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 2qly_1_A DATA FIRST_RESID 7 DATA SEQUENCE VNELERINcI PDQPPTKATC DQRGcCWNPQ GAVSVPWCYY SKNHSYHVEG DATA SEQUENCE NLVNTNAGFT ARLKNLPSSP VFGSNVDNVL LTAEYQTSNR FHFKLTDQTN DATA SEQUENCE NRFEVPHEHV QSFSGNAAAS LTYQVEISRQ PFSIKVTRRS NNRVLFDSSI DATA SEQUENCE GPLLFADQFL QLSTRLPSTN VYGLGEHVHQ QYRHDMNWKT WPIFNRDTTP DATA SEQUENCE NGNGTNLYGA QTFFLCLEDA SGLSFGVFLM NSNAMEVVLQ PAPAITYRTI DATA SEQUENCE GGILDFYVFL GNTPEQVVQE YLELIGRPAL PSYWALGFHL SRYEYGTLDN DATA SEQUENCE MREVVERNRA AQLPYDVQHA DIDYMDERRD FTYDSVDFKG FPEFVNELHN DATA SEQUENCE NGQKLVIIVD PAISNNSSSS KPYGPYDRGS DMKIWVNSSD GVTPLIGEVW DATA SEQUENCE PGQTVFPDYT NPNCAVWWTK EFELFHNQVE FDGIWIDMNE VSNFVDGSVS DATA SEQUENCE GCSTNNLNNP PFTPRILDGY LFCKTLCMDA VQHWGKQYDI HNLYGYSMAV DATA SEQUENCE ATAEAAKTVF PNKRSFILTR STFAGSGKFA AHWLGDNTAT WDDLRWSIPG DATA SEQUENCE VLEFNLFGIP MVGPDIcGFA LDTPEELcRR WMQLGAFYPF SRNHNGQGYK DATA SEQUENCE DQDPASFGAD SLLLNSSRHY LNIRYTLLPY LYTLFFRAHS RGDTVARPLL DATA SEQUENCE HEFYEDNSTW DVHQQFLWGP GLLITPVLDE GAEKVMAYVP DAVWYDYETG DATA SEQUENCE SQVRWRKQKV EMELPGDKIG LHLRGGYIFP TQQPNTTTLA SRKNPLGLII DATA SEQUENCE ALDENKEAKG ELFWDDGETK DTVANKVYLL CEFSVTQNRL EVNISQSTYK DATA SEQUENCE DPNNLAFNEI KILGTEEPSN VTVKHNGVPS XTSPTVTYDS NLKVAIITDI DATA SEQUENCE DLLLGEAYTV EWAH 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 7 V HA 0.000 nan 4.120 nan 0.000 0.244 7 V C 0.000 176.065 176.094 -0.049 0.000 1.182 7 V CA 0.000 62.294 62.300 -0.011 0.000 1.235 7 V CB 0.000 31.796 31.823 -0.046 0.000 1.184 8 N N 2.866 121.542 118.700 -0.040 0.000 2.483 8 N HA 0.053 4.793 4.740 -0.000 0.000 0.264 8 N C 1.284 176.757 175.510 -0.061 0.000 1.197 8 N CA 0.581 53.608 53.050 -0.038 0.000 0.927 8 N CB 1.405 39.878 38.487 -0.024 0.000 1.065 8 N HN 1.005 nan 8.380 nan 0.000 0.461 9 E N 3.776 123.946 120.200 -0.049 0.000 2.265 9 E HA -0.161 4.188 4.350 -0.000 0.000 0.196 9 E C 1.213 177.876 176.600 0.106 0.000 0.996 9 E CA 0.909 57.279 56.400 -0.049 0.000 0.832 9 E CB -0.158 29.514 29.700 -0.047 0.000 0.756 9 E HN 0.645 nan 8.360 nan 0.000 0.491 10 L N 0.568 121.855 121.223 0.108 0.000 2.478 10 L HA 0.018 4.358 4.340 -0.000 0.000 0.223 10 L C 1.747 178.629 176.870 0.020 0.000 1.140 10 L CA 0.763 55.678 54.840 0.124 0.000 0.842 10 L CB -0.163 41.891 42.059 -0.008 0.000 0.953 10 L HN 0.106 nan 8.230 nan 0.000 0.452 11 E N -0.013 120.197 120.200 0.017 0.000 2.481 11 E HA 0.100 4.449 4.350 -0.000 0.000 0.198 11 E C 0.093 176.708 176.600 0.024 0.000 1.027 11 E CA -0.265 56.129 56.400 -0.010 0.000 0.900 11 E CB 0.510 30.194 29.700 -0.027 0.000 0.993 11 E HN 0.390 nan 8.360 nan 0.000 0.482 12 R N 1.477 121.991 120.500 0.023 0.000 2.442 12 R HA 0.178 4.518 4.340 -0.000 0.000 0.291 12 R C -0.004 176.408 176.300 0.188 0.000 1.069 12 R CA 0.146 56.225 56.100 -0.036 0.000 1.022 12 R CB 0.866 30.931 30.300 -0.392 0.000 0.976 12 R HN -0.017 nan 8.270 nan 0.000 0.443 13 I N 3.140 123.867 120.570 0.261 0.000 2.312 13 I HA 0.034 4.203 4.170 -0.000 0.000 0.290 13 I C 0.408 176.726 176.117 0.335 0.000 1.008 13 I CA -1.133 60.360 61.300 0.322 0.000 1.226 13 I CB 0.802 39.009 38.000 0.345 0.000 1.371 13 I HN 0.525 nan 8.210 nan 0.000 0.468 14 N N 4.732 123.577 118.700 0.242 0.000 2.365 14 N HA -0.124 4.616 4.740 -0.000 0.000 0.265 14 N C 0.833 176.340 175.510 -0.004 0.000 1.288 14 N CA 0.440 53.561 53.050 0.117 0.000 0.869 14 N CB 0.541 39.093 38.487 0.109 0.000 1.071 14 N HN 0.757 nan 8.380 nan 0.000 0.480 15 c N 4.500 122.919 118.600 -0.303 0.000 2.673 15 c HA 0.386 4.956 4.570 -0.000 0.000 0.264 15 c C 0.711 174.688 174.090 -0.187 0.000 1.304 15 c CA -0.309 55.604 56.329 -0.693 0.000 1.727 15 c CB -1.010 40.960 42.510 -0.899 0.000 1.932 15 c HN 0.721 nan 8.230 nan 0.000 0.563 16 I N 2.628 123.177 120.570 -0.035 0.000 2.697 16 I HA 0.260 4.430 4.170 -0.000 0.000 0.279 16 I C -1.627 174.555 176.117 0.109 0.000 1.171 16 I CA -1.110 60.224 61.300 0.056 0.000 1.135 16 I CB 1.107 39.147 38.000 0.066 0.000 1.445 16 I HN 0.132 nan 8.210 nan 0.000 0.541 17 P HA -0.045 nan 4.420 nan 0.000 0.236 17 P C 0.398 177.909 177.300 0.352 0.000 1.177 17 P CA 0.946 64.177 63.100 0.219 0.000 0.773 17 P CB 0.247 32.058 31.700 0.185 0.000 0.878 18 D N -0.764 119.857 120.400 0.369 0.000 2.398 18 D HA 0.035 4.675 4.640 -0.000 0.000 0.210 18 D C 0.652 177.060 176.300 0.181 0.000 1.094 18 D CA 0.081 54.316 54.000 0.392 0.000 0.839 18 D CB 0.340 41.492 40.800 0.587 0.000 0.963 18 D HN 0.364 nan 8.370 nan 0.000 0.506 19 Q N -0.826 119.045 119.800 0.118 0.000 2.829 19 Q HA 0.387 4.727 4.340 -0.000 0.000 0.296 19 Q C -3.305 172.711 176.000 0.026 0.000 0.893 19 Q CA -1.433 54.404 55.803 0.056 0.000 0.772 19 Q CB 0.365 29.140 28.738 0.062 0.000 1.489 19 Q HN -0.289 nan 8.270 nan 0.000 0.420 20 P HA 0.189 nan 4.420 nan 0.000 0.267 20 P C -2.401 174.926 177.300 0.045 0.000 1.205 20 P CA -0.489 62.602 63.100 -0.015 0.000 0.765 20 P CB -0.062 31.631 31.700 -0.012 0.000 0.828 21 P HA 0.081 nan 4.420 nan 0.000 0.271 21 P C -0.624 176.926 177.300 0.417 0.000 1.216 21 P CA 0.161 63.415 63.100 0.256 0.000 0.771 21 P CB 0.632 32.518 31.700 0.309 0.000 0.864 22 T N -1.372 113.330 114.554 0.246 0.000 2.883 22 T HA 0.313 4.663 4.350 -0.000 0.000 0.301 22 T C 0.911 175.258 174.700 -0.589 0.000 1.158 22 T CA -0.909 61.154 62.100 -0.062 0.000 1.007 22 T CB 2.263 71.089 68.868 -0.070 0.000 1.186 22 T HN 0.270 nan 8.240 nan 0.000 0.499 23 K N 0.740 120.427 120.400 -1.188 0.000 2.057 23 K HA -0.029 4.290 4.320 -0.000 0.000 0.207 23 K C 2.408 178.669 176.600 -0.565 0.000 1.049 23 K CA 1.599 57.116 56.287 -1.282 0.000 0.931 23 K CB -0.792 30.925 32.500 -1.306 0.000 0.714 23 K HN 0.711 nan 8.250 nan 0.000 0.440 24 A N 0.541 123.135 122.820 -0.377 0.000 1.873 24 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 24 A C 2.210 179.689 177.584 -0.174 0.000 1.193 24 A CA 2.449 54.352 52.037 -0.224 0.000 0.629 24 A CB -1.281 17.623 19.000 -0.160 0.000 0.826 24 A HN 0.474 nan 8.150 nan 0.000 0.447 25 T N -0.889 113.573 114.554 -0.152 0.000 2.684 25 T HA -0.235 4.114 4.350 -0.000 0.000 0.267 25 T C 1.982 176.626 174.700 -0.094 0.000 1.036 25 T CA 1.436 63.475 62.100 -0.102 0.000 1.148 25 T CB -1.072 67.759 68.868 -0.061 0.000 0.863 25 T HN 0.666 nan 8.240 nan 0.000 0.436 26 C N 2.046 121.285 119.300 -0.102 0.000 2.393 26 C HA -0.178 4.282 4.460 -0.000 0.000 0.276 26 C C 2.428 177.376 174.990 -0.070 0.000 1.215 26 C CA 1.368 60.357 59.018 -0.048 0.000 1.743 26 C CB -1.263 26.491 27.740 0.024 0.000 2.044 26 C HN 0.486 nan 8.230 nan 0.000 0.464 27 D N -0.476 119.852 120.400 -0.120 0.000 2.117 27 D HA -0.158 4.482 4.640 -0.000 0.000 0.197 27 D C 2.183 178.441 176.300 -0.070 0.000 0.987 27 D CA 1.434 55.377 54.000 -0.095 0.000 0.829 27 D CB -0.707 40.018 40.800 -0.125 0.000 0.961 27 D HN 0.744 nan 8.370 nan 0.000 0.460 28 Q N 0.322 120.074 119.800 -0.080 0.000 2.170 28 Q HA -0.094 4.246 4.340 -0.000 0.000 0.203 28 Q C 1.682 177.651 176.000 -0.052 0.000 0.976 28 Q CA 1.141 56.902 55.803 -0.069 0.000 0.858 28 Q CB 0.192 28.881 28.738 -0.081 0.000 