8.240 nan 0.000 0.536 41 A N 0.177 122.846 122.820 -0.250 0.000 2.070 41 A HA -0.015 4.305 4.320 -0.000 0.000 0.220 41 A C 2.101 179.601 177.584 -0.140 0.000 1.159 41 A CA 1.353 53.303 52.037 -0.144 0.000 0.656 41 A CB -0.922 18.025 19.000 -0.089 0.000 0.800 41 A HN 0.889 nan 8.150 nan 0.000 0.453 42 E N -1.090 119.015 120.200 -0.157 0.000 2.358 42 E HA 0.010 4.360 4.350 -0.000 0.000 0.195 42 E C 0.297 176.830 176.600 -0.112 0.000 1.010 42 E CA 0.560 56.883 56.400 -0.129 0.000 0.856 42 E CB -0.137 29.482 29.700 -0.135 0.000 0.795 42 E HN 0.632 nan 8.360 nan 0.000 0.504 43 Q N -0.847 118.869 119.800 -0.139 0.000 2.470 43 Q HA -0.154 4.186 4.340 -0.000 0.000 0.281 43 Q C -1.075 174.862 176.000 -0.105 0.000 1.260 43 Q CA 0.181 55.916 55.803 -0.114 0.000 0.815 43 Q CB -1.665 27.028 28.738 -0.075 0.000 1.204 43 Q HN 0.276 nan 8.270 nan 0.000 0.444 44 I N 1.841 122.330 120.570 -0.136 0.000 2.390 44 I HA 0.338 4.508 4.170 -0.000 0.000 0.283 44 I C -2.073 173.983 176.117 -0.101 0.000 1.016 44 I CA -2.190 59.049 61.300 -0.101 0.000 1.151 44 I CB 1.223 39.163 38.000 -0.099 0.000 1.293 44 I HN -0.139 nan 8.210 nan 0.000 0.458 45 P HA 0.123 nan 4.420 nan 0.000 0.276 45 P C -0.585 176.807 177.300 0.153 0.000 1.243 45 P CA -0.115 63.003 63.100 0.030 0.000 0.768 45 P CB 1.372 33.096 31.700 0.040 0.000 0.856 46 V N 4.616 124.661 119.914 0.218 0.000 2.326 46 V HA 0.450 4.570 4.120 -0.000 0.000 0.281 46 V C 1.095 177.390 176.094 0.335 0.000 1.015 46 V CA -0.263 62.298 62.300 0.435 0.000 0.823 46 V CB 1.160 33.323 31.823 0.565 0.000 1.009 46 V HN 0.729 nan 8.190 nan 0.000 0.436 47 G N 2.850 111.750 108.800 0.167 0.000 2.535 47 G HA2 0.332 4.292 3.960 -0.000 0.000 0.282 47 G HA3 0.332 4.292 3.960 -0.000 0.000 0.282 47 G C 1.113 175.951 174.900 -0.103 0.000 1.350 47 G CA 0.469 45.541 45.100 -0.046 0.000 1.039 47 G HN 0.723 nan 8.290 nan 0.000 0.509 48 T N -2.756 111.734 114.554 -0.107 0.000 3.113 48 T HA 0.269 4.619 4.350 -0.000 0.000 0.256 48 T C 0.347 174.952 174.700 -0.160 0.000 1.131 48 T CA 0.565 62.623 62.100 -0.071 0.000 1.074 48 T CB -0.189 68.702 68.868 0.039 0.000 0.944 48 T HN 0.510 nan 8.240 nan 0.000 0.516 49 L N -0.236 120.765 121.223 -0.371 0.000 2.549 49 L HA 0.663 5.003 4.340 -0.000 0.000 0.259 49 L C -2.257 174.267 176.870 -0.577 0.000 0.934 49 L CA -0.994 53.612 54.840 -0.389 0.000 0.865 49 L CB 1.764 43.528 42.059 -0.492 0.000 1.352 49 L HN 0.037 nan 8.230 nan 0.000 0.410 50 F N 3.317 123.173 119.950 -0.157 0.000 2.507 50 F HA 0.618 5.145 4.527 -0.000 0.000 0.325 50 F C 0.252 175.974 175.800 -0.129 0.000 1.116 50 F CA -0.286 57.651 58.000 -0.106 0.000 0.930 50 F CB 2.038 41.015 39.000 -0.038 0.000 1.146 50 F HN 0.548 nan 8.300 nan 0.000 0.447 51 N N 0.323 119.002 118.700 -0.035 0.000 3.100 51 N HA 0.307 5.047 4.740 -0.000 0.000 0.344 51 N C 0.433 175.824 175.510 -0.199 0.000 1.413 51 N CA -0.703 52.296 53.050 -0.084 0.000 0.752 51 N CB 0.693 39.128 38.487 -0.086 0.000 1.519 51 N HN 0.422 nan 8.380 nan 0.000 0.620 52 E N 0.076 120.197 120.200 -0.132 0.000 2.331 52 E HA -0.176 4.174 4.350 -0.000 0.000 0.199 52 E C 0.588 177.099 176.600 -0.148 0.000 1.008 52 E CA 0.926 57.268 56.400 -0.097 0.000 0.843 52 E CB -0.412 29.371 29.700 0.138 0.000 0.761 52 E HN 0.559 nan 8.360 nan 0.000 0.507 53 D N 0.940 121.262 120.400 -0.131 0.000 2.312 53 D HA -0.117 4.523 4.640 -0.000 0.000 0.211 53 D C 1.783 178.014 176.300 -0.115 0.000 0.964 53 D CA 1.105 55.054 54.000 -0.085 0.000 0.877 53 D CB -0.204 40.569 40.800 -0.046 0.000 0.924 53 D HN 0.330 nan 8.370 nan 0.000 0.515 54 V N -1.496 118.286 119.914 -0.221 0.000 2.809 54 V HA -0.171 3.949 4.120 -0.000 0.000 0.256 54 V C 1.936 177.877 176.094 -0.254 0.000 1.080 54 V CA 0.699 62.892 62.300 -0.179 0.000 1.102 54 V CB -1.382 30.346 31.823 -0.159 0.000 0.705 54 V HN -0.073 nan 8.190 nan 0.000 0.475 55 Y N 2.068 122.280 120.300 -0.148 0.000 2.421 55 Y HA 0.090 4.640 4.550 -0.000 0.000 0.292 55 Y C 2.804 178.507 175.900 -0.328 0.000 1.136 55 Y CA 0.954 58.889 58.100 -0.275 0.000 1.255 55 Y CB -1.485 36.843 38.460 -0.220 0.000 0.991 55 Y HN 0.430 nan 8.280 nan 0.000 0.552 56 K N 0.707 121.050 120.400 -0.094 0.000 2.030 56 K HA -0.232 4.088 4.320 -0.000 0.000 0.222 56 K C 1.398 177.879 176.600 -0.199 0.000 1.056 56 K CA 2.339 58.560 56.287 -0.110 0.000 0.957 56 K CB -1.325 31.142 32.500 -0.056 0.000 0.727 56 K HN 0.424 nan 8.250 nan 0.000 0.452 57 D N -0.062 120.174 120.400 -0.274 0.000 2.328 57 D HA 0.132 4.772 4.640 -0.000 0.000 0.226 57 D C 0.144 175.972 176.300 -0.786 0.000 1.066 57 D CA 0.123 53.906 54.000 -0.361 0.000 0.861 57 D CB -0.075 40.693 40.800 -0.054 0.000 0.912 57 D HN 0.560 nan 8.370 nan 0.000 0.521 58 M N 1.228 120.268 119.600 -0.934 0.000 2.144 58 M HA 0.112 4.592 4.480 -0.000 0.000 0.356 58 M C 0.411 176.167 176.300 -0.907 0.000 1.217 58 M CA -0.391 54.102 55.300 -1.345 0.000 1.087 58 M CB 1.284 32.833 32.600 -1.752 0.000 1.609 58 M HN -0.248 nan 8.290 nan 0.000 0.467 59 D N 0.691 120.705 120.400 -0.644 0.000 2.395 59 D HA 0.005 4.645 4.640 -0.000 0.000 0.213 59 D C 0.740 176.910 176.300 -0.216 0.000 1.110 59 D CA -0.184 53.626 54.000 -0.317 0.000 0.835 59 D CB -0.213 40.516 40.800 -0.118 0.000 0.965 59 D HN 0.766 nan 8.370 nan 0.000 0.505 60 W N -0.421 120.771 121.300 -0.180 0.000 3.103 60 W HA 0.403 5.063 4.660 -0.000 0.000 0.325 60 W C 0.741 177.154 176.519 -0.177 0.000 1.170 60 W CA -0.516 56.722 57.345 -0.180 0.000 1.712 60 W CB -0.508 28.838 29.460 -0.190 0.000 1.068 60 W HN -0.176 nan 8.180 nan 0.000 0.592 61 L N 1.481 122.419 121.223 -0.474 0.000 2.642 61 L HA -0.063 4.277 4.340 -0.000 0.000 0.236 61 L C 0.757 177.512 176.870 -0.191 0.000 1.169 61 L CA 1.347 56.000 54.840 -0.311 0.000 0.851 61 L CB -0.550 41.206 42.059 -0.505 0.000 0.968 61 L HN -0.017 nan 8.230 nan 0.000 0.453 62 D N -0.537 119.761 120.400 -0.171 0.000 2.804 62 D HA 0.084 4.724 4.640 -0.000 0.000 0.308 62 D C 0.410 176.590 176.300 -0.200 0.000 1.371 62 D CA -0.063 53.827 54.000 -0.184 0.000 0.823 62 D CB 0.376 41.093 40.800 -0.139 0.000 1.126 62 D HN 0.123 nan 8.370 nan 0.000 0.467 63 T N -2.993 111.477 114.554 -0.140 0.000 2.937 63 T HA 0.570 4.920 4.350 -0.000 0.000 0.283 63 T C -0.252 174.323 174.700 -0.209 0.000 1.012 63 T CA -0.617 61.407 62.100 -0.127 0.000 0.997 63 T CB 1.312 70.138 68.868 -0.070 0.000 1.136 63 T HN -0.090 nan 8.240 nan 0.000 0.551 64 Y N -0.269 120.115 120.300 0.139 0.000 2.468 64 Y HA 0.624 5.174 4.550 -0.000 0.000 0.342 64 Y C 0.679 176.703 175.900 0.206 0.000 1.021 64 Y CA -1.123 57.083 58.100 0.177 0.000 1.079 64 Y CB 1.627 40.124 38.460 0.061 0.000 1.226 64 Y HN 1.059 nan 8.280 nan 0.000 0.460 65 A N 1.087 124.124 122.820 0.361 0.000 2.445 65 A HA 0.445 4.765 4.320 -0.000 0.000 0.242 65 A C 1.250 178.997 177.584 0.272 0.000 1.075 65 A CA 0.484 52.709 52.037 0.314 0.000 0.777 65 A CB -0.790 18.378 19.000 0.281 0.000 1.013 65 A HN 1.601 nan 8.150 nan 0.000 0.493 66 G N -0.016 108.986 108.800 0.336 0.000 2.153 66 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.252 66 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.252 66 G C -0.080 174.956 174.900 0.227 0.000 0.994 66 G CA 0.733 46.066 45.100 0.389 0.000 0.698 66 G HN 0.917 nan 8.290 nan 0.000 0.521 67 I N 0.271 120.783 120.570 -0.097 0.000 2.686 67 I HA 0.383 4.553 4.170 -0.000 0.000 0.295 67 I C -2.361 173.201 176.117 -0.925 0.000 1.114 67 I CA -2.812 58.276 61.300 -0.353 0.000 1.038 67 I CB 2.593 40.530 38.000 -0.106 0.000 1.238 67 I HN -0.222 nan 8.210 nan 0.000 0.420 68 P HA 0.021 nan 4.420 nan 0.000 0.264 68 P C -2.114 174.888 177.300 -0.497 0.000 1.183 68 P CA -0.655 61.852 63.100 -0.989 0.000 0.763 68 P CB -0.136 31.255 31.700 -0.516 0.000 0.807 69 P HA 0.162 nan 4.420 nan 0.000 0.253 69 P C -0.464 176.747 177.300 -0.148 0.000 1.459 69 P CA -0.451 62.496 63.100 -0.256 0.000 0.908 69 P CB -0.387 31.238 31.700 -0.124 0.000 1.470 70 F N -1.911 117.997 119.950 -0.069 0.000 3.004 70 F HA -0.209 4.318 4.527 -0.000 0.000 0.264 70 F C 1.756 177.481 175.800 -0.124 0.000 0.979 70 F CA 0.457 58.419 58.000 -0.064 0.000 0.896 70 F CB -2.509 36.468 39.000 -0.037 0.000 0.813 70 F HN -0.030 nan 8.300 nan 0.000 0.804 71 V N 0.219 120.053 119.914 -0.133 0.000 2.358 71 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 71 V C 2.437 178.418 176.094 -0.187 0.000 1.047 71 V CA 2.494 64.638 62.300 -0.259 0.000 1.035 71 V CB -0.217 31.345 31.823 -0.434 0.000 0.658 71 V HN 0.565 nan 8.190 nan 0.000 0.452 72 H N 0.693 119.781 119.070 0.030 0.000 2.495 72 H HA 0.381 4.937 4.556 -0.000 0.000 0.287 72 H C 0.988 176.376 175.328 0.100 0.000 1.033 72 H CA 0.853 56.921 56.048 0.033 0.000 1.307 72 H CB -0.167 29.622 29.762 0.045 0.000 1.401 72 H HN 0.639 nan 8.280 nan 0.000 0.555 73 G N -0.801 108.121 108.800 0.204 0.000 2.350 73 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.304 73 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.304 73 G C -2.225 172.732 174.900 0.094 0.000 1.421 73 G CA -0.440 44.735 45.100 0.125 0.000 0.934 73 G HN -0.187 nan 8.290 nan 0.000 0.632 74 P HA 0.041 nan 4.420 nan 0.000 0.219 74 P C -0.065 177.147 177.300 -0.147 0.000 1.150 74 P CA 1.153 64.002 63.100 -0.418 0.000 0.814 74 P CB 0.038 31.200 31.700 -0.896 0.000 0.787 75 Y N -1.384 119.001 120.300 0.142 0.000 2.446 75 Y HA 0.588 5.138 4.550 -0.000 0.000 0.338 75 Y C 1.840 177.826 175.900 0.143 0.000 1.055 75 Y CA -1.374 56.803 58.100 0.128 0.000 1.101 75 Y CB 0.197 38.715 38.460 0.096 0.000 1.221 75 Y HN -0.181 nan 8.280 nan 0.000 0.460 76 A N 0.901 123.884 122.820 0.272 0.000 1.940 76 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 76 A C 1.904 179.584 177.584 0.160 0.000 1.176 76 A CA 2.457 54.605 52.037 0.185 0.000 0.631 76 A CB -1.110 17.956 19.000 0.109 0.000 0.814 76 A HN 0.864 nan 8.150 nan 0.000 0.446 77 T N -4.871 109.769 114.554 0.144 0.000 3.044 77 T HA 0.351 4.701 4.350 -0.000 0.000 0.250 77 T C 0.981 175.800 174.700 0.197 0.000 1.081 77 T CA 0.493 62.684 62.100 0.151 0.000 1.040 77 T CB -0.196 68.740 68.868 0.112 0.000 0.962 77 T HN 0.210 nan 8.240 nan 0.000 0.506 78 M N 0.822 120.558 119.600 0.226 0.000 7.319 78 M HA -0.262 4.218 4.480 -0.000 0.000 0.095 78 M C 0.894 177.333 176.300 0.231 0.000 0.480 78 M CA 1.521 56.891 55.300 0.118 0.000 1.311 78 M CB -2.041 30.467 32.600 -0.153 0.000 0.421 78 M HN 0.293 nan 8.290 nan 0.000 0.241 79 Y N 0.111 120.451 120.300 0.067 0.000 2.561 79 Y HA 0.324 4.874 4.550 -0.000 0.000 0.291 79 Y C 2.286 178.239 175.900 0.089 0.000 1.141 79 Y CA 0.851 59.000 58.100 0.081 0.000 1.303 79 Y CB -1.578 36.942 38.460 0.100 0.000 1.015 79 Y HN 0.619 nan 8.280 nan 0.000 0.547 80 A N -0.270 122.701 122.820 0.252 0.000 1.940 80 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 80 A C 2.070 179.788 177.584 0.222 0.000 1.176 80 A CA 1.804 53.957 52.037 0.193 0.000 0.631 80 A CB -0.967 18.133 19.000 0.167 0.000 0.814 80 A HN 0.420 nan 8.150 nan 0.000 0.446 81 F N -1.209 118.791 119.950 0.085 0.000 2.343 81 F HA 0.356 4.883 4.527 -0.000 0.000 0.286 81 F C 0.924 176.745 175.800 0.034 0.000 1.057 81 F CA 0.819 58.849 58.000 0.049 0.000 1.365 81 F CB 0.313 39.337 39.000 0.041 0.000 1.114 81 F HN 0.101 nan 8.300 nan 0.000 0.545 82 R N 0.917 121.463 120.500 0.076 0.000 2.515 82 R HA 0.312 4.652 4.340 -0.000 0.000 0.278 82 R C -2.974 173.357 176.300 0.052 0.000 1.107 82 R CA -2.077 53.972 56.100 -0.085 0.000 0.945 82 R CB 1.852 32.082 30.300 -0.116 0.000 1.219 82 R HN -0.120 nan 8.270 nan 0.000 0.434 83 P HA 0.099 nan 4.420 nan 0.000 0.274 83 P C -0.644 176.440 177.300 -0.361 0.000 1.256 83 P CA -0.399 62.447 63.100 -0.424 0.000 0.795 83 P CB 0.398 31.652 31.700 -0.742 0.000 1.038 84 W N 0.324 121.331 121.300 -0.488 0.000 2.124 84 W HA 0.265 4.925 4.660 -0.000 0.000 0.356 84 W C -0.543 175.917 176.519 -0.099 0.000 1.302 84 W CA -0.327 56.932 57.345 -0.143 0.000 1.293 84 W CB -1.549 27.820 29.460 -0.152 0.000 1.199 84 W HN 0.150 nan 8.180 nan 0.000 0.606 85 T N 3.420 118.020 114.554 0.077 0.000 2.814 85 T HA 0.232 4.582 4.350 -0.000 0.000 0.297 85 T C 0.242 174.989 174.700 0.078 0.000 0.956 85 T CA -0.325 61.766 62.100 -0.014 0.000 1.123 85 T CB 0.082 68.981 68.868 0.050 0.000 0.902 85 T HN 0.296 nan 8.240 nan 0.000 0.528 86 I N 4.165 124.702 120.570 -0.055 0.000 2.406 86 I HA 0.208 4.378 4.170 -0.000 0.000 0.293 86 I C 1.010 177.165 176.117 0.064 0.000 1.101 86 I CA 0.237 61.580 61.300 0.071 0.000 1.334 86 I CB 0.107 38.097 38.000 -0.017 0.000 1.421 86 I HN 0.390 nan 8.210 nan 0.000 0.513 87 R N 5.833 126.415 120.500 0.137 0.000 2.585 87 R HA 0.201 4.541 4.340 -0.000 0.000 0.278 87 R C -0.828 175.593 176.300 0.201 0.000 1.663 87 R CA -0.627 55.538 56.100 0.107 0.000 1.592 87 R CB 0.550 30.895 30.300 0.075 0.000 1.200 87 R HN 0.520 nan 8.270 nan 0.000 0.611 88 Q N 2.443 122.344 119.800 0.168 0.000 2.288 88 Q HA 0.019 4.358 4.340 -0.000 0.000 0.258 88 Q C -0.805 175.403 176.000 0.347 0.000 0.957 88 Q CA -0.121 55.876 55.803 0.323 0.000 0.919 88 Q CB 1.181 29.992 28.738 0.121 0.000 1.185 88 Q HN 0.382 nan 8.270 nan 0.000 0.408 89 Y N 1.855 122.366 120.300 0.351 0.000 2.359 89 Y HA 0.407 4.957 4.550 -0.000 0.000 0.330 89 Y C -0.490 175.522 175.900 0.188 0.000 1.143 89 Y CA -0.446 57.682 58.100 0.046 0.000 1.318 89 Y CB 0.597 38.905 38.460 -0.253 0.000 1.234 89 Y HN 0.679 nan 8.280 nan 0.000 0.522 90 A N 2.881 125.676 122.820 -0.042 0.000 2.586 90 A HA 0.811 5.131 4.320 -0.000 0.000 0.291 90 A C -0.666 177.031 177.584 0.189 0.000 1.062 90 A CA -0.218 51.934 52.037 0.192 0.000 0.666 90 A CB 0.959 20.297 19.000 0.562 0.000 1.281 90 A HN 1.717 nan 8.150 nan 0.000 0.421 91 G N -0.709 108.240 108.800 0.248 0.000 2.277 91 G HA2 0.686 4.646 3.960 -0.000 0.000 0.272 91 G HA3 0.686 4.646 3.960 -0.000 0.000 0.272 91 G C -1.126 173.814 174.900 0.066 0.000 1.692 91 G CA 0.102 45.206 45.100 0.006 0.000 0.926 91 G HN 2.292 nan 8.290 nan 0.000 0.720 92 F N 0.403 120.294 119.950 -0.099 0.000 2.703 92 F HA 0.846 5.373 4.527 -0.000 0.000 0.308 92 F C 0.552 176.302 175.800 -0.083 0.000 1.126 92 F CA 0.031 57.979 58.000 -0.086 0.000 0.959 92 F CB 1.144 40.078 39.000 -0.109 0.000 1.297 92 F HN 1.685 nan 8.300 nan 0.000 0.441 93 S N 0.534 116.245 115.700 0.020 0.000 4.110 93 S HA -0.238 4.232 4.470 -0.000 0.000 0.573 93 S C 0.456 174.966 174.600 -0.150 0.000 1.936 93 S CA 2.118 60.295 58.200 -0.038 0.000 4.227 93 S CB -1.863 61.373 63.200 0.060 0.000 0.327 93 S HN 2.017 nan 8.310 nan 0.000 0.532 94 T N -0.300 114.134 114.554 -0.199 0.000 2.881 94 T HA 0.803 5.153 4.350 -0.000 0.000 0.278 94 T C 1.272 175.811 174.700 -0.268 0.000 0.982 94 T CA 0.316 62.311 62.100 -0.174 0.000 0.989 94 T CB 1.315 70.113 68.868 -0.117 0.000 1.058 94 T HN 1.301 nan 8.240 nan 0.000 0.529 95 A N 1.031 123.737 122.820 -0.190 0.000 1.877 95 A HA -0.041 4.279 4.320 -0.000 0.000 0.216 95 A C 2.380 179.811 177.584 -0.256 0.000 1.186 95 A CA 1.805 53.708 52.037 -0.224 0.000 0.620 95 A CB -0.982 17.940 19.000 -0.130 0.000 0.822 95 A HN 0.930 nan 8.150 nan 0.000 0.443 96 K N -0.313 119.977 120.400 -0.183 0.000 2.057 96 K HA -0.167 4.153 4.320 -0.000 0.000 0.207 96 K C 2.003 178.481 176.600 -0.203 0.000 1.049 96 K CA 1.864 58.054 56.287 -0.162 0.000 0.931 96 K CB -0.157 32.281 32.500 -0.102 0.000 0.714 96 K HN 0.669 nan 8.250 nan 0.000 0.440 97 E N -0.385 119.668 120.200 -0.246 0.000 2.072 97 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 97 E C 2.079 178.391 176.600 -0.481 0.000 0.985 97 E CA 1.137 57.373 56.400 -0.274 0.000 0.801 97 E CB 0.021 29.563 29.700 -0.264 0.000 0.750 97 E HN 0.116 nan 8.360 nan 0.000 0.452 98 S N 0.941 116.199 115.700 -0.736 0.000 2.353 98 S HA -0.199 4.270 4.470 -0.000 0.000 0.222 98 S C 1.820 175.862 174.600 -0.930 0.000 1.035 98 S CA 1.197 58.870 58.200 -0.879 0.000 1.025 98 S CB -0.399 62.317 63.200 -0.806 0.000 0.902 98 S HN 0.337 nan 8.310 nan 0.000 0.440 99 N N 1.530 119.821 118.700 -0.683 0.000 2.166 99 N HA -0.107 4.632 4.740 -0.000 0.000 0.186 99 N C 1.764 177.141 175.510 -0.222 0.000 1.019 99 N CA 1.327 54.094 53.050 -0.472 0.000 0.856 99 N CB -0.256 38.071 38.487 -0.266 0.000 0.993 99 N HN 0.367 nan 8.380 nan 0.000 0.426 100 A N 0.624 123.359 122.820 -0.142 0.000 1.902 100 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 100 A C 2.027 179.661 177.584 0.082 0.000 1.181 100 A CA 0.843 52.874 52.037 -0.011 0.000 0.623 100 A CB -1.076 17.935 19.000 0.018 0.000 0.818 100 A HN 0.390 nan 8.150 nan 0.000 0.443 101 F N 0.073 119.977 119.950 -0.076 0.000 2.120 101 F HA -0.217 4.310 4.527 -0.000 0.000 0.300 101 F C 2.147 178.020 175.800 0.123 0.000 1.095 101 F CA 1.350 59.377 58.000 0.044 0.000 1.249 101 F CB -0.684 38.397 39.000 0.134 0.000 0.995 101 F HN 0.362 nan 8.300 nan 0.000 0.480 102 Y N 0.338 120.602 120.300 -0.060 0.000 2.151 102 Y HA -0.205 4.345 4.550 -0.000 0.000 0.284 102 Y C 2.664 178.505 175.900 -0.099 0.000 1.166 102 Y CA 1.486 59.507 58.100 -0.132 0.000 1.163 102 Y CB -1.409 37.006 38.460 -0.076 0.000 0.974 102 Y HN 0.087 nan 8.280 nan 0.000 0.511 103 R N -0.348 120.215 120.500 0.106 0.000 2.119 103 R HA -0.016 4.324 4.340 -0.000 0.000 0.222 103 R C 2.338 178.656 176.300 0.029 0.000 1.088 103 R CA 0.604 56.742 56.100 0.064 0.000 0.984 103 R CB -0.139 30.194 30.300 0.055 0.000 0.884 103 R HN 0.309 nan 8.270 nan 0.000 0.447 104 R N 0.379 120.893 120.500 0.024 0.000 2.090 104 R HA -0.006 4.334 4.340 -0.000 0.000 0.228 104 R C 1.732 178.010 176.300 -0.037 0.000 1.110 104 R CA 1.038 57.148 56.100 0.017 0.000 0.973 104 R CB -0.156 30.184 30.300 0.067 0.000 0.869 104 R HN 0.209 nan 8.270 nan 0.000 0.440 105 N N 0.982 119.606 118.700 -0.125 0.000 2.120 105 N HA -0.123 4.617 4.740 -0.000 0.000 0.188 105 N C 1.882 177.342 175.510 -0.083 0.000 1.024 105 N CA 1.111 54.064 53.050 -0.161 0.000 0.852 105 N CB -0.197 38.107 38.487 -0.305 0.000 1.003 105 N HN 0.184 nan 8.380 nan 0.000 0.424 106 L N 0.556 121.749 121.223 -0.049 0.000 2.093 106 L HA -0.023 4.317 4.340 -0.000 0.000 0.208 106 L C 2.296 179.153 176.870 -0.022 0.000 1.085 106 L CA 0.862 55.684 54.840 -0.030 0.000 0.755 106 L CB -0.418 41.639 42.059 -0.003 0.000 0.904 106 L HN 0.100 nan 8.230 nan 0.000 0.435 107 A N -0.040 122.774 122.820 -0.011 0.000 2.015 107 A HA -0.031 4.289 4.320 -0.000 0.000 0.219 107 A C 2.138 179.715 177.584 -0.011 0.000 1.163 107 A CA 1.449 53.483 52.037 -0.006 0.000 0.646 107 A CB -0.450 18.553 19.000 0.005 0.000 0.806 107 A HN 0.368 nan 8.150 nan 0.000 0.448 108 A N -1.910 120.900 122.820 -0.016 0.000 2.370 108 A HA 0.473 4.793 4.320 -0.000 0.000 0.238 108 A C 1.448 179.017 177.584 -0.024 0.000 1.289 108 A CA 0.982 53.011 52.037 -0.014 0.000 0.885 108 A CB -0.771 18.224 19.000 -0.009 0.000 0.961 108 A HN 1.688 nan 8.150 nan 0.000 0.499 109 G N -1.167 107.613 108.800 -0.035 0.000 2.255 109 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.196 109 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.196 109 G C 0.273 175.139 174.900 -0.057 0.000 0.998 109 G CA 0.105 45.177 45.100 -0.046 0.000 0.656 109 G HN 0.724 nan 8.290 nan 0.000 0.490 110 Q N 0.400 120.168 119.800 -0.053 0.000 2.364 110 Q HA 0.528 4.868 4.340 -0.000 0.000 0.267 110 Q C 1.361 177.325 176.000 -0.060 0.000 0.999 110 Q CA 0.517 56.287 55.803 -0.055 0.000 0.886 110 Q CB 0.960 29.660 28.738 -0.063 0.000 1.243 110 Q HN 0.209 nan 8.270 nan 0.000 0.415 111 K N 2.232 122.594 120.400 -0.064 0.000 2.225 111 K HA 0.264 4.584 4.320 -0.000 0.000 0.204 111 K C -0.117 176.449 176.600 -0.057 0.000 1.047 111 K CA 1.227 57.472 56.287 -0.071 0.000 0.970 111 K CB 0.215 32.655 32.500 -0.100 0.000 0.939 111 K HN 0.617 nan 8.250 nan 0.000 0.472 112 G N 1.083 109.852 108.800 -0.053 0.000 2.461 112 G HA2 0.526 4.486 3.960 -0.000 0.000 0.323 112 G HA3 0.526 4.486 3.960 -0.000 0.000 0.323 112 G C -1.089 173.762 174.900 -0.081 0.000 1.229 112 G CA -0.709 44.355 45.100 -0.060 0.000 0.941 112 G HN 0.129 nan 8.290 nan 0.000 0.477 113 L N 0.938 122.103 121.223 -0.097 0.000 2.439 113 L HA 0.624 4.964 4.340 -0.000 0.000 0.261 113 L C 0.672 177.442 176.870 -0.168 0.000 1.153 113 L CA -0.409 54.322 54.840 -0.183 0.000 0.808 113 L CB 1.695 43.637 42.059 -0.196 0.000 1.126 113 L HN 0.518 nan 8.230 nan 0.000 0.460 114 S N 1.035 116.610 115.700 -0.208 0.000 2.668 114 S HA 0.537 5.007 4.470 -0.000 0.000 0.277 114 S C -1.047 173.497 174.600 -0.094 0.000 1.170 114 S CA -0.593 57.551 58.200 -0.095 0.000 0.994 114 S CB 1.432 64.623 63.200 -0.016 0.000 1.051 114 S HN 0.232 nan 8.310 nan 0.000 0.484 115 V N 3.878 123.752 119.914 -0.068 0.000 2.427 115 V HA 0.822 4.942 4.120 -0.000 0.000 0.286 115 V C 0.428 176.333 176.094 -0.314 0.000 1.034 115 V CA -0.567 61.589 62.300 -0.241 0.000 0.893 115 V CB 1.273 32.884 31.823 -0.354 0.000 0.982 115 V HN 1.027 nan 8.190 nan 0.000 0.452 116 A N 5.197 127.717 122.820 -0.500 0.000 2.287 116 A HA 0.857 5.177 4.320 -0.000 0.000 0.317 116 A C -0.950 176.444 177.584 -0.317 0.000 1.220 116 A CA -0.312 51.447 52.037 -0.463 0.000 0.835 116 A CB 0.290 18.789 19.000 -0.835 0.000 1.180 116 A HN 0.597 nan 8.150 nan 0.000 0.500 117 F N 1.365 121.403 119.950 0.147 0.000 2.432 117 F HA 0.406 4.933 4.527 -0.000 0.000 0.329 117 F C 0.787 176.717 175.800 0.217 0.000 1.076 117 F CA -0.628 57.429 58.000 0.096 0.000 1.018 117 F CB 1.349 40.289 39.000 -0.100 0.000 1.201 117 F HN 0.732 nan 8.300 nan 0.000 0.489 118 D N 0.704 121.304 120.400 0.334 0.000 2.369 118 D HA 0.046 4.686 4.640 -0.000 0.000 0.241 118 D C 0.941 177.456 176.300 0.358 0.000 1.271 118 D CA -0.187 53.974 54.000 0.267 0.000 0.942 118 D CB 0.509 41.409 40.800 0.166 0.000 1.129 118 D HN 0.490 nan 8.370 nan 0.000 0.476 119 L N -0.249 121.118 121.223 0.239 0.000 2.056 119 L HA -0.026 4.314 4.340 -0.000 0.000 0.207 119 L C -0.668 176.306 176.870 0.173 0.000 1.078 119 L CA 0.921 55.878 54.840 0.195 0.000 0.749 119 L CB -1.383 40.740 42.059 0.107 0.000 0.901 119 L HN 0.358 nan 8.230 nan 0.000 0.433 120 P HA -0.161 nan 4.420 nan 0.000 0.215 120 P C 1.590 178.971 177.300 0.134 0.000 1.157 120 P CA 1.582 64.785 63.100 0.171 0.000 0.874 120 P CB -0.136 31.640 31.700 0.128 0.000 0.790 121 T N -1.521 113.090 114.554 0.096 0.000 2.665 121 T HA -0.227 4.123 4.350 -0.000 0.000 0.268 121 T C 1.661 176.300 174.700 -0.101 0.000 1.035 121 T CA 1.370 63.465 62.100 -0.008 0.000 1.151 121 T CB -1.127 67.744 68.868 0.004 0.000 0.862 121 T HN 0.279 nan 8.240 nan 0.000 0.438 122 H N 1.072 120.110 119.070 -0.052 0.000 2.319 122 H HA 0.036 4.592 4.556 -0.000 0.000 0.299 122 H C 1.941 177.164 175.328 -0.175 0.000 1.092 122 H CA 1.195 57.182 56.048 -0.102 0.000 1.302 122 H CB 0.047 29.775 29.762 -0.056 0.000 1.373 122 H HN 0.235 nan 8.280 nan 0.000 0.497 123 R N 0.167 120.637 120.500 -0.050 0.000 2.449 123 R HA 0.090 4.430 4.340 -0.000 0.000 0.262 123 R C 0.702 176.728 176.300 -0.457 0.000 1.006 123 R CA 0.392 56.344 56.100 -0.247 0.000 1.104 123 R CB 0.440 30.621 30.300 -0.198 0.000 1.206 123 R HN 0.405 nan 8.270 nan 0.000 0.538 124 G N 1.001 109.596 108.800 -0.343 0.000 2.198 124 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.260 124 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.260 124 G C -0.459 174.224 174.900 -0.363 0.000 1.025 124 G CA 0.183 45.078 45.100 -0.342 0.000 0.769 124 G HN 0.318 nan 8.290 nan 0.000 0.507 125 Y N 0.197 120.456 120.300 -0.068 0.000 2.387 125 Y HA 0.556 5.106 4.550 -0.000 0.000 0.336 125 Y C 0.620 176.500 175.900 -0.033 0.000 1.067 125 Y CA -1.332 56.739 58.100 -0.048 0.000 1.114 125 Y CB 1.152 39.583 38.460 -0.050 0.000 1.208 125 Y HN 0.041 nan 8.280 nan 0.000 0.458 126 D N 0.042 120.530 120.400 0.147 0.000 2.344 126 D HA 0.127 4.767 4.640 -0.000 0.000 0.244 126 D C 0.692 177.036 176.300 0.073 0.000 1.134 126 D CA 0.057 54.102 54.000 0.076 0.000 0.930 126 D CB 1.459 42.287 40.800 0.046 0.000 1.175 126 D HN 0.577 nan 8.370 nan 0.000 0.437 127 S N 0.334 116.064 115.700 0.049 0.000 2.423 127 S HA -0.164 4.306 4.470 -0.000 0.000 0.231 127 S C 1.087 175.701 174.600 0.024 0.000 1.014 127 S CA 0.843 59.066 58.200 0.038 0.000 0.965 127 S CB -0.113 63.108 63.200 0.035 0.000 0.785 127 S HN 0.577 nan 8.310 nan 0.000 0.495 128 D N 1.056 121.469 120.400 0.022 0.000 2.349 128 D HA -0.011 4.629 4.640 -0.000 0.000 0.224 128 D C 0.316 176.621 176.300 0.008 0.000 1.029 128 