0.907 28 Q HN 0.154 nan 8.270 nan 0.000 0.433 29 R N -1.293 119.183 120.500 -0.040 0.000 2.300 29 R HA 0.124 4.463 4.340 -0.000 0.000 0.199 29 R C 0.787 177.135 176.300 0.080 0.000 0.920 29 R CA 0.515 56.617 56.100 0.005 0.000 1.046 29 R CB 0.540 30.830 30.300 -0.016 0.000 0.984 29 R HN 0.409 nan 8.270 nan 0.000 0.493 30 G N 1.138 109.958 108.800 0.033 0.000 2.176 30 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.252 30 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.252 30 G C 0.217 175.175 174.900 0.098 0.000 1.024 30 G CA 0.135 45.266 45.100 0.051 0.000 0.755 30 G HN 0.337 nan 8.290 nan 0.000 0.507 31 c N -1.054 117.567 118.600 0.036 0.000 2.534 31 c HA 0.790 5.359 4.570 -0.000 0.000 0.398 31 c C 1.398 175.416 174.090 -0.119 0.000 1.609 31 c CA -0.376 55.926 56.329 -0.045 0.000 1.916 31 c CB 1.141 43.552 42.510 -0.165 0.000 1.954 31 c HN 0.693 nan 8.230 nan 0.000 0.508 32 C N 0.981 120.075 119.300 -0.344 0.000 2.365 32 C HA 0.605 5.065 4.460 -0.000 0.000 0.349 32 C C -0.450 174.337 174.990 -0.339 0.000 1.191 32 C CA -0.592 58.153 59.018 -0.454 0.000 2.114 32 C CB 0.379 27.547 27.740 -0.954 0.000 2.367 32 C HN 0.865 nan 8.230 nan 0.000 0.530 33 W N 3.962 125.095 121.300 -0.280 0.000 2.619 33 W HA 0.453 5.113 4.660 -0.000 0.000 0.327 33 W C -0.982 175.517 176.519 -0.034 0.000 1.027 33 W CA -0.212 57.062 57.345 -0.119 0.000 1.233 33 W CB 1.235 30.640 29.460 -0.092 0.000 1.370 33 W HN 0.735 nan 8.180 nan 0.000 0.453 34 N N 7.872 126.188 118.700 -0.639 0.000 2.827 34 N HA 0.153 4.893 4.740 -0.000 0.000 0.240 34 N C -2.380 172.652 175.510 -0.798 0.000 1.352 34 N CA -1.226 51.516 53.050 -0.513 0.000 0.760 34 N CB 1.485 39.941 38.487 -0.051 0.000 1.426 34 N HN 0.109 nan 8.380 nan 0.000 0.561 35 P HA 0.077 nan 4.420 nan 0.000 0.253 35 P C 0.049 176.758 177.300 -0.985 0.000 1.281 35 P CA 0.421 62.460 63.100 -1.768 0.000 0.792 35 P CB 0.319 30.792 31.700 -2.045 0.000 1.193 36 Q N -0.455 119.030 119.800 -0.525 0.000 2.280 36 Q HA 0.218 4.557 4.340 -0.000 0.000 0.202 36 Q C 1.112 177.014 176.000 -0.162 0.000 0.903 36 Q CA -0.007 55.624 55.803 -0.287 0.000 0.948 36 Q CB 0.039 28.657 28.738 -0.199 0.000 1.058 36 Q HN 0.156 nan 8.270 nan 0.000 0.493 37 G N 0.628 109.349 108.800 -0.132 0.000 2.580 37 G HA2 0.495 4.455 3.960 -0.000 0.000 0.278 37 G HA3 0.495 4.455 3.960 -0.000 0.000 0.278 37 G C -0.222 174.671 174.900 -0.011 0.000 1.212 37 G CA -0.071 44.995 45.100 -0.056 0.000 0.939 37 G HN 0.299 nan 8.290 nan 0.000 0.513 38 A N -0.866 121.939 122.820 -0.026 0.000 2.409 38 A HA 0.415 4.734 4.320 -0.000 0.000 0.246 38 A C 0.883 178.425 177.584 -0.070 0.000 1.099 38 A CA -0.119 51.905 52.037 -0.022 0.000 0.789 38 A CB 0.300 19.301 19.000 0.002 0.000 1.053 38 A HN 1.595 nan 8.150 nan 0.000 0.503 39 V N 1.293 121.169 119.914 -0.063 0.000 2.720 39 V HA 0.230 4.350 4.120 -0.000 0.000 0.307 39 V C 1.129 177.056 176.094 -0.278 0.000 1.071 39 V CA 1.859 64.086 62.300 -0.121 0.000 1.199 39 V CB 0.275 32.057 31.823 -0.068 0.000 0.900 39 V HN 1.589 nan 8.190 nan 0.000 0.494 40 S N 1.756 117.222 115.700 -0.389 0.000 2.608 40 S HA -0.179 4.291 4.470 -0.000 0.000 0.256 40 S C 0.259 174.160 174.600 -1.164 0.000 1.270 40 S CA 0.999 58.826 58.200 -0.623 0.000 1.465 40 S CB -1.359 61.578 63.200 -0.437 0.000 1.833 40 S HN 1.028 nan 8.310 nan 0.000 0.641 41 V N 3.809 123.106 119.914 -1.029 0.000 2.529 41 V HA 0.167 4.287 4.120 -0.000 0.000 0.292 41 V C -1.877 173.841 176.094 -0.627 0.000 1.028 41 V CA -0.922 60.753 62.300 -1.041 0.000 1.074 41 V CB 0.320 31.889 31.823 -0.423 0.000 0.958 41 V HN 0.115 nan 8.190 nan 0.000 0.481 42 P HA 0.023 nan 4.420 nan 0.000 0.267 42 P C 0.005 177.321 177.300 0.026 0.000 1.209 42 P CA -0.062 62.897 63.100 -0.235 0.000 0.763 42 P CB 0.361 32.011 31.700 -0.084 0.000 0.816 43 W N 2.336 123.487 121.300 -0.248 0.000 2.388 43 W HA -0.011 4.649 4.660 -0.000 0.000 0.294 43 W C 0.908 177.254 176.519 -0.289 0.000 1.212 43 W CA 0.082 57.174 57.345 -0.422 0.000 1.271 43 W CB -0.753 28.335 29.460 -0.620 0.000 1.126 43 W HN 0.258 nan 8.180 nan 0.000 0.535 44 C N 1.373 120.795 119.300 0.204 0.000 2.340 44 C HA 0.660 5.120 4.460 -0.000 0.000 0.323 44 C C -0.619 174.430 174.990 0.099 0.000 1.260 44 C CA -0.847 58.290 59.018 0.198 0.000 1.464 44 C CB -1.119 26.806 27.740 0.308 0.000 2.156 44 C HN 0.226 nan 8.230 nan 0.000 0.476 45 Y N 2.922 123.186 120.300 -0.059 0.000 2.615 45 Y HA 0.710 5.260 4.550 -0.000 0.000 0.341 45 Y C -1.358 174.463 175.900 -0.132 0.000 1.089 45 Y CA -1.557 56.471 58.100 -0.120 0.000 1.049 45 Y CB 0.341 38.799 38.460 -0.004 0.000 1.296 45 Y HN 0.576 nan 8.280 nan 0.000 0.470 46 Y N 1.880 122.270 120.300 0.150 0.000 2.411 46 Y HA 0.322 4.872 4.550 -0.000 0.000 0.333 46 Y C 1.179 177.134 175.900 0.093 0.000 1.186 46 Y CA 0.370 58.470 58.100 0.001 0.000 1.381 46 Y CB 0.878 39.305 38.460 -0.056 0.000 1.273 46 Y HN 0.817 nan 8.280 nan 0.000 0.546 47 S N 1.830 117.671 115.700 0.235 0.000 2.641 47 S HA 0.201 4.671 4.470 -0.000 0.000 0.261 47 S C 0.837 175.577 174.600 0.234 0.000 1.257 47 S CA -0.677 57.643 58.200 0.200 0.000 0.983 47 S CB 0.888 64.188 63.200 0.167 0.000 0.990 47 S HN 0.715 nan 8.310 nan 0.000 0.572 48 K N 0.148 120.656 120.400 0.181 0.000 2.217 48 K HA 0.107 4.427 4.320 -0.000 0.000 0.202 48 K C 0.333 177.022 176.600 0.149 0.000 1.051 48 K CA 0.661 57.040 56.287 0.152 0.000 0.952 48 K CB -0.128 32.441 32.500 0.115 0.000 0.736 48 K HN 0.428 nan 8.250 nan 0.000 0.453 49 N N 0.245 119.040 118.700 0.158 0.000 2.746 49 N HA 0.046 4.786 4.740 -0.000 0.000 0.250 49 N C -0.733 174.884 175.510 0.177 0.000 1.146 49 N CA 0.049 53.188 53.050 0.148 0.000 0.828 49 N CB 0.766 39.311 38.487 0.096 0.000 1.158 49 N HN 0.149 nan 8.380 nan 0.000 0.519 50 H N 0.336 119.474 119.070 0.113 0.000 2.430 50 H HA 0.196 4.752 4.556 -0.000 0.000 0.297 50 H C 1.482 176.856 175.328 0.078 0.000 1.016 50 H CA 1.271 57.387 56.048 0.113 0.000 1.294 50 H CB 0.720 30.574 29.762 0.154 0.000 1.465 50 H HN 0.457 nan 8.280 nan 0.000 0.547 51 S N -1.383 114.437 115.700 0.200 0.000 3.641 51 S HA 0.221 4.691 4.470 -0.000 0.000 0.180 51 S C -0.259 174.360 174.600 0.032 0.000 0.854 51 S CA -0.617 57.679 58.200 0.160 0.000 1.343 51 S CB 0.235 63.661 63.200 0.378 0.000 0.685 51 S HN 0.144 nan 8.310 nan 0.000 0.724 52 Y N 2.134 122.518 120.300 0.139 0.000 2.453 52 Y HA 0.643 5.193 4.550 -0.000 0.000 0.326 52 Y C 0.333 176.320 175.900 0.145 0.000 1.186 52 Y CA -0.447 57.680 58.100 0.044 0.000 1.200 52 Y CB 1.081 39.520 38.460 -0.035 0.000 1.247 52 Y HN 0.828 nan 8.280 nan 0.000 0.482 53 H N -2.382 116.838 119.070 0.250 0.000 2.821 53 H HA 0.699 5.254 4.556 -0.000 0.000 0.373 53 H C -1.532 173.905 175.328 0.182 0.000 1.165 53 H CA -1.366 54.807 56.048 0.208 0.000 1.154 53 H CB 0.354 30.186 29.762 0.118 0.000 1.765 53 H HN 0.354 nan 8.280 nan 0.000 0.549 54 V N 1.597 121.704 119.914 0.321 0.000 2.637 54 V HA 0.076 4.195 4.120 -0.000 0.000 0.296 54 V C 0.387 176.657 176.094 0.293 0.000 1.046 54 V CA -0.019 62.413 62.300 0.220 0.000 1.066 54 V CB 0.630 32.579 31.823 0.211 0.000 0.968 54 V HN 0.855 nan 8.190 nan 0.000 0.483 55 E N 3.896 124.193 120.200 0.162 0.000 2.081 55 E HA 0.554 4.904 4.350 -0.000 0.000 0.276 55 E C 0.432 177.095 176.600 0.105 0.000 0.950 55 E CA 0.810 57.313 56.400 0.172 0.000 0.776 55 E CB 0.744 30.502 29.700 0.097 0.000 1.094 55 E HN 1.006 nan 8.360 nan 0.000 0.402 56 G N 4.322 113.180 108.800 0.096 0.000 2.525 56 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.248 56 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.248 56 G C -0.462 174.472 174.900 0.057 0.000 1.238 56 G CA -0.186 44.951 45.100 0.062 0.000 0.926 56 G HN 0.633 nan 8.290 nan 0.000 0.574 57 N N -0.323 118.404 118.700 0.045 0.000 2.443 57 N HA 0.649 5.389 4.740 -0.000 0.000 0.293 57 N C -0.026 175.512 175.510 0.048 0.000 1.159 57 N CA -0.690 52.382 53.050 0.038 0.000 0.904 57 N CB 1.303 39.806 38.487 0.027 0.000 1.214 57 N HN 0.473 nan 8.380 nan 0.000 0.513 58 L N 0.658 121.904 121.223 0.039 0.000 2.439 58 L HA 0.234 4.574 4.340 -0.000 0.000 0.269 58 L C -0.025 176.891 176.870 0.076 0.000 1.179 58 L CA -0.081 54.798 54.840 0.064 0.000 0.828 58 L CB 0.551 42.600 42.059 -0.015 0.000 1.106 58 L HN 0.204 nan 8.230 nan 0.000 0.467 59 V N 3.186 123.176 119.914 0.127 0.000 2.384 59 V HA 0.341 4.461 4.120 -0.000 0.000 0.287 59 V C 0.116 176.310 176.094 0.167 0.000 1.020 59 V CA -1.078 61.290 62.300 0.114 0.000 0.850 59 V CB 1.355 33.232 31.823 0.090 0.000 0.987 59 V HN 0.676 nan 8.190 nan 0.000 0.436 60 N N 3.223 122.009 118.700 0.142 0.000 2.492 60 N HA 0.242 4.982 4.740 -0.000 0.000 0.262 60 N C 0.238 175.837 175.510 0.148 0.000 1.202 60 N CA 0.204 53.359 53.050 0.175 0.000 0.926 60 N CB 1.597 40.163 38.487 0.132 0.000 1.078 60 N HN 0.887 nan 8.380 nan 0.000 0.454 61 T N -1.456 113.200 114.554 0.169 0.000 2.910 61 T HA 0.291 4.641 4.350 -0.000 0.000 0.287 61 T C 0.982 175.769 174.700 0.145 0.000 1.050 61 T CA -0.827 61.348 62.100 0.126 0.000 1.011 61 T CB 1.129 70.055 68.868 0.095 0.000 1.195 61 T HN 0.364 nan 8.240 nan 0.000 0.540 62 N N 0.044 118.818 118.700 0.123 0.000 2.149 62 N HA -0.090 4.649 4.740 -0.000 0.000 0.188 62 N C 1.914 177.553 175.510 0.216 0.000 1.019 62 N CA 1.207 54.340 53.050 0.137 0.000 0.857 62 N CB -0.188 38.355 38.487 0.094 0.000 0.997 62 N HN 0.742 nan 8.380 nan 0.000 0.426 63 A N -0.603 122.364 122.820 0.245 0.000 2.095 63 A HA 0.450 4.770 4.320 -0.000 0.000 0.212 63 A C 1.346 179.091 177.584 0.269 0.000 1.162 63 A CA 1.196 53.452 52.037 0.365 0.000 0.753 63 A CB 0.213 19.445 19.000 0.386 0.000 0.840 63 A HN 0.418 nan 8.150 nan 0.000 0.468 64 G N -1.420 107.512 108.800 0.220 0.000 2.229 64 G HA2 0.392 4.352 3.960 -0.000 0.000 0.089 64 G HA3 0.392 4.352 3.960 -0.000 0.000 0.089 64 G C -0.462 174.601 174.900 0.272 0.000 0.832 64 G CA 0.131 45.351 45.100 0.200 0.000 1.234 64 G HN 1.106 nan 8.290 nan 0.000 0.466 65 F N 0.107 120.078 119.950 0.035 0.000 2.719 65 F HA 0.790 5.317 4.527 -0.000 0.000 0.309 65 F C -0.508 175.295 175.800 0.006 0.000 1.138 65 F CA -0.343 57.684 58.000 0.045 0.000 0.943 65 F CB 1.355 40.398 39.000 0.071 0.000 1.304 65 F HN 0.733 nan 8.300 nan 0.000 0.445 66 T N -0.245 114.423 114.554 0.191 0.000 2.924 66 T HA 0.960 5.310 4.350 -0.000 0.000 0.291 66 T C -0.894 173.932 174.700 0.210 0.000 1.045 66 T CA -0.432 61.725 62.100 0.095 0.000 1.015 66 T CB 1.693 70.571 68.868 0.017 0.000 1.103 66 T HN 1.695 nan 8.240 nan 0.000 0.496 67 A N 1.453 124.348 122.820 0.125 0.000 2.515 67 A HA 0.803 5.122 4.320 -0.000 0.000 0.298 67 A C -0.641 176.942 177.584 -0.001 0.000 1.059 67 A CA -1.142 50.957 52.037 0.104 0.000 0.698 67 A CB 1.440 20.544 19.000 0.172 0.000 1.289 67 A HN 0.844 nan 8.150 nan 0.000 0.404 68 R N 0.779 121.276 120.500 -0.005 0.000 2.265 68 R HA 0.626 4.966 4.340 -0.000 0.000 0.319 68 R C -1.120 175.136 176.300 -0.073 0.000 1.006 68 R CA -0.218 55.852 56.100 -0.051 0.000 0.880 68 R CB 1.102 31.387 30.300 -0.025 0.000 1.077 68 R HN 0.627 nan 8.270 nan 0.000 0.454 69 L N 2.653 123.789 121.223 -0.145 0.000 2.329 69 L HA 0.551 4.891 4.340 -0.000 0.000 0.279 69 L C -0.298 176.540 176.870 -0.054 0.000 1.014 69 L CA -0.824 53.923 54.840 -0.154 0.000 0.814 69 L CB 1.787 43.627 42.059 -0.366 0.000 1.257 69 L HN 0.441 nan 8.230 nan 0.000 0.424 70 K N 2.068 122.366 120.400 -0.171 0.000 2.345 70 K HA 0.318 4.638 4.320 -0.000 0.000 0.255 70 K C -0.764 175.616 176.600 -0.366 0.000 0.934 70 K CA -0.731 55.411 56.287 -0.241 0.000 0.801 70 K CB 1.619 33.923 32.500 -0.327 0.000 1.137 70 K HN 0.467 nan 8.250 nan 0.000 0.424 71 N N 4.034 122.509 118.700 -0.376 0.000 2.497 71 N HA 0.085 4.825 4.740 -0.000 0.000 0.271 71 N C -0.860 174.469 175.510 -0.302 0.000 1.142 71 N CA -0.303 52.326 53.050 -0.703 0.000 0.965 71 N CB 0.479 38.501 38.487 -0.775 0.000 1.077 71 N HN 0.452 nan 8.380 nan 0.000 0.462 72 L N 5.955 127.051 121.223 -0.212 0.000 2.325 72 L HA 0.338 4.677 4.340 -0.000 0.000 0.284 72 L C -1.578 175.222 176.870 -0.116 0.000 1.089 72 L CA -1.464 53.344 54.840 -0.053 0.000 0.836 72 L CB -0.031 42.038 42.059 0.017 0.000 1.184 72 L HN 0.540 nan 8.230 nan 0.000 0.444 73 P HA 0.116 nan 4.420 nan 0.000 0.269 73 P C -0.481 176.758 177.300 -0.101 0.000 1.211 73 P CA -0.087 62.959 63.100 -0.089 0.000 0.781 73 P CB 1.077 32.744 31.700 -0.054 0.000 0.877 74 S N -0.486 115.161 115.700 -0.088 0.000 2.579 74 S HA 0.253 4.723 4.470 -0.000 0.000 0.290 74 S C -0.846 173.724 174.600 -0.051 0.000 1.123 74 S CA -0.651 57.500 58.200 -0.082 0.000 0.894 74 S CB 0.759 63.891 63.200 -0.114 0.000 1.095 74 S HN 0.513 nan 8.310 nan 0.000 0.450 75 S N 2.940 118.613 115.700 -0.046 0.000 2.579 75 S HA 0.411 4.881 4.470 -0.000 0.000 0.275 75 S C -2.577 172.001 174.600 -0.037 0.000 1.345 75 S CA -0.909 57.270 58.200 -0.036 0.000 1.031 75 S CB -0.661 62.516 63.200 -0.039 0.000 0.892 75 S HN 0.495 nan 8.310 nan 0.000 0.529 76 P HA 0.262 nan 4.420 nan 0.000 0.271 76 P C 0.146 177.394 177.300 -0.087 0.000 1.220 76 P CA -0.401 62.685 63.100 -0.024 0.000 0.768 76 P CB 0.612 32.315 31.700 0.005 0.000 0.848 77 V N 2.016 121.838 119.914 -0.154 0.000 2.735 77 V HA 0.133 4.253 4.120 -0.000 0.000 0.234 77 V C 0.777 176.575 176.094 -0.492 0.000 1.121 77 V CA 0.869 62.922 62.300 -0.412 0.000 1.160 77 V CB -0.573 30.883 31.823 -0.611 0.000 0.908 77 V HN 0.391 nan 8.190 nan 0.000 0.495 78 F N 1.085 121.003 119.950 -0.053 0.000 2.848 78 F HA 0.650 5.177 4.527 -0.000 0.000 0.321 78 F C 0.930 176.779 175.800 0.081 0.000 1.281 78 F CA 0.263 58.253 58.000 -0.017 0.000 1.209 78 F CB 0.468 39.372 39.000 -0.160 0.000 1.152 78 F HN 0.360 nan 8.300 nan 0.000 0.521 79 G N 0.100 109.011 108.800 0.185 0.000 2.698 79 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.225 79 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.225 79 G C -0.417 174.567 174.900 0.139 0.000 1.345 79 G CA -0.870 44.324 45.100 0.156 0.000 0.871 79 G HN 0.253 nan 8.290 nan 0.000 0.540 80 S N 0.723 116.499 115.700 0.127 0.000 2.506 80 S HA 0.253 4.723 4.470 -0.000 0.000 0.291 80 S C 0.895 175.588 174.600 0.155 0.000 1.230 80 S CA -0.124 58.144 