D CA -0.099 53.909 54.000 0.013 0.000 0.879 128 D CB -0.712 40.097 40.800 0.014 0.000 0.906 128 D HN 0.114 nan 8.370 nan 0.000 0.528 129 N N 1.708 120.415 118.700 0.011 0.000 2.440 129 N HA 0.000 4.740 4.740 -0.000 0.000 0.265 129 N C -1.501 173.985 175.510 -0.040 0.000 1.239 129 N CA -1.112 51.935 53.050 -0.005 0.000 0.909 129 N CB 1.493 39.981 38.487 0.002 0.000 1.066 129 N HN -0.091 nan 8.380 nan 0.000 0.474 130 P HA -0.117 nan 4.420 nan 0.000 0.218 130 P C 1.175 178.433 177.300 -0.070 0.000 1.148 130 P CA 0.927 64.002 63.100 -0.041 0.000 0.822 130 P CB 0.225 31.909 31.700 -0.026 0.000 0.784 131 R N 0.539 120.969 120.500 -0.117 0.000 2.241 131 R HA -0.051 4.289 4.340 -0.000 0.000 0.224 131 R C 1.219 177.413 176.300 -0.177 0.000 1.101 131 R CA 1.399 57.404 56.100 -0.158 0.000 0.995 131 R CB -0.150 29.998 30.300 -0.255 0.000 0.870 131 R HN 0.199 nan 8.270 nan 0.000 0.463 132 V N -4.759 115.051 119.914 -0.173 0.000 3.380 132 V HA 0.386 4.506 4.120 -0.000 0.000 0.307 132 V C 1.604 177.667 176.094 -0.052 0.000 1.434 132 V CA 0.446 62.666 62.300 -0.133 0.000 1.075 132 V CB 0.442 32.161 31.823 -0.173 0.000 0.954 132 V HN 0.110 nan 8.190 nan 0.000 0.444 133 A N 1.997 124.792 122.820 -0.041 0.000 1.927 133 A HA -0.067 4.253 4.320 -0.000 0.000 0.220 133 A C 2.195 179.776 177.584 -0.006 0.000 1.185 133 A CA 2.359 54.386 52.037 -0.018 0.000 0.639 133 A CB -1.217 17.773 19.000 -0.017 0.000 0.820 133 A HN 0.906 nan 8.150 nan 0.000 0.451 134 G N -1.759 107.037 108.800 -0.006 0.000 2.744 134 G HA2 0.028 3.988 3.960 -0.000 0.000 0.211 134 G HA3 0.028 3.988 3.960 -0.000 0.000 0.211 134 G C 0.748 175.658 174.900 0.016 0.000 1.143 134 G CA 0.918 46.018 45.100 0.000 0.000 0.788 134 G HN 0.493 nan 8.290 nan 0.000 0.534 135 D N -0.227 120.188 120.400 0.025 0.000 2.433 135 D HA 0.101 4.741 4.640 -0.000 0.000 0.211 135 D C 0.557 176.890 176.300 0.056 0.000 1.114 135 D CA -0.059 53.970 54.000 0.049 0.000 0.837 135 D CB 1.243 42.078 40.800 0.058 0.000 0.984 135 D HN -0.003 nan 8.370 nan 0.000 0.505 136 V N 1.077 121.015 119.914 0.041 0.000 2.485 136 V HA 0.285 4.405 4.120 -0.000 0.000 0.287 136 V C 1.591 177.715 176.094 0.050 0.000 1.022 136 V CA 0.888 63.216 62.300 0.046 0.000 1.067 136 V CB 0.563 32.406 31.823 0.033 0.000 0.967 136 V HN 0.467 nan 8.190 nan 0.000 0.479 137 G N 4.955 113.794 108.800 0.064 0.000 2.166 137 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.260 137 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.260 137 G C 0.669 175.620 174.900 0.085 0.000 0.986 137 G CA 0.580 45.717 45.100 0.062 0.000 0.683 137 G HN 0.495 nan 8.290 nan 0.000 0.527 138 M N -0.568 119.086 119.600 0.091 0.000 2.357 138 M HA 0.346 4.826 4.480 -0.000 0.000 0.266 138 M C 2.600 178.971 176.300 0.118 0.000 1.095 138 M CA 1.772 57.129 55.300 0.094 0.000 1.156 138 M CB -0.767 31.881 32.600 0.080 0.000 1.365 138 M HN 0.689 nan 8.290 nan 0.000 0.447 139 A N -0.516 122.385 122.820 0.134 0.000 2.390 139 A HA 0.568 4.888 4.320 -0.000 0.000 0.232 139 A C 1.042 178.715 177.584 0.149 0.000 1.233 139 A CA 0.687 52.815 52.037 0.152 0.000 0.907 139 A CB 0.063 19.163 19.000 0.167 0.000 0.967 139 A HN 0.492 nan 8.150 nan 0.000 0.512 140 G N -1.713 107.169 108.800 0.138 0.000 2.325 140 G HA2 0.382 4.342 3.960 -0.000 0.000 0.295 140 G HA3 0.382 4.342 3.960 -0.000 0.000 0.295 140 G C -1.060 173.872 174.900 0.053 0.000 1.274 140 G CA 0.082 45.238 45.100 0.093 0.000 0.857 140 G HN 0.601 nan 8.290 nan 0.000 0.499 141 V N 0.769 120.665 119.914 -0.030 0.000 2.655 141 V HA 0.513 4.633 4.120 -0.000 0.000 0.300 141 V C 0.953 177.082 176.094 0.059 0.000 1.044 141 V CA 0.446 62.701 62.300 -0.076 0.000 1.095 141 V CB 0.877 32.588 31.823 -0.187 0.000 0.952 141 V HN 1.779 nan 8.190 nan 0.000 0.485 142 A N 8.573 131.411 122.820 0.029 0.000 2.310 142 A HA 0.629 4.949 4.320 -0.000 0.000 0.300 142 A C -0.485 177.149 177.584 0.083 0.000 1.269 142 A CA -0.369 51.708 52.037 0.067 0.000 0.909 142 A CB -0.214 18.806 19.000 0.033 0.000 1.144 142 A HN 0.626 nan 8.150 nan 0.000 0.540 143 I N 2.970 123.615 120.570 0.124 0.000 2.447 143 I HA 0.329 4.498 4.170 -0.000 0.000 0.287 143 I C -0.440 175.711 176.117 0.057 0.000 1.023 143 I CA -0.298 61.072 61.300 0.118 0.000 1.083 143 I CB 1.713 39.828 38.000 0.192 0.000 1.245 143 I HN 0.659 nan 8.210 nan 0.000 0.434 144 D N 2.709 123.133 120.400 0.040 0.000 2.457 144 D HA 0.100 4.740 4.640 -0.000 0.000 0.254 144 D C 0.710 176.998 176.300 -0.019 0.000 1.097 144 D CA 0.669 54.675 54.000 0.009 0.000 0.870 144 D CB 1.422 42.228 40.800 0.010 0.000 1.253 144 D HN 0.603 nan 8.370 nan 0.000 0.500 145 S N -0.800 114.893 115.700 -0.012 0.000 2.724 145 S HA 0.176 4.646 4.470 -0.000 0.000 0.278 145 S C 0.579 175.170 174.600 -0.014 0.000 1.190 145 S CA -0.602 57.563 58.200 -0.057 0.000 0.860 145 S CB 0.820 63.920 63.200 -0.168 0.000 1.206 145 S HN -0.169 nan 8.310 nan 0.000 0.507 146 I N 1.166 121.713 120.570 -0.038 0.000 2.315 146 I HA -0.085 4.085 4.170 -0.000 0.000 0.251 146 I C 1.817 178.029 176.117 0.157 0.000 1.125 146 I CA 1.727 63.051 61.300 0.039 0.000 1.392 146 I CB -0.838 37.169 38.000 0.012 0.000 1.065 146 I HN 0.679 nan 8.210 nan 0.000 0.424 147 Y N 1.076 121.387 120.300 0.019 0.000 2.128 147 Y HA -0.268 4.282 4.550 -0.000 0.000 0.284 147 Y C 2.558 178.468 175.900 0.017 0.000 1.154 147 Y CA 1.474 59.583 58.100 0.014 0.000 1.149 147 Y CB -1.537 36.926 38.460 0.006 0.000 0.976 147 Y HN 0.319 nan 8.280 nan 0.000 0.505 148 D N -0.820 119.692 120.400 0.187 0.000 2.117 148 D HA -0.157 4.483 4.640 -0.000 0.000 0.198 148 D C 2.237 178.597 176.300 0.100 0.000 0.982 148 D CA 1.056 55.120 54.000 0.106 0.000 0.828 148 D CB -0.177 40.677 40.800 0.090 0.000 0.967 148 D HN 0.237 nan 8.370 nan 0.000 0.464 149 M N 0.460 120.148 119.600 0.147 0.000 2.229 149 M HA -0.053 4.427 4.480 -0.000 0.000 0.264 149 M C 2.179 178.611 176.300 0.221 0.000 1.063 149 M CA 0.881 56.310 55.300 0.216 0.000 1.114 149 M CB -0.633 32.118 32.600 0.250 0.000 1.387 149 M HN -0.033 nan 8.290 nan 0.000 0.420 150 R N 0.137 120.733 120.500 0.161 0.000 2.081 150 R HA -0.144 4.196 4.340 -0.000 0.000 0.235 150 R C 2.046 178.398 176.300 0.087 0.000 1.131 150 R CA 1.455 57.634 56.100 0.131 0.000 0.960 150 R CB -0.045 30.317 30.300 0.104 0.000 0.856 150 R HN 0.473 nan 8.270 nan 0.000 0.436 151 E N 0.268 120.493 120.200 0.041 0.000 2.072 151 E HA -0.209 4.141 4.350 -0.000 0.000 0.191 151 E C 1.917 178.469 176.600 -0.081 0.000 0.985 151 E CA 0.856 57.245 56.400 -0.018 0.000 0.801 151 E CB -0.084 29.594 29.700 -0.038 0.000 0.750 151 E HN 0.106 nan 8.360 nan 0.000 0.452 152 L N 0.015 121.158 121.223 -0.134 0.000 2.013 152 L HA -0.176 4.164 4.340 -0.000 0.000 0.212 152 L C 1.306 177.874 176.870 -0.504 0.000 1.073 152 L CA 1.749 56.369 54.840 -0.367 0.000 0.753 152 L CB -0.155 41.621 42.059 -0.472 0.000 0.890 152 L HN 0.047 nan 8.230 nan 0.000 0.432 153 F N -0.107 119.908 119.950 0.109 0.000 2.668 153 F HA 0.445 4.972 4.527 -0.000 0.000 0.297 153 F C 1.032 176.869 175.800 0.061 0.000 1.124 153 F CA -0.257 57.809 58.000 0.110 0.000 1.353 153 F CB -0.996 38.066 39.000 0.104 0.000 0.992 153 F HN -0.002 nan 8.300 nan 0.000 0.524 154 A N 0.145 123.027 122.820 0.104 0.000 2.454 154 A HA 0.487 4.807 4.320 -0.000 0.000 0.260 154 A C 1.451 179.078 177.584 0.072 0.000 1.106 154 A CA 0.592 52.673 52.037 0.073 0.000 0.780 154 A CB -0.496 18.518 19.000 0.023 0.000 1.044 154 A HN 0.933 nan 8.150 nan 0.000 0.498 155 G N 1.463 110.308 108.800 0.075 0.000 2.157 155 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.248 155 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.248 155 G C -0.032 174.922 174.900 0.090 0.000 0.979 155 G CA 0.367 45.507 45.100 0.066 0.000 0.650 155 G HN 0.904 nan 8.290 nan 0.000 0.529 156 I N 1.741 122.393 120.570 0.137 0.000 2.466 156 I HA 0.306 4.476 4.170 -0.000 0.000 0.279 156 I C -2.406 173.792 176.117 0.135 0.000 1.033 156 I CA -2.390 59.010 61.300 0.166 0.000 1.123 156 I CB 2.202 40.377 38.000 0.293 0.000 1.237 156 I HN -0.196 nan 8.210 nan 0.000 0.460 157 P HA 0.122 nan 4.420 nan 0.000 0.264 157 P C 0.734 178.053 177.300 0.032 0.000 1.229 157 P CA 0.054 63.180 63.100 0.043 0.000 0.780 157 P CB 0.565 32.283 31.700 0.032 0.000 0.808 158 L N 2.230 123.446 121.223 -0.011 0.000 2.478 158 L HA -0.077 4.263 4.340 -0.000 0.000 0.223 158 L C 1.693 178.572 176.870 0.016 0.000 1.140 158 L CA 0.921 55.741 54.840 -0.033 0.000 0.842 158 L CB -0.517 41.416 42.059 -0.209 0.000 0.953 158 L HN 0.361 nan 8.230 nan 0.000 0.452 159 D N -0.482 119.925 120.400 0.011 0.000 2.234 159 D HA -0.191 4.449 4.640 -0.000 0.000 0.205 159 D C 1.615 177.934 176.300 0.031 0.000 0.962 159 D CA 0.826 54.840 54.000 0.025 0.000 0.855 159 D CB -0.090 40.717 40.800 0.012 0.000 0.951 159 D HN 0.391 nan 8.370 nan 0.000 0.500 160 Q N -1.109 118.708 119.800 0.027 0.000 2.282 160 Q HA 0.221 4.561 4.340 -0.000 0.000 0.206 160 Q C 0.237 176.252 176.000 0.025 0.000 0.878 160 Q CA -0.002 55.815 55.803 0.023 0.000 0.944 160 Q CB 0.861 29.610 28.738 0.018 0.000 1.100 160 Q HN 0.172 nan 8.270 nan 0.000 0.509 161 M N 0.141 119.765 119.600 0.040 0.000 2.530 161 M HA 0.311 4.791 4.480 -0.000 0.000 0.307 161 M C -0.686 175.641 176.300 0.044 0.000 1.161 161 M CA -0.460 54.863 55.300 0.039 0.000 0.903 161 M CB 2.244 34.881 32.600 0.063 0.000 1.711 161 M HN -0.181 nan 8.290 nan 0.000 0.451 162 S N 2.317 118.020 115.700 0.006 0.000 2.433 162 S HA 0.707 5.176 4.470 -0.000 0.000 0.310 162 S C -1.175 173.391 174.600 -0.056 0.000 1.097 162 S CA -0.505 57.676 58.200 -0.032 0.000 1.103 162 S CB 0.511 63.670 63.200 -0.067 0.000 0.992 162 S HN 0.461 nan 8.310 nan 0.000 0.469 163 V N 4.372 124.243 119.914 -0.072 0.000 2.444 163 V HA 0.551 4.671 4.120 -0.000 0.000 0.294 163 V C 0.260 176.230 176.094 -0.207 0.000 1.022 163 V CA -0.785 61.471 62.300 -0.073 0.000 0.850 163 V CB 1.538 33.375 31.823 0.024 0.000 0.992 163 V HN 0.905 nan 8.190 nan 0.000 0.426 164 S N 5.642 121.230 115.700 -0.186 0.000 2.578 164 S HA 0.803 5.273 4.470 -0.000 0.000 0.283 164 S C -0.581 173.987 174.600 -0.052 0.000 1.195 164 S CA -0.533 57.539 58.200 -0.213 0.000 1.050 164 S CB 0.805 63.834 63.200 -0.285 0.000 1.012 164 S HN 0.676 nan 8.310 nan 0.000 0.511 165 M N 3.216 122.831 119.600 0.026 0.000 2.165 165 M HA 0.224 4.704 4.480 -0.000 0.000 0.283 165 M C -0.967 175.508 176.300 0.291 0.000 0.978 165 M CA -0.338 55.111 55.300 0.249 0.000 0.948 165 M CB 2.336 35.133 32.600 0.328 0.000 1.599 165 M HN 0.535 nan 8.290 nan 0.000 0.450 166 T N 4.404 119.219 114.554 0.436 0.000 2.992 166 T HA 0.514 4.864 4.350 -0.000 0.000 0.299 166 T C -0.662 174.276 174.700 0.396 0.000 1.027 166 T CA -0.058 62.274 62.100 0.387 0.000 1.001 166 T CB -0.268 68.894 68.868 0.491 0.000 1.005 166 T HN 0.502 nan 8.240 nan 0.000 0.599 167 M N 3.861 123.555 119.600 0.156 0.000 2.265 167 M HA 0.398 4.878 4.480 -0.000 0.000 0.262 167 M C -0.665 175.614 176.300 -0.035 0.000 1.026 167 M CA -0.584 54.670 55.300 -0.076 0.000 0.987 167 M CB 1.121 33.515 32.600 -0.344 0.000 1.937 167 M HN 0.217 nan 8.290 nan 0.000 0.481 168 N N 1.916 120.612 118.700 -0.006 0.000 2.612 168 N HA 0.196 4.936 4.740 -0.000 0.000 0.224 168 N C 1.074 176.553 175.510 -0.052 0.000 1.051 168 N CA 0.817 53.850 53.050 -0.029 0.000 0.889 168 N CB 0.352 38.818 38.487 -0.035 0.000 1.449 168 N HN 0.766 nan 8.380 nan 0.000 0.442 169 G N 1.414 110.178 108.800 -0.060 0.000 2.496 169 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.214 169 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.214 169 G C 0.975 175.819 174.900 -0.093 0.000 1.234 169 G CA 0.915 45.952 45.100 -0.105 0.000 0.807 169 G HN 0.357 nan 8.290 nan 0.000 0.543 170 A N 0.233 122.971 122.820 -0.137 0.000 2.648 170 A HA 0.536 4.856 4.320 -0.000 0.000 0.269 170 A C 1.796 179.293 177.584 -0.146 0.000 1.392 170 A CA 0.260 52.219 52.037 -0.130 0.000 1.019 170 A CB -0.213 18.673 19.000 -0.190 0.000 1.009 170 A HN 0.374 nan 8.150 nan 0.000 0.565 171 V N -0.160 119.691 119.914 -0.106 0.000 2.332 171 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 171 V C 2.222 178.256 176.094 -0.101 0.000 1.055 171 V CA 2.457 64.691 62.300 -0.109 0.000 1.038 171 V CB -0.452 31.329 31.823 -0.071 0.000 0.651 171 V HN 0.732 nan 8.190 nan 0.000 0.450 172 L N 0.634 121.814 121.223 -0.071 0.000 1.970 172 L HA -0.098 4.241 4.340 -0.000 0.000 0.212 172 L C 0.298 177.106 176.870 -0.103 0.000 1.071 172 L CA 2.279 57.066 54.840 -0.089 0.000 0.751 172 L CB -2.192 39.827 42.059 -0.067 0.000 0.889 172 L HN 0.337 nan 8.230 nan 0.000 0.432 173 P HA -0.193 nan 4.420 nan 0.000 0.215 173 P C 1.860 179.099 177.300 -0.102 0.000 1.157 173 P CA 1.629 64.674 63.100 -0.092 0.000 0.868 173 P CB -0.099 31.550 31.700 -0.085 0.000 0.788 174 I N -0.962 119.518 120.570 -0.149 0.000 2.179 174 I HA -0.177 3.993 4.170 -0.000 0.000 0.242 174 I C 2.492 178.573 176.117 -0.059 0.000 1.088 174 I CA 1.088 62.292 61.300 -0.159 0.000 1.357 174 I CB -1.618 36.143 38.000 -0.398 0.000 1.051 174 I HN -0.053 nan 8.210 nan 0.000 0.409 175 L N 1.593 122.764 121.223 -0.086 0.000 2.012 175 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 175 L C 2.581 179.400 176.870 -0.086 0.000 1.073 175 L CA 2.274 57.061 54.840 -0.088 0.000 0.748 175 L CB -0.942 41.036 42.059 -0.135 0.000 0.891 175 L HN 0.205 nan 8.230 nan 0.000 0.431 176 A N -0.790 121.961 122.820 -0.115 0.000 1.933 176 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 176 A C 2.268 179.816 177.584 -0.061 0.000 1.175 176 A CA 1.834 53.800 52.037 -0.119 0.000 0.628 176 A CB -0.851 18.073 19.000 -0.127 0.000 0.814 176 A HN 0.513 nan 8.150 nan 0.000 0.444 177 L N -2.172 119.041 121.223 -0.017 0.000 2.131 177 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 177 L C 2.543 179.452 176.870 0.065 0.000 1.092 177 L CA 1.607 56.463 54.840 0.025 0.000 0.759 177 L CB -0.599 41.488 42.059 0.047 0.000 0.903 177 L HN 0.590 nan 8.230 nan 0.000 0.435 178 Y N 0.396 120.682 120.300 -0.023 0.000 2.145 178 Y HA -0.247 4.303 4.550 -0.000 0.000 0.286 178 Y C 2.429 178.246 175.900 -0.138 0.000 1.145 178 Y CA 1.707 59.769 58.100 -0.064 0.000 1.148 178 Y CB -0.296 38.100 38.460 -0.107 0.000 0.981 178 Y HN -0.164 nan 8.280 nan 0.000 0.507 179 V N -0.886 118.957 119.914 -0.119 0.000 2.332 179 V HA -0.331 3.789 4.120 -0.000 0.000 0.248 179 V C 2.312 178.312 176.094 -0.155 0.000 1.055 179 V CA 1.829 64.031 62.300 -0.163 0.000 1.038 179 V CB -0.927 30.828 31.823 -0.114 0.000 0.651 179 V HN 0.355 nan 8.190 nan 0.000 0.450 180 V N -0.336 119.512 119.914 -0.110 0.000 2.427 180 V HA -0.232 3.887 4.120 -0.000 0.000 0.248 180 V C 2.536 178.578 176.094 -0.086 0.000 1.051 180 V CA 2.418 64.671 62.300 -0.078 0.000 1.048 180 V CB -0.978 30.817 31.823 -0.046 0.000 0.666 180 V HN 0.605 nan 8.190 nan 0.000 0.456 181 T N 0.626 115.112 114.554 -0.114 0.000 2.684 181 T HA -0.189 4.161 4.350 -0.000 0.000 0.267 181 T C 2.115 176.712 174.700 -0.172 0.000 1.036 181 T CA 1.742 63.780 62.100 -0.103 0.000 1.148 181 T CB -0.461 68.367 68.868 -0.068 0.000 0.863 181 T HN 0.572 nan 8.240 nan 0.000 0.436 182 A N 1.506 124.137 122.820 -0.316 0.000 1.865 182 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 182 A C 2.239 179.738 177.584 -0.142 0.000 1.191 182 A CA 2.108 53.980 52.037 -0.275 0.000 0.623 182 A CB -0.790 18.009 19.000 -0.336 0.000 0.826 182 A HN 0.645 nan 8.150 nan 0.000 0.444 183 E N 0.198 120.328 120.200 -0.116 0.000 2.097 183 E HA -0.260 4.090 4.350 -0.000 0.000 0.196 183 E C 1.708 178.281 176.600 -0.045 0.000 1.000 183 E CA 1.553 57.914 56.400 -0.065 0.000 0.804 183 E CB -0.243 29.424 29.700 -0.055 0.000 0.740 183 E HN 0.769 nan 8.360 nan 0.000 0.454 184 E N -0.042 120.134 120.200 -0.040 0.000 2.401 184 E HA -0.179 4.171 4.350 -0.000 0.000 0.199 184 E C 1.895 178.485 176.600 -0.017 0.000 1.023 184 E CA 0.570 56.958 56.400 -0.020 0.000 0.859 184 E CB -0.010 29.687 29.700 -0.005 0.000 0.780 184 E HN 0.444 nan 8.360 nan 0.000 0.523 185 Q N -0.563 119.219 119.800 -0.030 0.000 2.408 185 Q HA 0.072 4.412 4.340 -0.000 0.000 0.205 185 Q C 0.874 176.861 176.000 -0.023 0.000 0.919 185 Q CA 0.451 56.240 55.803 -0.024 0.000 0.932 185 Q CB 0.972 29.687 28.738 -0.039 0.000 1.058 185 Q HN 0.394 nan 8.270 nan 0.000 0.517 186 G N 0.782 109.566 108.800 -0.028 0.000 2.130 186 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.216 186 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.216 186 G C -0.188 174.697 174.900 -0.025 0.000 0.999 186 G CA -0.087 45.000 45.100 -0.022 0.000 0.686 186 G HN 0.165 nan 8.290 nan 0.000 0.515 187 V N 0.344 120.234 119.914 -0.040 0.000 2.370 187 V HA 0.809 4.929 4.120 -0.000 0.000 0.283 187 V C 0.775 176.845 176.094 -0.041 0.000 1.023 187 V CA -0.088 62.188 62.300 -0.039 0.000 0.857 187 V CB 1.068 32.856 31.823 -0.058 0.000 0.985 187 V HN 0.797 nan 8.190 nan 0.000 0.443 188 K N 5.777 126.164 120.400 -0.021 0.000 2.102 188 K HA 0.495 4.815 4.320 -0.000 0.000 0.244 188 K C -1.877 174.717 176.600 -0.010 0.000 1.021 188 K CA -1.259 55.019 56.287 -0.015 0.000 0.913 188 K CB -0.498 31.999 32.500 -0.006 0.000 1.062 188 K HN 0.533 nan 8.250 nan 0.000 0.485 189 P HA -0.220 nan 4.420 nan 0.000 0.218 189 P C 0.974 178.292 177.300 0.030 0.000 1.148 189 P CA 1.426 64.533 63.100 0.011 0.000 0.822 189 P CB 0.344 32.067 31.700 0.039 0.000 0.784 190 E N 0.261 120.474 120.200 0.023 0.000 2.418 190 E HA -0.169 4.180 4.350 -0.000 0.000 0.197 190 E C 1.403 178.038 176.600 0.058 0.000 1.026 190 E CA 0.929 57.351 56.400 0.036 0.000 0.862 190 E CB -0.750 28.958 29.700 0.013 0.000 0.799 190 E HN 0.403 nan 8.360 nan 0.000 0.518 191 Q N 0.474 120.307 119.800 0.055 0.000 2.425 191 Q HA 0.225 4.565 4.340 -0.000 0.000 0.204 191 Q C 0.394 176.458 176.000 0.106 0.000 0.933 191 Q CA -0.017 55.823 55.803 0.062 0.000 0.939 191 Q CB 0.334 29.093 28.738 0.035 0.000 1.044 191 Q HN 0.262 nan 8.270 nan 0.000 0.513 192 L N 1.634 122.952 121.223 0.158 0.000 2.325 192 L HA 0.322 4.662 4.340 -0.000 0.000 0.284 192 L C -0.177 176.953 176.870 0.433 0.000 1.089 192 L CA -0.693 54.321 54.840 0.289 0.000 0.836 192 L CB 0.594 42.813 42.059 0.267 0.000 1.184 192 L HN -0.005 nan 8.230 nan 0.000 0.444 193 A N 3.193 126.205 122.820 0.320 0.000 2.304 193 A HA 0.928 5.248 4.320 -0.000 0.000 0.323 193 A C 0.258 177.828 177.584 -0.023 0.000 1.195 193 A CA 0.206 52.337 52.037 0.158 0.000 0.826 193 A CB 1.443 20.473 19.000 0.050 0.000 1.184 193 A HN 0.832 nan 8.150 nan 0.000 0.496 194 G N -0.047 108.458 108.800 -0.492 0.000 2.344 194 G HA2 0.523 4.483 3.960 -0.000 0.000 0.282 194 G HA3 0.523 4.483 3.960 -0.000 0.000 0.282 194 G C -0.989 172.891 174.900 -1.700 0.000 1.281 194 G CA 0.071 44.528 45.100 -1.071 0.000 0.877 194 G HN 1.109 nan 8.290 nan 0.000 0.494 195 T N -0.002 113.643 114.554 -1.514 0.000 2.993 195 T HA 0.576 4.926 4.350 -0.000 0.000 0.312 195 T C -1.308 173.172 174.700 -0.367 0.000 1.115 195 T CA -0.221 61.321 62.100 -0.930 0.000 1.027 195 T CB 1.966 70.532 68.868 -0.504 0.000 1.116 195 T HN 0.986 nan 8.240 nan 0.000 0.464 196 I N 2.296 122.838 120.570 -0.046 0.000 2.474 196 I HA 0.408 4.578 4.170 -0.000 0.000 0.294 196 I C 1.312 177.446 176.117 0.028 0.000 1.005 196 I CA -0.560 60.831 61.300 0.152 0.000 1.113 196 I CB 1.942 40.164 38.000 0.370 0.000 1.289 196 I HN 0.778 nan 8.210 nan 0.000 0.436 197 Q N 5.201 125.012 119.800 0.019 0.000 2.016 197 Q HA -0.190 4.150 4.340 -0.000 0.000 0.200 197 Q C 0.757 176.732 176.000 -0.041 0.000 0.978 197 Q CA 1.780 57.578 55.803 -0.008 0.000 0.833 197 Q CB -0.118 28.653 28.738 0.055 0.000 0.895 197 Q HN 0.824 nan 8.270 nan 0.000 0.427 198 N N 1.156 119.834 118.700 -0.036 0.000 2.714 198 N HA -0.197 4.543 4.740 -0.000 0.000 0.252 198 N C -1.615 173.801 175.510 -0.156 0.000 1.014 198 N CA 0.452 53.449 53.050 -0.087 0.000 0.735 198 N CB -0.652 37.790 38.487 -0.075 0.000 0.924 198 N HN 0.311 nan 8.380 nan 0.000 0.540 199 D N 0.932 121.270 120.400 -0.102 0.000 2.446 199 D HA 0.216 4.856 4.640 -0.000 0.000 0.251 199 D C 0.494 176.816 176.300 0.037 0.000 1.137 199 D CA -0.593 53.376 54.000 -0.052 0.000 0.890 199 D CB 0.768 41.557 40.800 -0.018 0.000 1.071 199 D HN 0.264 nan 8.370 nan 0.000 0.528 200 I N 3.681 124.322 120.570 0.118 0.000 2.852 200 I HA 0.036 4.205 4.170 -0.000 0.000 0.264 200 I C 1.990 178.167 176.117 0.100 0.000 1.179 200 I CA 0.447 61.769 61.300 0.037 0.000 1.480 200 I CB 0.174 38.211 38.000 0.062 0.000 1.111 200 I HN 0.459 nan 8.210 nan 0.000 0.441 201 L N 0.689 122.058 121.223 0.242 0.000 2.013 201 L HA -0.281 4.059 4.340 -0.000 0.000 0.212 201 L C 2.409 179.356 176.870 0.129 0.000 1.073 201 L CA 2.174 57.128 54.840 0.191 0.000 0.753 201 L CB -0.990 41.090 42.059 0.036 0.000 0.890 201 L HN 0.298 nan 8.230 nan 0.000 0.432 202 K N -0.688 119.763 120.400 0.085 0.000 2.288 202 K HA -0.114 4.206 4.320 -0.000 0.000 0.201 202 K C 1.702 178.285 176.600 -0.029 0.000 1.048 202 K CA 0.884 57.192 56.287 0.035 0.000 0.956 202 K CB -0.250 32.272 32.500 0.037 0.000 0.746 202 K HN 0.158 nan 8.250 nan 0.000 0.461 203 E N 0.712 120.851 120.200 -0.100 0.000 2.085 203 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 203 E C 1.787 178.348 176.600 -0.066 0.000 0.994 203 E CA 1.281 57.577 56.400 -0.174 0.000 0.801 203 E CB -0.350 29.159 29.700 -0.317 0.000 0.743 203 E HN 0.432 nan 8.360 nan 0.000 0.453 204 F N 0.393 120.432 119.950 0.148 0.000 2.163 204 F HA -0.034 4.493 4.527 -0.000 0.000 0.297 204 F C 2.574 178.426 175.800 0.086 0.000 1.094 204 F CA 0.797 58.853 58.000 0.094 0.000 1.290 204 F CB -0.517 38.378 39.000 -0.176 0.000 1.017 204 F HN -0.023 nan 8.300 nan 0.000 0.483 205 M N 0.084 119.797 119.600 0.188 0.000 2.064 205 M HA -0.129 4.351 4.480 -0.000 0.000 0.260 205 M C 1.808 178.157 176.300 0.082 0.000 1.073 205 M CA 2.433 57.789 55.300 0.094 0.000 1.124 205 M CB 0.011 32.631 32.600 0.034 0.000 1.326 205 M HN 0.108 nan 8.290 nan 0.000 0.410 206 V N -5.442 114.506 119.914 0.058 0.000 3.294 206 V HA 0.269 4.388 4.120 -0.000 0.000 0.255 206 V C 1.767 177.861 176.094 0.000 0.000 1.528 206 V CA -0.245 62.076 62.300 0.034 0.000 1.086 206 V CB -0.119 31.721 31.823 0.028 0.000 0.906 206 V HN 0.322 nan 8.190 nan 0.000 0.433 207 R N 0.935 121.410 120.500 -0.042 0.000 2.223 207 R HA 0.159 4.499 4.340 -0.000 0.000 0.198 207 R C 0.505 176.715 176.300 -0.151 0.000 0.984 207 R CA 0.845 56.875 56.100 -0.117 0.000 1.018 207 R CB -0.222 29.939 30.300 -0.230 0.000 0.945 207 R HN 0.709 nan 8.270 nan 0.000 0.479 208 N N 0.490 119.105 118.700 -0.141 0.000 2.776 208 N HA -0.139 4.601 4.740 -0.000 0.000 0.250 208 N C -0.132 175.116 175.510 -0.436 0.000 1.112 208 N CA 1.503 54.397 53.050 -0.260 0.000 0.733 208 N CB -1.757 36.674 38.487 -0.093 0.000 1.097 208 N HN 0.440 nan 8.380 nan 0.000 0.558 209 T N -3.196 111.090 114.554 -0.446 0.000 3.331 209 T HA 0.270 4.620 4.350 -0.000 0.000 0.282 209 T C 0.618 175.090 174.700 -0.380 0.000 1.010 209 T CA -0.749 61.122 62.100 -0.382 0.000 0.928 209 T CB -0.386 68.340 68.868 -0.238 0.000 1.154 209 T HN 0.264 nan 8.240 nan 0.000 0.516 210 Y N -0.067 120.069 120.300 -0.272 0.000 2.394 210 Y HA 0.600 5.150 4.550 -0.000 0.000 0.351 210 Y C 0.982 176.712 175.900 -0.284 0.000 1.272 210 Y CA -1.525 56.339 58.100 -0.394 0.000 1.508 210 Y CB 0.237 38.244 38.460 -0.756 0.000 1.369 210 Y HN 0.028 nan 8.280 nan 0.000 0.639 211 I N -1.833 118.678 120.570 -0.099 0.000 3.664 211 I HA 0.104 4.273 4.170 -0.000 0.000 0.251 211 I C -0.396 175.563 176.117 -0.264 0.000 1.134 211 I CA -0.533 60.541 61.300 -0.378 0.000 1.520 211 I CB 0.142 37.579 38.000 -0.938 0.000 1.638 211 I HN 0.449 nan 8.210 nan 0.000 0.431 212 Y N 1.871 122.272 120.300 0.168 0.000 2.374 212 Y HA 0.403 4.953 4.550 -0.000 0.000 0.322 212 Y C -2.280 173.728 175.900 0.181 0.000 1.275 212 Y CA -3.168 55.032 58.100 0.167 0.000 1.307 212 Y CB -0.961 37.563 38.460 0.106 0.000 1.282 212 Y HN -0.099 nan 8.280 nan 0.000 0.509 213 P HA -0.029 nan 4.420 nan 0.000 0.269 213 P C -1.996 175.239 177.300 -0.109 0.000 1.211 213 P CA -0.809 62.309 63.100 0.030 0.000 0.781 213 P CB 0.128 31.864 31.700 0.061 0.000 0.877 214 P HA -0.276 nan 4.420 nan 0.000 0.216 214 P C 1.571 178.723 177.300 -0.246 0.000 1.157 214 P CA 1.668 64.457 63.100 -0.518 0.000 0.880 214 P CB -0.226 30.981 31.700 -0.822 0.000 0.791 