58.200 0.112 0.000 1.107 80 S CB -0.403 62.852 63.200 0.092 0.000 0.942 80 S HN 0.730 nan 8.310 nan 0.000 0.502 81 N N 3.036 121.821 118.700 0.143 0.000 2.415 81 N HA 0.113 4.852 4.740 -0.000 0.000 0.248 81 N C -0.846 174.762 175.510 0.163 0.000 1.271 81 N CA 0.008 53.166 53.050 0.181 0.000 0.913 81 N CB 0.888 39.452 38.487 0.127 0.000 1.129 81 N HN 0.323 nan 8.380 nan 0.000 0.444 82 V N 2.945 122.987 119.914 0.215 0.000 2.313 82 V HA 0.106 4.226 4.120 -0.000 0.000 0.278 82 V C 0.331 176.493 176.094 0.114 0.000 1.017 82 V CA -0.517 61.849 62.300 0.110 0.000 0.823 82 V CB 1.234 33.049 31.823 -0.013 0.000 1.010 82 V HN 0.609 nan 8.190 nan 0.000 0.443 83 D N 2.942 123.368 120.400 0.043 0.000 2.183 83 D HA -0.022 4.618 4.640 -0.000 0.000 0.203 83 D C 0.441 176.763 176.300 0.038 0.000 0.969 83 D CA 1.350 55.356 54.000 0.010 0.000 0.842 83 D CB 0.116 40.904 40.800 -0.020 0.000 0.957 83 D HN 0.572 nan 8.370 nan 0.000 0.484 84 N N -0.478 118.221 118.700 -0.001 0.000 2.483 84 N HA 0.362 5.101 4.740 -0.000 0.000 0.267 84 N C -1.442 173.975 175.510 -0.155 0.000 0.998 84 N CA -0.354 52.668 53.050 -0.046 0.000 0.918 84 N CB 2.536 40.990 38.487 -0.055 0.000 1.215 84 N HN -0.256 nan 8.380 nan 0.000 0.500 85 V N 2.407 122.188 119.914 -0.221 0.000 2.547 85 V HA 0.437 4.557 4.120 -0.000 0.000 0.299 85 V C -0.383 175.525 176.094 -0.310 0.000 1.040 85 V CA -0.854 61.186 62.300 -0.433 0.000 0.913 85 V CB 1.699 33.091 31.823 -0.719 0.000 0.992 85 V HN 0.466 nan 8.190 nan 0.000 0.449 86 L N 5.368 126.426 121.223 -0.276 0.000 2.282 86 L HA 0.635 4.975 4.340 -0.000 0.000 0.288 86 L C -0.717 176.039 176.870 -0.191 0.000 1.033 86 L CA -0.194 54.531 54.840 -0.192 0.000 0.807 86 L CB 1.378 43.354 42.059 -0.140 0.000 1.209 86 L HN 0.647 nan 8.230 nan 0.000 0.423 87 L N 4.944 126.068 121.223 -0.165 0.000 2.282 87 L HA 0.629 4.968 4.340 -0.000 0.000 0.288 87 L C -0.596 176.187 176.870 -0.145 0.000 1.033 87 L CA 0.465 55.226 54.840 -0.132 0.000 0.807 87 L CB 1.487 43.493 42.059 -0.088 0.000 1.209 87 L HN 0.700 nan 8.230 nan 0.000 0.423 88 T N 5.027 119.451 114.554 -0.217 0.000 2.812 88 T HA 0.822 5.172 4.350 -0.000 0.000 0.282 88 T C -0.591 173.822 174.700 -0.478 0.000 0.990 88 T CA -0.343 61.578 62.100 -0.299 0.000 0.960 88 T CB 1.416 70.134 68.868 -0.250 0.000 0.948 88 T HN 0.816 nan 8.240 nan 0.000 0.438 89 A N 3.387 125.804 122.820 -0.672 0.000 2.355 89 A HA 0.771 5.090 4.320 -0.000 0.000 0.317 89 A C -0.601 176.569 177.584 -0.691 0.000 1.094 89 A CA -0.821 50.703 52.037 -0.855 0.000 0.764 89 A CB 1.064 19.304 19.000 -1.266 0.000 1.230 89 A HN 0.799 nan 8.150 nan 0.000 0.448 90 E N 1.233 121.047 120.200 -0.643 0.000 2.218 90 E HA 0.305 4.655 4.350 -0.000 0.000 0.263 90 E C -1.795 174.626 176.600 -0.297 0.000 0.879 90 E CA -0.429 55.712 56.400 -0.432 0.000 0.762 90 E CB 1.598 31.045 29.700 -0.421 0.000 1.166 90 E HN 0.607 nan 8.360 nan 0.000 0.415 91 Y N 2.866 123.214 120.300 0.079 0.000 2.570 91 Y HA 0.023 4.573 4.550 -0.000 0.000 0.336 91 Y C 1.434 177.332 175.900 -0.004 0.000 1.284 91 Y CA 0.089 58.334 58.100 0.241 0.000 1.761 91 Y CB -0.161 38.433 38.460 0.224 0.000 1.724 91 Y HN 0.541 nan 8.280 nan 0.000 0.455 92 Q N 0.723 120.488 119.800 -0.059 0.000 2.083 92 Q HA -0.049 4.290 4.340 -0.000 0.000 0.198 92 Q C 0.809 176.866 176.000 0.095 0.000 0.969 92 Q CA 1.540 57.129 55.803 -0.357 0.000 0.838 92 Q CB 0.234 28.763 28.738 -0.348 0.000 0.900 92 Q HN 0.650 nan 8.270 nan 0.000 0.436 93 T N -5.105 109.576 114.554 0.211 0.000 2.812 93 T HA 0.285 4.635 4.350 -0.000 0.000 0.294 93 T C 0.565 175.438 174.700 0.288 0.000 1.159 93 T CA -0.542 61.697 62.100 0.232 0.000 1.008 93 T CB 1.457 70.446 68.868 0.203 0.000 1.289 93 T HN -0.150 nan 8.240 nan 0.000 0.514 94 S N 0.664 116.488 115.700 0.207 0.000 2.419 94 S HA -0.057 4.412 4.470 -0.000 0.000 0.235 94 S C 1.281 176.073 174.600 0.319 0.000 1.019 94 S CA 1.079 59.382 58.200 0.172 0.000 0.982 94 S CB -0.447 62.813 63.200 0.099 0.000 0.789 94 S HN 0.729 nan 8.310 nan 0.000 0.490 95 N N 0.044 118.955 118.700 0.350 0.000 2.170 95 N HA 0.147 4.887 4.740 -0.000 0.000 0.222 95 N C 0.034 175.740 175.510 0.325 0.000 1.218 95 N CA -0.005 53.262 53.050 0.362 0.000 0.889 95 N CB 0.979 39.618 38.487 0.254 0.000 1.083 95 N HN 0.230 nan 8.380 nan 0.000 0.520 96 R N 0.743 121.436 120.500 0.321 0.000 2.532 96 R HA 0.304 4.644 4.340 -0.000 0.000 0.297 96 R C -1.885 174.479 176.300 0.107 0.000 0.984 96 R CA -0.475 55.713 56.100 0.148 0.000 0.884 96 R CB 1.217 31.647 30.300 0.216 0.000 1.182 96 R HN -0.182 nan 8.270 nan 0.000 0.442 97 F N 3.496 123.241 119.950 -0.341 0.000 2.508 97 F HA 0.452 4.978 4.527 -0.000 0.000 0.325 97 F C -1.142 174.520 175.800 -0.231 0.000 1.090 97 F CA -0.828 56.970 58.000 -0.338 0.000 0.945 97 F CB 1.439 40.043 39.000 -0.660 0.000 1.156 97 F HN 0.667 nan 8.300 nan 0.000 0.463 98 H N 6.035 124.468 119.070 -1.062 0.000 2.589 98 H HA 0.576 5.132 4.556 -0.000 0.000 0.351 98 H C -1.792 172.738 175.328 -1.330 0.000 1.074 98 H CA -1.127 54.228 56.048 -1.155 0.000 1.203 98 H CB 1.234 30.466 29.762 -0.884 0.000 1.558 98 H HN 0.511 nan 8.280 nan 0.000 0.522 99 F N 2.543 121.625 119.950 -1.446 0.000 2.591 99 F HA 0.639 5.166 4.527 -0.000 0.000 0.309 99 F C -1.732 173.559 175.800 -0.848 0.000 1.098 99 F CA -1.041 56.261 58.000 -1.163 0.000 0.937 99 F CB 1.565 40.067 39.000 -0.830 0.000 1.250 99 F HN 0.553 nan 8.300 nan 0.000 0.447 100 K N 3.336 123.371 120.400 -0.607 0.000 2.426 100 K HA 0.799 5.119 4.320 -0.000 0.000 0.251 100 K C -2.060 174.456 176.600 -0.140 0.000 0.941 100 K CA -0.955 55.082 56.287 -0.416 0.000 0.808 100 K CB 2.847 35.092 32.500 -0.424 0.000 1.265 100 K HN 0.835 nan 8.250 nan 0.000 0.432 101 L N 2.369 123.578 121.223 -0.024 0.000 2.298 101 L HA 0.445 4.785 4.340 -0.000 0.000 0.284 101 L C -0.373 176.601 176.870 0.174 0.000 1.013 101 L CA -0.316 54.569 54.840 0.075 0.000 0.824 101 L CB 1.944 44.136 42.059 0.221 0.000 1.221 101 L HN 0.971 nan 8.230 nan 0.000 0.418 102 T N -2.365 112.174 114.554 -0.024 0.000 2.910 102 T HA 0.380 4.730 4.350 -0.000 0.000 0.287 102 T C -0.761 173.751 174.700 -0.314 0.000 1.050 102 T CA -0.904 61.179 62.100 -0.029 0.000 1.011 102 T CB 2.081 70.915 68.868 -0.057 0.000 1.195 102 T HN 0.302 nan 8.240 nan 0.000 0.540 103 D N 0.364 120.623 120.400 -0.235 0.000 2.317 103 D HA 0.149 4.789 4.640 -0.000 0.000 0.252 103 D C 1.186 177.384 176.300 -0.170 0.000 1.174 103 D CA -0.065 53.762 54.000 -0.287 0.000 0.866 103 D CB 1.283 42.005 40.800 -0.130 0.000 1.127 103 D HN 0.542 nan 8.370 nan 0.000 0.467 104 Q N 1.651 121.344 119.800 -0.179 0.000 2.152 104 Q HA -0.174 4.166 4.340 -0.000 0.000 0.206 104 Q C 1.529 177.485 176.000 -0.072 0.000 0.985 104 Q CA 2.078 57.812 55.803 -0.114 0.000 0.863 104 Q CB 0.138 28.815 28.738 -0.103 0.000 0.904 104 Q HN 0.696 nan 8.270 nan 0.000 0.422 105 T N -3.655 110.861 114.554 -0.064 0.000 3.037 105 T HA 0.095 4.445 4.350 -0.000 0.000 0.252 105 T C 0.317 175.004 174.700 -0.021 0.000 1.073 105 T CA 0.016 62.094 62.100 -0.036 0.000 1.091 105 T CB 0.182 69.033 68.868 -0.028 0.000 0.935 105 T HN 0.055 nan 8.240 nan 0.000 0.488 106 N N 0.904 119.592 118.700 -0.021 0.000 2.249 106 N HA 0.426 5.166 4.740 -0.000 0.000 0.296 106 N C -1.597 173.916 175.510 0.006 0.000 1.051 106 N CA -0.798 52.253 53.050 0.002 0.000 0.815 106 N CB 1.449 39.948 38.487 0.021 0.000 1.487 106 N HN 0.226 nan 8.380 nan 0.000 0.475 107 N N 0.925 119.633 118.700 0.012 0.000 2.508 107 N HA 0.292 5.032 4.740 -0.000 0.000 0.264 107 N C -0.516 175.024 175.510 0.049 0.000 1.216 107 N CA 0.054 53.114 53.050 0.016 0.000 0.943 107 N CB 0.920 39.411 38.487 0.007 0.000 1.113 107 N HN 0.275 nan 8.380 nan 0.000 0.447 108 R N 0.566 121.102 120.500 0.059 0.000 2.888 108 R HA 0.328 4.668 4.340 -0.000 0.000 0.264 108 R C -0.997 175.368 176.300 0.108 0.000 1.045 108 R CA -0.951 55.219 56.100 0.117 0.000 0.962 108 R CB 1.237 31.633 30.300 0.160 0.000 1.210 108 R HN 0.412 nan 8.270 nan 0.000 0.479 109 F N 2.003 121.976 119.950 0.037 0.000 2.607 109 F HA 0.008 4.534 4.527 -0.000 0.000 0.374 109 F C -0.209 175.582 175.800 -0.016 0.000 1.104 109 F CA 0.818 58.828 58.000 0.015 0.000 1.296 109 F CB 0.514 39.540 39.000 0.044 0.000 1.085 109 F HN 0.304 nan 8.300 nan 0.000 0.584 110 E N 4.507 124.140 120.200 -0.946 0.000 2.272 110 E HA 0.311 4.661 4.350 -0.000 0.000 0.269 110 E C -1.181 174.783 176.600 -1.059 0.000 0.877 110 E CA -1.208 54.760 56.400 -0.719 0.000 0.755 110 E CB 2.217 31.689 29.700 -0.381 0.000 1.192 110 E HN 0.325 nan 8.360 nan 0.000 0.422 111 V N 4.082 123.635 119.914 -0.602 0.000 2.509 111 V HA 0.018 4.138 4.120 -0.000 0.000 0.297 111 V C -1.668 174.170 176.094 -0.426 0.000 1.014 111 V CA -0.578 61.469 62.300 -0.420 0.000 1.127 111 V CB -0.292 31.466 31.823 -0.109 0.000 0.925 111 V HN 0.599 nan 8.190 nan 0.000 0.480 112 P HA 0.115 nan 4.420 nan 0.000 0.225 112 P C 0.073 177.077 177.300 -0.492 0.000 1.813 112 P CA -0.249 62.447 63.100 -0.673 0.000 1.013 112 P CB -0.148 30.837 31.700 -1.192 0.000 1.961 113 H N 2.347 121.273 119.070 -0.239 0.000 2.928 113 H HA -0.023 4.533 4.556 -0.000 0.000 0.338 113 H C 1.146 176.546 175.328 0.121 0.000 1.047 113 H CA 0.586 56.636 56.048 0.004 0.000 1.435 113 H CB 1.098 30.892 29.762 0.053 0.000 1.428 113 H HN 0.276 nan 8.280 nan 0.000 0.590 114 E N 3.689 123.915 120.200 0.043 0.000 2.216 114 E HA -0.168 4.181 4.350 -0.000 0.000 0.192 114 E C 0.930 177.682 176.600 0.254 0.000 0.988 114 E CA 1.007 57.511 56.400 0.173 0.000 0.834 114 E CB 0.188 30.004 29.700 0.194 0.000 0.772 114 E HN 0.789 nan 8.360 nan 0.000 0.479 115 H N -1.020 118.220 119.070 0.283 0.000 2.430 115 H HA 0.223 4.779 4.556 -0.000 0.000 0.297 115 H C 0.255 175.703 175.328 0.201 0.000 1.016 115 H CA 0.445 56.646 56.048 0.255 0.000 1.294 115 H CB 0.386 30.287 29.762 0.232 0.000 1.465 115 H HN -0.173 nan 8.280 nan 0.000 0.547 116 V N 3.157 123.283 119.914 0.353 0.000 2.599 116 V HA 0.011 4.131 4.120 -0.000 0.000 0.300 116 V C 0.028 176.133 176.094 0.019 0.000 1.034 116 V CA 0.581 62.908 62.300 0.046 0.000 1.115 116 V CB 0.918 32.694 31.823 -0.078 0.000 0.934 116 V HN 0.489 nan 8.190 nan 0.000 0.485 117 Q N 2.242 122.022 119.800 -0.032 0.000 2.306 117 Q HA 0.528 4.868 4.340 -0.000 0.000 0.269 117 Q C 0.006 176.017 176.000 0.019 0.000 1.053 117 Q CA -0.688 55.106 55.803 -0.014 0.000 0.879 117 Q CB 1.983 30.700 28.738 -0.035 0.000 1.344 117 Q HN 0.887 nan 8.270 nan 0.000 0.464 118 S N -0.047 115.667 115.700 0.024 0.000 2.593 118 S HA 0.317 4.787 4.470 -0.000 0.000 0.269 118 S C -0.492 174.181 174.600 0.122 0.000 1.334 118 S CA -0.616 57.621 58.200 0.063 0.000 1.015 118 S CB 0.394 63.615 63.200 0.036 0.000 0.912 118 S HN 0.457 nan 8.310 nan 0.000 0.541 119 F N 2.220 122.168 119.950 -0.003 0.000 2.394 119 F HA 0.554 5.081 4.527 -0.000 0.000 0.340 119 F C 0.336 176.143 175.800 0.012 0.000 1.105 119 F CA -0.246 57.761 58.000 0.012 0.000 1.124 119 F CB 1.100 40.121 39.000 0.035 0.000 1.145 119 F HN 0.863 nan 8.300 nan 0.000 0.505 120 S N 3.666 119.026 115.700 -0.566 0.000 2.634 120 S HA 0.938 5.408 4.470 -0.000 0.000 0.296 120 S C -0.018 174.138 174.600 -0.740 0.000 1.104 120 S CA -0.324 57.589 58.200 -0.478 0.000 0.920 120 S CB 1.226 64.288 63.200 -0.228 0.000 1.111 120 S HN 1.722 nan 8.310 nan 0.000 0.493 121 G N 1.632 110.203 108.800 -0.382 0.000 2.553 121 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.242 121 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.242 121 G C -1.121 173.694 174.900 -0.142 0.000 1.277 121 G CA -0.335 44.607 45.100 -0.263 0.000 0.910 121 G HN 0.929 nan 8.290 nan 0.000 0.576 122 N N 0.657 119.365 118.700 0.014 0.000 2.384 122 N HA 0.656 5.396 4.740 -0.000 0.000 0.301 122 N C 0.531 176.259 175.510 0.363 0.000 1.133 122 N CA 0.260 53.422 53.050 0.187 0.000 0.853 122 N CB 1.646 40.201 38.487 0.112 0.000 1.241 122 N HN 1.301 nan 8.380 nan 0.000 0.502 123 A N 0.631 123.664 122.820 0.355 0.000 2.540 123 A HA 0.426 4.745 4.320 -0.000 0.000 0.239 123 A C 0.632 178.366 177.584 0.251 0.000 1.061 123 A CA -0.228 52.031 52.037 0.369 0.000 0.758 123 A CB -0.315 18.907 19.000 0.369 0.000 0.991 123 A HN 0.737 nan 8.150 nan 0.000 0.502 124 A N 1.871 124.839 122.820 0.247 0.000 2.466 124 A HA 0.540 4.859 4.320 -0.000 0.000 0.238 124 A C 0.909 178.524 177.584 0.052 0.000 1.074 124 A CA 0.309 52.443 52.037 0.161 0.000 0.774 124 A CB -0.174 18.930 19.000 0.173 0.000 1.015 124 A HN 2.156 nan 8.150 nan 0.000 0.498 125 A N 0.720 123.560 122.820 0.034 0.000 2.257 125 A HA 0.599 4.919 4.320 -0.000 0.000 0.289 125 A C 0.891 178.450 177.584 -0.041 0.000 1.095 125 A CA 0.283 52.309 52.037 -0.017 0.000 0.836 125 A CB -0.229 18.771 19.000 0.000 0.000 1.111 125 A HN 2.103 nan 8.150 nan 0.000 0.497 126 S N -1.137 114.520 115.700 -0.072 0.000 3.711 126 S HA -0.120 4.350 4.470 -0.000 0.000 0.374 126 S C -0.015 174.520 174.600 -0.109 0.000 0.969 126 S CA 0.607 58.763 58.200 -0.073 0.000 1.198 126 S CB -2.007 61.176 63.200 -0.029 0.000 0.903 126 S HN 0.590 nan 8.310 nan 0.000 0.493 127 L N 1.184 122.277 121.223 -0.218 0.000 2.456 127 L HA 0.178 4.518 4.340 -0.000 0.000 0.272 127 L C 1.932 178.640 176.870 -0.270 0.000 1.189 127 L CA 0.402 55.022 54.840 -0.366 0.000 0.846 127 L CB 0.359 41.977 42.059 -0.737 0.000 1.111 127 L HN 0.585 nan 8.230 nan 0.000 0.475 128 T N -1.676 112.784 114.554 -0.157 0.000 3.129 128 T HA 0.066 4.415 4.350 -0.000 0.000 0.251 128 T C 0.030 174.745 174.700 0.025 0.000 1.117 128 T CA 0.085 62.179 62.100 -0.009 0.000 1.034 128 T CB -0.276 68.660 68.868 0.114 0.000 0.968 128 T HN 0.502 nan 8.240 nan 0.000 0.526 129 Y N -0.686 119.597 120.300 -0.029 0.000 2.605 129 Y HA 0.772 5.322 4.550 -0.000 0.000 0.343 129 Y C -0.601 175.239 175.900 -0.100 0.000 1.036 129 Y CA -1.768 56.296 58.100 -0.061 0.000 1.065 129 Y CB 1.415 39.841 38.460 -0.056 0.000 1.288 129 Y HN 0.075 nan 8.280 nan 0.000 0.481 130 Q N 1.492 121.302 119.800 0.017 0.000 2.397 130 Q HA 0.752 5.092 4.340 -0.000 0.000 0.275 130 Q C -2.220 173.775 176.000 -0.008 0.000 1.090 130 Q CA -1.065 54.704 55.803 -0.056 0.000 0.809 130 Q CB 2.907 31.595 28.738 -0.084 0.000 