215 Q N -0.448 119.211 119.800 -0.236 0.000 2.016 215 Q HA -0.113 4.227 4.340 -0.000 0.000 0.200 215 Q C -0.795 175.056 176.000 -0.249 0.000 0.978 215 Q CA 2.473 58.156 55.803 -0.201 0.000 0.833 215 Q CB -2.010 26.628 28.738 -0.166 0.000 0.895 215 Q HN 0.201 nan 8.270 nan 0.000 0.427 216 P HA -0.004 nan 4.420 nan 0.000 0.217 216 P C 1.498 178.481 177.300 -0.528 0.000 1.151 216 P CA 1.288 63.945 63.100 -0.739 0.000 0.828 216 P CB -0.202 30.673 31.700 -1.375 0.000 0.788 217 S N -0.638 114.924 115.700 -0.230 0.000 2.368 217 S HA -0.104 4.366 4.470 -0.000 0.000 0.225 217 S C 1.915 176.483 174.600 -0.054 0.000 1.030 217 S CA 1.232 59.414 58.200 -0.030 0.000 0.999 217 S CB -0.733 62.566 63.200 0.164 0.000 0.844 217 S HN 0.070 nan 8.310 nan 0.000 0.459 218 M N 0.930 120.491 119.600 -0.065 0.000 2.175 218 M HA -0.032 4.448 4.480 -0.000 0.000 0.264 218 M C 2.203 178.431 176.300 -0.120 0.000 1.063 218 M CA 1.214 56.483 55.300 -0.053 0.000 1.119 218 M CB -1.123 31.454 32.600 -0.038 0.000 1.377 218 M HN 0.313 nan 8.290 nan 0.000 0.415 219 R N 0.878 121.277 120.500 -0.168 0.000 2.081 219 R HA -0.107 4.233 4.340 -0.000 0.000 0.235 219 R C 2.065 178.266 176.300 -0.164 0.000 1.131 219 R CA 1.393 57.393 56.100 -0.166 0.000 0.960 219 R CB -0.296 29.889 30.300 -0.192 0.000 0.856 219 R HN 0.295 nan 8.270 nan 0.000 0.436 220 I N 0.709 121.177 120.570 -0.170 0.000 2.208 220 I HA -0.308 3.862 4.170 -0.000 0.000 0.245 220 I C 2.262 178.260 176.117 -0.200 0.000 1.097 220 I CA 1.378 62.598 61.300 -0.132 0.000 1.363 220 I CB -0.208 37.742 38.000 -0.084 0.000 1.051 220 I HN 0.261 nan 8.210 nan 0.000 0.413 221 I N 0.463 120.877 120.570 -0.260 0.000 2.179 221 I HA -0.314 3.856 4.170 -0.000 0.000 0.242 221 I C 2.817 178.463 176.117 -0.785 0.000 1.088 221 I CA 1.795 62.801 61.300 -0.491 0.000 1.357 221 I CB -0.430 37.295 38.000 -0.458 0.000 1.051 221 I HN 0.321 nan 8.210 nan 0.000 0.409 222 S N 0.456 115.845 115.700 -0.519 0.000 2.382 222 S HA -0.205 4.265 4.470 -0.000 0.000 0.228 222 S C 1.798 176.266 174.600 -0.221 0.000 1.027 222 S CA 1.244 59.222 58.200 -0.370 0.000 0.991 222 S CB -0.482 62.622 63.200 -0.160 0.000 0.823 222 S HN 0.490 nan 8.310 nan 0.000 0.469 223 E N 0.699 120.799 120.200 -0.166 0.000 2.152 223 E HA 0.030 4.380 4.350 -0.000 0.000 0.192 223 E C 1.980 178.563 176.600 -0.030 0.000 0.983 223 E CA 1.076 57.433 56.400 -0.073 0.000 0.818 223 E CB -0.270 29.396 29.700 -0.057 0.000 0.758 223 E HN 0.611 nan 8.360 nan 0.000 0.467 224 I N 0.525 121.035 120.570 -0.101 0.000 2.286 224 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 224 I C 1.889 178.091 176.117 0.141 0.000 1.104 224 I CA 0.733 62.028 61.300 -0.009 0.000 1.397 224 I CB -0.154 37.801 38.000 -0.075 0.000 1.072 224 I HN 0.026 nan 8.210 nan 0.000 0.417 225 F N 1.244 121.183 119.950 -0.019 0.000 2.095 225 F HA -0.253 4.274 4.527 -0.000 0.000 0.298 225 F C 2.690 178.462 175.800 -0.046 0.000 1.104 225 F CA 1.101 59.067 58.000 -0.057 0.000 1.232 225 F CB -1.647 37.187 39.000 -0.275 0.000 0.987 225 F HN 0.043 nan 8.300 nan 0.000 0.475 226 A N -0.944 121.954 122.820 0.130 0.000 1.908 226 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 226 A C 2.204 179.854 177.584 0.110 0.000 1.181 226 A CA 1.692 53.778 52.037 0.081 0.000 0.627 226 A CB -1.544 17.484 19.000 0.048 0.000 0.818 226 A HN 0.466 nan 8.150 nan 0.000 0.445 227 Y N 1.535 121.851 120.300 0.027 0.000 2.163 227 Y HA -0.198 4.352 4.550 -0.000 0.000 0.288 227 Y C 2.915 178.838 175.900 0.039 0.000 1.136 227 Y CA 2.561 60.671 58.100 0.018 0.000 1.147 227 Y CB -0.465 37.989 38.460 -0.010 0.000 0.987 227 Y HN 0.443 nan 8.280 nan 0.000 0.509 228 T N -3.265 111.412 114.554 0.206 0.000 2.904 228 T HA -0.148 4.202 4.350 -0.000 0.000 0.267 228 T C 2.179 176.940 174.700 0.101 0.000 1.059 228 T CA 1.157 63.357 62.100 0.167 0.000 1.137 228 T CB -0.888 68.155 68.868 0.292 0.000 0.879 228 T HN 0.313 nan 8.240 nan 0.000 0.467 229 S N 1.369 117.137 115.700 0.114 0.000 2.383 229 S HA -0.010 4.460 4.470 -0.000 0.000 0.229 229 S C 2.307 176.918 174.600 0.018 0.000 1.030 229 S CA 1.332 59.586 58.200 0.089 0.000 1.002 229 S CB -0.820 62.452 63.200 0.120 0.000 0.829 229 S HN 0.757 nan 8.310 nan 0.000 0.467 230 A N 1.198 123.985 122.820 -0.054 0.000 1.903 230 A HA 0.169 4.489 4.320 -0.000 0.000 0.213 230 A C 1.917 179.408 177.584 -0.156 0.000 1.185 230 A CA 0.969 52.947 52.037 -0.099 0.000 0.628 230 A CB -0.225 18.699 19.000 -0.126 0.000 0.830 230 A HN 0.647 nan 8.150 nan 0.000 0.446 231 N N -1.772 116.760 118.700 -0.280 0.000 2.210 231 N HA 0.254 4.994 4.740 -0.000 0.000 0.203 231 N C -0.368 175.062 175.510 -0.134 0.000 1.175 231 N CA 0.280 53.156 53.050 -0.291 0.000 0.894 231 N CB 0.815 38.911 38.487 -0.652 0.000 1.041 231 N HN 0.358 nan 8.380 nan 0.000 0.506 232 M N 1.341 120.915 119.600 -0.044 0.000 2.073 232 M HA 0.232 4.712 4.480 -0.000 0.000 0.218 232 M C -2.177 174.212 176.300 0.147 0.000 0.949 232 M CA -1.279 54.070 55.300 0.082 0.000 0.722 232 M CB 2.594 35.267 32.600 0.121 0.000 1.762 232 M HN -0.216 nan 8.290 nan 0.000 0.348 233 P HA -0.036 nan 4.420 nan 0.000 0.229 233 P C 0.521 177.887 177.300 0.111 0.000 1.160 233 P CA 1.031 64.189 63.100 0.097 0.000 0.777 233 P CB 0.208 31.944 31.700 0.060 0.000 0.814 234 K N -1.991 118.493 120.400 0.139 0.000 2.393 234 K HA 0.031 4.351 4.320 -0.000 0.000 0.193 234 K C 0.572 177.262 176.600 0.151 0.000 1.026 234 K CA -0.143 56.217 56.287 0.122 0.000 1.064 234 K CB 0.104 32.679 32.500 0.125 0.000 0.833 234 K HN 0.192 nan 8.250 nan 0.000 0.521 235 W N 3.313 124.635 121.300 0.036 0.000 2.335 235 W HA 0.154 4.814 4.660 -0.000 0.000 0.306 235 W C -0.821 175.716 176.519 0.029 0.000 1.216 235 W CA -0.461 56.903 57.345 0.032 0.000 1.237 235 W CB 0.450 29.943 29.460 0.056 0.000 1.243 235 W HN -0.001 nan 8.180 nan 0.000 0.493 236 N N 3.516 121.946 118.700 -0.450 0.000 2.431 236 N HA -0.072 4.668 4.740 -0.000 0.000 0.265 236 N C 1.107 176.514 175.510 -0.172 0.000 1.184 236 N CA 0.404 53.292 53.050 -0.270 0.000 0.943 236 N CB 1.401 39.695 38.487 -0.321 0.000 1.080 236 N HN 0.392 nan 8.380 nan 0.000 0.477 237 S N 1.811 117.565 115.700 0.090 0.000 2.558 237 S HA 0.187 4.657 4.470 -0.000 0.000 0.217 237 S C 0.703 175.431 174.600 0.213 0.000 0.975 237 S CA 0.007 58.385 58.200 0.296 0.000 0.912 237 S CB 0.282 63.737 63.200 0.426 0.000 0.776 237 S HN 0.645 nan 8.310 nan 0.000 0.526 238 I N -0.356 120.247 120.570 0.055 0.000 2.882 238 I HA 0.394 4.564 4.170 -0.000 0.000 0.298 238 I C -1.742 174.268 176.117 -0.177 0.000 1.462 238 I CA -0.430 60.833 61.300 -0.061 0.000 1.000 238 I CB 2.014 39.970 38.000 -0.072 0.000 1.340 238 I HN -0.008 nan 8.210 nan 0.000 0.462 239 S N 7.053 122.641 115.700 -0.186 0.000 2.532 239 S HA 0.551 5.021 4.470 -0.000 0.000 0.256 239 S C -0.555 173.920 174.600 -0.207 0.000 1.298 239 S CA -0.567 57.516 58.200 -0.195 0.000 1.166 239 S CB -0.055 63.078 63.200 -0.112 0.000 1.022 239 S HN 0.386 nan 8.310 nan 0.000 0.480 240 I N 4.024 124.320 120.570 -0.457 0.000 2.576 240 I HA 0.114 4.284 4.170 -0.000 0.000 0.288 240 I C 0.433 176.363 176.117 -0.312 0.000 1.126 240 I CA 0.309 61.332 61.300 -0.462 0.000 1.362 240 I CB 0.363 37.850 38.000 -0.855 0.000 1.419 240 I HN 0.396 nan 8.210 nan 0.000 0.533 241 S N 4.176 119.837 115.700 -0.065 0.000 2.475 241 S HA 0.511 4.980 4.470 -0.000 0.000 0.298 241 S C 0.948 175.558 174.600 0.017 0.000 1.119 241 S CA -0.587 57.608 58.200 -0.008 0.000 1.085 241 S CB 1.879 65.209 63.200 0.216 0.000 1.028 241 S HN 0.818 nan 8.310 nan 0.000 0.489 242 G N 0.489 109.259 108.800 -0.050 0.000 2.748 242 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.204 242 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.204 242 G C 0.989 175.877 174.900 -0.020 0.000 1.095 242 G CA -0.082 45.086 45.100 0.113 0.000 0.775 242 G HN 0.673 nan 8.290 nan 0.000 0.531 243 Y N 2.438 122.448 120.300 -0.483 0.000 2.030 243 Y HA -0.359 4.191 4.550 -0.000 0.000 0.272 243 Y C 2.727 178.325 175.900 -0.504 0.000 1.185 243 Y CA 2.585 60.276 58.100 -0.680 0.000 1.120 243 Y CB -0.697 36.783 38.460 -1.634 0.000 0.955 243 Y HN 0.427 nan 8.280 nan 0.000 0.495 244 H N -0.845 118.017 119.070 -0.347 0.000 2.352 244 H HA -0.209 4.347 4.556 -0.000 0.000 0.299 244 H C 2.265 177.456 175.328 -0.228 0.000 1.097 244 H CA 2.161 58.033 56.048 -0.293 0.000 1.311 244 H CB -0.622 29.081 29.762 -0.098 0.000 1.377 244 H HN 0.395 nan 8.280 nan 0.000 0.504 245 M N 0.220 119.806 119.600 -0.023 0.000 2.108 245 M HA -0.241 4.239 4.480 -0.000 0.000 0.261 245 M C 2.452 178.682 176.300 -0.117 0.000 1.066 245 M CA 1.845 57.134 55.300 -0.019 0.000 1.107 245 M CB -0.312 32.328 32.600 0.066 0.000 1.356 245 M HN 0.337 nan 8.290 nan 0.000 0.406 246 Q N 0.556 120.254 119.800 -0.171 0.000 2.167 246 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 246 Q C 1.736 177.555 176.000 -0.302 0.000 0.970 246 Q CA 1.115 56.790 55.803 -0.213 0.000 0.855 246 Q CB 0.164 28.805 28.738 -0.161 0.000 0.911 246 Q HN 0.421 nan 8.270 nan 0.000 0.438 247 E N 0.013 119.977 120.200 -0.394 0.000 2.204 247 E HA -0.126 4.224 4.350 -0.000 0.000 0.194 247 E C 1.647 178.092 176.600 -0.258 0.000 0.989 247 E CA 0.993 57.198 56.400 -0.324 0.000 0.824 247 E CB -0.053 29.399 29.700 -0.414 0.000 0.756 247 E HN 0.466 nan 8.360 nan 0.000 0.477 248 A N -0.089 122.604 122.820 -0.211 0.000 2.067 248 A HA 0.232 4.552 4.320 -0.000 0.000 0.217 248 A C 1.783 179.229 177.584 -0.230 0.000 1.156 248 A CA 1.434 53.376 52.037 -0.159 0.000 0.683 248 A CB 0.155 19.107 19.000 -0.081 0.000 0.808 248 A HN 0.326 nan 8.150 nan 0.000 0.455 249 G N -2.757 105.866 108.800 -0.296 0.000 2.559 249 G HA2 0.296 4.255 3.960 -0.000 0.000 0.202 249 G HA3 0.296 4.255 3.960 -0.000 0.000 0.202 249 G C 0.339 175.092 174.900 -0.246 0.000 0.992 249 G CA 0.017 44.915 45.100 -0.336 0.000 0.764 249 G HN 1.238 nan 8.290 nan 0.000 0.525 250 A N 1.315 124.022 122.820 -0.188 0.000 2.498 250 A HA 0.597 4.917 4.320 -0.000 0.000 0.239 250 A C 1.120 178.596 177.584 -0.180 0.000 1.068 250 A CA 1.218 53.158 52.037 -0.162 0.000 0.766 250 A CB -0.009 18.915 19.000 -0.126 0.000 1.003 250 A HN 1.552 nan 8.150 nan 0.000 0.497 251 T N -0.324 114.121 114.554 -0.182 0.000 2.849 251 T HA 0.495 4.845 4.350 -0.000 0.000 0.284 251 T C 1.426 176.027 174.700 -0.165 0.000 1.004 251 T CA -0.109 61.893 62.100 -0.163 0.000 1.021 251 T CB 1.163 69.940 68.868 -0.150 0.000 1.013 251 T HN 1.248 nan 8.240 nan 0.000 0.527 252 A N 1.799 124.528 122.820 -0.151 0.000 1.917 252 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 252 A C 2.120 179.603 177.584 -0.170 0.000 1.182 252 A CA 2.037 53.975 52.037 -0.165 0.000 0.633 252 A CB -1.105 17.790 19.000 -0.175 0.000 0.819 252 A HN 1.022 nan 8.150 nan 0.000 0.448 253 D N -0.038 120.281 120.400 -0.135 0.000 2.144 253 D HA -0.162 4.478 4.640 -0.000 0.000 0.199 253 D C 1.749 177.967 176.300 -0.137 0.000 0.984 253 D CA 1.240 55.198 54.000 -0.070 0.000 0.834 253 D CB -0.499 40.332 40.800 0.051 0.000 0.955 253 D HN 0.367 nan 8.370 nan 0.000 0.465 254 I N 1.386 121.759 120.570 -0.328 0.000 2.286 254 I HA -0.135 4.035 4.170 -0.000 0.000 0.245 254 I C 2.555 178.382 176.117 -0.484 0.000 1.104 254 I CA 0.659 61.566 61.300 -0.655 0.000 1.397 254 I CB -1.016 36.592 38.000 -0.654 0.000 1.072 254 I HN 0.160 nan 8.210 nan 0.000 0.417 255 E N 0.974 121.044 120.200 -0.217 0.000 2.049 255 E HA -0.263 4.087 4.350 -0.000 0.000 0.198 255 E C 2.352 179.032 176.600 0.134 0.000 1.007 255 E CA 1.710 58.105 56.400 -0.008 0.000 0.809 255 E CB -0.030 29.674 29.700 0.006 0.000 0.749 255 E HN 0.360 nan 8.360 nan 0.000 0.450 256 M N 0.291 119.897 119.600 0.010 0.000 2.080 256 M HA -0.173 4.306 4.480 -0.000 0.000 0.260 256 M C 2.523 178.939 176.300 0.192 0.000 1.068 256 M CA 1.759 57.106 55.300 0.079 0.000 1.109 256 M CB -0.288 32.256 32.600 -0.092 0.000 1.342 256 M HN 0.225 nan 8.290 nan 0.000 0.405 257 A N -0.259 122.616 122.820 0.090 0.000 1.873 257 A HA -0.157 4.163 4.320 -0.000 0.000 0.215 257 A C 1.908 179.656 177.584 0.273 0.000 1.186 257 A CA 1.393 53.522 52.037 0.153 0.000 0.616 257 A CB -0.956 18.082 19.000 0.063 0.000 0.823 257 A HN 0.439 nan 8.150 nan 0.000 0.442 258 Y N 0.865 121.225 120.300 0.101 0.000 2.200 258 Y HA -0.118 4.432 4.550 -0.000 0.000 0.290 258 Y C 2.966 178.949 175.900 0.138 0.000 1.137 258 Y CA 1.226 59.378 58.100 0.086 0.000 1.163 258 Y CB -1.573 36.912 38.460 0.042 0.000 0.988 258 Y HN 0.300 nan 8.280 nan 0.000 0.518 259 T N 0.680 115.452 114.554 0.364 0.000 2.737 259 T HA -0.136 4.214 4.350 -0.000 0.000 0.265 259 T C 2.258 177.179 174.700 0.369 0.000 1.038 259 T CA 1.308 63.602 62.100 0.323 0.000 1.144 259 T CB -0.629 68.452 68.868 0.356 0.000 0.866 259 T HN 0.181 nan 8.240 nan 0.000 0.434 260 L N 0.695 122.174 121.223 0.425 0.000 2.056 260 L HA -0.015 4.325 4.340 -0.000 0.000 0.207 260 L C 3.003 180.143 176.870 0.449 0.000 1.078 260 L CA 1.145 56.273 54.840 0.480 0.000 0.749 260 L CB -0.588 41.742 42.059 0.453 0.000 0.901 260 L HN 0.234 nan 8.230 nan 0.000 0.433 261 A N -0.416 122.595 122.820 0.318 0.000 1.929 261 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 261 A C 1.894 179.575 177.584 0.162 0.000 1.176 261 A CA 1.648 53.820 52.037 0.224 0.000 0.628 261 A CB -0.437 18.659 19.000 0.161 0.000 0.816 261 A HN 0.313 nan 8.150 nan 0.000 0.444 262 D N 0.054 120.530 120.400 0.126 0.000 2.104 262 D HA -0.113 4.527 4.640 -0.000 0.000 0.194 262 D C 2.098 178.394 176.300 -0.007 0.000 0.994 262 D CA 1.615 55.587 54.000 -0.046 0.000 0.830 262 D CB -0.777 40.032 40.800 0.016 0.000 0.959 262 D HN 0.411 nan 8.370 nan 0.000 0.452 263 G N 0.583 109.557 108.800 0.291 0.000 2.440 263 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.218 263 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.218 263 G C 1.856 177.112 174.900 0.594 0.000 1.154 263 G CA 1.023 46.419 45.100 0.493 0.000 0.767 263 G HN 0.264 nan 8.290 nan 0.000 0.552 264 V N 1.232 121.453 119.914 0.511 0.000 2.332 264 V HA -0.181 3.939 4.120 -0.000 0.000 0.248 264 V C 2.538 178.776 176.094 0.241 0.000 1.055 264 V CA 2.233 64.756 62.300 0.372 0.000 1.038 264 V CB -0.477 31.551 31.823 0.341 0.000 0.651 264 V HN 0.250 nan 8.190 nan 0.000 0.450 265 D N -1.032 119.430 120.400 0.103 0.000 2.117 265 D HA -0.150 4.490 4.640 -0.000 0.000 0.197 265 D C 2.066 178.407 176.300 0.069 0.000 0.987 265 D CA 1.290 55.291 54.000 0.000 0.000 0.829 265 D CB -0.275 40.408 40.800 -0.195 0.000 0.961 265 D HN 0.523 nan 8.370 nan 0.000 0.460 266 Y N 0.544 120.989 120.300 0.241 0.000 2.242 266 Y HA -0.026 4.524 4.550 -0.000 0.000 0.291 266 Y C 2.342 178.485 175.900 0.405 0.000 1.137 266 Y CA 0.258 58.574 58.100 0.359 0.000 1.181 266 Y CB -0.645 38.060 38.460 0.408 0.000 0.989 266 Y HN 0.023 nan 8.280 nan 0.000 0.527 267 I N -0.255 120.545 120.570 0.384 0.000 2.252 267 I HA -0.296 3.874 4.170 -0.000 0.000 0.245 267 I C 2.333 178.552 176.117 0.170 0.000 1.102 267 I CA 1.254 62.669 61.300 0.192 0.000 1.385 267 I CB -0.358 37.381 38.000 -0.435 0.000 1.064 267 I HN 0.120 nan 8.210 nan 0.000 0.414 268 R N 0.842 121.424 120.500 0.136 0.000 2.127 268 R HA -0.147 4.193 4.340 -0.000 0.000 0.238 268 R C 2.410 178.815 176.300 0.174 0.000 1.134 268 R CA 1.367 57.581 56.100 0.191 0.000 0.975 268 R CB -0.522 29.905 30.300 0.212 0.000 0.865 268 R HN 0.380 nan 8.270 nan 0.000 0.447 269 A N 0.982 123.923 122.820 0.201 0.000 1.877 269 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 269 A C 2.429 180.089 177.584 0.128 0.000 1.186 269 A CA 1.788 53.922 52.037 0.161 0.000 0.620 269 A CB -1.074 18.037 19.000 0.186 0.000 0.822 269 A HN 0.456 nan 8.150 nan 0.000 0.443 270 G N -0.768 108.121 108.800 0.150 0.000 2.408 270 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.217 270 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.217 270 G C 1.440 176.259 174.900 -0.135 0.000 1.150 270 G CA 0.904 45.807 45.100 -0.327 0.000 0.776 270 G HN 0.644 nan 8.290 nan 0.000 0.542 271 E N 0.756 121.022 120.200 0.110 0.000 2.072 271 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 271 E C 2.867 179.521 176.600 0.090 0.000 0.985 271 E CA 1.214 57.702 56.400 0.148 0.000 0.801 271 E CB -0.146 29.674 29.700 0.201 0.000 0.750 271 E HN 0.546 nan 8.360 nan 0.000 0.452 272 S N 0.796 116.541 115.700 0.076 0.000 2.440 272 S HA -0.121 4.349 4.470 -0.000 0.000 0.238 272 S C 1.917 176.529 174.600 0.021 0.000 1.010 272 S CA 1.277 59.505 58.200 0.047 0.000 0.972 272 S CB -0.377 62.845 63.200 0.038 0.000 0.774 272 S HN 0.188 nan 8.310 nan 0.000 0.501 273 V N -2.859 117.056 119.914 0.002 0.000 3.444 273 V HA 0.748 4.868 4.120 -0.000 0.000 0.308 273 V C 1.396 177.493 176.094 0.004 0.000 1.371 273 V CA 0.022 62.318 62.300 -0.008 0.000 1.141 273 V CB -0.864 30.943 31.823 -0.026 0.000 1.037 273 V HN 0.738 nan 8.190 nan 0.000 0.433 274 G N 0.473 109.286 108.800 0.022 0.000 2.195 274 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.224 274 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.224 274 G C -0.093 174.838 174.900 0.052 0.000 0.990 274 G CA 0.039 45.161 45.100 0.037 0.000 0.639 274 G HN 0.517 nan 8.290 nan 0.000 0.514 275 L N 1.457 122.706 121.223 0.044 0.000 2.371 275 L HA 0.361 4.701 4.340 -0.000 0.000 0.272 275 L C 0.965 177.959 176.870 0.206 0.000 1.124 275 L CA -0.813 54.090 54.840 0.105 0.000 0.816 275 L CB 0.856 42.923 42.059 0.013 0.000 1.129 275 L HN 0.295 nan 8.230 nan 0.000 0.448 276 N N 1.332 120.152 118.700 0.200 0.000 2.467 276 N HA 0.000 4.740 4.740 -0.000 0.000 0.262 276 N C 0.838 176.486 175.510 0.231 0.000 1.234 276 N CA -0.139 53.022 53.050 0.184 0.000 0.952 276 N CB 1.766 40.324 38.487 0.118 0.000 1.158 276 N HN 0.466 nan 8.380 nan 0.000 0.463 277 V N 2.191 122.163 119.914 0.096 0.000 2.392 277 V HA -0.202 3.918 4.120 -0.000 0.000 0.249 277 V C 1.271 177.199 176.094 -0.277 0.000 1.059 277 V CA 1.992 64.175 62.300 -0.196 0.000 1.051 277 V CB -0.446 31.285 31.823 -0.154 0.000 0.658 277 V HN 0.664 nan 8.190 nan 0.000 0.455 278 D N -0.823 119.529 120.400 -0.080 0.000 2.348 278 D HA -0.135 4.505 4.640 -0.000 0.000 0.216 278 D C 2.073 178.372 176.300 -0.002 0.000 0.970 278 D CA 0.818 54.789 54.000 -0.049 0.000 0.889 278 D CB -0.066 40.738 40.800 0.007 0.000 0.912 278 D HN 0.627 nan 8.370 nan 0.000 0.524 279 Q N -0.699 119.149 119.800 0.080 0.000 2.435 279 Q HA -0.037 4.303 4.340 -0.000 0.000 0.207 279 Q C 1.117 177.243 176.000 0.210 0.000 0.956 279 Q CA 0.647 56.539 55.803 0.147 0.000 0.917 279 Q CB 0.146 29.003 28.738 0.197 0.000 0.997 279 Q HN 0.490 nan 8.270 nan 0.000 0.497 280 F N -5.106 114.809 119.950 -0.057 0.000 2.953 280 F HA 0.521 5.047 4.527 -0.000 0.000 0.382 280 F C 1.495 177.198 175.800 -0.161 0.000 0.965 280 F CA 0.081 58.008 58.000 -0.122 0.000 1.081 280 F CB -0.341 38.532 39.000 -0.211 0.000 1.132 280 F HN -0.153 nan 8.300 nan 0.000 0.567 281 A N 1.693 124.026 122.820 -0.812 0.000 1.933 281 A HA 0.080 4.399 4.320 -0.000 0.000 0.218 281 A C -0.380 177.112 177.584 -0.154 0.000 1.175 281 A CA 1.810 53.518 52.037 -0.548 0.000 0.628 281 A CB -2.002 16.695 19.000 -0.505 0.000 0.814 281 A HN 0.369 nan 8.150 nan 0.000 0.444 282 P HA -0.104 nan 4.420 nan 0.000 0.220 282 P C 0.993 178.301 177.300 0.013 0.000 1.148 282 P CA 0.817 63.915 63.100 -0.003 0.000 0.803 282 P CB 0.000 31.707 31.700 0.012 0.000 0.782 283 R N -0.718 119.784 120.500 0.003 0.000 2.356 283 R HA 0.225 4.565 4.340 -0.000 0.000 0.234 283 R C 0.412 176.699 176.300 -0.021 0.000 0.929 283 R CA -0.195 55.911 56.100 0.010 0.000 1.084 283 R CB -0.732 29.601 30.300 0.056 0.000 1.105 283 R HN 0.324 nan 8.270 nan 0.000 0.515 284 L N 1.449 122.648 121.223 -0.041 0.000 2.326 284 L HA 0.198 4.538 4.340 -0.000 0.000 0.278 284 L C 0.642 177.441 176.870 -0.118 0.000 1.092 284 L CA -0.182 54.601 54.840 -0.094 0.000 0.810 284 L CB 1.224 43.253 42.059 -0.050 0.000 1.153 284 L HN 0.032 nan 8.230 nan 0.000 0.439 285 S N 1.835 117.382 115.700 -0.255 0.000 2.595 285 S HA 0.744 5.214 4.470 -0.000 0.000 0.281 285 S C -0.872 173.468 174.600 -0.433 0.000 1.117 285 S CA -0.779 57.302 58.200 -0.197 0.000 0.873 285 S CB 1.793 64.908 63.200 -0.143 0.000 1.108 285 S HN 0.254 nan 8.310 nan 0.000 0.477 286 F N 0.887 120.667 119.950 -0.284 0.000 2.525 286 F HA 0.820 5.347 4.527 -0.000 0.000 0.346 286 F C -0.339 175.308 175.800 -0.254 0.000 1.072 286 F CA -1.083 56.668 58.000 -0.415 0.000 1.033 286 F CB 1.414 40.008 39.000 -0.677 0.000 1.324 286 F HN 0.649 nan 8.300 nan 0.000 0.491 287 F N 1.366 121.060 119.950 -0.428 0.000 2.787 287 F HA 0.359 4.886 4.527 -0.000 0.000 0.340 287 F C -2.079 173.520 175.800 -0.335 0.000 1.232 287 F CA -1.800 56.042 58.000 -0.265 0.000 1.051 287 F CB 0.456 39.410 39.000 -0.077 0.000 1.330 287 F HN 0.452 nan 8.300 nan 0.000 0.522 288 W N 3.909 125.398 121.300 0.315 0.000 2.578 288 W HA 0.714 5.374 4.660 -0.000 0.000 0.353 288 W C 0.461 177.014 176.519 0.057 0.000 1.088 288 W CA -1.236 56.157 57.345 0.080 0.000 1.235 288 W CB 1.943 31.430 29.460 0.046 0.000 1.362 288 W HN 0.873 nan 8.180 nan 0.000 0.592 289 G N 1.727 110.731 108.800 0.340 0.000 2.412 289 G HA2 0.649 4.609 3.960 -0.000 0.000 0.318 289 G HA3 0.649 4.609 3.960 -0.000 0.000 0.318 289 G C -1.242 173.784 174.900 0.211 0.000 1.146 289 G CA -0.622 44.682 45.100 0.339 0.000 0.882 289 G HN 0.312 nan 8.290 nan 0.000 0.501 290 I N 2.333 123.019 120.570 0.193 0.000 2.521 290 I HA 0.316 4.486 4.170 -0.000 0.000 0.277 290 I C 0.880 177.061 176.117 0.105 0.000 1.054 290 I CA -0.596 60.760 61.300 0.092 0.000 1.117 290 I CB 0.566 38.596 38.000 0.050 0.000 1.217 290 I HN 0.575 nan 8.210 nan 0.000 0.469 291 G N 5.205 114.055 108.800 0.082 0.000 2.543 291 G HA2 0.414 4.374 3.960 -0.000 0.000 0.267 291 G HA3 0.414 4.374 3.960 -0.000 0.000 0.267 291 G C 0.698 175.666 174.900 0.114 0.000 1.406 291 G CA -0.386 44.789 45.100 0.125 0.000 1.048 291 G HN 0.365 nan 8.290 nan 0.000 0.548 292 M N 0.345 120.034 119.600 0.148 0.000 2.556 292 M HA 0.125 4.605 4.480 -0.000 0.000 0.245 292 M C 0.848 177.246 176.300 0.163 0.000 1.128 292 M CA 0.030 55.418 55.300 0.147 0.000 1.069 292 M CB -0.705 31.987 32.600 0.152 0.000 1.469 292 M HN 0.381 nan 8.290 nan 0.000 0.494 293 N N 1.260 120.054 118.700 0.156 0.000 2.739 293 N HA -0.015 4.725 4.740 -0.000 0.000 0.266 293 N C 0.644 176.223 175.510 0.114 0.000 1.168 293 N CA -0.124 53.040 53.050 0.190 0.000 1.055 293 N CB -0.173 38.427 38.487 0.188 0.000 1.393 293 N HN 0.118 nan 8.380 nan 0.000 0.514 294 F N 2.783 122.695 119.950 -0.065 0.000 2.043 294 F HA -0.273 4.254 4.527 -0.000 0.000 0.297 294 F C 1.092 176.642 175.800 -0.417 0.000 1.118 294 F CA 1.878 59.709 58.000 -0.282 0.000 1.202 294 F CB -0.198 38.526 39.000 -0.460 0.000 0.965 294 F HN 0.352 nan 8.300 nan 0.000 0.482 295 F N -0.757 119.181 119.950 -0.020 0.000 2.325 295 F HA -0.106 4.421 4.527 -0.000 0.000 0.299 295 F C 2.258 177.815 175.800 -0.405 0.000 1.090 295 F CA 1.056 58.845 58.000 -0.351 0.000 1.392 295 F CB -0.801 37.966 39.000 -0.389 0.000 1.053 295 F HN 0.069 nan 8.300 nan 0.000 0.521 296 M N 0.463 120.011 119.600 -0.087 0.000 2.117 296 M HA -0.179 4.301 4.480 -0.000 0.000 0.262 296 M C 2.086 178.241 176.300 -0.241 0.000 1.065 296 M CA 1.784 56.989 55.300 -0.158 0.000 1.114 296 M CB -0.398 32.156 32.600 -0.077 0.000 1.361 296 M HN -0.048 nan 8.290 nan 0.000 0.408 297 E N -0.669 119.370 120.200 -0.269 0.000 2.106 297 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 297 E C 2.182 178.554 176.600 -0.380 0.000 0.984 297 E CA 1.529 57.745 56.400 -0.306 0.000 0.806 297 E CB -0.709 28.840 29.700 -0.252 0.000 0.750 297 E HN 0.429 nan 8.360 nan 0.000 0.458 298 V N 1.822 121.435 119.914 -0.503 0.000 2.343 298 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 298 V C 2.493 178.389 176.094 -0.331 0.000 1.051 298 V CA 1.908 63.937 62.300 -0.451 0.000 1.036 298 V CB -0.891 30.561 31.823 -0.617 0.000 0.654 298 V HN 0.250 nan 8.190 nan 0.000 0.451 299 A N -0.317 122.310 122.820 -0.322 0.000 1.898 299 A HA -0.240 4.080 4.320 -0.000 0.000 0.216 299 A C 2.343 179.751 177.584 -0.293 0.000 1.181 299 A CA 2.041 53.916 52.037 -0.269 0.000 0.620 299 A CB -0.489 18.352 19.000 -0.265 0.000 0.819 299 A HN 0.528 nan 8.150 nan 0.000 0.442 300 K N -0.721 119.478 120.400 -0.336 0.000 2.044 300 K HA -0.184 4.136 4.320 -0.000 