1.362 130 Q HN 0.795 nan 8.270 nan 0.000 0.431 131 V N 2.539 122.443 119.914 -0.016 0.000 2.495 131 V HA 0.422 4.542 4.120 -0.000 0.000 0.298 131 V C -0.770 175.280 176.094 -0.074 0.000 1.031 131 V CA -0.635 61.614 62.300 -0.085 0.000 0.871 131 V CB 1.681 33.413 31.823 -0.153 0.000 0.988 131 V HN 0.841 nan 8.190 nan 0.000 0.432 132 E N 4.628 124.768 120.200 -0.100 0.000 2.238 132 E HA 0.605 4.955 4.350 -0.000 0.000 0.267 132 E C -1.460 175.063 176.600 -0.129 0.000 0.887 132 E CA -0.533 55.797 56.400 -0.117 0.000 0.769 132 E CB 1.509 31.148 29.700 -0.101 0.000 1.187 132 E HN 0.456 nan 8.360 nan 0.000 0.416 133 I N 2.759 123.243 120.570 -0.143 0.000 2.404 133 I HA 0.354 4.524 4.170 -0.000 0.000 0.293 133 I C -0.087 175.967 176.117 -0.105 0.000 0.992 133 I CA -0.697 60.530 61.300 -0.121 0.000 1.149 133 I CB 1.265 39.236 38.000 -0.048 0.000 1.315 133 I HN 0.461 nan 8.210 nan 0.000 0.446 134 S N 4.803 120.423 115.700 -0.134 0.000 2.549 134 S HA 0.536 5.006 4.470 -0.000 0.000 0.297 134 S C 0.854 175.460 174.600 0.010 0.000 1.115 134 S CA -0.543 57.614 58.200 -0.071 0.000 1.059 134 S CB 1.330 64.476 63.200 -0.091 0.000 1.046 134 S HN 0.630 nan 8.310 nan 0.000 0.506 135 R N 1.271 121.811 120.500 0.066 0.000 2.250 135 R HA 0.289 4.629 4.340 -0.000 0.000 0.194 135 R C -0.290 176.123 176.300 0.188 0.000 0.927 135 R CA 0.074 56.268 56.100 0.158 0.000 1.052 135 R CB 0.240 30.619 30.300 0.131 0.000 1.055 135 R HN 0.426 nan 8.270 nan 0.000 0.537 136 Q N 1.685 121.556 119.800 0.117 0.000 2.771 136 Q HA 0.342 4.682 4.340 -0.000 0.000 0.247 136 Q C -2.417 173.637 176.000 0.089 0.000 0.986 136 Q CA -1.547 54.324 55.803 0.112 0.000 0.713 136 Q CB 1.731 30.498 28.738 0.049 0.000 1.241 136 Q HN 0.124 nan 8.270 nan 0.000 0.488 137 P HA 0.303 nan 4.420 nan 0.000 0.279 137 P C -0.352 177.069 177.300 0.202 0.000 1.276 137 P CA -0.710 62.509 63.100 0.199 0.000 0.801 137 P CB 0.807 32.624 31.700 0.195 0.000 1.127 138 F N 1.484 121.521 119.950 0.145 0.000 2.578 138 F HA 0.272 4.798 4.527 -0.000 0.000 0.381 138 F C 0.185 176.035 175.800 0.082 0.000 1.069 138 F CA 0.680 58.745 58.000 0.110 0.000 1.231 138 F CB 0.272 39.344 39.000 0.120 0.000 1.086 138 F HN 0.428 nan 8.300 nan 0.000 0.564 139 S N 6.978 122.163 115.700 -0.858 0.000 2.579 139 S HA 0.677 5.146 4.470 -0.000 0.000 0.272 139 S C -1.188 172.835 174.600 -0.962 0.000 1.141 139 S CA -1.018 56.615 58.200 -0.946 0.000 0.843 139 S CB 1.749 64.734 63.200 -0.358 0.000 1.122 139 S HN 0.924 nan 8.310 nan 0.000 0.468 140 I N 0.900 121.076 120.570 -0.658 0.000 2.509 140 I HA 0.699 4.868 4.170 -0.000 0.000 0.293 140 I C -1.139 174.895 176.117 -0.138 0.000 1.020 140 I CA -0.571 60.504 61.300 -0.376 0.000 1.088 140 I CB 1.675 39.419 38.000 -0.428 0.000 1.267 140 I HN 0.895 nan 8.210 nan 0.000 0.430 141 K N 6.541 126.873 120.400 -0.114 0.000 2.468 141 K HA 0.636 4.955 4.320 -0.000 0.000 0.252 141 K C -2.159 174.400 176.600 -0.068 0.000 0.932 141 K CA -0.629 55.637 56.287 -0.035 0.000 0.794 141 K CB 2.330 34.786 32.500 -0.073 0.000 1.241 141 K HN 0.466 nan 8.250 nan 0.000 0.428 142 V N 3.134 123.031 119.914 -0.029 0.000 2.444 142 V HA 0.412 4.532 4.120 -0.000 0.000 0.294 142 V C -0.225 175.821 176.094 -0.079 0.000 1.022 142 V CA -0.637 61.607 62.300 -0.093 0.000 0.850 142 V CB 1.495 33.244 31.823 -0.124 0.000 0.992 142 V HN 0.977 nan 8.190 nan 0.000 0.426 143 T N 1.922 116.443 114.554 -0.055 0.000 2.908 143 T HA 0.610 4.960 4.350 -0.000 0.000 0.290 143 T C -0.371 174.317 174.700 -0.019 0.000 1.034 143 T CA -0.897 61.166 62.100 -0.061 0.000 1.010 143 T CB 1.872 70.707 68.868 -0.056 0.000 1.068 143 T HN 0.598 nan 8.240 nan 0.000 0.481 144 R N 1.186 121.667 120.500 -0.033 0.000 2.316 144 R HA 0.287 4.626 4.340 -0.000 0.000 0.314 144 R C 1.336 177.634 176.300 -0.004 0.000 1.069 144 R CA -0.442 55.662 56.100 0.006 0.000 0.959 144 R CB 0.412 30.712 30.300 -0.001 0.000 0.987 144 R HN 0.748 nan 8.270 nan 0.000 0.446 145 R N 1.117 121.615 120.500 -0.004 0.000 2.115 145 R HA -0.115 4.225 4.340 -0.000 0.000 0.230 145 R C 2.143 178.431 176.300 -0.020 0.000 1.111 145 R CA 1.744 57.826 56.100 -0.030 0.000 0.976 145 R CB -0.032 30.233 30.300 -0.059 0.000 0.870 145 R HN 0.738 nan 8.270 nan 0.000 0.445 146 S N 1.577 117.274 115.700 -0.006 0.000 2.399 146 S HA -0.121 4.349 4.470 -0.000 0.000 0.231 146 S C 1.254 175.855 174.600 0.002 0.000 1.022 146 S CA 1.426 59.626 58.200 0.000 0.000 0.983 146 S CB -0.140 63.067 63.200 0.012 0.000 0.803 146 S HN 0.463 nan 8.310 nan 0.000 0.480 147 N N -0.107 118.594 118.700 0.001 0.000 2.116 147 N HA 0.126 4.865 4.740 -0.000 0.000 0.230 147 N C -0.365 175.142 175.510 -0.005 0.000 1.326 147 N CA 0.182 53.234 53.050 0.003 0.000 0.867 147 N CB -1.340 37.155 38.487 0.014 0.000 1.174 147 N HN 0.456 nan 8.380 nan 0.000 0.506 148 N N -0.387 118.304 118.700 -0.014 0.000 2.741 148 N HA -0.267 4.473 4.740 -0.000 0.000 0.251 148 N C -0.669 174.824 175.510 -0.030 0.000 1.112 148 N CA 0.678 53.714 53.050 -0.024 0.000 0.750 148 N CB -0.930 37.543 38.487 -0.023 0.000 1.119 148 N HN 0.361 nan 8.380 nan 0.000 0.561 149 R N 0.983 121.465 120.500 -0.029 0.000 2.401 149 R HA 0.311 4.651 4.340 -0.000 0.000 0.299 149 R C -0.674 175.581 176.300 -0.076 0.000 1.064 149 R CA -0.165 55.910 56.100 -0.041 0.000 1.000 149 R CB 0.654 30.937 30.300 -0.029 0.000 0.973 149 R HN 0.051 nan 8.270 nan 0.000 0.438 150 V N 8.026 127.892 119.914 -0.081 0.000 2.427 150 V HA 0.056 4.175 4.120 -0.000 0.000 0.268 150 V C 1.193 177.180 176.094 -0.179 0.000 1.046 150 V CA 0.018 62.254 62.300 -0.107 0.000 0.970 150 V CB 0.764 32.538 31.823 -0.081 0.000 1.001 150 V HN 0.795 nan 8.190 nan 0.000 0.476 151 L N 4.232 125.286 121.223 -0.282 0.000 2.276 151 L HA 0.328 4.668 4.340 -0.000 0.000 0.194 151 L C 0.617 177.241 176.870 -0.409 0.000 1.099 151 L CA 0.795 55.232 54.840 -0.671 0.000 0.800 151 L CB 0.028 41.480 42.059 -1.012 0.000 0.994 151 L HN 0.472 nan 8.230 nan 0.000 0.475 152 F N 0.949 120.707 119.950 -0.321 0.000 2.436 152 F HA 0.378 4.905 4.527 -0.000 0.000 0.340 152 F C -0.774 174.952 175.800 -0.124 0.000 1.113 152 F CA -0.663 57.270 58.000 -0.112 0.000 1.022 152 F CB 1.182 40.150 39.000 -0.054 0.000 1.128 152 F HN -0.098 nan 8.300 nan 0.000 0.466 153 D N 2.840 123.103 120.400 -0.228 0.000 2.470 153 D HA 0.114 4.754 4.640 -0.000 0.000 0.233 153 D C 0.035 176.201 176.300 -0.223 0.000 1.372 153 D CA -0.179 53.745 54.000 -0.126 0.000 0.994 153 D CB 1.437 42.168 40.800 -0.115 0.000 1.377 153 D HN 0.420 nan 8.370 nan 0.000 0.586 154 S N 1.409 117.031 115.700 -0.129 0.000 2.562 154 S HA -0.080 4.389 4.470 -0.000 0.000 0.221 154 S C 1.658 176.201 174.600 -0.096 0.000 0.975 154 S CA 0.713 58.841 58.200 -0.120 0.000 0.918 154 S CB -0.270 62.952 63.200 0.036 0.000 0.772 154 S HN 0.348 nan 8.310 nan 0.000 0.531 155 S N 1.388 117.025 115.700 -0.105 0.000 2.537 155 S HA 0.061 4.531 4.470 -0.000 0.000 0.240 155 S C 1.526 176.107 174.600 -0.033 0.000 0.981 155 S CA 0.521 58.677 58.200 -0.072 0.000 0.948 155 S CB -0.846 62.309 63.200 -0.075 0.000 0.759 155 S HN 0.663 nan 8.310 nan 0.000 0.531 156 I N 1.127 121.669 120.570 -0.046 0.000 2.546 156 I HA 0.165 4.335 4.170 -0.000 0.000 0.255 156 I C 1.043 177.176 176.117 0.025 0.000 1.163 156 I CA 0.799 62.088 61.300 -0.020 0.000 1.457 156 I CB -0.352 37.616 38.000 -0.053 0.000 1.092 156 I HN 0.493 nan 8.210 nan 0.000 0.434 157 G N 0.262 109.071 108.800 0.014 0.000 2.766 157 G HA2 0.517 4.477 3.960 -0.000 0.000 0.288 157 G HA3 0.517 4.477 3.960 -0.000 0.000 0.288 157 G C -2.933 171.971 174.900 0.008 0.000 1.408 157 G CA -0.852 44.263 45.100 0.026 0.000 0.852 157 G HN -0.098 nan 8.290 nan 0.000 0.487 158 P HA 0.361 nan 4.420 nan 0.000 0.276 158 P C -0.774 176.576 177.300 0.083 0.000 1.244 158 P CA -0.527 62.566 63.100 -0.012 0.000 0.801 158 P CB 1.757 33.306 31.700 -0.251 0.000 1.006 159 L N 2.390 123.764 121.223 0.252 0.000 2.276 159 L HA 0.359 4.699 4.340 -0.000 0.000 0.286 159 L C -0.916 176.155 176.870 0.335 0.000 1.061 159 L CA -0.098 54.912 54.840 0.284 0.000 0.807 159 L CB -0.261 41.983 42.059 0.309 0.000 1.177 159 L HN 0.187 nan 8.230 nan 0.000 0.429 160 L N 6.221 127.608 121.223 0.273 0.000 2.341 160 L HA 0.496 4.836 4.340 -0.000 0.000 0.278 160 L C -0.960 176.124 176.870 0.355 0.000 1.005 160 L CA -0.317 54.751 54.840 0.380 0.000 0.818 160 L CB 1.616 43.909 42.059 0.389 0.000 1.259 160 L HN 0.639 nan 8.230 nan 0.000 0.418 161 F N 3.001 123.138 119.950 0.312 0.000 3.050 161 F HA 0.638 5.165 4.527 -0.000 0.000 0.382 161 F C -0.040 175.908 175.800 0.247 0.000 1.246 161 F CA -0.435 57.686 58.000 0.200 0.000 1.217 161 F CB 0.799 39.830 39.000 0.052 0.000 1.795 161 F HN 0.543 nan 8.300 nan 0.000 0.622 162 A N 2.151 125.249 122.820 0.463 0.000 2.288 162 A HA 0.320 4.639 4.320 -0.000 0.000 0.328 162 A C 0.724 178.515 177.584 0.344 0.000 1.123 162 A CA -0.344 51.936 52.037 0.404 0.000 0.861 162 A CB 0.899 20.132 19.000 0.388 0.000 1.272 162 A HN 0.651 nan 8.150 nan 0.000 0.490 163 D N -0.625 119.949 120.400 0.289 0.000 2.182 163 D HA -0.135 4.505 4.640 -0.000 0.000 0.201 163 D C 1.032 177.463 176.300 0.219 0.000 0.986 163 D CA 1.888 56.032 54.000 0.239 0.000 0.847 163 D CB 0.213 41.120 40.800 0.177 0.000 0.942 163 D HN 0.562 nan 8.370 nan 0.000 0.467 164 Q N -1.417 118.537 119.800 0.257 0.000 2.115 164 Q HA 0.211 4.551 4.340 -0.000 0.000 0.249 164 Q C -1.099 175.111 176.000 0.349 0.000 0.830 164 Q CA -0.328 55.648 55.803 0.287 0.000 1.104 164 Q CB 1.099 30.003 28.738 0.277 0.000 1.207 164 Q HN 0.168 nan 8.270 nan 0.000 0.464 165 F N 1.028 121.041 119.950 0.105 0.000 2.991 165 F HA 0.363 4.890 4.527 -0.000 0.000 0.355 165 F C -2.267 173.529 175.800 -0.006 0.000 1.262 165 F CA -0.761 57.256 58.000 0.029 0.000 1.127 165 F CB 1.028 40.066 39.000 0.062 0.000 1.447 165 F HN -0.159 nan 8.300 nan 0.000 0.584 166 L N 5.369 126.334 121.223 -0.429 0.000 2.385 166 L HA 0.648 4.988 4.340 -0.000 0.000 0.273 166 L C -0.828 175.783 176.870 -0.431 0.000 0.990 166 L CA -0.392 54.215 54.840 -0.388 0.000 0.821 166 L CB 2.149 43.902 42.059 -0.510 0.000 1.279 166 L HN 0.625 nan 8.230 nan 0.000 0.412 167 Q N 2.810 122.481 119.800 -0.216 0.000 2.289 167 Q HA 0.777 5.116 4.340 -0.000 0.000 0.270 167 Q C -2.092 173.951 176.000 0.072 0.000 1.038 167 Q CA -0.700 55.038 55.803 -0.110 0.000 0.812 167 Q CB 2.737 31.408 28.738 -0.113 0.000 1.300 167 Q HN 0.571 nan 8.270 nan 0.000 0.427 168 L N 1.487 122.811 121.223 0.170 0.000 2.445 168 L HA 0.660 5.000 4.340 -0.000 0.000 0.262 168 L C -1.429 175.548 176.870 0.179 0.000 0.974 168 L CA -0.063 54.908 54.840 0.219 0.000 0.822 168 L CB 2.729 44.997 42.059 0.348 0.000 1.339 168 L HN 0.650 nan 8.230 nan 0.000 0.409 169 S N 0.936 116.678 115.700 0.069 0.000 2.607 169 S HA 0.833 5.303 4.470 -0.000 0.000 0.303 169 S C -0.929 173.551 174.600 -0.201 0.000 1.086 169 S CA -0.499 57.681 58.200 -0.033 0.000 0.995 169 S CB 1.853 65.032 63.200 -0.034 0.000 1.084 169 S HN 0.702 nan 8.310 nan 0.000 0.507 170 T N 1.472 115.838 114.554 -0.314 0.000 2.952 170 T HA 0.418 4.768 4.350 -0.000 0.000 0.305 170 T C -0.708 173.801 174.700 -0.318 0.000 1.064 170 T CA -0.765 61.015 62.100 -0.533 0.000 1.008 170 T CB 0.609 68.766 68.868 -1.185 0.000 1.078 170 T HN 0.544 nan 8.240 nan 0.000 0.459 171 R N 2.716 123.060 120.500 -0.260 0.000 2.738 171 R HA 0.524 4.864 4.340 -0.000 0.000 0.268 171 R C -0.365 175.856 176.300 -0.133 0.000 1.062 171 R CA -0.270 55.726 56.100 -0.174 0.000 1.158 171 R CB 0.409 30.628 30.300 -0.135 0.000 1.046 171 R HN 0.496 nan 8.270 nan 0.000 0.493 172 L N 2.115 123.287 121.223 -0.086 0.000 2.370 172 L HA 0.345 4.684 4.340 -0.000 0.000 0.266 172 L C -1.510 175.366 176.870 0.009 0.000 1.002 172 L CA -2.041 52.810 54.840 0.019 0.000 0.818 172 L CB 2.429 44.464 42.059 -0.039 0.000 1.325 172 L HN 0.473 nan 8.230 nan 0.000 0.418 173 P HA -0.028 nan 4.420 nan 0.000 0.229 173 P C 0.040 177.351 177.300 0.019 0.000 1.160 173 P CA 0.633 63.757 63.100 0.040 0.000 0.777 173 P CB 0.369 32.112 31.700 0.071 0.000 0.814 174 S N -2.339 113.361 115.700 0.000 0.000 2.643 174 S HA 0.374 4.844 4.470 -0.000 0.000 0.270 174 S C 0.368 174.905 174.600 -0.104 0.000 1.166 174 S CA -0.097 58.075 58.200 -0.047 0.000 0.815 174 S CB 0.795 63.947 63.200 -0.079 0.000 1.139 174 S HN -0.018 nan 8.310 nan 0.000 0.472 175 T N -1.348 113.138 114.554 -0.114 0.000 3.145 175 T HA 0.293 4.642 4.350 -0.000 0.000 0.255 175 T C -0.194 174.361 174.700 -0.241 0.000 1.039 175 T CA -0.431 61.568 62.100 -0.168 0.000 0.928 175 T CB -0.833 67.967 68.868 -0.113 0.000 1.029 175 T HN 0.507 nan 8.240 nan 0.000 0.554 176 N N 2.262 120.801 118.700 -0.269 0.000 2.807 176 N HA 0.343 5.083 4.740 -0.000 0.000 0.259 176 N C -1.119 174.004 175.510 -0.645 0.000 1.149 176 N CA -0.048 52.755 53.050 -0.412 0.000 1.042 176 N CB 1.289 39.581 38.487 -0.324 0.000 1.367 176 N HN 0.228 nan 8.380 nan 0.000 0.516 177 V N 2.690 122.050 119.914 -0.924 0.000 2.588 177 V HA 0.475 4.595 4.120 -0.000 0.000 0.304 177 V C -1.042 174.507 176.094 -0.909 0.000 1.042 177 V CA -0.674 61.192 62.300 -0.724 0.000 0.877 177 V CB 1.125 32.599 31.823 -0.581 0.000 0.996 177 V HN 0.347 nan 8.190 nan 0.000 0.425 178 Y N 2.173 122.364 120.300 -0.181 0.000 2.470 178 Y HA 0.871 5.421 4.550 -0.000 0.000 0.341 178 Y C 0.580 176.405 175.900 -0.125 0.000 1.021 178 Y CA 0.121 58.050 58.100 -0.285 0.000 1.025 178 Y CB 2.420 40.594 38.460 -0.478 0.000 1.266 178 Y HN 0.998 nan 8.280 nan 0.000 0.448 179 G N 1.046 109.925 108.800 0.131 0.000 2.280 179 G HA2 0.238 4.198 3.960 -0.000 0.000 0.277 179 G HA3 0.238 4.198 3.960 -0.000 0.000 0.277 179 G C -1.521 173.626 174.900 0.413 0.000 1.288 179 G CA -0.634 44.621 45.100 0.258 0.000 1.075 179 G HN 1.038 nan 8.290 nan 0.000 0.480 180 L N -1.729 119.773 121.223 0.466 0.000 0.588 180 L HA 0.227 4.567 4.340 -0.000 0.000 0.356 180 L C 0.680 177.761 176.870 0.352 0.000 1.005 180 L CA 0.749 55.765 54.840 0.294 0.000 1.223 180 L CB -1.069 41.054 42.059 0.105 0.000 0.021 180 L HN 2.638 nan 8.230 nan 0.000 0.093 181 G N 1.164 109.927 108.800 -0.061 0.000 2.451 181 G HA2 0.470 4.430 3.960 -0.000 0.000 0.292 181 G HA3 