0.000 0.210 300 K C 1.774 178.060 176.600 -0.524 0.000 1.049 300 K CA 1.679 57.706 56.287 -0.433 0.000 0.927 300 K CB -0.306 31.912 32.500 -0.469 0.000 0.713 300 K HN 0.298 nan 8.250 nan 0.000 0.443 301 L N 1.159 122.101 121.223 -0.469 0.000 2.017 301 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 301 L C 2.425 179.150 176.870 -0.243 0.000 1.073 301 L CA 1.693 56.307 54.840 -0.376 0.000 0.745 301 L CB -0.462 41.473 42.059 -0.207 0.000 0.894 301 L HN 0.156 nan 8.230 nan 0.000 0.432 302 R N -1.049 119.311 120.500 -0.235 0.000 2.090 302 R HA -0.002 4.338 4.340 -0.000 0.000 0.228 302 R C 2.258 178.385 176.300 -0.288 0.000 1.110 302 R CA 1.097 57.064 56.100 -0.221 0.000 0.973 302 R CB -0.571 29.602 30.300 -0.212 0.000 0.869 302 R HN 0.339 nan 8.270 nan 0.000 0.440 303 A N 1.391 124.023 122.820 -0.312 0.000 1.929 303 A HA 0.004 4.324 4.320 -0.000 0.000 0.216 303 A C 2.363 179.817 177.584 -0.216 0.000 1.176 303 A CA 1.354 53.204 52.037 -0.311 0.000 0.628 303 A CB -0.504 18.334 19.000 -0.271 0.000 0.816 303 A HN 0.357 nan 8.150 nan 0.000 0.444 304 A N 0.119 122.800 122.820 -0.232 0.000 1.902 304 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 304 A C 2.227 179.796 177.584 -0.026 0.000 1.181 304 A CA 1.531 53.493 52.037 -0.125 0.000 0.623 304 A CB -0.478 18.363 19.000 -0.265 0.000 0.818 304 A HN 0.549 nan 8.150 nan 0.000 0.443 305 R N -1.100 119.373 120.500 -0.045 0.000 2.083 305 R HA -0.112 4.228 4.340 -0.000 0.000 0.237 305 R C 2.297 178.641 176.300 0.074 0.000 1.137 305 R CA 1.848 57.964 56.100 0.028 0.000 0.951 305 R CB -0.406 29.909 30.300 0.026 0.000 0.851 305 R HN 0.542 nan 8.270 nan 0.000 0.434 306 M N 0.388 119.966 119.600 -0.035 0.000 2.175 306 M HA -0.150 4.329 4.480 -0.000 0.000 0.264 306 M C 2.232 178.523 176.300 -0.014 0.000 1.063 306 M CA 1.520 56.781 55.300 -0.065 0.000 1.119 306 M CB -0.193 32.269 32.600 -0.229 0.000 1.377 306 M HN 0.177 nan 8.290 nan 0.000 0.415 307 L N -1.346 119.892 121.223 0.024 0.000 2.093 307 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 307 L C 2.412 179.452 176.870 0.284 0.000 1.085 307 L CA 1.201 56.129 54.840 0.146 0.000 0.755 307 L CB -0.737 41.451 42.059 0.215 0.000 0.904 307 L HN 0.598 nan 8.230 nan 0.000 0.435 308 W N 1.202 122.536 121.300 0.056 0.000 2.358 308 W HA -0.252 4.408 4.660 -0.000 0.000 0.303 308 W C 2.424 179.017 176.519 0.122 0.000 1.208 308 W CA 1.541 58.928 57.345 0.070 0.000 1.274 308 W CB 0.085 29.487 29.460 -0.097 0.000 1.138 308 W HN 0.175 nan 8.180 nan 0.000 0.515 309 A N 0.669 123.558 122.820 0.116 0.000 1.877 309 A HA -0.258 4.062 4.320 -0.000 0.000 0.216 309 A C 1.989 179.569 177.584 -0.007 0.000 1.186 309 A CA 2.046 54.106 52.037 0.039 0.000 0.620 309 A CB -1.049 18.049 19.000 0.164 0.000 0.822 309 A HN 0.339 nan 8.150 nan 0.000 0.443 310 K N -0.462 119.951 120.400 0.021 0.000 2.044 310 K HA -0.150 4.170 4.320 -0.000 0.000 0.210 310 K C 1.869 178.556 176.600 0.144 0.000 1.049 310 K CA 1.795 58.114 56.287 0.052 0.000 0.927 310 K CB -0.333 32.117 32.500 -0.083 0.000 0.713 310 K HN 0.494 nan 8.250 nan 0.000 0.443 311 L N 0.038 121.363 121.223 0.170 0.000 2.109 311 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 311 L C 2.274 179.202 176.870 0.096 0.000 1.086 311 L CA 0.553 55.509 54.840 0.194 0.000 0.760 311 L CB -0.208 41.992 42.059 0.235 0.000 0.910 311 L HN 0.014 nan 8.230 nan 0.000 0.437 312 V N -1.109 118.699 119.914 -0.176 0.000 2.453 312 V HA -0.267 3.853 4.120 -0.000 0.000 0.247 312 V C 2.460 178.621 176.094 0.112 0.000 1.048 312 V CA 1.505 63.709 62.300 -0.160 0.000 1.049 312 V CB -0.752 30.762 31.823 -0.515 0.000 0.672 312 V HN 0.443 nan 8.190 nan 0.000 0.457 313 H N 1.078 120.133 119.070 -0.024 0.000 2.426 313 H HA -0.192 4.364 4.556 -0.000 0.000 0.298 313 H C 2.340 177.666 175.328 -0.003 0.000 1.107 313 H CA 1.925 57.973 56.048 -0.001 0.000 1.298 313 H CB -0.197 29.557 29.762 -0.013 0.000 1.377 313 H HN 0.538 nan 8.280 nan 0.000 0.519 314 Q N -1.160 118.629 119.800 -0.020 0.000 2.234 314 Q HA -0.149 4.191 4.340 -0.000 0.000 0.206 314 Q C 1.538 177.330 176.000 -0.347 0.000 0.980 314 Q CA 1.422 57.091 55.803 -0.223 0.000 0.869 314 Q CB -0.146 28.409 28.738 -0.305 0.000 0.912 314 Q HN 0.482 nan 8.270 nan 0.000 0.436 315 F N -0.205 119.730 119.950 -0.026 0.000 2.811 315 F HA 0.180 4.707 4.527 -0.000 0.000 0.301 315 F C 1.332 177.124 175.800 -0.013 0.000 1.151 315 F CA 0.463 58.453 58.000 -0.016 0.000 1.412 315 F CB 0.001 38.987 39.000 -0.022 0.000 1.113 315 F HN 0.048 nan 8.300 nan 0.000 0.579 316 G N 2.052 110.907 108.800 0.092 0.000 2.367 316 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.295 316 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.295 316 G C -2.312 172.648 174.900 0.099 0.000 1.019 316 G CA -0.711 44.429 45.100 0.067 0.000 1.224 316 G HN 0.176 nan 8.290 nan 0.000 0.510 317 P HA 0.268 nan 4.420 nan 0.000 0.271 317 P C 0.553 177.899 177.300 0.077 0.000 1.216 317 P CA -0.225 62.922 63.100 0.079 0.000 0.776 317 P CB 1.112 32.848 31.700 0.059 0.000 0.881 318 K N 0.578 121.012 120.400 0.056 0.000 2.352 318 K HA 0.092 4.412 4.320 -0.000 0.000 0.194 318 K C 0.562 177.192 176.600 0.049 0.000 1.038 318 K CA 0.349 56.667 56.287 0.053 0.000 1.023 318 K CB -0.167 32.359 32.500 0.044 0.000 0.840 318 K HN 0.388 nan 8.250 nan 0.000 0.519 319 N N 2.554 121.281 118.700 0.044 0.000 2.422 319 N HA 0.098 4.838 4.740 -0.000 0.000 0.266 319 N C -1.915 173.633 175.510 0.064 0.000 1.007 319 N CA -1.965 51.114 53.050 0.048 0.000 0.941 319 N CB 1.637 40.145 38.487 0.036 0.000 1.115 319 N HN -0.154 nan 8.380 nan 0.000 0.492 320 P HA -0.071 nan 4.420 nan 0.000 0.226 320 P C 0.532 177.960 177.300 0.213 0.000 1.153 320 P CA 0.972 64.159 63.100 0.144 0.000 0.777 320 P CB 0.532 32.315 31.700 0.138 0.000 0.794 321 K N -0.053 120.430 120.400 0.138 0.000 2.283 321 K HA -0.013 4.307 4.320 -0.000 0.000 0.202 321 K C 2.220 178.844 176.600 0.040 0.000 1.048 321 K CA 0.905 57.241 56.287 0.082 0.000 0.948 321 K CB -0.267 32.278 32.500 0.075 0.000 0.742 321 K HN 0.086 nan 8.250 nan 0.000 0.458 322 S N 1.340 117.057 115.700 0.029 0.000 2.387 322 S HA -0.129 4.341 4.470 -0.000 0.000 0.230 322 S C 1.670 176.267 174.600 -0.005 0.000 1.035 322 S CA 1.354 59.544 58.200 -0.017 0.000 1.014 322 S CB -0.091 63.074 63.200 -0.058 0.000 0.836 322 S HN 0.324 nan 8.310 nan 0.000 0.466 323 M N 1.681 121.301 119.600 0.034 0.000 2.618 323 M HA 0.084 4.564 4.480 -0.000 0.000 0.240 323 M C 0.344 176.681 176.300 0.061 0.000 1.123 323 M CA -0.008 55.313 55.300 0.036 0.000 1.060 323 M CB -0.210 32.492 32.600 0.171 0.000 1.535 323 M HN 0.188 nan 8.290 nan 0.000 0.507 324 S N 1.007 116.618 115.700 -0.150 0.000 2.480 324 S HA 0.492 4.962 4.470 -0.000 0.000 0.286 324 S C -0.536 174.036 174.600 -0.046 0.000 1.180 324 S CA -0.914 56.922 58.200 -0.607 0.000 1.075 324 S CB 1.682 64.370 63.200 -0.854 0.000 0.996 324 S HN 0.399 nan 8.310 nan 0.000 0.487 325 L N 4.121 125.312 121.223 -0.053 0.000 2.295 325 L HA 0.431 4.771 4.340 -0.000 0.000 0.288 325 L C -0.147 176.653 176.870 -0.117 0.000 1.079 325 L CA -0.544 54.232 54.840 -0.106 0.000 0.830 325 L CB 0.177 42.100 42.059 -0.227 0.000 1.200 325 L HN 0.736 nan 8.230 nan 0.000 0.438 326 R N 3.153 123.640 120.500 -0.022 0.000 2.346 326 R HA 0.496 4.836 4.340 -0.000 0.000 0.311 326 R C -0.548 175.791 176.300 0.065 0.000 0.983 326 R CA -0.440 55.652 56.100 -0.013 0.000 0.880 326 R CB 1.852 32.164 30.300 0.019 0.000 1.100 326 R HN 0.431 nan 8.270 nan 0.000 0.453 327 T N 1.039 115.638 114.554 0.075 0.000 2.912 327 T HA 0.196 4.546 4.350 -0.000 0.000 0.299 327 T C -1.411 173.365 174.700 0.128 0.000 1.052 327 T CA -0.707 61.446 62.100 0.088 0.000 0.996 327 T CB 0.923 69.846 68.868 0.091 0.000 1.070 327 T HN 0.616 nan 8.240 nan 0.000 0.465 328 H N 1.448 120.507 119.070 -0.017 0.000 2.505 328 H HA 0.789 5.345 4.556 -0.000 0.000 0.355 328 H C -0.517 174.860 175.328 0.081 0.000 1.179 328 H CA 0.106 56.116 56.048 -0.064 0.000 1.343 328 H CB 0.977 30.528 29.762 -0.352 0.000 1.501 328 H HN 0.505 nan 8.280 nan 0.000 0.569 329 S N 1.667 117.031 115.700 -0.560 0.000 2.564 329 S HA 0.325 4.795 4.470 -0.000 0.000 0.274 329 S C -1.434 172.884 174.600 -0.471 0.000 1.124 329 S CA -0.865 57.209 58.200 -0.210 0.000 0.869 329 S CB 2.035 65.205 63.200 -0.049 0.000 1.105 329 S HN 0.690 nan 8.310 nan 0.000 0.472 330 Q N 1.458 121.237 119.800 -0.034 0.000 2.305 330 Q HA 0.513 4.853 4.340 -0.000 0.000 0.271 330 Q C -0.578 175.502 176.000 0.133 0.000 1.046 330 Q CA -0.688 55.100 55.803 -0.025 0.000 0.798 330 Q CB 1.499 30.072 28.738 -0.274 0.000 1.286 330 Q HN 0.800 nan 8.270 nan 0.000 0.435 331 T N 0.357 114.999 114.554 0.147 0.000 2.856 331 T HA 0.124 4.474 4.350 -0.000 0.000 0.306 331 T C 0.429 175.307 174.700 0.298 0.000 1.062 331 T CA -0.497 61.708 62.100 0.175 0.000 1.083 331 T CB 1.240 70.179 68.868 0.118 0.000 0.984 331 T HN 0.460 nan 8.240 nan 0.000 0.542 332 S N 1.049 116.913 115.700 0.274 0.000 2.430 332 S HA 0.379 4.849 4.470 -0.000 0.000 0.282 332 S C 1.632 176.402 174.600 0.283 0.000 1.186 332 S CA -0.329 58.062 58.200 0.318 0.000 1.060 332 S CB -0.322 63.040 63.200 0.270 0.000 0.966 332 S HN 0.934 nan 8.310 nan 0.000 0.501 333 G N 4.405 113.404 108.800 0.332 0.000 2.418 333 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.217 333 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.217 333 G C 1.046 176.053 174.900 0.178 0.000 1.158 333 G CA 0.576 45.828 45.100 0.252 0.000 0.771 333 G HN 0.871 nan 8.290 nan 0.000 0.545 334 W N 2.627 123.968 121.300 0.068 0.000 2.321 334 W HA -0.231 4.429 4.660 -0.000 0.000 0.306 334 W C 2.902 179.445 176.519 0.041 0.000 1.217 334 W CA 2.647 60.013 57.345 0.035 0.000 1.257 334 W CB -0.323 29.136 29.460 -0.002 0.000 1.145 334 W HN 0.276 nan 8.180 nan 0.000 0.509 335 S N 0.121 115.759 115.700 -0.104 0.000 2.440 335 S HA -0.127 4.343 4.470 -0.000 0.000 0.238 335 S C 0.846 175.313 174.600 -0.222 0.000 1.010 335 S CA 0.845 58.912 58.200 -0.222 0.000 0.972 335 S CB -0.864 62.384 63.200 0.080 0.000 0.774 335 S HN 0.195 nan 8.310 nan 0.000 0.501 336 L N 2.307 123.442 121.223 -0.146 0.000 2.357 336 L HA 0.466 4.806 4.340 -0.000 0.000 0.273 336 L C 0.625 177.405 176.870 -0.150 0.000 1.080 336 L CA -0.598 54.181 54.840 -0.103 0.000 0.803 336 L CB 1.408 43.450 42.059 -0.027 0.000 1.174 336 L HN 0.259 nan 8.230 nan 0.000 0.443 337 T N -1.609 112.878 114.554 -0.112 0.000 2.950 337 T HA 0.570 4.920 4.350 -0.000 0.000 0.288 337 T C 0.573 175.237 174.700 -0.059 0.000 1.035 337 T CA -0.267 61.771 62.100 -0.103 0.000 1.028 337 T CB 2.018 70.835 68.868 -0.084 0.000 1.109 337 T HN 0.602 nan 8.240 nan 0.000 0.514 338 A N 0.370 123.164 122.820 -0.044 0.000 2.238 338 A HA 0.305 4.625 4.320 -0.000 0.000 0.210 338 A C 0.644 178.226 177.584 -0.004 0.000 1.179 338 A CA 0.106 52.131 52.037 -0.020 0.000 0.827 338 A CB -0.355 18.642 19.000 -0.006 0.000 0.856 338 A HN 0.752 nan 8.150 nan 0.000 0.488 339 Q N -0.214 119.586 119.800 -0.001 0.000 2.282 339 Q HA 0.458 4.798 4.340 -0.000 0.000 0.260 339 Q C -0.683 175.333 176.000 0.027 0.000 0.964 339 Q CA -0.437 55.377 55.803 0.018 0.000 0.880 339 Q CB 1.239 29.990 28.738 0.021 0.000 1.286 339 Q HN 0.264 nan 8.270 nan 0.000 0.445 340 D N 0.882 121.313 120.400 0.051 0.000 2.904 340 D HA -0.151 4.489 4.640 -0.000 0.000 0.231 340 D C 0.425 176.772 176.300 0.079 0.000 1.185 340 D CA 0.843 54.891 54.000 0.080 0.000 0.783 340 D CB -0.395 40.451 40.800 0.076 0.000 0.961 340 D HN 0.477 nan 8.370 nan 0.000 0.409 341 V N -0.112 119.847 119.914 0.075 0.000 2.970 341 V HA -0.143 3.977 4.120 -0.000 0.000 0.260 341 V C 1.931 177.966 176.094 -0.098 0.000 1.100 341 V CA 1.172 63.457 62.300 -0.025 0.000 1.122 341 V CB -0.868 30.895 31.823 -0.099 0.000 0.721 341 V HN 0.390 nan 8.190 nan 0.000 0.483 342 Y N 1.745 122.067 120.300 0.036 0.000 2.497 342 Y HA 0.054 4.604 4.550 -0.000 0.000 0.292 342 Y C 2.443 178.357 175.900 0.024 0.000 1.137 342 Y CA 1.174 59.296 58.100 0.038 0.000 1.285 342 Y CB -0.748 37.742 38.460 0.049 0.000 0.991 342 Y HN 0.335 nan 8.280 nan 0.000 0.556 343 N N 0.189 118.958 118.700 0.116 0.000 2.381 343 N HA -0.151 4.589 4.740 -0.000 0.000 0.182 343 N C 1.161 176.688 175.510 0.030 0.000 1.025 343 N CA 0.805 53.896 53.050 0.068 0.000 0.888 343 N CB -0.354 38.167 38.487 0.056 0.000 0.965 343 N HN 0.437 nan 8.380 nan 0.000 0.438 344 N N 0.798 119.495 118.700 -0.005 0.000 2.223 344 N HA -0.080 4.660 4.740 -0.000 0.000 0.185 344 N C 1.819 177.318 175.510 -0.019 0.000 1.016 344 N CA 0.461 53.497 53.050 -0.024 0.000 0.863 344 N CB -0.374 38.079 38.487 -0.057 0.000 0.983 344 N HN 0.076 nan 8.380 nan 0.000 0.429 345 V N 0.807 120.710 119.914 -0.019 0.000 2.287 345 V HA -0.188 3.932 4.120 -0.000 0.000 0.248 345 V C 2.446 178.546 176.094 0.009 0.000 1.053 345 V CA 1.301 63.595 62.300 -0.010 0.000 1.027 345 V CB -0.612 31.221 31.823 0.016 0.000 0.646 345 V HN 0.071 nan 8.190 nan 0.000 0.447 346 V N -0.163 119.765 119.914 0.023 0.000 2.358 346 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 346 V C 2.602 178.716 176.094 0.033 0.000 1.047 346 V CA 1.939 64.255 62.300 0.026 0.000 1.035 346 V CB -0.813 31.029 31.823 0.031 0.000 0.658 346 V HN 0.466 nan 8.190 nan 0.000 0.452 347 R N -0.022 120.497 120.500 0.031 0.000 2.083 347 R HA -0.167 4.173 4.340 -0.000 0.000 0.237 347 R C 2.399 178.730 176.300 0.051 0.000 1.137 347 R CA 2.080 58.204 56.100 0.040 0.000 0.951 347 R CB -0.914 29.402 30.300 0.027 0.000 0.851 347 R HN 0.485 nan 8.270 nan 0.000 0.434 348 T N 0.467 115.045 114.554 0.039 0.000 2.777 348 T HA -0.183 4.167 4.350 -0.000 0.000 0.266 348 T C 2.033 176.764 174.700 0.052 0.000 1.040 348 T CA 1.204 63.331 62.100 0.044 0.000 1.141 348 T CB -0.469 68.413 68.868 0.024 0.000 0.868 348 T HN 0.390 nan 8.240 nan 0.000 0.444 349 C N 1.717 121.049 119.300 0.052 0.000 2.393 349 C HA -0.113 4.347 4.460 -0.000 0.000 0.276 349 C C 2.505 177.555 174.990 0.100 0.000 1.215 349 C CA 0.515 59.582 59.018 0.081 0.000 1.743 349 C CB -1.375 26.405 27.740 0.067 0.000 2.044 349 C HN 0.448 nan 8.230 nan 0.000 0.464 350 I N 0.859 121.483 120.570 0.091 0.000 2.315 350 I HA -0.116 4.054 4.170 -0.000 0.000 0.248 350 I C 2.421 178.649 176.117 0.184 0.000 1.117 350 I CA 1.512 62.885 61.300 0.122 0.000 1.404 350 I CB -1.772 36.273 38.000 0.075 0.000 1.071 350 I HN 0.549 nan 8.210 nan 0.000 0.419 351 E N 1.243 121.514 120.200 0.119 0.000 2.077 351 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 351 E C 2.354 178.979 176.600 0.042 0.000 0.989 351 E CA 1.385 57.837 56.400 0.086 0.000 0.800 351 E CB -0.152 29.597 29.700 0.082 0.000 0.746 351 E HN 0.489 nan 8.360 nan 0.000 0.452 352 A N 0.894 123.734 122.820 0.033 0.000 1.969 352 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 352 A C 2.123 179.670 177.584 -0.062 0.000 1.169 352 A CA 1.202 53.217 52.037 -0.037 0.000 0.635 352 A CB -0.390 18.610 19.000 0.000 0.000 0.810 352 A HN 0.137 nan 8.150 nan 0.000 0.445 353 M N -0.624 119.023 119.600 0.077 0.000 2.117 353 M HA -0.135 4.344 4.480 -0.000 0.000 0.262 353 M C 2.536 178.934 176.300 0.163 0.000 1.065 353 M CA 1.444 56.850 55.300 0.176 0.000 1.114 353 M CB -0.343 32.441 32.600 0.306 0.000 1.361 353 M HN 0.476 nan 8.290 nan 0.000 0.408 354 A N 0.286 123.142 122.820 0.060 0.000 1.908 354 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 354 A C 2.330 179.756 177.584 -0.263 0.000 1.181 354 A CA 2.014 53.801 52.037 -0.416 0.000 0.627 354 A CB -1.039 17.673 19.000 -0.481 0.000 0.818 354 A HN 0.514 nan 8.150 nan 0.000 0.445 355 A N -0.338 122.387 122.820 -0.159 0.000 1.877 355 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 355 A C 2.431 179.943 177.584 -0.120 0.000 1.186 355 A CA 2.647 54.601 52.037 -0.138 0.000 0.620 355 A CB -1.359 17.541 19.000 -0.166 0.000 0.822 355 A HN 0.755 nan 8.150 nan 0.000 0.443 356 T N -2.657 111.771 114.554 -0.211 0.000 2.985 356 T HA -0.043 4.307 4.350 -0.000 0.000 0.266 356 T C 1.718 176.577 174.700 0.266 0.000 1.076 356 T CA 1.262 63.280 62.100 -0.138 0.000 1.135 356 T CB -0.237 68.208 68.868 -0.705 0.000 0.890 356 T HN 0.565 nan 8.240 nan 0.000 0.480 357 Q N 0.678 120.583 119.800 0.176 0.000 2.432 357 Q HA 0.219 4.559 4.340 -0.000 0.000 0.205 357 Q C 2.370 178.417 176.000 0.078 0.000 0.945 357 Q CA 0.600 56.551 55.803 0.246 0.000 0.924 357 Q CB -0.096 28.885 28.738 0.405 0.000 1.016 357 Q HN 0.702 nan 8.270 nan 0.000 0.503 358 G N -1.030 107.762 108.800 -0.012 0.000 2.712 358 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.212 358 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.212 358 G C -0.235 174.719 174.900 0.090 0.000 1.142 358 G CA -0.107 44.955 45.100 -0.062 0.000 0.789 358 G HN 0.552 nan 8.290 nan 0.000 0.535 359 H N -0.131 118.933 119.070 -0.009 0.000 2.889 359 H HA -0.153 4.403 4.556 -0.000 0.000 0.324 359 H C 0.430 175.799 175.328 0.067 0.000 1.274 359 H CA 0.168 56.194 56.048 -0.038 0.000 1.176 359 H CB -1.624 28.044 29.762 -0.156 0.000 1.479 359 H HN 0.342 nan 8.280 nan 0.000 0.438 360 T N -0.336 114.348 114.554 0.217 0.000 2.860 360 T HA 0.084 4.433 4.350 -0.000 0.000 0.299 360 T C 1.378 176.247 174.700 0.282 0.000 1.045 360 T CA 0.013 62.226 62.100 0.188 0.000 1.071 360 T CB 1.222 70.137 68.868 0.078 0.000 0.985 360 T HN 0.392 nan 8.240 nan 0.000 0.537 361 Q N 1.195 121.144 119.800 0.248 0.000 2.302 361 Q HA 0.237 4.576 4.340 -0.000 0.000 0.202 361 Q C 0.619 176.821 176.000 0.336 0.000 0.936 361 Q CA 0.389 56.381 55.803 0.315 0.000 0.886 361 Q CB 0.407 29.291 28.738 0.243 0.000 0.986 361 Q HN 0.745 nan 8.270 nan 0.000 0.487 362 S N -1.375 114.496 115.700 0.285 0.000 2.625 362 S HA 0.766 5.235 4.470 -0.000 0.000 0.271 362 S C -1.523 173.222 174.600 0.241 0.000 1.161 362 S CA -1.017 57.389 58.200 0.343 0.000 0.820 362 S CB 1.560 64.937 63.200 0.295 0.000 1.137 362 S HN 0.068 nan 8.310 nan 0.000 0.470 363 L N 0.815 122.201 121.223 0.271 0.000 2.545 363 L HA 0.671 5.011 4.340 -0.000 0.000 0.258 363 L C -1.663 175.310 176.870 0.172 0.000 0.942 363 L CA -0.176 54.669 54.840 0.009 0.000 0.855 363 L CB 2.070 44.083 42.059 -0.076 0.000 1.374 363 L HN 1.134 nan 8.230 nan 0.000 0.411 364 H N 1.143 120.181 119.070 -0.054 0.000 2.489 364 H HA 0.789 5.345 4.556 -0.000 0.000 0.343 364 H C -1.074 174.272 175.328 0.031 0.000 1.086 364 H CA 0.143 56.230 56.048 0.064 0.000 1.198 364 H CB 1.549 31.371 29.762 0.100 0.000 1.490 364 H HN 0.734 nan 8.280 nan 0.000 0.504 365 T N 3.063 117.363 114.554 -0.423 0.000 2.779 365 T HA 0.356 4.706 4.350 -0.000 0.000 0.280 365 T C 0.135 174.615 174.700 -0.367 0.000 0.987 365 T CA -1.238 60.704 62.100 -0.263 0.000 0.966 365 T CB 0.780 69.581 68.868 -0.112 0.000 0.933 365 T HN 0.558 nan 8.240 nan 0.000 0.442 366 N N 1.981 120.648 118.700 -0.055 0.000 2.288 366 N HA 0.287 5.027 4.740 -0.000 0.000 0.237 366 N C 0.025 175.545 175.510 0.017 0.000 1.311 366 N CA -0.282 52.824 53.050 0.092 0.000 0.909 366 N CB 0.451 39.049 38.487 0.186 0.000 1.167 366 N HN 0.640 nan 8.380 nan 0.000 0.476 367 S N -0.177 115.555 115.700 0.053 0.000 2.648 367 S HA 0.284 4.754 4.470 -0.000 0.000 0.305 367 S C 1.486 176.070 174.600 -0.026 0.000 1.094 367 S CA -0.745 57.451 58.200 -0.006 0.000 0.983 367 S CB 1.319 64.526 63.200 0.011 0.000 1.101 367 S HN 0.533 nan 8.310 nan 0.000 0.514 368 L N 0.583 121.748 121.223 -0.096 0.000 2.127 368 L HA -0.013 4.327 4.340 -0.000 0.000 0.211 368 L C 1.016 177.813 176.870 -0.121 0.000 1.089 368 L CA 1.670 56.420 54.840 -0.150 0.000 0.757 368 L CB -1.067 40.805 42.059 -0.311 0.000 0.899 368 L HN 0.577 nan 8.230 nan 0.000 0.434 369 D N -0.755 119.598 120.400 -0.078 0.000 2.352 369 D HA -0.052 4.588 4.640 -0.000 0.000 0.236 369 D C 1.631 177.927 176.300 -0.007 0.000 1.148 369 D CA 0.400 54.375 54.000 -0.041 0.000 0.844 369 D CB -0.118 40.667 40.800 -0.026 0.000 0.933 369 D HN 0.607 nan 8.370 nan 0.000 0.507 370 E N 1.298 121.505 120.200 0.012 0.000 2.130 370 E HA -0.193 4.157 4.350 -0.000 0.000 0.196 370 E C 1.735 178.358 176.600 0.037 0.000 0.998 370 E CA 1.615 58.046 56.400 0.051 0.000 0.806 370 E CB -0.359 29.384 29.700 0.073 0.000 0.738 370 E HN 0.302 nan 8.360 nan 0.000 0.459 371 A N -0.831 121.991 122.820 0.005 0.000 2.251 371 A HA 0.208 4.528 4.320 -0.000 0.000 0.209 371 A C 1.839 179.421 177.584 -0.003 0.000 1.187 371 A CA 0.389 52.423 52.037 -0.004 0.000 0.823 371 A CB -0.091 18.891 19.000 -0.031 0.000 0.846 371 A HN 0.344 nan 8.150 nan 0.000 0.486 372 I N -2.162 118.407 120.570 -0.001 0.000 3.565 372 I HA 0.423 4.593 4.170 -0.000 0.000 0.287 372 I C 0.902 177.022 176.117 0.004 0.000 1.193 372 I CA 0.950 62.248 61.300 -0.003 0.000 1.402 372 I CB 0.676 38.667 38.000 -0.015 0.000 1.284 372 I HN 0.264 nan 8.210 nan 0.000 0.454 373 A N -0.187 122.637 122.820 0.006 0.000 2.511 373 A HA 0.614 4.934 4.320 -0.000 0.000 0.293 373 A C -1.300 176.285 177.584 0.001 0.000 1.098 373 A CA -0.672 51.367 52.037 0.004 0.000 0.643 373 A CB 0.414 19.403 19.000 -0.019 0.000 1.302 373 A HN -0.002 nan 8.150 nan 0.000 0.446 374 L N 0.855 122.064 121.223 -0.023 0.000 2.473 374 L HA 0.309 4.649 4.340 -0.000 0.000 0.268 374 L C -2.007 174.811 176.870 -0.087 0.000 1.215 374 L CA -1.502 53.315 54.840 -0.040 0.000 0.823 374 L CB -0.059 41.952 42.059 -0.080 0.000 1.099 374 L HN 0.408 nan 8.230 nan 0.000 0.483 375 P HA 0.077 nan 4.420 nan 0.000 0.269 375 P C -0.383 176.844 177.300 -0.122 0.000 1.215 375 P CA -0.304 62.782 63.100 -0.024 0.000 0.780 375 P CB 0.571 32.326 31.700 0.092 0.000 0.898 376 T N -1.954 112.572 114.554 -0.047 0.000 2.852 376 T HA 0.233 4.583 4.350 -0.000 0.000 0.281 376 T C 0.856 175.580 174.700 0.040 0.000 0.993 376 T CA -0.361 61.707 62.100 -0.053 0.000 0.933 376 T CB 0.388 69.275 68.868 0.031 0.000 1.187 376 T HN 0.155 nan 8.240 nan 0.000 0.559 377 D N -0.498 119.956 120.400 0.090 0.000 2.117 377 D HA -0.015 4.625 4.640 -0.000 0.000 0.198 377 D C 1.513 177.926 176.300 0.188 0.000 0.982 377 D CA 0.891 55.009 54.000 0.197 0.000 0.828 377 D CB -0.401 40.504 40.800 0.175 0.000 0.967 377 D HN 0.523 nan 8.370 nan 0.000 0.464 378 F N 1.788 121.773 119.950 0.058 0.000 2.075 378 F HA -0.218 4.309 4.527 -0.000 0.000 0.297 378 F C 2.527 178.360 175.800 0.055 0.000 1.113 378 F CA 2.056 60.090 58.000 0.057 0.000 1.218 378 F CB -0.630 38.401 39.000 0.050 0.000 0.984 378 F HN -0.031 nan 8.300 nan 0.000 0.472 379 S N 0.803 116.408 115.700 -0.158 0.000 2.368 379 S HA -0.158 4.312 4.470 -0.000 0.000 0.225 379 S C 2.264 176.782 174.600 -0.135 0.000 1.030 379 S CA 1.129 59.201 58.200 -0.214 0.000 0.999 379 S CB -1.228 61.953 63.200 -0.031 0.000 0.844 379 S HN 0.503 nan 8.310 nan 0.000 0.459 380 A N 2.051 124.873 122.820 0.002 0.000 1.969 380 A HA 0.005 4.325 4.320 -0.000 0.000 0.218 380 A C 2.340 179.925 177.584 0.001 0.000 1.169 380 A CA 1.441 53.522 52.037 0.073 0.000 0.635 380 A CB -0.771 18.398 19.000 0.283 0.000 0.810 380 A HN 0.660 nan 8.150 nan 0.000 0.445 381 R N -0.312 120.166 120.500 -0.037 0.000 2.092 381 R HA -0.023 4.317 4.340 -0.000 0.000 0.231 381 R C 1.838 178.069 176.300 -0.115 0.000 1.119 381 R CA 1.508 57.573 56.100 -0.058 0.000 0.970 381 R CB -0.341 29.939 30.300 -0.034 0.000 0.864 381 R HN 0.530 nan 8.270 nan 0.000 0.440 382 I N 0.806 121.239 120.570 -0.229 0.000 2.252 382 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 382 I C 2.565 178.617 176.117 -0.107 0.000 1.102 382 I CA 1.175 62.358 61.300 -0.195 0.000 1.385 382 I CB -0.366 37.457 38.000 -0.295 0.000 1.064 382 I HN 0.283 nan 8.210 nan 0.000 0.414 383 A N 0.714 123.475 122.820 -0.100 0.000 1.917 383 A HA -0.280 4.040 4.320 -0.000 0.000 0.219 383 A C 2.449 180.009 177.584 -0.040 0.000 1.182 383 A CA 2.064 54.061 52.037 -0.066 0.000 0.633 383 A CB -0.660 18.295 19.000 -0.074 0.000 0.819 383 A HN 0.390 nan 8.150 nan 0.000 0.448 384 R N -0.475 120.008 120.500 -0.029 0.000 2.093 384 R HA -0.011 4.329 4.340 -0.000 0.000 0.224 384 R C 1.742 178.057 176.300 0.026 0.000 1.101 384 R CA 1.287 57.384 56.100 -0.005 0.000 0.979 384 R CB -0.348 29.942 30.300 -0.017 0.000 0.877 384 R HN 0.703 nan 8.270 nan 0.000 0.441 385 N N -0.692 118.016 118.700 0.015 0.000 2.381 385 N HA -0.092 4.648 4.740 -0.000 0.000 0.182 385 N C 1.056 176.629 175.510 0.105 0.000 1.025 385 N CA 1.283 54.363 53.050 0.049 0.000 0.888 385 N CB 0.125 38.620 38.487 0.012 0.000 0.965 385 N HN 0.187 nan 8.380 nan 0.000 0.438 386 T N 1.259 115.863 114.554 0.085 0.000 2.684 386 T HA -0.195 4.155 4.350 -0.000 0.000 0.267 386 T C 1.767 176.614 174.700 0.244 0.000 1.036 386 T CA 1.265 63.452 62.100 0.146 0.000 1.148 386 T CB -0.191 68.723 68.868 0.077 0.000 0.863 386 T HN 0.360 nan 8.240 nan 0.000 0.436 387 Q N 0.329 120.255 119.800 0.210 0.000 2.123 387 Q HA 0.085 4.425 4.340 -0.000 0.000 0.199 387 Q C 2.468 178.617 176.000 0.248 0.000 0.966 387 Q CA 0.913 56.910 55.803 0.323 0.000 0.845 387 Q CB -0.352 28.601 28.738 0.358 0.000 0.907 387 Q HN 0.459 nan 8.270 nan 0.000 0.439 388 L N -0.107 121.196 121.223 0.134 0.000 2.056 388 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 388 L C 2.344 179.277 176.870 0.105 0.000 1.078 388 L CA 0.896 55.767 54.840 0.053 0.000 0.749 388 L CB -0.462 41.619 42.059 0.037 0.000 0.901 388 L HN 0.167 nan 8.230 nan 0.000 0.433 389 F N 1.022 120.999 119.950 0.045 0.000 2.065 389 F HA -0.288 4.239 4.527 -0.000 0.000 0.298 389 F C 2.177 178.031 175.800 0.090 0.000 1.112 389 F CA 1.738 59.771 58.000 0.055 0.000 1.212 389 F CB -0.359 38.673 39.000 0.053 0.000 0.975 389 F HN -0.121 nan 8.300 nan 0.000 0.476 390 L N -0.112 121.114 121.223 0.006 0.000 2.042 390 L HA -0.261 4.079 4.340 -0.000 0.000 0.210 390 L C 2.587 179.504 176.870 0.078 0.000 1.076 390 L CA 1.674 56.530 54.840 0.026 0.000 0.749 390 L CB -0.963 41.283 42.059 0.311 0.000 0.893 390 L HN 0.287 nan 8.230 nan 0.000 0.432 391 Q N -0.437 119.374 119.800 0.018 0.000 2.050 391 Q HA -0.240 4.100 4.340 -0.000 0.000 0.202 391 Q C 2.249 178.158 176.000 -0.151 0.000 0.980 391 Q CA 1.611 57.293 55.803 -0.202 0.000 0.840 391 Q CB -0.079 28.397 28.738 -0.436 0.000 0.898 391 Q HN 0.585 nan 8.270 nan 0.000 0.424 392 Q N -0.257 119.458 119.800 -0.141 0.000 2.204 392 Q HA -0.037 4.303 4.340 -0.000 0.000 0.198 392 Q C 1.196 177.118 176.000 -0.130 0.000 0.946 392 Q CA 0.763 56.496 55.803 -0.116 0.000 0.859 392 Q CB 0.484 29.184 28.738 -0.063 0.000 0.946 392 Q HN 0.314 nan 8.270 nan 0.000 0.474 393 E N -0.534 119.519 120.200 -0.244 0.000 2.465 393 E HA 0.004 4.354 4.350 -0.000 0.000 0.209 393 E C 1.733 178.134 176.600 -0.331 0.000 0.951 393 E CA 0.494 56.741 56.400 -0.255 0.000 0.997 393 E CB 0.621 30.173 29.700 -0.247 0.000 1.025 393 E HN 0.197 nan 8.360 nan 0.000 0.500 394 S N -0.049 115.392 115.700 -0.431 0.000 2.406 394 S HA -0.016 4.454 4.470 -0.000 0.000 0.228 394 S C 1.839 176.380 174.600 -0.098 0.000 1.020 394 S CA 0.833 58.856 58.200 -0.294 0.000 0.965 394 S CB -0.175 62.893 63.200 -0.220 0.000 0.798 394 S HN 0.310 nan 8.310 nan 0.000 0.488 395 G N 0.999 109.765 108.800 -0.058 0.000 2.160 395 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.251 395 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.251 395 G C 0.665 175.586 174.900 0.036 0.000 1.008 395 G CA 0.923 46.018 45.100 -0.010 0.000 0.724 395 G HN 1.207 nan 8.290 nan 0.000 0.514 396 T N -2.786 111.815 114.554 0.079 0.000 3.107 396 T HA 0.234 4.583 4.350 -0.000 0.000 0.249 396 T C 2.125 176.985 174.700 0.266 0.000 1.096 396 T CA 1.626 63.818 62.100 0.154 0.000 1.012 396 T CB 0.038 69.018 68.868 0.186 0.000 0.977 396 T HN 0.889 nan 8.240 nan 0.000 0.527 397 T N 0.484 115.182 114.554 0.238 0.000 3.057 397 T HA 0.089 4.439 4.350 -0.000 0.000 0.254 397 T C 1.976 176.826 174.700 0.250 0.000 1.094 397 T CA -0.101 62.203 62.100 0.340 0.000 1.088 397 T CB -0.236 68.750 68.868 0.196 0.000 0.934 397 T HN 0.583 nan 8.240 nan 0.000 0.497 398 R N 1.243 121.832 120.500 0.149 0.000 2.096 398 R HA 0.147 4.487 4.340 -0.000 0.000 0.235 398 R C 0.464 176.830 176.300 0.109 0.000 1.127 398 R CA 0.537 56.703 56.100 0.108 0.000 0.968 398 R CB -0.823 29.514 30.300 0.061 0.000 0.861 398 R HN 0.281 nan 8.270 nan 0.000 0.440 399 V N 2.254 122.230 119.914 0.105 0.000 2.547 399 V HA 0.268 4.388 4.120 -0.000 0.000 0.299 399 V C 0.141 176.306 176.094 0.118 0.000 1.040 399 V CA -1.007 61.338 62.300 0.075 0.000 0.913 399 V CB 1.941 33.772 31.823 0.014 0.000 0.992 399 V HN 0.136 nan 8.190 nan 0.000 0.449 400 I N 4.052 124.681 120.570 0.099 0.000 2.421 400 I HA 0.150 4.320 4.170 -0.000 0.000 0.291 400 I C 0.401 176.525 176.117 0.011 0.000 1.089 400 I CA 0.316 61.703 61.300 0.144 0.000 1.354 400 I CB -0.166 37.891 38.000 0.096 0.000 1.413 400 I HN 0.780 nan 8.210 nan 0.000 0.513 401 D N 8.048 128.401 120.400 -0.078 0.000 3.278 401 D HA -0.130 4.510 4.640 -0.000 0.000 0.233 401 D C -1.544 174.670 176.300 -0.145 0.000 1.149 401 D CA -0.020 53.780 54.000 -0.333 0.000 0.957 401 D CB 0.303 41.042 40.800 -0.101 0.000 0.913 401 D HN 0.351 nan 8.370 nan 0.000 0.409 402 P HA -0.113 nan 4.420 nan 0.000 0.220 402 P C 1.361 178.509 177.300 -0.254 0.000 1.148 402 P CA 1.088 64.067 63.100 -0.201 0.000 0.803 402 P CB -0.173 31.341 31.700 -0.310 0.000 0.782 403 W N 0.419 121.732 121.300 0.022 0.000 2.905 403 W HA 0.171 4.831 4.660 -0.000 0.000 0.251 403 W C 1.166 177.724 176.519 0.065 0.000 1.305 403 W CA -0.006 57.384 57.345 0.074 0.000 1.465 403 W CB -0.667 28.857 29.460 0.106 0.000 1.122 403 W HN -0.150 nan 8.180 nan 0.000 0.659 404 S N 0.741 116.558 115.700 0.195 0.000 2.737 404 S HA 0.274 4.744 4.470 -0.000 0.000 0.315 404 S C 1.261 175.942 174.600 0.134 0.000 1.236 404 S CA 1.444 59.751 58.200 0.179 0.000 1.093 404 S CB -0.088 63.147 63.200 0.057 0.000 0.832 404 S HN 0.685 nan 8.310 nan 0.000 0.507 405 G N 3.208 112.113 108.800 0.174 0.000 2.397 405 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.211 405 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.211 405 G C 0.421 175.476 174.900 0.258 0.000 1.077 405 G CA 0.260 45.432 45.100 0.120 0.000 0.649 405 G HN 1.804 nan 8.290 nan 0.000 0.511 406 S N 1.636 117.504 115.700 0.279 0.000 2.810 406 S HA 0.365 4.835 4.470 -0.000 0.000 0.329 406 S C 1.871 176.633 174.600 0.271 0.000 1.231 406 S CA 0.939 59.322 58.200 0.305 0.000 1.042 406 S CB 0.890 64.331 63.200 0.401 0.000 0.756 406 S HN 1.881 nan 8.310 nan 0.000 0.504 407 A N 5.673 128.632 122.820 0.232 0.000 1.898 407 A HA -0.020 4.300 4.320 -0.000 0.000 0.216 407 A C 1.872 179.485 177.584 0.048 0.000 1.181 407 A CA 1.535 53.632 52.037 0.100 0.000 0.620 407 A CB -1.072 17.933 19.000 0.007 0.000 0.819 407 A HN 1.072 nan 8.150 nan 0.000 0.442 408 Y N 0.865 121.056 120.300 -0.182 0.000 2.114 408 Y HA -0.174 4.376 4.550 -0.000 0.000 0.284 408 Y C 2.424 178.086 175.900 -0.397 0.000 1.143 408 Y CA 1.702 59.429 58.100 -0.623 0.000 1.135 408 Y CB -0.733 37.407 38.460 -0.533 0.000 0.980 408 Y HN 0.069 nan 8.280 nan 0.000 0.499 409 V N 0.638 120.382 119.914 -0.283 0.000 2.358 409 V HA -0.218 3.902 4.120 -0.000 0.000 0.246 409 V C 2.394 178.443 176.094 -0.075 0.000 1.047 409 V CA 2.059 64.196 62.300 -0.271 0.000 1.035 409 V CB -0.537 31.237 31.823 -0.082 0.000 0.658 409 V HN 0.307 nan 8.190 nan 0.000 0.452 410 E N 0.011 120.267 120.200 0.093 0.000 2.085 410 E HA -0.250 4.100 4.350 -0.000 0.000 0.194 410 E C 2.193 178.937 176.600 0.240 0.000 0.994 410 E CA 1.440 57.999 56.400 0.264 0.000 0.801 410 E CB -0.202 29.698 29.700 0.335 0.000 0.743 410 E HN 0.627 nan 8.360 nan 0.000 0.453 411 E N 1.108 121.359 120.200 0.084 0.000 2.051 411 E HA -0.098 4.252 4.350 -0.000 0.000 0.192 411 E C 2.242 178.908 176.600 0.109 0.000 0.991 411 E CA 0.792 57.270 56.400 0.130 0.000 0.799 411 E CB -0.406 29.293 29.700 -0.003 0.000 0.748 411 E HN 0.189 nan 8.360 nan 0.000 0.449 412 L N 0.102 121.269 121.223 -0.093 0.000 2.042 412 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 412 L C 2.460 179.289 176.870 -0.069 0.000 1.076 412 L CA 1.764 56.523 54.840 -0.135 0.000 0.749 412 L CB -0.846 41.024 42.059 -0.316 0.000 0.893 412 L HN 0.225 nan 8.230 nan 0.000 0.432 413 T N -1.139 113.397 114.554 -0.031 0.000 2.622 413 T HA -0.289 4.061 4.350 -0.000 0.000 0.266 413 T C 1.466 176.180 174.700 0.023 0.000 1.047 413 T CA 1.729 63.783 62.100 -0.076 0.000 1.159 413 T CB -0.477 68.331 68.868 -0.099 0.000 0.863 413 T HN 0.525 nan 8.240 nan 0.000 0.422 414 W N 2.012 123.325 121.300 0.022 0.000 2.335 414 W HA -0.200 4.460 4.660 -0.000 0.000 0.311 414 W C 1.689 178.226 176.519 0.031 0.000 1.213 414 W CA 1.049 58.473 57.345 0.132 0.000 1.274 414 W CB -0.078 29.576 29.460 0.324 0.000 1.148 414 W HN 0.270 nan 8.180 nan 0.000 0.498 415 D N 0.762 121.187 120.400 0.042 0.000 2.123 415 D HA -0.203 4.437 4.640 -0.000 0.000 0.196 415 D C 2.219 178.428 176.300 -0.151 0.000 0.992 415 D CA 1.673 55.592 54.000 -0.135 0.000 0.833 415 D CB -0.829 39.935 40.800 -0.060 0.000 0.954 415 D HN 0.282 nan 8.370 nan 0.000 0.455 416 L N 0.505 121.657 121.223 -0.118 0.000 2.095 416 L HA -0.028 4.312 4.340 -0.000 0.000 0.204 416 L C 2.549 179.346 176.870 -0.121 0.000 1.080 416 L CA 0.765 55.526 54.840 -0.132 0.000 0.759 416 L CB -0.359 41.603 42.059 -0.162 0.000 0.914 416 L HN -0.042 nan 8.230 nan 0.000 0.439 417 A N 0.669 123.415 122.820 -0.124 0.000 1.873 417 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 417 A C 2.369 179.903 177.584 -0.083 0.000 1.193 417 A CA 1.915 53.894 52.037 -0.097 0.000 0.629 417 A CB -0.510 18.422 19.000 -0.114 0.000 0.826 417 A HN 0.357 nan 8.150 nan 0.000 0.447 418 R N -0.254 120.111 120.500 -0.224 0.000 2.073 418 R HA -0.055 4.285 4.340 -0.000 0.000 0.229 418 R C 2.193 178.404 176.300 -0.148 0.000 1.120 418 R CA 1.461 57.423 56.100 -0.229 0.000 0.967 418 R CB -0.289 29.714 30.300 -0.494 0.000 0.862 418 R HN 0.556 nan 8.270 nan 0.000 0.436 419 K N 0.815 121.102 120.400 -0.189 0.000 2.057 419 K HA -0.036 4.284 4.320 -0.000 0.000 0.207 419 K C 2.217 178.671 176.600 -0.242 0.000 1.049 419 K CA 1.385 57.520 56.287 -0.252 0.000 0.931 419 K CB -0.170 32.208 32.500 -0.204 0.000 0.714 419 K HN 0.116 nan 8.250 nan 0.000 0.440 420 A N 1.605 124.404 122.820 -0.035 0.000 1.898 420 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 420 A C 1.925 179.584 177.584 0.125 0.000 1.181 420 A CA 0.882 52.977 52.037 0.098 0.000 0.620 420 A CB -0.937 18.115 19.000 0.086 0.000 0.819 420 A HN 0.583 nan 8.150 nan 0.000 0.442 421 W N 0.718 121.978 121.300 -0.067 0.000 2.338 421 W HA -0.170 4.490 4.660 -0.000 0.000 0.304 421 W C 2.074 178.552 176.519 -0.068 0.000 1.212 421 W CA 1.515 58.835 57.345 -0.042 0.000 1.264 421 W CB -0.309 29.116 29.460 -0.058 0.000 1.142 421 W HN 0.400 nan 8.180 nan 0.000 0.512 422 G N -0.806 107.954 108.800 -0.067 0.000 2.422 422 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.218 422 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.218 422 G C 1.194 175.978 174.900 -0.194 0.000 1.140 422 G CA 0.961 45.951 45.100 -0.183 0.000 0.775 422 G HN 0.330 nan 8.290 nan 0.000 0.545 423 H N 0.327 119.354 119.070 -0.072 0.000 2.428 423 H HA 0.095 4.651 4.556 -0.000 0.000 0.296 423 H C 2.645 177.939 175.328 -0.056 0.000 1.062 423 H CA 0.727 56.744 56.048 -0.052 0.000 1.350 423 H CB -0.086 29.640 29.762 -0.060 0.000 1.403 423 H HN 0.352 nan 8.280 nan 0.000 0.533 424 I N 1.042 121.601 120.570 -0.018 0.000 2.252 424 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 424 I C 2.585 178.555 176.117 -0.246 0.000 1.102 424 I CA 1.056 62.281 61.300 -0.125 0.000 1.385 424 I CB -0.255 37.606 38.000 -0.231 0.000 1.064 424 I HN 0.195 nan 8.210 nan 0.000 0.414 425 Q N 0.658 120.232 119.800 -0.378 0.000 2.014 425 Q HA -0.271 4.069 4.340 -0.000 0.000 0.207 425 Q C 2.170 178.084 176.000 -0.143 0.000 0.993 425 Q CA 1.986 57.603 55.803 -0.310 0.000 0.850 425 Q CB -0.229 28.330 28.738 -0.298 0.000 0.916 425 Q HN 0.533 nan 8.270 nan 0.000 0.417 426 E N -0.043 120.108 120.200 -0.081 0.000 2.048 426 E HA -0.224 4.126 4.350 -0.000 0.000 0.202 426 E C 2.153 178.745 176.600 -0.012 0.000 1.021 426 E CA 1.703 58.089 56.400 -0.023 0.000 0.825 426 E CB -0.257 29.461 29.700 0.029 0.000 0.756 426 E HN 0.142 nan 8.360 nan 0.000 0.454 427 V N 2.001 121.920 119.914 0.009 0.000 2.282 427 V HA -0.261 3.859 4.120 -0.000 0.000 0.249 427 V C 2.273 178.352 176.094 -0.025 0.000 1.057 427 V CA 1.922 64.224 62.300 0.004 0.000 1.032 427 V CB -0.497 31.353 31.823 0.045 0.000 0.645 427 V HN 0.235 nan 8.190 nan 0.000 0.447 428 E N -0.013 120.157 120.200 -0.050 0.000 2.110 428 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 428 E C 2.224 178.796 176.600 -0.046 0.000 0.988 428 E CA 1.008 57.376 56.400 -0.053 0.000 0.804 428 E CB -0.282 29.366 29.700 -0.086 0.000 0.745 428 E HN 0.599 nan 8.360 nan 0.000 0.458 429 K N 0.494 120.865 120.400 -0.048 0.000 2.032 429 K HA -0.091 4.229 4.320 -0.000 0.000 0.209 429 K C 1.815 178.398 176.600 -0.029 0.000 1.048 429 K CA 1.216 57.481 56.287 -0.036 0.000 0.927 429 K CB -0.083 32.397 32.500 -0.034 0.000 0.712 429 K HN -0.030 nan 8.250 nan 0.000 0.441 430 V N 0.634 120.532 119.914 -0.027 0.000 3.602 430 V HA 0.038 4.158 4.120 -0.000 0.000 0.289 430 V C 0.999 177.074 176.094 -0.032 0.000 1.265 430 V CA 0.931 63.214 62.300 -0.028 0.000 1.202 430 V CB -0.537 31.269 31.823 -0.027 0.000 1.012 430 V HN 0.671 nan 8.190 nan 0.000 0.431 431 G N -0.423 108.360 108.800 -0.029 0.000 2.132 431 G HA2 0.109 4.069 3.960 -0.000 0.000 0.234 431 G HA3 0.109 4.069 3.960 -0.000 0.000 0.234 431 G C 0.635 175.516 174.900 -0.031 0.000 0.989 431 G CA -0.088 44.995 45.100 -0.028 0.000 0.676 431 G HN 1.817 nan 8.290 nan 0.000 0.522 432 G N -2.141 106.641 108.800 -0.031 0.000 2.663 432 G HA2 0.171 4.131 3.960 -0.000 0.000 0.686 432 G HA3 0.171 4.131 3.960 -0.000 0.000 0.686 432 G C 0.633 175.497 174.900 -0.060 0.000 1.288 432 G CA 0.264 45.346 45.100 -0.031 0.000 0.836 432 G HN 0.712 nan 8.290 nan 0.000 0.584 433 M N 0.596 120.155 119.600 -0.069 0.000 2.117 433 M HA -0.068 4.412 4.480 -0.000 0.000 0.262 433 M C 3.013 179.233 176.300 -0.135 0.000 1.065 433 M CA 2.720 57.952 55.300 -0.114 0.000 1.114 433 M CB -1.803 30.728 32.600 -0.115 0.000 1.361 433 M HN 1.248 nan 8.290 nan 0.000 0.408 434 A N 0.532 123.273 122.820 -0.132 0.000 1.883 434 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 434 A C 2.223 179.719 177.584 -0.146 0.000 1.186 434 A CA 1.746 53.693 52.037 -0.150 0.000 0.624 434 A CB -0.563 18.348 19.000 -0.149 0.000 0.822 434 A HN 0.508 nan 8.150 nan 0.000 0.444 435 K N -0.245 120.087 120.400 -0.114 0.000 2.097 435 K HA -0.063 4.257 4.320 -0.000 0.000 0.206 435 K C 2.264 178.805 176.600 -0.099 0.000 1.049 435 K CA 1.123 57.350 56.287 -0.100 0.000 0.933 435 K CB -0.340 32.116 32.500 -0.073 0.000 0.717 435 K HN 0.450 nan 8.250 nan 0.000 0.442 436 A N 1.781 124.537 122.820 -0.107 0.000 1.898 436 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 436 A C 2.172 179.676 177.584 -0.134 0.000 1.181 436 A CA 1.006 52.974 52.037 -0.115 0.000 0.620 436 A CB -0.535 18.380 19.000 -0.141 0.000 0.819 436 A HN 0.141 nan 8.150 nan 0.000 0.442 437 I N -0.490 119.985 120.570 -0.158 0.000 2.151 437 I HA -0.281 3.889 4.170 -0.000 0.000 0.243 437 I C 2.528 178.576 176.117 -0.115 0.000 1.080 437 I CA 1.860 63.076 61.300 -0.139 0.000 1.339 437 I CB -0.300 37.623 38.000 -0.128 0.000 1.039 437 I HN 0.293 nan 8.210 nan 0.000 0.409 438 E N 1.358 121.477 120.200 -0.135 0.000 2.209 438 E HA -0.206 4.144 4.350 -0.000 0.000 0.196 438 E C 1.925 178.485 176.600 -0.067 0.000 0.993 438 E CA 1.377 57.711 56.400 -0.109 0.000 0.819 438 E CB -0.089 29.534 29.700 -0.128 0.000 0.745 438 E HN 0.375 nan 8.360 nan 0.000 0.477 439 K N -1.576 118.785 120.400 -0.064 0.000 2.365 439 K HA 0.080 4.400 4.320 -0.000 0.000 0.199 439 K C 1.253 177.831 176.600 -0.037 0.000 1.045 439 K CA 0.653 56.913 56.287 -0.046 0.000 0.962 439 K CB 0.098 32.571 32.500 -0.045 0.000 0.759 439 K HN 0.250 nan 8.250 nan 0.000 0.469 440 G N 1.130 109.905 108.800 -0.041 0.000 2.157 440 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.248 440 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.248 440 G C 0.779 175.661 174.900 -0.029 0.000 0.979 440 G CA 0.290 45.375 45.100 -0.026 0.000 0.650 440 G HN 0.250 nan 8.290 nan 0.000 0.529 441 I N 0.697 121.241 120.570 -0.043 0.000 2.233 441 I HA -0.049 4.121 4.170 -0.000 0.000 0.243 441 I C 0.415 176.520 176.117 -0.020 0.000 1.093 441 I CA 1.304 62.589 61.300 -0.026 0.000 1.380 441 I CB -1.227 36.762 38.000 -0.018 0.000 1.067 441 I HN 0.112 nan 8.210 nan 0.000 0.413 442 P HA -0.233 nan 4.420 nan 0.000 0.214 442 P C 1.600 178.907 177.300 0.012 0.000 1.163 442 P CA 1.668 64.651 63.100 -0.195 0.000 0.889 442 P CB -0.075 31.246 31.700 -0.631 0.000 0.790 443 K N -1.097 119.293 120.400 -0.018 0.000 2.057 443 K HA -0.145 4.175 4.320 -0.000 0.000 0.207 443 K C 2.176 178.789 176.600 0.021 0.000 1.049 443 K CA 1.417 57.715 56.287 0.019 0.000 0.931 443 K CB -0.551 31.962 32.500 0.022 0.000 0.714 443 K HN -0.103 nan 8.250 nan 0.000 0.440 444 M N 0.802 120.410 119.600 0.014 0.000 2.073 444 M HA -0.214 4.266 4.480 -0.000 0.000 0.258 444 M C 2.196 178.507 176.300 0.018 0.000 1.070 444 M CA 1.795 57.102 55.300 0.013 0.000 1.103 444 M CB -0.221 32.384 32.600 0.009 0.000 1.321 444 M HN 0.044 nan 8.290 nan 0.000 0.405 445 R N 0.184 120.707 120.500 0.038 0.000 2.091 445 R HA -0.095 4.245 4.340 -0.000 0.000 0.238 445 R C 1.796 178.100 176.300 0.006 0.000 1.136 445 R CA 1.916 58.035 56.100 0.032 0.000 0.959 445 R CB -0.798 29.553 30.300 0.086 0.000 0.856 445 R HN 0.530 nan 8.270 nan 0.000 0.437 446 I N 0.156 120.745 120.570 0.032 0.000 2.202 446 I HA -0.238 3.932 4.170 -0.000 0.000 0.242 446 I C 1.999 178.093 176.117 -0.040 0.000 1.091 446 I CA 1.640 62.933 61.300 -0.012 0.000 1.368 446 I CB -0.312 37.700 38.000 0.022 0.000 1.058 446 I HN 0.314 nan 8.210 nan 0.000 0.410 447 E N 0.578 120.766 120.200 -0.020 0.000 2.153 447 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 447 E C 2.034 178.624 176.600 -0.018 0.000 0.988 447 E CA 1.046 57.432 56.400 -0.024 0.000 0.811 447 E CB -0.007 29.687 29.700 -0.011 0.000 0.746 447 E HN 0.511 nan 8.360 nan 0.000 0.466 448 E N 0.628 120.820 120.200 -0.013 0.000 2.051 448 E HA -0.202 4.148 4.350 -0.000 0.000 0.192 448 E C 2.153 178.739 176.600 -0.024 0.000 0.991 448 E CA 0.958 57.353 56.400 -0.008 0.000 0.799 448 E CB -0.156 29.538 29.700 -0.009 0.000 0.748 448 E HN 0.231 nan 8.360 nan 0.000 0.449 449 A N 1.599 124.388 122.820 -0.052 0.000 1.908 449 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 449 A C 2.414 179.945 177.584 -0.089 0.000 1.181 449 A CA 1.905 53.895 52.037 -0.079 0.000 0.627 449 A CB -0.763 18.171 19.000 -0.111 0.000 0.818 449 A HN 0.308 nan 8.150 nan 0.000 0.445 450 A N -0.239 122.520 122.820 -0.102 0.000 1.902 450 A HA 0.133 4.453 4.320 -0.000 0.000 0.217 450 A C 2.517 180.099 177.584 -0.004 0.000 1.181 450 A CA 2.214 54.187 52.037 -0.107 0.000 0.623 450 A CB -1.029 17.904 19.000 -0.111 0.000 0.818 450 A HN 1.097 nan 8.150 nan 0.000 0.443 451 A N -0.292 122.549 122.820 0.035 0.000 1.877 451 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 451 A C 2.252 179.898 177.584 0.102 0.000 1.186 451 A CA 1.565 53.681 52.037 0.131 0.000 0.620 451 A CB -0.477 18.597 19.000 0.123 0.000 0.822 451 A HN 0.546 nan 8.150 nan 0.000 0.443 452 R N -0.997 119.515 120.500 0.021 0.000 2.073 452 R HA -0.097 4.243 4.340 -0.000 0.000 0.234 452 R C 2.326 178.620 176.300 -0.011 0.000 1.134 452 R CA 1.886 57.973 56.100 -0.021 0.000 0.952 452 R CB -0.779 29.502 30.300 -0.032 0.000 0.850 452 R HN 0.536 nan 8.270 nan 0.000 0.433 453 T N 0.653 115.211 114.554 0.006 0.000 2.708 453 T HA -0.208 4.142 4.350 -0.000 0.000 0.266 453 T C 1.738 176.514 174.700 0.126 0.000 1.037 453 T CA 1.485 63.618 62.100 0.055 0.000 1.146 453 T CB -0.198 68.666 68.868 -0.007 0.000 0.865 453 T HN 0.173 nan 8.240 nan 0.000 0.435 454 Q N 1.135 121.029 119.800 0.157 0.000 2.084 454 Q HA 0.017 4.357 4.340 -0.000 0.000 0.202 454 Q C 2.331 178.440 176.000 0.182 0.000 0.978 454 Q CA 1.810 57.754 55.803 0.235 0.000 0.844 454 Q CB -0.729 28.196 28.738 0.311 0.000 0.898 454 Q HN 0.520 nan 8.270 nan 0.000 0.426 455 A N 0.454 123.249 122.820 -0.042 0.000 1.883 455 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 455 A C 2.045 179.539 177.584 -0.150 0.000 1.186 455 A CA 1.782 53.572 52.037 -0.412 0.000 0.624 455 A CB -0.528 18.078 19.000 -0.656 0.000 0.822 455 A HN 0.452 nan 8.150 nan 0.000 0.444 456 R N -0.608 119.861 120.500 -0.051 0.000 2.120 456 R HA 0.007 4.347 4.340 -0.000 0.000 0.234 456 R C 1.868 178.190 176.300 0.036 0.000 1.123 456 R CA 1.528 57.629 56.100 0.000 0.000 0.975 456 R CB -0.447 29.874 30.300 0.034 0.000 0.866 456 R HN 0.566 nan 8.270 nan 0.000 0.446 457 I N 0.661 121.275 120.570 0.074 0.000 2.333 457 I HA -0.178 3.992 4.170 -0.000 0.000 0.246 457 I C 1.459 177.614 176.117 0.064 0.000 1.106 457 I CA 1.045 62.393 61.300 0.080 0.000 1.411 457 I CB -0.156 37.915 38.000 0.118 0.000 1.082 457 I HN 0.033 nan 8.210 nan 0.000 0.420 458 D N 0.620 121.071 120.400 0.086 0.000 2.097 458 D HA -0.174 4.466 4.640 -0.000 0.000 0.195 458 D C 2.401 178.735 176.300 0.056 0.000 0.989 458 D CA 1.960 56.017 54.000 0.095 0.000 0.827 458 D CB -0.393 40.514 40.800 0.179 0.000 0.966 458 D HN 0.316 nan 8.370 nan 0.000 0.456 459 S N -0.758 114.957 115.700 0.024 0.000 2.399 459 S HA -0.011 4.459 4.470 -0.000 0.000 0.231 459 S C 1.896 176.499 174.600 0.006 0.000 1.022 459 S CA 1.776 59.979 58.200 0.005 0.000 0.983 459 S CB -0.091 63.092 63.200 -0.029 0.000 0.803 459 S HN 0.415 nan 8.310 nan 0.000 0.480 460 G N 0.014 108.818 108.800 0.008 0.000 2.201 460 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.212 460 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.212 460 G C 0.987 175.888 174.900 0.001 0.000 0.994 460 G CA 0.363 45.461 45.100 -0.002 0.000 0.644 460 G HN 0.471 nan 8.290 nan 0.000 0.508 461 R N -0.236 120.270 120.500 0.011 0.000 2.083 461 R HA 0.076 4.416 4.340 -0.000 0.000 0.237 461 R C 1.583 177.909 176.300 0.043 0.000 1.137 461 R CA 1.878 57.992 56.100 0.023 0.000 0.951 461 R CB -0.637 29.677 30.300 0.023 0.000 0.851 461 R HN 0.727 nan 8.270 nan 0.000 0.434 462 Q N 1.299 121.132 119.800 0.055 0.000 2.421 462 Q HA 0.269 4.609 4.340 -0.000 0.000 0.242 462 Q C -2.609 173.422 176.000 0.053 0.000 1.024 462 Q CA -2.568 53.283 55.803 0.080 0.000 0.891 462 Q CB 1.363 30.169 28.738 0.113 0.000 1.222 462 Q HN 0.127 nan 8.270 nan 0.000 0.483 463 P HA 0.027 nan 4.420 nan 0.000 0.269 463 P C -1.278 176.021 177.300 -0.002 0.000 1.209 463 P CA -0.242 62.852 63.100 -0.010 0.000 0.776 463 P CB 0.571 32.254 31.700 -0.028 0.000 0.876 464 L N 4.022 125.227 121.223 -0.031 0.000 2.573 464 L HA 0.317 4.657 4.340 -0.000 0.000 0.260 464 L C -1.097 175.748 176.870 -0.042 0.000 0.997 464 L CA -0.558 54.260 54.840 -0.037 0.000 0.890 464 L CB 0.442 42.470 42.059 -0.052 0.000 1.179 464 L HN 0.109 nan 8.230 nan 0.000 0.439 465 I N 5.008 125.566 120.570 -0.020 0.000 2.668 465 I HA 0.318 4.488 4.170 -0.000 0.000 0.285 465 I C 1.570 177.701 176.117 0.023 0.000 1.168 465 I CA 1.222 62.528 61.300 0.010 0.000 1.424 465 I CB -0.214 37.827 38.000 0.069 0.000 1.377 465 I HN 0.905 nan 8.210 nan 0.000 0.560 466 G N 4.309 113.131 108.800 0.038 0.000 2.175 466 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.244 466 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.244 466 G C 0.535 175.447 174.900 0.020 0.000 0.982 466 G CA 0.268 45.397 45.100 0.048 0.000 0.641 466 G HN 0.447 nan 8.290 nan 0.000 0.527 467 V N 0.787 120.697 119.914 -0.006 0.000 3.240 467 V HA 0.170 4.290 4.120 -0.000 0.000 0.218 467 V C 2.011 178.096 176.094 -0.014 0.000 1.190 467 V CA 1.700 63.994 62.300 -0.010 0.000 1.280 467 V CB -0.152 31.654 31.823 -0.029 0.000 1.244 467 V HN 0.483 nan 8.190 nan 0.000 0.512 468 N N 0.199 118.879 118.700 -0.033 0.000 2.299 468 N HA 0.090 4.830 4.740 -0.000 0.000 0.187 468 N C 0.154 175.610 175.510 -0.090 0.000 1.099 468 N CA 0.227 53.255 53.050 -0.038 0.000 0.867 468 N CB 0.433 38.906 38.487 -0.024 0.000 0.974 468 N HN 0.497 nan 8.380 nan 0.000 0.477 469 K N -0.181 120.130 120.400 -0.148 0.000 2.501 469 K HA 0.215 4.535 4.320 -0.000 0.000 0.252 469 K C -1.148 175.277 176.600 -0.292 0.000 0.934 469 K CA -0.722 55.361 56.287 -0.340 0.000 0.797 469 K CB 0.825 33.021 32.500 -0.507 0.000 1.270 469 K HN -0.028 nan 8.250 nan 0.000 0.431 470 Y N 0.454 120.763 120.300 0.016 0.000 3.001 470 Y HA -0.289 4.261 4.550 -0.000 0.000 0.187 470 Y C 0.056 175.966 175.900 0.016 0.000 1.462 470 Y CA 0.229 58.338 58.100 0.015 0.000 0.936 470 Y CB -1.694 36.774 38.460 0.013 0.000 1.337 470 Y HN 0.468 nan 8.280 nan 0.000 0.428 471 R N 0.593 121.162 120.500 0.115 0.000 2.679 471 R HA 0.491 4.830 4.340 -0.000 0.000 0.269 471 R C 0.610 176.961 176.300 0.084 0.000 1.076 471 R CA -0.680 55.467 56.100 0.078 0.000 1.160 471 R CB 0.679 31.010 30.300 0.053 0.000 1.054 471 R HN 0.390 nan 8.270 nan 0.000 0.507 472 L N 1.043 122.306 121.223 0.066 0.000 2.448 472 L HA 0.224 4.564 4.340 -0.000 0.000 0.258 472 L C 1.984 178.882 176.870 0.046 0.000 1.104 472 L CA -0.071 54.802 54.840 0.055 0.000 0.800 472 L CB 0.661 42.749 42.059 0.048 0.000 1.241 472 L HN 0.791 nan 8.230 nan 0.000 0.472 473 E N -0.500 119.722 120.200 0.038 0.000 2.022 473 E HA 0.024 4.374 4.350 -0.000 0.000 0.193 473 E C 0.847 177.466 176.600 0.032 0.000 0.969 473 E CA 0.996 57.416 56.400 0.034 0.000 0.834 473 E CB -1.068 nan 29.700 nan 0.000 0.798 473 E HN 0.795 nan 8.360 nan 0.000 0.467 474 H N -0.611 118.475 119.070 0.026 0.000 2.580 474 H HA 0.683 5.239 4.556 -0.000 0.000 0.322 474 H C 0.071 175.413 175.328 0.024 0.000 1.082 474 H CA 0.177 56.238 56.048 0.022 0.000 1.383 474 H CB 0.044 29.814 29.762 0.015 0.000 1.450 474 H HN 0.820 nan 8.280 nan 0.000 0.505 475 E N 4.168 124.383 120.200 0.024 0.000 2.081 475 E HA 0.440 4.790 4.350 -0.000 0.000 0.281 475 E C -2.552 174.058 176.600 0.016 0.000 0.986 475 E CA -1.909 54.508 56.400 0.027 0.000 0.796 475 E CB -0.010 29.707 29.700 0.029 0.000 1.085 475 E HN 0.826 nan 8.360 nan 0.000 0.398 476 P HA 0.210 nan 4.420 nan 0.000 0.265 476 P C -2.196 175.110 177.300 0.011 0.000 1.193 476 P CA -0.957 62.151 63.100 0.014 0.000 0.765 476 P CB -0.130 31.583 31.700 0.020 0.000 0.823 477 P HA 0.019 nan 4.420 nan 0.000 0.266 477 P C -0.754 176.542 177.300 -0.006 0.000 1.180 477 P CA 0.167 63.254 63.100 -0.023 0.000 0.765 477 P CB 0.239 31.920 31.700 -0.031 0.000 0.806 478 L N 2.262 123.474 121.223 -0.019 0.000 2.404 478 L HA 0.360 4.700 4.340 -0.000 0.000 0.272 478 L C -0.824 176.036 176.870 -0.017 0.000 0.980 478 L CA -0.570 54.270 54.840 0.001 0.000 0.836 478 L CB 1.539 43.606 42.059 0.013 0.000 1.238 478 L HN 0.087 nan 8.230 nan 0.000 0.408 479 D N 3.745 124.138 120.400 -0.012 0.000 2.363 479 D HA 0.332 4.972 4.640 -0.000 0.000 0.263 479 D C -0.236 176.053 176.300 -0.017 0.000 1.258 479 D CA 0.633 54.620 54.000 -0.022 0.000 0.907 479 D CB 0.683 41.467 40.800 -0.026 0.000 1.107 479 D HN 0.391 nan 8.370 nan 0.000 0.495 480 V N 0.734 120.628 119.914 -0.033 0.000 2.919 480 V HA 0.550 4.670 4.120 -0.000 0.000 0.316 480 V C -0.276 175.777 176.094 -0.068 0.000 1.077 480 V CA -1.363 60.911 62.300 -0.042 0.000 0.977 480 V CB 1.780 33.580 31.823 -0.038 0.000 1.039 480 V HN 0.271 nan 8.190 nan 0.000 0.441 481 L N 2.530 123.692 121.223 -0.101 0.000 2.410 481 L HA 0.523 4.863 4.340 -0.000 0.000 0.273 481 L C -0.012 176.791 176.870 -0.112 0.000 1.152 481 L CA 0.357 55.102 54.840 -0.158 0.000 0.855 481 L CB 0.335 42.222 42.059 -0.287 0.000 1.129 481 L HN 1.050 nan 8.230 nan 0.000 0.463 482 K N 4.765 125.107 120.400 -0.097 0.000 2.397 482 K HA 0.572 4.892 4.320 -0.000 0.000 0.253 482 K C -1.729 174.844 176.600 -0.045 0.000 0.932 482 K CA -0.809 55.445 56.287 -0.055 0.000 0.795 482 K CB 1.813 34.294 32.500 -0.033 0.000 1.159 482 K HN 0.495 nan 8.250 nan 0.000 0.424 483 V N 2.856 122.760 119.914 -0.017 0.000 2.546 483 V HA 0.105 4.225 4.120 -0.000 0.000 0.284 483 V C -0.201 175.899 176.094 0.010 0.000 1.050 483 V CA -0.485 61.828 62.300 0.021 0.000 0.981 483 V CB 1.321 33.177 31.823 0.055 0.000 0.990 483 V HN 0.807 nan 8.190 nan 0.000 0.474 484 D N 3.353 123.763 120.400 0.016 0.000 2.359 484 D HA 0.226 4.866 4.640 -0.000 0.000 0.230 484 D C 0.954 177.258 176.300 0.008 0.000 1.118 484 D CA 0.021 54.023 54.000 0.004 0.000 0.844 484 D CB 0.711 41.513 40.800 0.004 0.000 1.059 484 D HN 0.542 nan 8.370 nan 0.000 0.493 485 N N 1.559 120.260 118.700 0.002 0.000 2.007 485 N HA -0.290 4.450 4.740 -0.000 0.000 0.197 485 N C 1.751 177.264 175.510 0.005 0.000 1.050 485 N CA 1.673 54.727 53.050 0.006 0.000 0.856 485 N CB -0.039 38.448 38.487 0.000 0.000 1.050 485 N HN 0.456 nan 8.380 nan 0.000 0.423 486 S N 0.087 115.788 115.700 0.000 0.000 2.411 486 S HA -0.357 4.113 4.470 -0.000 0.000 0.293 486 S C 1.822 176.423 174.600 0.002 0.000 1.146 486 S CA 2.948 61.148 58.200 0.000 0.000 1.337 486 S CB -1.319 61.880 63.200 -0.002 0.000 1.258 486 S HN 0.486 nan 8.310 nan 0.000 0.453 487 T N 2.077 116.633 114.554 0.003 0.000 2.746 487 T HA -0.034 4.316 4.350 -0.000 0.000 0.267 487 T C 1.962 176.664 174.700 0.003 0.000 1.039 487 T CA 1.616 63.717 62.100 0.003 0.000 1.142 487 T CB -0.783 68.087 68.868 0.002 0.000 0.866 487 T HN 0.418 nan 8.240 nan 0.000 0.444 488 V N 1.667 121.585 119.914 0.006 0.000 2.237 488 V HA -0.113 4.007 4.120 -0.000 0.000 0.245 488 V C 2.416 178.515 176.094 0.009 0.000 1.046 488 V CA 1.314 63.618 62.300 0.005 0.000 1.007 488 V CB -1.122 30.708 31.823 0.011 0.000 0.638 488 V HN 0.254 nan 8.190 nan 0.000 0.445 489 L N 0.895 122.124 121.223 0.011 0.000 1.978 489 L HA -0.242 4.097 4.340 -0.000 0.000 0.218 489 L C 2.556 179.432 176.870 0.010 0.000 1.075 489 L CA 2.614 57.461 54.840 0.011 0.000 0.767 489 L CB -1.021 41.042 42.059 0.007 0.000 0.890 489 L HN 0.280 nan 8.230 nan 0.000 0.434 490 A N -1.138 121.687 122.820 0.007 0.000 1.873 490 A HA -0.333 3.987 4.320 -0.000 0.000 0.218 490 A C 2.326 179.916 177.584 0.010 0.000 1.193 490 A CA 2.195 54.237 52.037 0.007 0.000 0.629 490 A CB -0.925 18.078 19.000 0.004 0.000 0.826 490 A HN 0.622 nan 8.150 nan 0.000 0.447 491 E N -1.113 119.092 120.200 0.008 0.000 2.110 491 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 491 E C 2.255 178.867 176.600 0.021 0.000 0.988 491 E CA 1.214 57.620 56.400 0.009 0.000 0.804 491 E CB -0.038 29.662 29.700 0.000 0.000 0.745 491 E HN 0.577 nan 8.360 nan 0.000 0.458 492 Q N 0.424 120.238 119.800 0.023 0.000 2.083 492 Q HA -0.115 4.224 4.340 -0.000 0.000 0.198 492 Q C 1.987 178.008 176.000 0.035 0.000 0.969 492 Q CA 1.103 56.926 55.803 0.033 0.000 0.838 492 Q CB -0.170 28.585 28.738 0.029 0.000 0.900 492 Q HN 0.232 nan 8.270 nan 0.000 0.436 493 K N 0.761 121.176 120.400 0.026 0.000 2.009 493 K HA -0.088 4.232 4.320 -0.000 0.000 0.210 493 K C 2.123 178.742 176.600 0.031 0.000 1.049 493 K CA 1.336 57.638 56.287 0.024 0.000 0.929 493 K CB -0.248 32.262 32.500 0.017 0.000 0.714 493 K HN 0.155 nan 8.250 nan 0.000 0.440 494 A N 1.696 124.534 122.820 0.030 0.000 1.940 494 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 494 A C 1.856 179.476 177.584 0.059 0.000 1.176 494 A CA 1.714 53.772 52.037 0.035 0.000 0.631 494 A CB -0.306 18.707 19.000 0.022 0.000 0.814 494 A HN 0.207 nan 8.150 nan 0.000 0.446 495 K N -0.505 119.944 120.400 0.082 0.000 2.217 495 K HA 0.121 4.441 4.320 -0.000 0.000 0.202 495 K C 1.669 178.367 176.600 0.165 0.000 1.051 495 K CA 0.844 57.229 56.287 0.163 0.000 0.952 495 K CB -0.245 32.383 32.500 0.213 0.000 0.736 495 K HN 0.441 nan 8.250 nan 0.000 0.453 496 L N 0.124 121.395 121.223 0.080 0.000 2.109 496 L HA -0.154 4.186 4.340 -0.000 0.000 0.207 496 L C 2.111 179.001 176.870 0.035 0.000 1.086 496 L CA 0.668 55.528 54.840 0.033 0.000 0.760 496 L CB -0.291 41.778 42.059 0.016 0.000 0.910 496 L HN -0.024 nan 8.230 nan 0.000 0.437 497 V N 0.253 120.194 119.914 0.044 0.000 2.255 497 V HA -0.381 3.739 4.120 -0.000 0.000 0.247 497 V C 2.580 178.708 176.094 0.058 0.000 1.051 497 V CA 2.208 64.532 62.300 0.039 0.000 1.018 497 V CB -0.572 31.271 31.823 0.034 0.000 0.641 497 V HN 0.475 nan 8.190 nan 0.000 0.445 498 K N -0.333 120.124 120.400 0.095 0.000 2.044 498 K HA -0.256 4.064 4.320 -0.000 0.000 0.210 498 K C 2.201 178.921 176.600 0.200 0.000 1.049 498 K CA 2.125 58.495 56.287 0.138 0.000 0.927 498 K CB -0.318 32.276 32.500 0.157 0.000 0.713 498 K HN 0.337 nan 8.250 nan 0.000 0.443 499 L N 1.597 122.944 121.223 0.206 0.000 2.012 499 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 499 L C 2.325 179.180 176.870 -0.025 0.000 1.073 499 L CA 1.666 56.499 54.840 -0.012 0.000 0.748 499 L CB -0.287 41.597 42.059 -0.292 0.000 0.891 499 L HN 0.130 nan 8.230 nan 0.000 0.431 500 R N -0.801 119.691 120.500 -0.013 0.000 2.148 500 R HA -0.008 4.332 4.340 -0.000 0.000 0.227 500 R C 2.021 178.325 176.300 0.007 0.000 1.103 500 R CA 0.992 57.084 56.100 -0.013 0.000 0.983 500 R CB -0.420 29.874 30.300 -0.010 0.000 0.874 500 R HN 0.509 nan 8.270 nan 0.000 0.451 501 A N 0.672 123.507 122.820 0.026 0.000 2.169 501 A HA -0.043 4.277 4.320 -0.000 0.000 0.212 501 A C 1.422 179.029 177.584 0.039 0.000 1.153 501 A CA 0.667 52.721 52.037 0.029 0.000 0.756 501 A CB 0.106 19.125 19.000 0.032 0.000 0.813 501 A HN 0.253 nan 8.150 nan 0.000 0.471 502 E N -0.157 120.079 120.200 0.060 0.000 2.431 502 E HA 0.021 4.371 4.350 -0.000 0.000 0.200 502 E C 0.697 177.324 176.600 0.044 0.000 0.995 502 E CA -0.273 56.168 56.400 0.068 0.000 0.915 502 E CB 0.173 29.947 29.700 0.123 0.000 0.930 502 E HN 0.707 nan 8.360 nan 0.000 0.496 503 R N 1.506 122.018 120.500 0.020 0.000 2.560 503 R HA 0.210 4.550 4.340 -0.000 0.000 0.270 503 R C -0.205 176.093 176.300 -0.003 0.000 1.074 503 R CA -0.568 55.531 56.100 -0.002 0.000 1.140 503 R CB 0.565 30.845 30.300 -0.033 0.000 1.073 503 R HN -0.262 nan 8.270 nan 0.000 0.527 504 D N 1.863 122.259 120.400 -0.008 0.000 2.339 504 D HA 0.152 4.792 4.640 -0.000 0.000 0.241 504 D C -1.642 174.650 176.300 -0.015 0.000 1.183 504 D CA -2.544 51.451 54.000 -0.009 0.000 0.859 504 D CB 1.586 42.380 40.800 -0.009 0.000 1.067 504 D HN 0.304 nan 8.370 nan 0.000 0.484 505 P HA -0.092 nan 4.420 nan 0.000 0.217 505 P C 1.091 178.380 177.300 -0.017 0.000 1.150 505 P CA 1.534 64.625 63.100 -0.015 0.000 0.832 505 P CB 0.266 31.959 31.700 -0.012 0.000 0.787 506 E N 1.160 121.350 120.200 -0.017 0.000 2.046 506 E HA -0.191 4.158 4.350 -0.000 0.000 0.190 506 E C 1.843 178.429 176.600 -0.022 0.000 0.982 506 E CA 1.467 57.856 56.400 -0.019 0.000 0.800 506 E CB -1.295 nan 29.700 nan 0.000 0.756 506 E HN 0.378 nan 8.360 nan 0.000 0.449 507 K N 0.211 120.598 120.400 -0.022 0.000 2.057 507 K HA -0.041 4.279 4.320 -0.000 0.000 0.207 507 K C 2.342 178.926 176.600 -0.028 0.000 1.049 507 K CA 1.210 57.482 56.287 -0.025 0.000 0.931 507 K CB -0.412 32.075 32.500 -0.023 0.000 0.714 507 K HN 0.218 nan 8.250 nan 0.000 0.440 508 V N 2.154 122.050 119.914 -0.029 0.000 2.231 508 V HA -0.337 3.783 4.120 -0.000 0.000 0.250 508 V C 2.399 178.475 176.094 -0.030 0.000 1.058 508 V CA 1.910 64.191 62.300 -0.033 0.000 1.022 508 V CB -0.431 31.372 31.823 -0.033 0.000 0.640 508 V HN 0.333 nan 8.190 nan 0.000 0.445 509 K N -0.611 119.774 120.400 -0.026 0.000 2.063 509 K HA -0.191 4.129 4.320 -0.000 0.000 0.208 509 K C 2.258 178.844 176.600 -0.024 0.000 1.048 509 K CA 1.499 57.772 56.287 -0.023 0.000 0.928 509 K CB -0.370 32.118 32.500 -0.020 0.000 0.713 509 K HN 0.479 nan 8.250 nan 0.000 0.442 510 A N 1.082 123.886 122.820 -0.028 0.000 1.865 510 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 510 A C 2.309 179.875 177.584 -0.029 0.000 1.191 510 A CA 2.087 54.105 52.037 -0.033 0.000 0.623 510 A CB -0.822 18.155 19.000 -0.038 0.000 0.826 510 A HN 0.428 nan 8.150 nan 0.000 0.444 511 A N -0.484 122.320 122.820 -0.028 0.000 1.933 511 A HA -0.001 4.319 4.320 -0.000 0.000 0.218 511 A C 2.172 179.742 177.584 -0.024 0.000 1.175 511 A CA 1.448 53.470 52.037 -0.026 0.000 0.628 511 A CB -0.588 18.394 19.000 -0.031 0.000 0.814 511 A HN 0.480 nan 8.150 nan 0.000 0.444 512 L N -0.544 120.663 121.223 -0.027 0.000 2.046 512 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 512 L C 2.003 178.863 176.870 -0.018 0.000 1.077 512 L CA 1.423 56.246 54.840 -0.028 0.000 0.747 512 L CB -0.640 41.401 42.059 -0.030 0.000 0.896 512 L HN 0.285 nan 8.230 nan 0.000 0.432 513 D N -0.003 120.393 120.400 -0.007 0.000 2.178 513 D HA -0.169 4.471 4.640 -0.000 0.000 0.202 513 D C 2.131 178.466 176.300 0.059 0.000 0.974 513 D CA 0.980 54.989 54.000 0.015 0.000 0.841 513 D CB 0.007 40.809 40.800 0.003 0.000 0.953 513 D HN 0.202 nan 8.370 nan 0.000 0.478 514 K N 0.326 120.753 120.400 0.045 0.000 2.063 514 K HA -0.108 4.212 4.320 -0.000 0.000 0.208 514 K C 2.217 178.901 176.600 0.139 0.000 1.048 514 K CA 0.676 57.029 56.287 0.110 0.000 0.928 514 K CB -0.090 32.437 32.500 0.046 0.000 0.713 514 K HN 0.087 nan 8.250 nan 0.000 0.442 515 I N 0.513 121.104 120.570 0.035 0.000 2.099 515 I HA -0.337 3.833 4.170 -0.000 0.000 0.239 515 I C 2.161 178.232 176.117 -0.077 0.000 1.066 515 I CA 1.729 63.012 61.300 -0.028 0.000 1.324 515 I CB -0.537 37.422 38.000 -0.069 0.000 1.037 515 I HN 0.237 nan 8.210 nan 0.000 0.401 516 T N -0.449 114.061 114.554 -0.073 0.000 2.720 516 T HA -0.272 4.078 4.350 -0.000 0.000 0.268 516 T C 1.356 176.003 174.700 -0.088 0.000 1.037 516 T CA 1.652 63.676 62.100 -0.126 0.000 1.144 516 T CB -0.569 68.252 68.868 -0.078 0.000 0.864 516 T HN 0.533 nan 8.240 nan 0.000 0.444 517 W N 2.242 123.476 121.300 -0.109 0.000 2.333 517 W HA -0.130 4.530 4.660 -0.000 0.000 0.316 517 W C 2.655 179.124 176.519 -0.083 0.000 1.215 517 W CA 1.482 58.778 57.345 -0.082 0.000 1.278 517 W CB -0.789 28.635 29.460 -0.060 0.000 1.154 517 W HN 0.248 nan 8.180 nan 0.000 0.486 518 A N 0.810 123.538 122.820 -0.155 0.000 1.883 518 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 518 A C 2.145 179.502 177.584 -0.378 0.000 1.186 518 A CA 3.036 54.846 52.037 -0.379 0.000 0.624 518 A CB -1.691 17.261 19.000 -0.080 0.000 0.822 518 A HN 0.543 nan 8.150 nan 0.000 0.444 519 A N -0.532 122.101 122.820 -0.312 0.000 1.884 519 A HA -0.030 4.289 4.320 -0.000 0.000 0.219 519 A C 2.459 179.867 177.584 -0.294 0.000 1.197 519 A CA 2.302 54.120 52.037 -0.366 0.000 0.637 519 A CB -1.551 17.045 19.000 -0.672 0.000 0.827 519 A HN 0.913 nan 8.150 nan 0.000 0.450 520 G N -0.959 107.638 108.800 -0.338 0.000 2.471 520 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.219 520 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.219 520 G C 0.465 175.162 174.900 -0.338 0.000 1.125 520 G CA 0.887 45.821 45.100 -0.277 0.000 0.775 520 G HN 0.633 nan 8.290 nan 0.000 0.548 521 N N 1.095 119.469 118.700 -0.545 0.000 2.844 521 N HA 0.300 5.040 4.740 -0.000 0.000 0.268 521 N C -2.917 172.351 175.510 -0.404 0.000 1.574 521 N CA -1.063 51.670 53.050 -0.527 0.000 0.838 521 N CB 2.060 39.972 38.487 -0.958 0.000 1.177 521 N HN 0.102 nan 8.380 nan 0.000 0.495 522 P HA 0.086 nan 4.420 nan 0.000 0.271 522 P C -0.858 176.375 177.300 -0.113 0.000 1.216 522 P CA 0.331 63.343 63.100 -0.147 0.000 0.771 522 P CB 1.071 32.721 31.700 -0.084 0.000 0.864 523 D N 2.098 122.450 120.400 -0.080 0.000 2.479 523 D HA 0.072 4.712 4.640 -0.000 0.000 0.246 523 D C 0.476 176.768 176.300 -0.014 0.000 1.336 523 D CA -0.396 53.584 54.000 -0.035 0.000 0.967 523 D CB 0.661 41.455 40.800 -0.009 0.000 1.275 523 D HN 0.229 nan 8.370 nan 0.000 0.577 524 D N 1.389 121.783 120.400 -0.010 0.000 2.310 524 D HA -0.123 4.517 4.640 -0.000 0.000 0.212 524 D C 0.941 177.248 176.300 0.013 0.000 0.965 524 D CA 0.695 54.695 54.000 -0.000 0.000 0.879 524 D CB 0.180 40.977 40.800 -0.005 0.000 0.921 524 D HN 0.083 nan 8.370 nan 0.000 0.510 525 K N -0.799 119.611 120.400 0.016 0.000 2.444 525 K HA 0.083 4.403 4.320 -0.000 0.000 0.193 525 K C 0.161 176.780 176.600 0.030 0.000 1.024 525 K CA 0.422 56.723 56.287 0.023 0.000 1.077 525 K CB -0.253 32.260 32.500 0.022 0.000 0.833 525 K HN 0.360 nan 8.250 nan 0.000 0.517 526 D N 0.568 120.989 120.400 0.036 0.000 2.427 526 D HA 0.274 4.914 4.640 -0.000 0.000 0.226 526 D C -2.013 174.320 176.300 0.055 0.000 1.076 526 D CA -2.672 51.358 54.000 0.051 0.000 0.849 526 D CB 1.779 42.621 40.800 0.070 0.000 1.052 526 D HN -0.103 nan 8.370 nan 0.000 0.515 527 P HA -0.056 nan 4.420 nan 0.000 0.218 527 P C 0.557 177.907 177.300 0.084 0.000 1.149 527 P CA 0.736 63.877 63.100 0.068 0.000 0.817 527 P CB 0.372 32.104 31.700 0.053 0.000 0.785 528 D N -0.669 119.778 120.400 0.078 0.000 2.310 528 D HA -0.110 4.530 4.640 -0.000 0.000 0.212 528 D C 1.789 178.153 176.300 0.105 0.000 0.965 528 D CA 0.715 54.765 54.000 0.083 0.000 0.879 528 D CB -0.117 40.726 40.800 0.071 0.000 0.921 528 D HN 0.240 nan 8.370 nan 0.000 0.510 529 R N 0.756 121.325 120.500 0.115 0.000 2.317 529 R HA 0.024 4.364 4.340 -0.000 0.000 0.208 529 R C 0.736 177.066 176.300 0.050 0.000 0.914 529 R CA -0.281 55.890 56.100 0.118 0.000 1.060 529 R CB 0.172 30.523 30.300 0.086 0.000 1.015 529 R HN 0.036 nan 8.270 nan 0.000 0.498 530 N N 1.361 120.092 118.700 0.052 0.000 2.357 530 N HA -0.123 4.617 4.740 -0.000 0.000 0.257 530 N C 0.992 176.490 175.510 -0.020 0.000 1.250 530 N CA 0.278 53.346 53.050 0.031 0.000 0.862 530 N CB 0.760 39.307 38.487 0.099 0.000 1.066 530 N HN 0.155 nan 8.380 nan 0.000 0.468 531 L N 3.140 124.336 121.223 -0.044 0.000 2.131 531 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 531 L C 2.239 179.035 176.870 -0.124 0.000 1.092 531 L CA 0.646 55.442 54.840 -0.074 0.000 0.759 531 L CB -0.355 41.668 42.059 -0.060 0.000 0.903 531 L HN 0.553 nan 8.230 nan 0.000 0.435 532 L N 0.166 121.279 121.223 -0.183 0.000 2.027 532 L HA -0.173 4.167 4.340 -0.000 0.000 0.206 532 L C 2.562 179.177 176.870 -0.425 0.000 1.074 532 L CA 1.772 56.413 54.840 -0.332 0.000 0.745 532 L CB -0.818 40.958 42.059 -0.471 0.000 0.898 532 L HN 0.115 nan 8.230 nan 0.000 0.433 533 K N -0.126 120.035 120.400 -0.398 0.000 2.044 533 K HA -0.192 4.128 4.320 -0.000 0.000 0.210 533 K C 2.066 178.595 176.600 -0.118 0.000 1.049 533 K CA 2.063 58.217 56.287 -0.222 0.000 0.927 533 K CB -0.407 32.112 32.500 0.033 0.000 0.713 533 K HN 0.450 nan 8.250 nan 0.000 0.443 534 L N 0.148 121.322 121.223 -0.081 0.000 2.217 534 L HA -0.171 4.169 4.340 -0.000 0.000 0.211 534 L C 2.757 179.582 176.870 -0.074 0.000 1.107 534 L CA 0.510 55.319 54.840 -0.053 0.000 0.783 534 L CB -0.340 41.708 42.059 -0.018 0.000 0.919 534 L HN 0.235 nan 8.230 nan 0.000 0.442 535 C N 0.171 119.407 119.300 -0.108 0.000 2.429 535 C HA -0.137 4.323 4.460 -0.000 0.000 0.277 535 C C 2.729 177.655 174.990 -0.107 0.000 1.262 535 C CA 0.442 59.397 59.018 -0.106 0.000 1.733 535 C CB -0.544 27.124 27.740 -0.120 0.000 2.010 535 C HN 0.424 nan 8.230 nan 0.000 0.483 536 I N 1.282 121.769 120.570 -0.138 0.000 2.113 536 I HA -0.288 3.882 4.170 -0.000 0.000 0.242 536 I C 2.154 178.227 176.117 -0.073 0.000 1.064 536 I CA 1.849 63.079 61.300 -0.116 0.000 1.320 536 I CB -0.588 37.325 38.000 -0.144 0.000 1.028 536 I HN 0.381 nan 8.210 nan 0.000 0.406 537 D N 0.864 121.228 120.400 -0.061 0.000 2.117 537 D HA -0.141 4.499 4.640 -0.000 0.000 0.197 537 D C 2.266 178.540 176.300 -0.044 0.000 0.987 537 D CA 1.589 55.565 54.000 -0.042 0.000 0.829 537 D CB -0.268 40.515 40.800 -0.029 0.000 0.961 537 D HN 0.406 nan 8.370 nan 0.000 0.460 538 A N 1.097 123.887 122.820 -0.050 0.000 1.877 538 A HA -0.058 4.262 4.320 -0.000 0.000 0.216 538 A C 2.427 179.978 177.584 -0.055 0.000 1.186 538 A CA 2.203 54.210 52.037 -0.050 0.000 0.620 538 A CB -1.170 17.798 19.000 -0.053 0.000 0.822 538 A HN 0.309 nan 8.150 nan 0.000 0.443 539 G N -0.906 107.858 108.800 -0.060 0.000 2.422 539 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.218 539 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.218 539 G C 1.713 176.582 174.900 -0.052 0.000 1.146 539 G CA 0.975 46.040 45.100 -0.059 0.000 0.769 539 G HN 0.551 nan 8.290 nan 0.000 0.547 540 R N 0.601 121.074 120.500 -0.045 0.000 2.152 540 R HA 0.068 4.408 4.340 -0.000 0.000 0.232 540 R C 2.462 178.743 176.300 -0.032 0.000 1.117 540 R CA 1.137 57.217 56.100 -0.033 0.000 0.981 540 R CB -0.237 30.046 30.300 -0.029 0.000 0.870 540 R HN 0.287 nan 8.270 nan 0.000 0.451 541 A N 0.128 122.925 122.820 -0.038 0.000 2.238 541 A HA 0.109 4.429 4.320 -0.000 0.000 0.208 541 A C 0.835 178.387 177.584 -0.052 0.000 1.177 541 A CA 0.479 52.493 52.037 -0.038 0.000 0.804 541 A CB -0.159 18.819 19.000 -0.038 0.000 0.823 541 A HN 0.548 nan 8.150 nan 0.000 0.482 542 M N -2.633 116.923 119.600 -0.073 0.000 2.879 542 M HA -0.182 4.298 4.480 -0.000 0.000 0.218 542 M C 0.417 176.649 176.300 -0.113 0.000 0.518 542 M CA 0.299 55.527 55.300 -0.119 0.000 0.751 542 M CB -2.212 30.302 32.600 -0.143 0.000 2.742 542 M HN 0.578 nan 8.290 nan 0.000 0.557 543 A N 0.558 123.328 122.820 -0.084 0.000 2.351 543 A HA 0.659 4.979 4.320 -0.000 0.000 0.257 543 A C 0.863 178.397 177.584 -0.082 0.000 1.087 543 A CA 0.446 52.438 52.037 -0.075 0.000 0.798 543 A CB 0.386 19.351 19.000 -0.059 0.000 1.033 543 A HN 0.533 nan 8.150 nan 0.000 0.488 544 T N -1.215 113.297 114.554 -0.071 0.000 2.847 544 T HA 0.377 4.727 4.350 -0.000 0.000 0.279 544 T C 1.171 175.839 174.700 -0.054 0.000 0.984 544 T CA -0.087 61.974 62.100 -0.065 0.000 0.988 544 T CB 0.794 69.631 68.868 -0.052 0.000 1.040 544 T HN 0.385 nan 8.240 nan 0.000 0.528 545 V N 1.910 121.794 119.914 -0.051 0.000 2.261 545 V HA -0.044 4.076 4.120 -0.000 0.000 0.246 545 V C 2.950 179.011 176.094 -0.055 0.000 1.047 545 V CA 2.519 64.783 62.300 -0.059 0.000 1.015 545 V CB -1.635 30.147 31.823 -0.069 0.000 0.642 545 V HN 1.131 nan 8.190 nan 0.000 0.446 546 G N -0.544 108.233 108.800 -0.039 0.000 2.529 546 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.219 546 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.219 546 G C 1.455 176.339 174.900 -0.026 0.000 1.177 546 G CA 1.263 46.346 45.100 -0.029 0.000 0.773 546 G HN 0.587 nan 8.290 nan 0.000 0.573 547 E N -0.214 119.972 120.200 -0.024 0.000 2.051 547 E HA -0.050 4.300 4.350 -0.000 0.000 0.192 547 E C 2.696 179.278 176.600 -0.031 0.000 0.991 547 E CA 0.985 57.371 56.400 -0.024 0.000 0.799 547 E CB -0.194 29.488 29.700 -0.031 0.000 0.748 547 E HN 0.436 nan 8.360 nan 0.000 0.449 548 M N 0.426 120.003 119.600 -0.039 0.000 2.159 548 M HA -0.158 4.322 4.480 -0.000 0.000 0.263 548 M C 2.366 178.653 176.300 -0.022 0.000 1.063 548 M CA 1.136 56.412 55.300 -0.041 0.000 1.110 548 M CB -0.119 32.451 32.600 -0.050 0.000 1.374 548 M HN 0.001 nan 8.290 nan 0.000 0.411 549 S N 0.377 116.076 115.700 -0.003 0.000 2.368 549 S HA -0.125 4.345 4.470 -0.000 0.000 0.224 549 S C 1.390 176.041 174.600 0.085 0.000 1.029 549 S CA 1.197 59.438 58.200 0.069 0.000 0.988 549 S CB -0.363 62.818 63.200 -0.031 0.000 0.838 549 S HN 0.428 nan 8.310 nan 0.000 0.462 550 D N 1.926 122.334 120.400 0.014 0.000 2.117 550 D HA 0.042 4.682 4.640 -0.000 0.000 0.198 550 D C 2.188 178.481 176.300 -0.012 0.000 0.982 550 D CA 1.130 55.139 54.000 0.016 0.000 0.828 550 D CB -0.561 40.242 40.800 0.004 0.000 0.967 550 D HN 0.355 nan 8.370 nan 0.000 0.464 551 A N 0.986 123.782 122.820 -0.040 0.000 1.892 551 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 551 A C 2.396 179.879 177.584 -0.168 0.000 1.188 551 A CA 1.241 53.228 52.037 -0.084 0.000 0.631 551 A CB -0.926 18.029 19.000 -0.075 0.000 0.822 551 A HN 0.233 nan 8.150 nan 0.000 0.447 552 L N -1.095 119.997 121.223 -0.219 0.000 2.046 552 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 552 L C 2.666 179.270 176.870 -0.444 0.000 1.077 552 L CA 1.825 56.373 54.840 -0.486 0.000 0.747 552 L CB -0.563 41.224 42.059 -0.455 0.000 0.896 552 L HN 0.535 nan 8.230 nan 0.000 0.432 553 E N 0.529 120.720 120.200 -0.015 0.000 2.153 553 E HA -0.247 4.103 4.350 -0.000 0.000 0.194 553 E C 2.116 178.740 176.600 0.039 0.000 0.988 553 E CA 1.028 57.528 56.400 0.167 0.000 0.811 553 E CB 0.144 29.966 29.700 0.204 0.000 0.746 553 E HN 0.372 nan 8.360 nan 0.000 0.466 554 K N -0.314 120.060 120.400 -0.042 0.000 2.113 554 K HA -0.167 4.153 4.320 -0.000 0.000 0.208 554 K C 1.956 178.508 176.600 -0.081 0.000 1.047 554 K CA 1.526 57.782 56.287 -0.052 0.000 0.928 554 K CB 0.108 32.565 32.500 -0.071 0.000 0.716 554 K HN 0.050 nan 8.250 nan 0.000 0.446 555 V N -0.375 119.419 119.914 -0.201 0.000 2.685 555 V HA -0.070 4.050 4.120 -0.000 0.000 0.244 555 V C 1.456 177.565 176.094 0.025 0.000 1.054 555 V CA 1.105 63.307 62.300 -0.163 0.000 1.076 555 V CB -0.198 31.420 31.823 -0.342 0.000 0.725 555 V HN 0.134 nan 8.190 nan 0.000 0.467 556 F N 0.920 120.840 119.950 -0.050 0.000 2.619 556 F HA 0.551 5.078 4.527 -0.000 0.000 0.293 556 F C 1.559 177.416 175.800 0.095 0.000 1.119 556 F CA 0.150 58.142 58.000 -0.013 0.000 1.445 556 F CB -0.984 37.941 39.000 -0.124 0.000 1.119 556 F HN 0.244 nan 8.300 nan 0.000 0.573 557 G N 1.106 110.085 108.800 0.298 0.000 2.787 557 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.685 557 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.685 557 G C -0.402 174.685 174.900 0.312 0.000 1.437 557 G CA -0.885 44.359 45.100 0.241 0.000 0.872 557 G HN 0.334 nan 8.290 nan 0.000 0.566 558 R N -0.462 120.165 120.500 0.212 0.000 2.486 558 R HA 0.563 4.903 4.340 -0.000 0.000 0.286 558 R C -0.050 176.389 176.300 0.232 0.000 0.999 558 R CA -0.741 55.470 56.100 0.184 0.000 0.993 558 R CB 0.865 31.231 30.300 0.109 0.000 1.084 558 R HN 0.642 nan 8.270 nan 0.000 0.487 559 Y N 0.872 121.249 120.300 0.128 0.000 2.304 559 Y HA 0.234 4.784 4.550 -0.000 0.000 0.327 559 Y C -0.537 175.445 175.900 0.137 0.000 1.209 559 Y CA 0.321 58.475 58.100 0.090 0.000 1.299 559 Y CB 1.466 39.944 38.460 0.029 0.000 1.249 559 Y HN 0.427 nan 8.280 nan 0.000 0.519 560 T N 5.620 119.917 114.554 -0.429 0.000 2.840 560 T HA 0.684 5.033 4.350 -0.000 0.000 0.287 560 T C -0.610 173.645 174.700 -0.742 0.000 0.991 560 T CA -0.522 61.388 62.100 -0.318 0.000 0.964 560 T CB 0.755 69.541 68.868 -0.137 0.000 0.954 560 T HN 0.860 nan 8.240 nan 0.000 0.438 561 A N 2.972 125.549 122.820 -0.405 0.000 2.287 561 A HA 0.612 4.932 4.320 -0.000 0.000 0.273 561 A C 0.242 177.739 177.584 -0.145 0.000 1.091 561 A CA -0.587 51.288 52.037 -0.270 0.000 0.817 561 A CB 0.372 19.443 19.000 0.119 0.000 1.069 561 A HN 0.805 nan 8.150 nan 0.000 0.492 562 Q N 0.984 120.733 119.800 -0.085 0.000 2.278 562 Q HA 0.490 4.830 4.340 -0.000 0.000 0.257 562 Q C -1.075 174.915 176.000 -0.017 0.000 0.928 562 Q CA -0.591 55.181 55.803 -0.051 0.000 0.932 562 Q CB 0.793 29.502 28.738 -0.048 0.000 1.221 562 Q HN 0.527 nan 8.270 nan 0.000 0.434 563 I N 4.143 124.701 120.570 -0.020 0.000 2.441 563 I HA 0.330 4.500 4.170 -0.000 0.000 0.287 563 I C 0.107 176.217 176.117 -0.011 0.000 1.049 563 I CA 0.036 61.328 61.300 -0.014 0.000 1.381 563 I CB 0.698 38.684 38.000 -0.024 0.000 1.409 563 I HN 0.782 nan 8.210 nan 0.000 0.523 564 R N 3.797 124.294 120.500 -0.006 0.000 2.538 564 R HA 0.560 4.900 4.340 -0.000 0.000 0.292 564 R C -0.899 175.397 176.300 -0.005 0.000 1.008 564 R CA -0.636 55.461 56.100 -0.005 0.000 0.896 564 R CB 2.432 32.730 30.300 -0.003 0.000 1.187 564 R HN 0.530 nan 8.270 nan 0.000 0.440 565 T N 3.846 118.397 114.554 -0.006 0.000 2.829 565 T HA 0.412 4.761 4.350 -0.000 0.000 0.280 565 T C 0.656 175.356 174.700 0.000 0.000 0.999 565 T CA -0.785 61.311 62.100 -0.007 0.000 0.983 565 T CB 1.098 69.959 68.868 -0.012 0.000 0.968 565 T HN 0.514 nan 8.240 nan 0.000 0.446 566 I N 0.577 121.148 120.570 0.003 0.000 3.269 566 I HA 0.685 4.855 4.170 -0.000 0.000 0.287 566 I C -0.051 176.076 176.117 0.017 0.000 1.152 566 I CA -0.465 60.842 61.300 0.010 0.000 1.263 566 I CB 0.688 38.696 38.000 0.013 0.000 1.439 566 I HN 0.632 nan 8.210 nan 0.000 0.637 567 S N 0.423 116.138 115.700 0.024 0.000 2.541 567 S HA 0.645 5.115 4.470 -0.000 0.000 0.271 567 S C 0.229 174.853 174.600 0.040 0.000 1.133 567 S CA -0.280 57.940 58.200 0.033 0.000 0.876 567 S CB 1.232 64.449 63.200 0.029 0.000 1.105 567 S HN 1.702 nan 8.310 nan 0.000 0.470 568 G N 0.304 109.137 108.800 0.055 0.000 2.166 568 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.260 568 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.260 568 G C 0.566 175.503 174.900 0.062 0.000 0.986 568 G CA 0.479 45.615 45.100 0.060 0.000 0.683 568 G HN 1.006 nan 8.290 nan 0.000 0.527 569 V N -0.873 119.085 119.914 0.073 0.000 2.426 569 V HA -0.011 4.109 4.120 -0.000 0.000 0.242 569 V C 2.043 178.188 176.094 0.085 0.000 1.036 569 V CA 2.112 64.449 62.300 0.062 0.000 1.044 569 V CB -0.792 31.061 31.823 0.051 0.000 0.688 569 V HN 0.485 nan 8.190 nan 0.000 0.462 570 Y N 2.277 122.583 120.300 0.011 0.000 2.089 570 Y HA -0.289 4.261 4.550 -0.000 0.000 0.282 570 Y C 2.954 178.867 175.900 0.021 0.000 1.139 570 Y CA 2.232 60.342 58.100 0.017 0.000 1.123 570 Y CB -0.440 38.033 38.460 0.022 0.000 0.980 570 Y HN 0.345 nan 8.280 nan 0.000 0.493 571 S N -0.273 115.563 115.700 0.227 0.000 2.359 571 S HA -0.240 4.230 4.470 -0.000 0.000 0.224 571 S C 2.061 176.668 174.600 0.012 0.000 1.035 571 S CA 1.670 59.944 58.200 0.122 0.000 1.018 571 S CB -0.870 62.419 63.200 0.147 0.000 0.876 571 S HN 0.331 nan 8.310 nan 0.000 0.448 572 K N 0.955 121.365 120.400 0.016 0.000 2.063 572 K HA -0.066 4.254 4.320 -0.000 0.000 0.208 572 K C 2.243 178.820 176.600 -0.038 0.000 1.048 572 K CA 1.518 57.801 56.287 -0.006 0.000 0.928 572 K CB -1.041 31.463 32.500 0.006 0.000 0.713 572 K HN 0.746 nan 8.250 nan 0.000 0.442 573 E N 0.595 120.754 120.200 -0.068 0.000 2.033 573 E HA -0.140 4.210 4.350 -0.000 0.000 0.199 573 E C 0.231 176.771 176.600 -0.100 0.000 1.011 573 E CA 1.608 57.955 56.400 -0.089 0.000 0.815 573 E CB -0.089 29.540 29.700 -0.118 0.000 0.755 573 E HN 0.189 nan 8.360 nan 0.000 0.451 574 V N 2.240 122.064 119.914 -0.150 0.000 2.284 574 V HA 0.254 4.374 4.120 -0.000 0.000 0.274 574 V C -0.421 175.628 176.094 -0.074 0.000 1.023 574 V CA -0.728 61.511 62.300 -0.103 0.000 0.808 574 V CB 1.036 32.796 31.823 -0.104 0.000 1.035 574 V HN 0.105 nan 8.190 nan 0.000 0.445 575 K N 3.004 123.380 120.400 -0.041 0.000 2.276 575 K HA 0.286 4.606 4.320 -0.000 0.000 0.259 575 K C 0.826 177.420 176.600 -0.011 0.000 1.001 575 K CA -0.189 56.086 56.287 -0.020 0.000 0.927 575 K CB 0.082 32.577 32.500 -0.010 0.000 0.969 575 K HN 0.583 nan 8.250 nan 0.000 0.490 576 N N 0.132 118.832 118.700 -0.000 0.000 2.725 576 N HA -0.177 4.563 4.740 -0.000 0.000 0.251 576 N C -1.047 174.467 175.510 0.008 0.000 1.031 576 N CA 0.895 53.948 53.050 0.006 0.000 0.720 576 N CB -1.492 36.997 38.487 0.004 0.000 0.930 576 N HN 0.570 nan 8.380 nan 0.000 0.543 577 T N 0.634 115.195 114.554 0.011 0.000 2.889 577 T HA 0.266 4.615 4.350 -0.000 0.000 0.291 577 T C -0.898 173.816 174.700 0.024 0.000 0.995 577 T CA -1.360 60.750 62.100 0.017 0.000 1.092 577 T CB 1.609 70.489 68.868 0.020 0.000 0.954 577 T HN -0.008 nan 8.240 nan 0.000 0.506 578 P HA -0.094 nan 4.420 nan 0.000 0.214 578 P C 1.057 178.374 177.300 0.029 0.000 1.163 578 P CA 1.193 64.307 63.100 0.023 0.000 0.889 578 P CB 0.280 31.993 31.700 0.021 0.000 0.790 579 E N -0.844 119.378 120.200 0.037 0.000 2.152 579 E HA -0.071 4.278 4.350 -0.000 0.000 0.192 579 E C 2.034 178.664 176.600 0.050 0.000 0.983 579 E CA 0.509 56.935 56.400 0.043 0.000 0.818 579 E CB -0.987 28.744 29.700 0.053 0.000 0.758 579 E HN -0.008 nan 8.360 nan 0.000 0.467 580 V N 1.248 121.198 119.914 0.061 0.000 2.295 580 V HA -0.303 3.817 4.120 -0.000 0.000 0.246 580 V C 2.562 178.682 176.094 0.044 0.000 1.049 580 V CA 2.472 64.814 62.300 0.071 0.000 1.024 580 V CB -1.170 30.704 31.823 0.084 0.000 0.648 580 V HN 0.500 nan 8.190 nan 0.000 0.447 581 E N -0.068 120.151 120.200 0.032 0.000 2.077 581 E HA -0.318 4.032 4.350 -0.000 0.000 0.193 581 E C 2.133 178.741 176.600 0.013 0.000 0.989 581 E CA 1.603 58.015 56.400 0.020 0.000 0.800 581 E CB -0.659 nan 29.700 nan 0.000 0.746 581 E HN 0.782 nan 8.360 nan 0.000 0.452 582 E N -0.421 119.789 120.200 0.016 0.000 2.077 582 E HA -0.069 4.281 4.350 -0.000 0.000 0.193 582 E C 2.335 178.937 176.600 0.002 0.000 0.989 582 E CA 1.023 57.429 56.400 0.011 0.000 0.800 582 E CB -0.219 29.491 29.700 0.016 0.000 0.746 582 E HN 0.493 nan 8.360 nan 0.000 0.452 583 A N 0.897 123.720 122.820 0.004 0.000 1.968 583 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 583 A C 2.098 179.657 177.584 -0.041 0.000 1.169 583 A CA 0.975 53.003 52.037 -0.015 0.000 0.638 583 A CB -0.284 18.715 19.000 -0.002 0.000 0.812 583 A HN 0.145 nan 8.150 nan 0.000 0.446 584 R N -0.267 120.221 120.500 -0.021 0.000 2.073 584 R HA -0.120 4.220 4.340 -0.000 0.000 0.234 584 R C 2.141 178.415 176.300 -0.044 0.000 1.134 584 R CA 1.604 57.683 56.100 -0.035 0.000 0.952 584 R CB -0.318 29.979 30.300 -0.006 0.000 0.850 584 R HN 0.654 nan 8.270 nan 0.000 0.433 585 E N 0.696 120.881 120.200 -0.024 0.000 2.058 585 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 585 E C 2.066 178.651 176.600 -0.025 0.000 0.997 585 E CA 1.217 57.605 56.400 -0.020 0.000 0.801 585 E CB -0.121 29.574 29.700 -0.008 0.000 0.746 585 E HN 0.262 nan 8.360 nan 0.000 0.450 586 L N 0.402 121.607 121.223 -0.029 0.000 2.079 586 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 586 L C 2.488 179.328 176.870 -0.049 0.000 1.081 586 L CA 0.720 55.544 54.840 -0.027 0.000 0.752 586 L CB -0.443 41.602 42.059 -0.024 0.000 0.896 586 L HN 0.070 nan 8.230 nan 0.000 0.433 587 V N -0.274 119.559 119.914 -0.136 0.000 2.343 587 V HA -0.269 3.851 4.120 -0.000 0.000 0.247 587 V C 2.430 178.475 176.094 -0.083 0.000 1.051 587 V CA 1.758 63.916 62.300 -0.237 0.000 1.036 587 V CB -0.404 31.174 31.823 -0.409 0.000 0.654 587 V HN 0.451 nan 8.190 nan 0.000 0.451 588 E N -0.316 119.851 120.200 -0.054 0.000 2.077 588 E HA -0.269 4.081 4.350 -0.000 0.000 0.193 588 E C 2.270 178.870 176.600 0.001 0.000 0.989 588 E CA 1.402 57.790 56.400 -0.019 0.000 0.800 588 E CB -0.109 29.578 29.700 -0.022 0.000 0.746 588 E HN 0.650 nan 8.360 nan 0.000 0.452 589 E N -0.005 120.196 120.200 0.002 0.000 2.085 589 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 589 E C 1.762 178.364 176.600 0.003 0.000 0.994 589 E CA 0.953 57.353 56.400 -0.001 0.000 0.801 589 E CB -0.147 29.553 29.700 -0.001 0.000 0.743 589 E HN 0.176 nan 8.360 nan 0.000 0.453 590 F N 1.683 121.565 119.950 -0.113 0.000 2.095 590 F HA -0.227 4.300 4.527 -0.000 0.000 0.298 590 F C 2.269 178.005 175.800 -0.108 0.000 1.104 590 F CA 2.060 59.980 58.000 -0.132 0.000 1.232 590 F CB -0.151 38.729 39.000 -0.201 0.000 0.987 590 F HN -0.025 nan 8.300 nan 0.000 0.475 591 E N -0.289 119.989 120.200 0.130 0.000 2.058 591 E HA -0.276 4.074 4.350 -0.000 0.000 0.194 591 E C 2.163 178.743 176.600 -0.034 0.000 0.997 591 E CA 1.771 58.211 56.400 0.067 0.000 0.801 591 E CB -0.206 29.532 29.700 0.064 0.000 0.746 591 E HN 0.603 nan 8.360 nan 0.000 0.450 592 Q N -0.271 119.502 119.800 -0.045 0.000 2.084 592 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 592 Q C 2.216 178.156 176.000 -0.099 0.000 0.978 592 Q CA 1.357 57.125 55.803 -0.058 0.000 0.844 592 Q CB -0.148 28.563 28.738 -0.045 0.000 0.898 592 Q HN 0.347 nan 8.270 nan 0.000 0.426 593 A N 1.059 123.784 122.820 -0.159 0.000 1.970 593 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 593 A C 1.736 179.166 177.584 -0.257 0.000 1.170 593 A CA 0.970 52.888 52.037 -0.198 0.000 0.645 593 A CB 0.133 19.000 19.000 -0.222 0.000 0.816 593 A HN 0.132 nan 8.150 nan 0.000 0.447 594 E N -1.950 118.026 120.200 -0.373 0.000 2.447 594 E HA 0.238 4.588 4.350 -0.000 0.000 0.204 594 E C 1.254 177.764 176.600 -0.151 0.000 0.977 594 E CA 0.764 56.947 56.400 -0.362 0.000 0.950 594 E CB 0.248 29.475 29.700 -0.788 0.000 0.975 594 E HN 0.753 nan 8.360 nan 0.000 0.496 595 G N 2.255 110.999 108.800 -0.094 0.000 2.176 595 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.232 595 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.232 595 G C 0.314 175.234 174.900 0.033 0.000 0.986 595 G CA 0.279 45.367 45.100 -0.021 0.000 0.643 595 G HN 0.292 nan 8.290 nan 0.000 0.522 596 R N -1.117 119.435 120.500 0.087 0.000 2.709 596 R HA 0.553 4.893 4.340 -0.000 0.000 0.270 596 R C -0.492 175.974 176.300 0.276 0.000 1.038 596 R CA -1.100 55.091 56.100 0.152 0.000 0.872 596 R CB 0.761 31.161 30.300 0.167 0.000 1.259 596 R HN 0.160 nan 8.270 nan 0.000 0.473 597 R N 1.406 122.020 120.500 0.190 0.000 2.756 597 R HA 0.142 4.482 4.340 -0.000 0.000 0.264 597 R C -1.908 174.470 176.300 0.128 0.000 1.026 597 R CA -0.998 55.171 56.100 0.114 0.000 1.121 597 R CB 0.274 30.581 30.300 0.012 0.000 0.999 597 R HN 0.424 nan 8.270 nan 0.000 0.449 598 P HA 0.014 nan 4.420 nan 0.000 0.267 598 P C -1.036 176.295 177.300 0.051 0.000 1.209 598 P CA 0.279 63.012 63.100 -0.612 0.000 0.763 598 P CB 0.630 31.390 31.700 -1.567 0.000 0.816 599 R N 3.899 124.623 120.500 0.374 0.000 2.338 599 R HA 0.646 4.986 4.340 -0.000 0.000 0.317 599 R C -0.666 175.765 176.300 0.218 0.000 0.968 599 R CA -0.874 55.361 56.100 0.225 0.000 0.849 599 R CB 0.652 30.990 30.300 0.063 0.000 1.128 599 R HN 0.535 nan 8.270 nan 0.000 0.448 600 I N 5.177 125.859 120.570 0.187 0.000 2.545 600 I HA 0.310 4.480 4.170 -0.000 0.000 0.292 600 I C -1.540 174.603 176.117 0.042 0.000 1.040 600 I CA -1.352 60.014 61.300 0.111 0.000 1.068 600 I CB 1.701 39.756 38.000 0.091 0.000 1.251 600 I HN 0.596 nan 8.210 nan 0.000 0.424 601 L N 8.429 129.666 121.223 0.023 0.000 2.257 601 L HA 0.480 4.820 4.340 -0.000 0.000 0.290 601 L C -1.383 175.469 176.870 -0.029 0.000 1.044 601 L CA -0.026 54.812 54.840 -0.003 0.000 0.810 601 L CB 0.941 43.001 42.059 0.002 0.000 1.193 601 L HN 0.502 nan 8.230 nan 0.000 0.425 602 L N 6.452 127.642 121.223 -0.056 0.000 2.268 602 L HA 0.617 4.957 4.340 -0.000 0.000 0.289 602 L C 0.270 177.103 176.870 -0.063 0.000 1.064 602 L CA -0.351 54.437 54.840 -0.086 0.000 0.824 602 L CB 0.736 42.716 42.059 -0.131 0.000 1.202 602 L HN 0.833 nan 8.230 nan 0.000 0.433 603 A N 4.632 127.424 122.820 -0.047 0.000 2.324 603 A HA 0.732 5.051 4.320 -0.000 0.000 0.330 603 A C -0.524 177.043 177.584 -0.029 0.000 1.165 603 A CA -0.751 51.266 52.037 -0.032 0.000 0.813 603 A CB 1.111 20.103 19.000 -0.014 0.000 1.197 603 A HN 0.460 nan 8.150 nan 0.000 0.484 604 K N 2.706 123.086 120.400 -0.034 0.000 2.449 604 K HA 0.477 4.797 4.320 -0.000 0.000 0.257 604 K C -0.920 175.677 176.600 -0.006 0.000 0.989 604 K CA 0.149 56.419 56.287 -0.029 0.000 0.916 604 K CB 1.276 33.729 32.500 -0.079 0.000 1.136 604 K HN 0.809 nan 8.250 nan 0.000 0.439 605 M N 0.682 120.299 119.600 0.028 0.000 2.537 605 M HA 0.503 4.983 4.480 -0.000 0.000 0.324 605 M C 0.737 177.083 176.300 0.077 0.000 1.187 605 M CA -0.215 55.113 55.300 0.047 0.000 0.993 605 M CB 1.891 34.516 32.600 0.041 0.000 1.666 605 M HN 0.822 nan 8.290 nan 0.000 0.461 606 G N 1.293 110.144 108.800 0.085 0.000 2.584 606 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.229 606 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.229 606 G C -0.064 174.936 174.900 0.166 0.000 1.320 606 G CA -0.519 44.636 45.100 0.091 0.000 0.891 606 G HN 0.634 nan 8.290 nan 0.000 0.573 607 Q N 0.325 120.219 119.800 0.156 0.000 2.408 607 Q HA 0.088 4.428 4.340 -0.000 0.000 0.205 607 Q C 0.999 177.168 176.000 0.282 0.000 0.919 607 Q CA 0.551 56.489 55.803 0.226 0.000 0.932 607 Q CB -0.068 28.722 28.738 0.087 0.000 1.058 607 Q HN 0.680 nan 8.270 nan 0.000 0.517 608 D N 1.124 121.647 120.400 0.205 0.000 3.061 608 D HA -0.118 4.522 4.640 -0.000 0.000 0.226 608 D C 0.772 177.166 176.300 0.157 0.000 1.168 608 D CA 0.682 54.801 54.000 0.198 0.000 0.822 608 D CB 0.171 41.081 40.800 0.184 0.000 1.152 608 D HN 0.277 nan 8.370 nan 0.000 0.555 609 G N 2.789 111.631 108.800 0.071 0.000 3.393 609 G HA2 0.006 3.966 3.960 -0.000 0.000 0.255 609 G HA3 0.006 3.966 3.960 -0.000 0.000 0.255 609 G C 0.169 175.013 174.900 -0.094 0.000 1.097 609 G CA -0.351 44.740 45.100 -0.014 0.000 0.780 609 G HN 0.560 nan 8.290 nan 0.000 0.540 610 H N 0.962 120.044 119.070 0.019 0.000 2.848 610 H HA 0.288 4.844 4.556 -0.000 0.000 0.341 610 H C 0.518 175.839 175.328 -0.012 0.000 1.060 610 H CA 0.863 56.921 56.048 0.016 0.000 1.444 610 H CB 1.492 31.276 29.762 0.036 0.000 1.446 610 H HN 0.346 nan 8.280 nan 0.000 0.583 611 D N 1.184 121.638 120.400 0.090 0.000 2.497 611 D HA 0.000 4.640 4.640 -0.000 0.000 0.256 611 D C 1.597 177.905 176.300 0.014 0.000 1.273 611 D CA -0.360 53.654 54.000 0.025 0.000 0.812 611 D CB -0.191 40.598 40.800 -0.017 0.000 1.190 611 D HN 0.401 nan 8.370 nan 0.000 0.524 612 R N 1.294 121.818 120.500 0.039 0.000 2.094 612 R HA -0.099 4.241 4.340 -0.000 0.000 0.239 612 R C 2.183 178.485 176.300 0.002 0.000 1.137 612 R CA 2.360 58.469 56.100 0.016 0.000 0.943 612 R CB -0.756 29.563 30.300 0.031 0.000 0.850 612 R HN 0.223 nan 8.270 nan 0.000 0.433 613 G N 0.246 109.053 108.800 0.012 0.000 2.459 613 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.217 613 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.217 613 G C 1.311 176.159 174.900 -0.086 0.000 1.183 613 G CA 0.852 45.935 45.100 -0.027 0.000 0.776 613 G HN 0.470 nan 8.290 nan 0.000 0.552 614 Q N -0.083 119.672 119.800 -0.076 0.000 2.061 614 Q HA -0.154 4.186 4.340 -0.000 0.000 0.204 614 Q C 2.498 178.425 176.000 -0.122 0.000 0.984 614 Q CA 1.377 57.114 55.803 -0.110 0.000 0.846 614 Q CB -0.089 28.603 28.738 -0.077 0.000 0.902 614 Q HN 0.235 nan 8.270 nan 0.000 0.421 615 K N 0.045 120.396 120.400 -0.082 0.000 2.057 615 K HA -0.076 4.244 4.320 -0.000 0.000 0.206 615 K C 2.043 178.590 176.600 -0.088 0.000 1.050 615 K CA 0.882 57.125 56.287 -0.073 0.000 0.935 615 K CB -0.794 31.680 32.500 -0.043 0.000 0.715 615 K HN 0.169 nan 8.250 nan 0.000 0.439 616 V N 1.768 121.628 119.914 -0.090 0.000 2.548 616 V HA -0.146 3.974 4.120 -0.000 0.000 0.249 616 V C 2.082 178.049 176.094 -0.211 0.000 1.055 616 V CA 0.859 63.099 62.300 -0.099 0.000 1.065 616 V CB -0.198 31.600 31.823 -0.040 0.000 0.681 616 V HN 0.105 nan 8.190 nan 0.000 0.462 617 I N 0.836 121.241 120.570 -0.276 0.000 2.142 617 I HA -0.201 3.969 4.170 -0.000 0.000 0.240 617 I C 2.828 178.697 176.117 -0.414 0.000 1.078 617 I CA 1.990 63.007 61.300 -0.472 0.000 1.343 617 I CB -1.845 35.787 38.000 -0.613 0.000 1.046 617 I HN 0.382 nan 8.210 nan 0.000 0.405 618 A N 0.056 122.712 122.820 -0.273 0.000 1.892 618 A HA -0.288 4.032 4.320 -0.000 0.000 0.218 618 A C 2.543 180.072 177.584 -0.092 0.000 1.188 618 A CA 2.873 54.812 52.037 -0.164 0.000 0.631 618 A CB -1.242 17.689 19.000 -0.114 0.000 0.822 618 A HN 0.431 nan 8.150 nan 0.000 0.447 619 T N -0.985 113.518 114.554 -0.085 0.000 2.812 619 T HA 0.089 4.439 4.350 -0.000 0.000 0.264 619 T C 1.988 176.663 174.700 -0.041 0.000 1.042 619 T CA 1.780 63.859 62.100 -0.034 0.000 1.140 619 T CB -0.415 68.449 68.868 -0.006 0.000 0.870 619 T HN 0.545 nan 8.240 nan 0.000 0.445 620 A N -0.325 122.394 122.820 -0.168 0.000 1.969 620 A HA 0.030 4.350 4.320 -0.000 0.000 0.218 620 A C 2.028 179.583 177.584 -0.048 0.000 1.169 620 A CA 1.148 53.004 52.037 -0.301 0.000 0.635 620 A CB -0.827 17.608 19.000 -0.943 0.000 0.810 620 A HN 0.597 nan 8.150 nan 0.000 0.445 621 Y N -0.211 119.939 120.300 -0.250 0.000 2.263 621 Y HA 0.035 4.585 4.550 -0.000 0.000 0.292 621 Y C 2.861 178.779 175.900 0.029 0.000 1.130 621 Y CA 0.138 58.109 58.100 -0.214 0.000 1.179 621 Y CB -0.867 37.261 38.460 -0.553 0.000 0.998 621 Y HN 0.333 nan 8.280 nan 0.000 0.532 622 A N -0.085 122.820 122.820 0.142 0.000 1.930 622 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 622 A C 1.837 179.484 177.584 0.106 0.000 1.175 622 A CA 1.857 53.966 52.037 0.121 0.000 0.627 622 A CB -0.607 18.437 19.000 0.072 0.000 0.815 622 A HN 0.296 nan 8.150 nan 0.000 0.443 623 D N -0.139 120.318 120.400 0.096 0.000 2.309 623 D HA -0.059 4.581 4.640 -0.000 0.000 0.212 623 D C 1.493 177.853 176.300 0.100 0.000 0.968 623 D CA 0.819 54.880 54.000 0.101 0.000 0.882 623 D CB -0.146 40.737 40.800 0.139 0.000 0.918 623 D HN 0.493 nan 8.370 nan 0.000 0.503 624 L N -1.409 119.881 121.223 0.111 0.000 2.585 624 L HA 0.281 4.621 4.340 -0.000 0.000 0.226 624 L C 1.476 178.371 176.870 0.041 0.000 1.113 624 L CA 0.359 55.251 54.840 0.087 0.000 0.876 624 L CB 0.365 42.479 42.059 0.091 0.000 1.072 624 L HN 0.117 nan 8.230 nan 0.000 0.468 625 G N -0.787 108.049 108.800 0.060 0.000 2.192 625 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.193 625 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.193 625 G C 0.046 174.916 174.900 -0.050 0.000 0.999 625 G CA -0.721 44.367 45.100 -0.020 0.000 0.659 625 G HN 0.066 nan 8.290 nan 0.000 0.503 626 F N 1.719 121.623 119.950 -0.077 0.000 2.410 626 F HA 0.471 4.998 4.527 -0.000 0.000 0.334 626 F C 0.641 176.433 175.800 -0.015 0.000 1.134 626 F CA -0.228 57.728 58.000 -0.073 0.000 1.227 626 F CB 0.706 39.666 39.000 -0.066 0.000 1.194 626 F HN -0.106 nan 8.300 nan 0.000 0.571 627 D N 1.928 122.438 120.400 0.182 0.000 2.316 627 D HA 0.280 4.920 4.640 -0.000 0.000 0.245 627 D C -0.734 175.655 176.300 0.148 0.000 1.171 627 D CA 0.130 54.208 54.000 0.131 0.000 0.856 627 D CB 1.404 42.258 40.800 0.090 0.000 1.090 627 D HN 0.034 nan 8.370 nan 0.000 0.476 628 V N 3.935 123.912 119.914 0.106 0.000 2.384 628 V HA 0.191 4.311 4.120 -0.000 0.000 0.287 628 V C 0.099 176.209 176.094 0.027 0.000 1.020 628 V CA -0.803 61.536 62.300 0.064 0.000 0.850 628 V CB 1.891 33.738 31.823 0.040 0.000 0.987 628 V HN 0.363 nan 8.190 nan 0.000 0.436 629 D N 3.559 123.967 120.400 0.013 0.000 2.233 629 D HA 0.358 4.998 4.640 -0.000 0.000 0.240 629 D C -0.563 175.725 176.300 -0.020 0.000 1.074 629 D CA -0.177 53.822 54.000 -0.002 0.000 0.838 629 D CB 2.668 43.467 40.800 -0.001 0.000 1.124 629 D HN 0.241 nan 8.370 nan 0.000 0.475 630 V N 2.582 122.481 119.914 -0.025 0.000 2.334 630 V HA 0.328 4.448 4.120 -0.000 0.000 0.267 630 V C 1.107 177.176 176.094 -0.041 0.000 1.040 630 V CA -0.620 61.655 62.300 -0.041 0.000 0.866 630 V CB 1.159 32.957 31.823 -0.041 0.000 1.019 630 V HN 0.567 nan 8.190 nan 0.000 0.468 631 G N 7.005 115.777 108.800 -0.046 0.000 2.594 631 G HA2 0.438 4.398 3.960 -0.000 0.000 0.243 631 G HA3 0.438 4.398 3.960 -0.000 0.000 0.243 631 G C -2.361 172.501 174.900 -0.063 0.000 1.229 631 G CA -0.761 44.312 45.100 -0.045 0.000 0.843 631 G HN 0.558 nan 8.290 nan 0.000 0.578 632 P HA 0.263 nan 4.420 nan 0.000 0.276 632 P C 0.157 177.357 177.300 -0.167 0.000 1.244 632 P CA -0.510 62.534 63.100 -0.094 0.000 0.801 632 P CB 1.326 32.994 31.700 -0.055 0.000 1.006 633 L N 1.377 122.404 121.223 -0.327 0.000 2.475 633 L HA 0.159 4.499 4.340 -0.000 0.000 0.250 633 L C 0.750 177.304 176.870 -0.527 0.000 1.224 633 L CA -0.209 54.263 54.840 -0.613 0.000 0.821 633 L CB -0.705 40.576 42.059 -1.296 0.000 1.141 633 L HN 0.367 nan 8.230 nan 0.000 0.494 634 F N -1.744 118.220 119.950 0.024 0.000 2.988 634 F HA -0.239 4.288 4.527 -0.000 0.000 0.287 634 F C 0.678 176.486 175.800 0.014 0.000 0.781 634 F CA 0.101 58.114 58.000 0.021 0.000 1.221 634 F CB -2.645 36.377 39.000 0.036 0.000 1.392 634 F HN 0.519 nan 8.300 nan 0.000 0.425 635 Q N 0.760 120.610 119.800 0.084 0.000 2.364 635 Q HA 0.369 4.709 4.340 -0.000 0.000 0.267 635 Q C 1.092 177.124 176.000 0.054 0.000 0.999 635 Q CA 0.675 56.513 55.803 0.058 0.000 0.886 635 Q CB 1.077 29.827 28.738 0.021 0.000 1.243 635 Q HN 0.452 nan 8.270 nan 0.000 0.415 636 T N -0.999 113.578 114.554 0.038 0.000 2.816 636 T HA 0.201 4.551 4.350 -0.000 0.000 0.282 636 T C -1.967 172.746 174.700 0.021 0.000 0.993 636 T CA -1.784 60.331 62.100 0.024 0.000 0.994 636 T CB 0.663 69.538 68.868 0.012 0.000 1.025 636 T HN 0.293 nan 8.240 nan 0.000 0.529 637 P HA -0.102 nan 4.420 nan 0.000 0.216 637 P C 1.449 178.758 177.300 0.015 0.000 1.150 637 P CA 0.954 64.064 63.100 0.017 0.000 0.837 637 P CB 0.059 31.769 31.700 0.017 0.000 0.786 638 E N 0.274 120.481 120.200 0.012 0.000 2.106 638 E HA -0.205 4.145 4.350 -0.000 0.000 0.192 638 E C 1.618 178.226 176.600 0.012 0.000 0.984 638 E CA 1.056 57.463 56.400 0.011 0.000 0.806 638 E CB -0.120 29.585 29.700 0.009 0.000 0.750 638 E HN 0.321 nan 8.360 nan 0.000 0.458 639 E N -0.286 119.923 120.200 0.014 0.000 2.152 639 E HA -0.095 4.255 4.350 -0.000 0.000 0.192 639 E C 2.062 178.669 176.600 0.012 0.000 0.983 639 E CA 1.418 57.827 56.400 0.014 0.000 0.818 639 E CB -0.003 29.709 29.700 0.020 0.000 0.758 639 E HN 0.174 nan 8.360 nan 0.000 0.467 640 T N 1.076 115.638 114.554 0.012 0.000 2.708 640 T HA -0.164 4.185 4.350 -0.000 0.000 0.266 640 T C 2.063 176.769 174.700 0.010 0.000 1.037 640 T CA 1.277 63.383 62.100 0.009 0.000 1.146 640 T CB -0.274 68.601 68.868 0.011 0.000 0.865 640 T HN 0.265 nan 8.240 nan 0.000 0.435 641 A N 1.768 124.595 122.820 0.012 0.000 1.865 641 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 641 A C 2.282 179.872 177.584 0.010 0.000 1.191 641 A CA 2.044 54.089 52.037 0.012 0.000 0.623 641 A CB -0.688 18.320 19.000 0.013 0.000 0.826 641 A HN 0.444 nan 8.150 nan 0.000 0.444 642 R N -0.575 119.930 120.500 0.009 0.000 2.096 642 R HA -0.246 4.094 4.340 -0.000 0.000 0.240 642 R C 2.454 178.757 176.300 0.005 0.000 1.139 642 R CA 2.127 58.231 56.100 0.007 0.000 0.952 642 R CB -0.366 29.939 30.300 0.008 0.000 0.854 642 R HN 0.721 nan 8.270 nan 0.000 0.436 643 Q N -0.529 119.273 119.800 0.005 0.000 2.119 643 Q HA -0.139 4.201 4.340 -0.000 0.000 0.201 643 Q C 1.914 177.914 176.000 0.001 0.000 0.972 643 Q CA 1.499 57.303 55.803 0.002 0.000 0.847 643 Q CB -0.086 28.652 28.738 -0.000 0.000 0.903 643 Q HN 0.500 nan 8.270 nan 0.000 0.433 644 A N -0.095 122.727 122.820 0.003 0.000 1.877 644 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 644 A C 2.195 179.778 177.584 -0.000 0.000 1.186 644 A CA 1.598 53.638 52.037 0.004 0.000 0.620 644 A CB -0.826 18.181 19.000 0.011 0.000 0.822 644 A HN 0.300 nan 8.150 nan 0.000 0.443 645 V N 0.075 119.990 119.914 0.002 0.000 2.343 645 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 645 V C 2.420 178.512 176.094 -0.004 0.000 1.051 645 V CA 2.288 64.589 62.300 0.001 0.000 1.036 645 V CB -0.813 31.013 31.823 0.005 0.000 0.654 645 V HN 0.633 nan 8.190 nan 0.000 0.451 646 E N 0.034 120.232 120.200 -0.002 0.000 2.153 646 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 646 E C 2.141 178.736 176.600 -0.007 0.000 0.988 646 E CA 1.267 57.664 56.400 -0.004 0.000 0.811 646 E CB -0.231 29.468 29.700 -0.001 0.000 0.746 646 E HN 0.603 nan 8.360 nan 0.000 0.466 647 A N 0.933 123.748 122.820 -0.010 0.000 2.178 647 A HA -0.054 4.266 4.320 -0.000 0.000 0.211 647 A C 0.479 178.045 177.584 -0.030 0.000 1.157 647 A CA 0.561 52.590 52.037 -0.014 0.000 0.780 647 A CB 0.131 19.125 19.000 -0.010 0.000 0.828 647 A HN 0.252 nan 8.150 nan 0.000 0.476 648 D N -0.543 119.836 120.400 -0.034 0.000 2.697 648 D HA -0.127 4.513 4.640 -0.000 0.000 0.238 648 D C 0.192 176.420 176.300 -0.121 0.000 1.152 648 D CA 0.772 54.734 54.000 -0.063 0.000 0.666 648 D CB -1.831 38.934 40.800 -0.059 0.000 1.037 648 D HN 0.772 nan 8.370 nan 0.000 0.423 649 V N -1.868 117.999 119.914 -0.079 0.000 3.133 649 V HA 0.365 4.485 4.120 -0.000 0.000 0.305 649 V C 1.601 177.633 176.094 -0.102 0.000 1.084 649 V CA 0.124 62.374 62.300 -0.083 0.000 1.089 649 V CB 1.174 33.000 31.823 0.006 0.000 1.073 649 V HN 0.303 nan 8.190 nan 0.000 0.477 650 H N 0.827 119.950 119.070 0.088 0.000 2.525 650 H HA 0.521 5.077 4.556 -0.000 0.000 0.275 650 H C 0.430 175.810 175.328 0.088 0.000 0.984 650 H CA 1.141 57.253 56.048 0.106 0.000 1.264 650 H CB 1.080 30.926 29.762 0.139 0.000 1.432 650 H HN 0.502 nan 8.280 nan 0.000 0.549 651 V N 0.544 120.572 119.914 0.189 0.000 2.969 651 V HA 0.303 4.423 4.120 -0.000 0.000 0.304 651 V C -1.473 174.671 176.094 0.083 0.000 1.192 651 V CA -0.920 61.459 62.300 0.131 0.000 0.962 651 V CB 2.221 34.132 31.823 0.148 0.000 1.045 651 V HN -0.158 nan 8.190 nan 0.000 0.428 652 V N 5.689 125.639 119.914 0.059 0.000 2.348 652 V HA 0.575 4.695 4.120 -0.000 0.000 0.270 652 V C 1.017 177.127 176.094 0.027 0.000 1.037 652 V CA 0.318 62.638 62.300 0.033 0.000 0.872 652 V CB 1.148 32.986 31.823 0.026 0.000 1.002 652 V HN 1.088 nan 8.190 nan 0.000 0.464 653 G N 4.629 113.431 108.800 0.003 0.000 2.530 653 G HA2 0.431 4.391 3.960 -0.000 0.000 0.313 653 G HA3 0.431 4.391 3.960 -0.000 0.000 0.313 653 G C -0.249 174.634 174.900 -0.029 0.000 0.971 653 G CA -0.243 44.847 45.100 -0.017 0.000 1.237 653 G HN 0.532 nan 8.290 nan 0.000 0.446 654 V N 1.993 121.905 119.914 -0.002 0.000 2.508 654 V HA 0.274 4.394 4.120 -0.000 0.000 0.281 654 V C 0.775 176.860 176.094 -0.014 0.000 1.041 654 V CA -0.060 62.238 62.300 -0.003 0.000 1.016 654 V CB 1.445 33.277 31.823 0.015 0.000 0.984 654 V HN 0.613 nan 8.190 nan 0.000 0.478 655 S N 3.985 119.671 115.700 -0.024 0.000 2.520 655 S HA 0.434 4.904 4.470 -0.000 0.000 0.324 655 S C -0.260 174.336 174.600 -0.006 0.000 1.069 655 S CA -0.374 57.807 58.200 -0.030 0.000 1.121 655 S CB 0.802 63.969 63.200 -0.055 0.000 0.971 655 S HN 0.812 nan 8.310 nan 0.000 0.463 656 S N 4.773 120.470 115.700 -0.006 0.000 2.640 656 S HA 0.609 5.079 4.470 -0.000 0.000 0.320 656 S C -0.195 174.398 174.600 -0.011 0.000 1.097 656 S CA -0.607 57.607 58.200 0.023 0.000 1.092 656 S CB 0.520 63.752 63.200 0.053 0.000 0.988 656 S HN 0.726 nan 8.310 nan 0.000 0.470 657 L N 4.245 125.460 121.223 -0.014 0.000 3.086 657 L HA 0.506 4.846 4.340 -0.000 0.000 0.274 657 L C 1.611 178.452 176.870 -0.047 0.000 1.184 657 L CA 0.343 55.103 54.840 -0.133 0.000 1.002 657 L CB 0.469 42.263 42.059 -0.443 0.000 1.383 657 L HN 0.730 nan 8.230 nan 0.000 0.582 658 A N -0.543 122.342 122.820 0.108 0.000 2.423 658 A HA 0.560 4.880 4.320 -0.000 0.000 0.246 658 A C 1.657 179.334 177.584 0.155 0.000 1.278 658 A CA 0.450 52.591 52.037 0.174 0.000 0.903 658 A CB -0.426 18.701 19.000 0.212 0.000 0.997 658 A HN 0.408 nan 8.150 nan 0.000 0.510 659 G N -1.533 107.380 108.800 0.188 0.000 2.148 659 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.254 659 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.254 659 G C 0.908 175.861 174.900 0.089 0.000 0.981 659 G CA 0.347 45.576 45.100 0.215 0.000 0.670 659 G HN 1.419 nan 8.290 nan 0.000 0.528 660 G N 0.020 108.885 108.800 0.108 0.000 3.523 660 G HA2 0.430 4.390 3.960 -0.000 0.000 0.270 660 G HA3 0.430 4.390 3.960 -0.000 0.000 0.270 660 G C 1.127 176.023 174.900 -0.006 0.000 1.134 660 G CA 0.825 45.928 45.100 0.006 0.000 0.825 660 G HN 0.794 nan 8.290 nan 0.000 0.534 661 H N 0.083 119.173 119.070 0.034 0.000 2.387 661 H HA 0.006 4.562 4.556 -0.000 0.000 0.299 661 H C 2.072 177.416 175.328 0.027 0.000 1.090 661 H CA 0.485 56.551 56.048 0.030 0.000 1.332 661 H CB -0.476 29.306 29.762 0.033 0.000 1.386 661 H HN 0.337 nan 8.280 nan 0.000 0.516 662 L N 1.373 122.443 121.223 -0.255 0.000 2.141 662 L HA -0.126 4.214 4.340 -0.000 0.000 0.209 662 L C 2.859 179.695 176.870 -0.058 0.000 1.094 662 L CA 1.833 56.596 54.840 -0.127 0.000 0.763 662 L CB -0.473 41.473 42.059 -0.189 0.000 0.908 662 L HN 0.497 nan 8.230 nan 0.000 0.437 663 T N -3.078 111.445 114.554 -0.052 0.000 2.939 663 T HA 0.001 4.351 4.350 -0.000 0.000 0.254 663 T C 1.886 176.587 174.700 0.003 0.000 1.041 663 T CA 0.208 62.297 62.100 -0.020 0.000 1.142 663 T CB -0.429 68.427 68.868 -0.021 0.000 0.874 663 T HN 0.128 nan 8.240 nan 0.000 0.452 664 L N 1.128 122.360 121.223 0.016 0.000 2.012 664 L HA -0.078 4.262 4.340 -0.000 0.000 0.210 664 L C 2.971 179.863 176.870 0.036 0.000 1.073 664 L CA 1.154 56.014 54.840 0.032 0.000 0.748 664 L CB -0.830 41.259 42.059 0.051 0.000 0.891 664 L HN 0.160 nan 8.230 nan 0.000 0.431 665 V N 0.146 120.089 119.914 0.047 0.000 2.261 665 V HA -0.159 3.961 4.120 -0.000 0.000 0.246 665 V C -0.130 175.982 176.094 0.031 0.000 1.047 665 V CA 2.147 64.474 62.300 0.045 0.000 1.015 665 V CB -1.895 29.966 31.823 0.064 0.000 0.642 665 V HN 0.381 nan 8.190 nan 0.000 0.446 666 P HA -0.133 nan 4.420 nan 0.000 0.217 666 P C 1.641 178.951 177.300 0.016 0.000 1.150 666 P CA 2.156 65.268 63.100 0.019 0.000 0.832 666 P CB -0.087 31.622 31.700 0.016 0.000 0.787 667 A N 0.459 123.288 122.820 0.015 0.000 1.908 667 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 667 A C 2.410 180.003 177.584 0.015 0.000 1.181 667 A CA 1.311 53.355 52.037 0.013 0.000 0.627 667 A CB -1.690 17.316 19.000 0.011 0.000 0.818 667 A HN 0.157 nan 8.150 nan 0.000 0.445 668 L N -1.145 120.090 121.223 0.019 0.000 1.989 668 L HA -0.230 4.110 4.340 -0.000 0.000 0.211 668 L C 2.773 179.655 176.870 0.019 0.000 1.071 668 L CA 2.298 57.149 54.840 0.020 0.000 0.749 668 L CB -0.352 41.721 42.059 0.023 0.000 0.890 668 L HN 0.432 nan 8.230 nan 0.000 0.431 669 R N 0.611 121.123 120.500 0.020 0.000 2.094 669 R HA -0.222 4.118 4.340 -0.000 0.000 0.239 669 R C 2.214 178.524 176.300 0.018 0.000 1.137 669 R CA 1.999 58.111 56.100 0.020 0.000 0.943 669 R CB -0.327 29.985 30.300 0.019 0.000 0.850 669 R HN 0.291 nan 8.270 nan 0.000 0.433 670 K N -0.148 120.261 120.400 0.015 0.000 2.057 670 K HA -0.130 4.190 4.320 -0.000 0.000 0.207 670 K C 2.079 178.687 176.600 0.013 0.000 1.049 670 K CA 1.423 57.718 56.287 0.013 0.000 0.931 670 K CB -0.108 32.399 32.500 0.011 0.000 0.714 670 K HN 0.108 nan 8.250 nan 0.000 0.440 671 E N 1.020 121.228 120.200 0.013 0.000 2.072 671 E HA -0.104 4.246 4.350 -0.000 0.000 0.191 671 E C 2.018 178.627 176.600 0.014 0.000 0.985 671 E CA 0.970 57.377 56.400 0.013 0.000 0.801 671 E CB -0.128 29.579 29.700 0.012 0.000 0.750 671 E HN 0.238 nan 8.360 nan 0.000 0.452 672 L N 1.012 122.245 121.223 0.016 0.000 2.012 672 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 672 L C 2.098 178.979 176.870 0.018 0.000 1.073 672 L CA 1.455 56.306 54.840 0.018 0.000 0.748 672 L CB -0.397 41.675 42.059 0.023 0.000 0.891 672 L HN 0.019 nan 8.230 nan 0.000 0.431 673 D N -0.064 120.347 120.400 0.018 0.000 2.117 673 D HA -0.214 4.426 4.640 -0.000 0.000 0.197 673 D C 2.096 178.404 176.300 0.014 0.000 0.987 673 D CA 1.159 55.168 54.000 0.016 0.000 0.829 673 D CB -0.147 40.662 40.800 0.016 0.000 0.961 673 D HN 0.198 nan 8.370 nan 0.000 0.460 674 K N 0.434 120.841 120.400 0.012 0.000 2.283 674 K HA -0.020 4.300 4.320 -0.000 0.000 0.202 674 K C 1.522 178.128 176.600 0.010 0.000 1.048 674 K CA 0.406 56.699 56.287 0.011 0.000 0.948 674 K CB 0.020 32.525 32.500 0.009 0.000 0.742 674 K HN 0.175 nan 8.250 nan 0.000 0.458 675 L N 0.141 121.370 121.223 0.011 0.000 2.612 675 L HA 0.122 4.462 4.340 -0.000 0.000 0.230 675 L C 0.834 177.710 176.870 0.011 0.000 1.140 675 L CA 0.461 55.308 54.840 0.010 0.000 0.896 675 L CB 0.044 42.109 42.059 0.010 0.000 1.065 675 L HN 0.473 nan 8.230 nan 0.000 0.447 676 G N 0.928 109.736 108.800 0.012 0.000 2.149 676 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.235 676 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.235 676 G C 0.033 174.943 174.900 0.015 0.000 1.018 676 G CA -0.348 44.759 45.100 0.013 0.000 0.728 676 G HN 0.219 nan 8.290 nan 0.000 0.508 677 R N -0.214 120.297 120.500 0.018 0.000 2.547 677 R HA 0.326 4.666 4.340 -0.000 0.000 0.280 677 R C -1.798 174.519 176.300 0.028 0.000 1.630 677 R CA -1.677 54.437 56.100 0.023 0.000 1.470 677 R CB 1.519 31.831 30.300 0.022 0.000 1.178 677 R HN 0.287 nan 8.270 nan 0.000 0.591 678 P HA -0.043 nan 4.420 nan 0.000 0.240 678 P C 0.333 177.656 177.300 0.038 0.000 1.190 678 P CA 0.587 63.704 63.100 0.029 0.000 0.781 678 P CB 0.497 32.211 31.700 0.024 0.000 0.931 679 D N 0.208 120.635 120.400 0.045 0.000 2.277 679 D HA -0.060 4.580 4.640 -0.000 0.000 0.208 679 D C 0.943 177.291 176.300 0.081 0.000 0.962 679 D CA 0.138 54.175 54.000 0.061 0.000 0.865 679 D CB -0.652 40.188 40.800 0.066 0.000 0.939 679 D HN 0.227 nan 8.370 nan 0.000 0.510 680 I N 1.786 122.397 120.570 0.070 0.000 2.517 680 I HA 0.021 4.191 4.170 -0.000 0.000 0.285 680 I C 0.659 176.820 176.117 0.073 0.000 1.106 680 I CA -0.263 61.085 61.300 0.080 0.000 1.402 680 I CB 0.799 38.833 38.000 0.056 0.000 1.399 680 I HN -0.136 nan 8.210 nan 0.000 0.535 681 L N 7.308 128.585 121.223 0.090 0.000 2.421 681 L HA 0.517 4.857 4.340 -0.000 0.000 0.263 681 L C -0.209 176.700 176.870 0.065 0.000 1.122 681 L CA -0.686 54.199 54.840 0.074 0.000 0.804 681 L CB 1.112 43.223 42.059 0.086 0.000 1.150 681 L HN 0.457 nan 8.230 nan 0.000 0.457 682 I N 0.582 121.180 120.570 0.048 0.000 2.433 682 I HA 0.350 4.520 4.170 -0.000 0.000 0.292 682 I C 0.061 176.198 176.117 0.033 0.000 1.001 682 I CA -0.272 61.052 61.300 0.039 0.000 1.119 682 I CB 2.184 40.200 38.000 0.027 0.000 1.289 682 I HN 0.650 nan 8.210 nan 0.000 0.438 683 T N 2.573 117.155 114.554 0.047 0.000 2.942 683 T HA 0.828 5.178 4.350 -0.000 0.000 0.289 683 T C -0.659 174.058 174.700 0.028 0.000 1.044 683 T CA -0.801 61.327 62.100 0.046 0.000 1.023 683 T CB 2.126 71.103 68.868 0.182 0.000 1.123 683 T HN 0.225 nan 8.240 nan 0.000 0.512 684 V N 0.672 120.576 119.914 -0.016 0.000 2.623 684 V HA 0.797 4.917 4.120 -0.000 0.000 0.304 684 V C 0.478 176.565 176.094 -0.011 0.000 1.054 684 V CA -0.509 61.778 62.300 -0.020 0.000 0.882 684 V CB 1.613 33.405 31.823 -0.052 0.000 1.002 684 V HN 1.366 nan 8.190 nan 0.000 0.424 685 G N 1.442 110.260 108.800 0.029 0.000 2.685 685 G HA2 0.917 4.877 3.960 -0.000 0.000 0.298 685 G HA3 0.917 4.877 3.960 -0.000 0.000 0.298 685 G C -0.008 174.875 174.900 -0.028 0.000 1.277 685 G CA -0.035 45.091 45.100 0.043 0.000 0.986 685 G HN 1.570 nan 8.290 nan 0.000 0.487 686 G N -2.027 106.758 108.800 -0.026 0.000 2.341 686 G HA2 0.135 4.095 3.960 -0.000 0.000 0.196 686 G HA3 0.135 4.095 3.960 -0.000 0.000 0.196 686 G C -0.840 174.025 174.900 -0.057 0.000 1.231 686 G CA -0.086 44.984 45.100 -0.049 0.000 1.155 686 G HN 1.427 nan 8.290 nan 0.000 0.529 687 V N 1.392 121.257 119.914 -0.080 0.000 2.338 687 V HA 0.547 4.667 4.120 -0.000 0.000 0.255 687 V C 0.215 176.247 176.094 -0.103 0.000 1.082 687 V CA 0.361 62.624 62.300 -0.062 0.000 0.951 687 V CB -0.181 31.611 31.823 -0.051 0.000 1.102 687 V HN 0.534 nan 8.190 nan 0.000 0.489 688 I N 6.747 127.269 120.570 -0.080 0.000 2.531 688 I HA 0.352 4.522 4.170 -0.000 0.000 0.283 688 I C -2.555 173.613 176.117 0.085 0.000 1.083 688 I CA -1.789 59.437 61.300 -0.124 0.000 1.071 688 I CB 2.355 40.278 38.000 -0.129 0.000 1.210 688 I HN 0.383 nan 8.210 nan 0.000 0.450 689 P HA -0.032 nan 4.420 nan 0.000 0.266 689 P C 0.671 177.778 177.300 -0.321 0.000 1.193 689 P CA 0.131 63.186 63.100 -0.075 0.000 0.770 689 P CB 0.829 32.517 31.700 -0.019 0.000 0.836 690 E N 1.445 121.258 120.200 -0.645 0.000 2.268 690 E HA -0.243 4.107 4.350 -0.000 0.000 0.195 690 E C 1.287 177.461 176.600 -0.710 0.000 0.995 690 E CA 1.047 56.669 56.400 -1.298 0.000 0.836 690 E CB 0.004 29.219 29.700 -0.808 0.000 0.763 690 E HN 0.429 nan 8.360 nan 0.000 0.491 691 Q N 0.463 120.074 119.800 -0.315 0.000 2.135 691 Q HA -0.164 4.176 4.340 -0.000 0.000 0.204 691 Q C 1.381 177.358 176.000 -0.038 0.000 0.981 691 Q CA 1.595 57.316 55.803 -0.136 0.000 0.856 691 Q CB 0.082 28.773 28.738 -0.079 0.000 0.902 691 Q HN 0.240 nan 8.270 nan 0.000 0.425 692 D N -0.486 119.932 120.400 0.029 0.000 2.363 692 D HA -0.055 4.585 4.640 -0.000 0.000 0.226 692 D C 0.958 177.430 176.300 0.287 0.000 1.020 692 D CA 0.386 54.488 54.000 0.170 0.000 0.892 692 D CB 0.063 41.043 40.800 0.301 0.000 0.900 692 D HN 0.133 nan 8.370 nan 0.000 0.531 693 F N 1.808 121.770 119.950 0.021 0.000 2.051 693 F HA -0.127 4.400 4.527 -0.000 0.000 0.296 693 F C 2.773 178.574 175.800 0.001 0.000 1.122 693 F CA 0.912 58.911 58.000 -0.001 0.000 1.201 693 F CB -1.343 37.645 39.000 -0.019 0.000 0.978 693 F HN 0.124 nan 8.300 nan 0.000 0.472 694 D N -0.394 120.122 120.400 0.193 0.000 2.149 694 D HA -0.211 4.429 4.640 -0.000 0.000 0.198 694 D C 2.043 178.387 176.300 0.075 0.000 0.990 694 D CA 1.442 55.504 54.000 0.102 0.000 0.839 694 D CB -0.791 40.052 40.800 0.072 0.000 0.948 694 D HN 0.484 nan 8.370 nan 0.000 0.460 695 E N -0.621 119.626 120.200 0.079 0.000 2.047 695 E HA -0.091 4.259 4.350 -0.000 0.000 0.191 695 E C 2.348 178.986 176.600 0.064 0.000 0.987 695 E CA 0.506 56.942 56.400 0.061 0.000 0.799 695 E CB -0.119 29.617 29.700 0.060 0.000 0.752 695 E HN 0.571 nan 8.360 nan 0.000 0.449 696 L N 0.302 121.580 121.223 0.091 0.000 2.013 696 L HA -0.237 4.103 4.340 -0.000 0.000 0.212 696 L C 2.771 179.657 176.870 0.026 0.000 1.073 696 L CA 1.499 56.383 54.840 0.073 0.000 0.753 696 L CB -0.316 41.798 42.059 0.091 0.000 0.890 696 L HN 0.116 nan 8.230 nan 0.000 0.432 697 R N -0.672 119.836 120.500 0.014 0.000 2.120 697 R HA -0.138 4.202 4.340 -0.000 0.000 0.234 697 R C 2.467 178.772 176.300 0.008 0.000 1.123 697 R CA 1.225 57.323 56.100 -0.004 0.000 0.975 697 R CB -0.167 30.128 30.300 -0.007 0.000 0.866 697 R HN 0.094 nan 8.270 nan 0.000 0.446 698 K N 0.105 120.517 120.400 0.020 0.000 2.228 698 K HA -0.034 4.286 4.320 -0.000 0.000 0.202 698 K C 1.129 177.739 176.600 0.018 0.000 1.051 698 K CA 1.172 57.469 56.287 0.018 0.000 0.960 698 K CB -0.180 32.333 32.500 0.021 0.000 0.743 698 K HN 0.297 nan 8.250 nan 0.000 0.458 699 D N -0.810 119.603 120.400 0.021 0.000 2.317 699 D HA 0.067 4.707 4.640 -0.000 0.000 0.211 699 D C 1.324 177.634 176.300 0.018 0.000 0.966 699 D CA 1.290 55.303 54.000 0.021 0.000 0.876 699 D CB 0.457 41.274 40.800 0.029 0.000 0.927 699 D HN 0.497 nan 8.370 nan 0.000 0.519 700 G N -0.569 108.239 108.800 0.013 0.000 2.273 700 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.162 700 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.162 700 G C 0.373 175.275 174.900 0.002 0.000 1.006 700 G CA -0.028 45.079 45.100 0.011 0.000 0.704 700 G HN 0.494 nan 8.290 nan 0.000 0.487 701 A N 0.959 123.773 122.820 -0.011 0.000 2.451 701 A HA 0.632 4.952 4.320 -0.000 0.000 0.266 701 A C 1.702 179.252 177.584 -0.057 0.000 1.119 701 A CA 0.675 52.689 52.037 -0.039 0.000 0.786 701 A CB 0.675 19.632 19.000 -0.071 0.000 1.061 701 A HN 1.569 nan 8.150 nan 0.000 0.503 702 V N -0.511 119.374 119.914 -0.050 0.000 3.174 702 V HA 0.265 4.385 4.120 -0.000 0.000 0.254 702 V C 0.372 176.405 176.094 -0.103 0.000 1.120 702 V CA 0.826 63.097 62.300 -0.048 0.000 1.114 702 V CB -0.420 31.401 31.823 -0.004 0.000 0.756 702 V HN 0.700 nan 8.190 nan 0.000 0.467 703 E N -0.077 120.015 120.200 -0.179 0.000 2.366 703 E HA 0.640 4.990 4.350 -0.000 0.000 0.278 703 E C -1.622 174.634 176.600 -0.572 0.000 0.923 703 E CA -0.497 55.678 56.400 -0.375 0.000 0.761 703 E CB 3.086 32.569 29.700 -0.362 0.000 1.231 703 E HN 0.317 nan 8.360 nan 0.000 0.443 704 I N 2.242 122.343 120.570 -0.782 0.000 2.478 704 I HA 0.272 4.442 4.170 -0.000 0.000 0.287 704 I C -1.434 174.219 176.117 -0.774 0.000 1.042 704 I CA -0.608 60.267 61.300 -0.708 0.000 1.067 704 I CB 1.129 38.657 38.000 -0.787 0.000 1.233 704 I HN 0.330 nan 8.210 nan 0.000 0.431 705 Y N 4.314 124.505 120.300 -0.182 0.000 2.328 705 Y HA 0.593 5.143 4.550 -0.000 0.000 0.337 705 Y C 0.661 176.507 175.900 -0.091 0.000 0.966 705 Y CA -0.847 57.184 58.100 -0.116 0.000 1.136 705 Y CB 1.903 40.309 38.460 -0.090 0.000 1.170 705 Y HN 0.534 nan 8.280 nan 0.000 0.470 706 T N 0.129 114.729 114.554 0.077 0.000 2.905 706 T HA 0.631 4.981 4.350 -0.000 0.000 0.283 706 T C -2.911 171.825 174.700 0.061 0.000 1.031 706 T CA -3.017 59.123 62.100 0.066 0.000 1.002 706 T CB 1.599 70.539 68.868 0.121 0.000 1.200 706 T HN 0.122 nan 8.240 nan 0.000 0.560 707 P HA 0.295 nan 4.420 nan 0.000 0.264 707 P C 1.077 178.387 177.300 0.017 0.000 1.183 707 P CA 1.449 64.557 63.100 0.013 0.000 0.763 707 P CB 0.026 31.720 31.700 -0.011 0.000 0.807 708 G N 1.256 110.062 108.800 0.009 0.000 2.213 708 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.236 708 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.236 708 G C 0.389 175.313 174.900 0.040 0.000 0.991 708 G CA 0.034 45.142 45.100 0.013 0.000 0.629 708 G HN 0.627 nan 8.290 nan 0.000 0.517 709 T N 1.512 116.098 114.554 0.053 0.000 2.891 709 T HA 0.351 4.701 4.350 -0.000 0.000 0.296 709 T C 0.793 175.521 174.700 0.046 0.000 1.025 709 T CA 0.572 62.711 62.100 0.065 0.000 1.149 709 T CB 1.540 70.446 68.868 0.062 0.000 1.007 709 T HN 0.570 nan 8.240 nan 0.000 0.528 710 V N 5.905 125.852 119.914 0.056 0.000 2.465 710 V HA 0.194 4.314 4.120 -0.000 0.000 0.279 710 V C 1.681 177.804 176.094 0.049 0.000 1.045 710 V CA -0.370 61.972 62.300 0.070 0.000 0.938 710 V CB 1.113 32.981 31.823 0.075 0.000 0.986 710 V HN 0.837 nan 8.190 nan 0.000 0.467 711 I N 5.481 126.085 120.570 0.057 0.000 2.127 711 I HA -0.106 4.063 4.170 -0.000 0.000 0.241 711 I C -0.333 175.816 176.117 0.055 0.000 1.075 711 I CA 1.557 62.856 61.300 -0.002 0.000 1.334 711 I CB -1.136 36.766 38.000 -0.163 0.000 1.040 711 I HN 0.564 nan 8.210 nan 0.000 0.405 712 P HA -0.168 nan 4.420 nan 0.000 0.215 712 P C 1.315 178.641 177.300 0.044 0.000 1.157 712 P CA 1.583 64.722 63.100 0.066 0.000 0.868 712 P CB -0.121 31.640 31.700 0.102 0.000 0.788 713 E N 0.355 120.588 120.200 0.055 0.000 2.085 713 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 713 E C 2.272 178.909 176.600 0.062 0.000 0.994 713 E CA 1.913 58.348 56.400 0.058 0.000 0.801 713 E CB -0.515 29.226 29.700 0.069 0.000 0.743 713 E HN 0.357 nan 8.360 nan 0.000 0.453 714 S N 1.007 116.721 115.700 0.023 0.000 2.382 714 S HA -0.104 4.366 4.470 -0.000 0.000 0.228 714 S C 2.252 176.844 174.600 -0.012 0.000 1.027 714 S CA 0.895 59.064 58.200 -0.052 0.000 0.991 714 S CB -0.197 62.694 63.200 -0.515 0.000 0.823 714 S HN 0.296 nan 8.310 nan 0.000 0.469 715 A N 2.218 125.011 122.820 -0.045 0.000 1.877 715 A HA 0.061 4.381 4.320 -0.000 0.000 0.216 715 A C 2.236 179.823 177.584 0.005 0.000 1.186 715 A CA 1.526 53.471 52.037 -0.153 0.000 0.620 715 A CB -0.896 17.937 19.000 -0.279 0.000 0.822 715 A HN 0.593 nan 8.150 nan 0.000 0.443 716 I N 0.532 121.112 120.570 0.018 0.000 2.127 716 I HA -0.287 3.883 4.170 -0.000 0.000 0.241 716 I C 2.961 179.113 176.117 0.058 0.000 1.075 716 I CA 1.891 63.210 61.300 0.032 0.000 1.334 716 I CB -0.394 37.627 38.000 0.035 0.000 1.040 716 I HN 0.536 nan 8.210 nan 0.000 0.405 717 S N 1.057 116.811 115.700 0.090 0.000 2.406 717 S HA -0.152 4.318 4.470 -0.000 0.000 0.228 717 S C 1.995 176.679 174.600 0.140 0.000 1.020 717 S CA 0.829 59.098 58.200 0.114 0.000 0.965 717 S CB -0.644 62.639 63.200 0.139 0.000 0.798 717 S HN 0.380 nan 8.310 nan 0.000 0.488 718 L N 1.920 123.248 121.223 0.174 0.000 2.056 718 L HA 0.096 4.436 4.340 -0.000 0.000 0.207 718 L C 2.421 179.363 176.870 0.120 0.000 1.078 718 L CA 1.430 56.379 54.840 0.182 0.000 0.749 718 L CB -0.835 41.350 42.059 0.210 0.000 0.901 718 L HN 0.210 nan 8.230 nan 0.000 0.433 719 V N 0.021 119.986 119.914 0.085 0.000 2.255 719 V HA -0.354 3.766 4.120 -0.000 0.000 0.247 719 V C 2.703 178.840 176.094 0.072 0.000 1.051 719 V CA 2.306 64.617 62.300 0.019 0.000 1.018 719 V CB -0.704 31.087 31.823 -0.054 0.000 0.641 719 V HN 0.482 nan 8.190 nan 0.000 0.445 720 K N -0.212 120.226 120.400 0.065 0.000 2.063 720 K HA -0.267 4.053 4.320 -0.000 0.000 0.208 720 K C 2.238 178.876 176.600 0.064 0.000 1.048 720 K CA 1.844 58.168 56.287 0.061 0.000 0.928 720 K CB -0.148 32.383 32.500 0.051 0.000 0.713 720 K HN 0.239 nan 8.250 nan 0.000 0.442 721 K N 0.818 121.260 120.400 0.071 0.000 2.097 721 K HA -0.048 4.272 4.320 -0.000 0.000 0.205 721 K C 1.803 178.448 176.600 0.076 0.000 1.050 721 K CA 0.987 57.313 56.287 0.065 0.000 0.938 721 K CB -0.119 32.420 32.500 0.066 0.000 0.718 721 K HN 0.073 nan 8.250 nan 0.000 0.442 722 L N 0.258 121.539 121.223 0.098 0.000 1.970 722 L HA -0.245 4.095 4.340 -0.000 0.000 0.212 722 L C 2.526 179.475 176.870 0.131 0.000 1.071 722 L CA 1.290 56.205 54.840 0.125 0.000 0.751 722 L CB -0.425 41.716 42.059 0.136 0.000 0.889 722 L HN 0.173 nan 8.230 nan 0.000 0.432 723 R N 0.051 120.636 120.500 0.143 0.000 2.096 723 R HA -0.183 4.157 4.340 -0.000 0.000 0.240 723 R C 2.235 178.550 176.300 0.025 0.000 1.139 723 R CA 1.727 57.867 56.100 0.066 0.000 0.952 723 R CB -1.209 29.129 30.300 0.063 0.000 0.854 723 R HN 0.420 nan 8.270 nan 0.000 0.436 724 A N 0.044 122.884 122.820 0.033 0.000 1.933 724 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 724 A C 2.397 179.995 177.584 0.023 0.000 1.175 724 A CA 2.015 54.066 52.037 0.022 0.000 0.628 724 A CB -0.549 18.466 19.000 0.025 0.000 0.814 724 A HN 0.365 nan 8.150 nan 0.000 0.444 725 S N -0.935 114.787 115.700 0.036 0.000 2.387 725 S HA 0.026 4.496 4.470 -0.000 0.000 0.226 725 S C 1.823 176.441 174.600 0.031 0.000 1.026 725 S CA 1.092 59.315 58.200 0.037 0.000 0.972 725 S CB -0.342 62.892 63.200 0.056 0.000 0.814 725 S HN 0.506 nan 8.310 nan 0.000 0.477 726 L N 0.563 121.800 121.223 0.024 0.000 2.209 726 L HA 0.115 4.455 4.340 -0.000 0.000 0.207 726 L C 0.058 176.911 176.870 -0.027 0.000 1.094 726 L CA 0.588 55.428 54.840 0.001 0.000 0.790 726 L CB -0.135 41.901 42.059 -0.038 0.000 0.932 726 L HN 0.158 nan 8.230 nan 0.000 0.447 727 D N 1.228 121.609 120.400 -0.032 0.000 2.639 727 D HA 0.564 5.204 4.640 -0.000 0.000 0.233 727 D C 0.009 176.298 176.300 -0.017 0.000 1.161 727 D CA 0.392 54.370 54.000 -0.037 0.000 1.003 727 D CB 0.750 41.521 40.800 -0.048 0.000 1.034 727 D HN 0.242 nan 8.370 nan 0.000 0.514 728 A N 0.000 122.813 122.820 -0.011 0.000 2.254 728 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 728 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 728 A CB 0.000 19.001 19.000 0.002 0.000 0.831 728 A HN 0.000 nan 8.150 nan 0.000 0.486