0.470 4.430 3.960 -0.000 0.000 0.292 181 G C -1.990 172.579 174.900 -0.552 0.000 1.427 181 G CA -0.321 44.544 45.100 -0.392 0.000 0.792 181 G HN 0.792 nan 8.290 nan 0.000 0.498 182 E N 0.181 120.093 120.200 -0.479 0.000 2.146 182 E HA 0.566 4.915 4.350 -0.000 0.000 0.282 182 E C -0.655 175.636 176.600 -0.515 0.000 0.989 182 E CA -0.661 55.568 56.400 -0.285 0.000 0.799 182 E CB 0.461 30.239 29.700 0.130 0.000 1.088 182 E HN 0.542 nan 8.360 nan 0.000 0.397 183 H N 1.623 120.608 119.070 -0.142 0.000 2.977 183 H HA 0.295 4.851 4.556 -0.000 0.000 0.350 183 H C -0.918 174.191 175.328 -0.364 0.000 1.238 183 H CA -0.870 55.025 56.048 -0.255 0.000 1.124 183 H CB 1.420 30.914 29.762 -0.446 0.000 1.866 183 H HN 0.204 nan 8.280 nan 0.000 0.550 184 V N 2.148 122.002 119.914 -0.100 0.000 2.284 184 V HA 0.048 4.168 4.120 -0.000 0.000 0.260 184 V C 0.727 176.668 176.094 -0.256 0.000 1.084 184 V CA 0.014 62.201 62.300 -0.189 0.000 0.894 184 V CB -0.403 31.321 31.823 -0.165 0.000 1.119 184 V HN 0.730 nan 8.190 nan 0.000 0.484 185 H N 2.678 121.626 119.070 -0.204 0.000 2.502 185 H HA -0.047 4.509 4.556 -0.000 0.000 0.283 185 H C 1.416 176.620 175.328 -0.206 0.000 1.015 185 H CA 0.776 56.650 56.048 -0.291 0.000 1.298 185 H CB 0.173 29.647 29.762 -0.481 0.000 1.411 185 H HN 0.749 nan 8.280 nan 0.000 0.556 186 Q N -0.918 118.763 119.800 -0.199 0.000 2.261 186 Q HA -0.253 4.087 4.340 -0.000 0.000 0.155 186 Q C -0.004 175.982 176.000 -0.022 0.000 0.598 186 Q CA 1.477 57.152 55.803 -0.212 0.000 1.376 186 Q CB -0.974 27.576 28.738 -0.313 0.000 1.356 186 Q HN 0.684 nan 8.270 nan 0.000 0.947 187 Q N -1.806 117.905 119.800 -0.148 0.000 2.501 187 Q HA 0.442 4.782 4.340 -0.000 0.000 0.288 187 Q C -0.149 175.715 176.000 -0.226 0.000 1.051 187 Q CA -0.838 54.685 55.803 -0.466 0.000 0.788 187 Q CB 0.607 29.105 28.738 -0.399 0.000 1.469 187 Q HN 0.059 nan 8.270 nan 0.000 0.416 188 Y N 1.127 121.238 120.300 -0.314 0.000 2.230 188 Y HA 0.245 4.795 4.550 -0.000 0.000 0.294 188 Y C 0.734 176.620 175.900 -0.024 0.000 1.120 188 Y CA 0.688 58.763 58.100 -0.042 0.000 1.129 188 Y CB 0.472 39.019 38.460 0.146 0.000 1.040 188 Y HN 0.681 nan 8.280 nan 0.000 0.519 189 R N 1.351 121.795 120.500 -0.094 0.000 2.442 189 R HA 0.048 4.387 4.340 -0.000 0.000 0.291 189 R C -1.019 175.038 176.300 -0.405 0.000 1.069 189 R CA -0.162 55.746 56.100 -0.319 0.000 1.022 189 R CB -0.014 30.253 30.300 -0.056 0.000 0.976 189 R HN 0.316 nan 8.270 nan 0.000 0.443 190 H N 1.879 120.659 119.070 -0.484 0.000 2.964 190 H HA -0.066 4.490 4.556 -0.000 0.000 0.328 190 H C -0.353 174.830 175.328 -0.241 0.000 1.030 190 H CA 0.661 56.481 56.048 -0.380 0.000 1.445 190 H CB 0.486 29.970 29.762 -0.463 0.000 1.449 190 H HN 0.480 nan 8.280 nan 0.000 0.581 191 D N 3.765 124.134 120.400 -0.053 0.000 2.363 191 D HA -0.065 4.575 4.640 -0.000 0.000 0.263 191 D C 0.231 176.513 176.300 -0.030 0.000 1.258 191 D CA 0.045 54.036 54.000 -0.016 0.000 0.907 191 D CB 0.525 41.347 40.800 0.036 0.000 1.107 191 D HN 0.437 nan 8.370 nan 0.000 0.495 192 M N 2.563 122.094 119.600 -0.115 0.000 2.493 192 M HA 0.064 4.544 4.480 -0.000 0.000 0.244 192 M C -0.122 176.002 176.300 -0.293 0.000 1.182 192 M CA -0.022 55.149 55.300 -0.215 0.000 0.981 192 M CB -1.009 31.438 32.600 -0.256 0.000 1.551 192 M HN 0.221 nan 8.290 nan 0.000 0.476 193 N N 0.496 119.088 118.700 -0.181 0.000 3.188 193 N HA 0.150 4.890 4.740 -0.000 0.000 0.279 193 N C -1.263 174.243 175.510 -0.006 0.000 1.213 193 N CA -0.229 52.724 53.050 -0.163 0.000 1.138 193 N CB -0.108 38.388 38.487 0.015 0.000 1.417 193 N HN 0.190 nan 8.380 nan 0.000 0.526 194 W N 0.644 121.887 121.300 -0.095 0.000 4.599 194 W HA -0.241 4.418 4.660 -0.000 0.000 0.437 194 W C -0.513 175.919 176.519 -0.144 0.000 1.771 194 W CA -0.041 57.237 57.345 -0.112 0.000 0.758 194 W CB -0.848 28.550 29.460 -0.104 0.000 2.910 194 W HN 0.093 nan 8.180 nan 0.000 0.944 195 K N 1.133 121.509 120.400 -0.040 0.000 2.378 195 K HA 0.714 5.034 4.320 -0.000 0.000 0.252 195 K C -0.056 176.377 176.600 -0.277 0.000 0.931 195 K CA -0.895 55.276 56.287 -0.194 0.000 0.794 195 K CB 2.061 34.461 32.500 -0.167 0.000 1.181 195 K HN -0.065 nan 8.250 nan 0.000 0.425 196 T N 1.585 115.872 114.554 -0.445 0.000 2.807 196 T HA 0.501 4.851 4.350 -0.000 0.000 0.279 196 T C -0.951 173.388 174.700 -0.602 0.000 0.993 196 T CA -0.565 61.333 62.100 -0.338 0.000 0.970 196 T CB 0.693 69.464 68.868 -0.160 0.000 0.950 196 T HN 0.368 nan 8.240 nan 0.000 0.441 197 W N 5.258 126.478 121.300 -0.134 0.000 2.393 197 W HA 0.384 5.044 4.660 -0.000 0.000 0.315 197 W C -2.385 174.103 176.519 -0.051 0.000 1.009 197 W CA -2.191 55.014 57.345 -0.232 0.000 1.313 197 W CB 1.367 30.581 29.460 -0.409 0.000 1.269 197 W HN 0.381 nan 8.180 nan 0.000 0.420 198 P HA 0.380 nan 4.420 nan 0.000 0.281 198 P C -0.586 176.968 177.300 0.425 0.000 1.249 198 P CA -0.033 63.210 63.100 0.240 0.000 0.810 198 P CB 1.985 33.763 31.700 0.130 0.000 1.008 199 I N 3.054 123.830 120.570 0.343 0.000 2.439 199 I HA 0.453 4.623 4.170 -0.000 0.000 0.285 199 I C -0.825 175.513 176.117 0.368 0.000 1.021 199 I CA -0.550 60.948 61.300 0.331 0.000 1.091 199 I CB 1.079 39.241 38.000 0.270 0.000 1.242 199 I HN 0.261 nan 8.210 nan 0.000 0.439 200 F N 5.926 125.957 119.950 0.134 0.000 2.775 200 F HA 0.341 4.868 4.527 -0.000 0.000 0.339 200 F C -1.050 174.865 175.800 0.192 0.000 1.159 200 F CA -0.794 57.292 58.000 0.143 0.000 1.145 200 F CB 0.952 39.980 39.000 0.047 0.000 1.408 200 F HN 0.316 nan 8.300 nan 0.000 0.597 201 N N 4.390 122.990 118.700 -0.166 0.000 2.454 201 N HA 0.406 5.146 4.740 -0.000 0.000 0.260 201 N C -0.712 174.793 175.510 -0.009 0.000 1.218 201 N CA 0.144 53.153 53.050 -0.068 0.000 0.904 201 N CB 0.833 39.224 38.487 -0.161 0.000 1.065 201 N HN 0.630 nan 8.380 nan 0.000 0.462 202 R N 0.943 121.467 120.500 0.040 0.000 2.563 202 R HA 0.148 4.487 4.340 -0.000 0.000 0.262 202 R C -2.007 174.316 176.300 0.038 0.000 1.128 202 R CA -0.645 55.495 56.100 0.067 0.000 0.969 202 R CB 0.690 31.047 30.300 0.096 0.000 1.251 202 R HN 0.382 nan 8.270 nan 0.000 0.442 203 D N 2.969 123.451 120.400 0.137 0.000 2.383 203 D HA 0.243 4.883 4.640 -0.000 0.000 0.245 203 D C -0.951 175.417 176.300 0.112 0.000 1.263 203 D CA 0.618 54.760 54.000 0.237 0.000 0.936 203 D CB 0.434 41.385 40.800 0.251 0.000 1.053 203 D HN 0.605 nan 8.370 nan 0.000 0.507 204 T N -0.332 114.190 114.554 -0.052 0.000 2.816 204 T HA 0.426 4.776 4.350 -0.000 0.000 0.299 204 T C -0.069 174.620 174.700 -0.018 0.000 1.230 204 T CA -0.945 61.147 62.100 -0.013 0.000 1.007 204 T CB 1.129 69.966 68.868 -0.052 0.000 1.289 204 T HN 0.078 nan 8.240 nan 0.000 0.508 205 T N 3.589 118.193 114.554 0.083 0.000 2.851 205 T HA 0.408 4.758 4.350 -0.000 0.000 0.298 205 T C -2.456 172.312 174.700 0.113 0.000 0.977 205 T CA -0.727 61.463 62.100 0.149 0.000 1.126 205 T CB 0.310 69.291 68.868 0.188 0.000 0.916 205 T HN 0.405 nan 8.240 nan 0.000 0.529 206 P HA 0.184 nan 4.420 nan 0.000 0.256 206 P C -0.480 176.974 177.300 0.257 0.000 1.688 206 P CA -0.460 62.740 63.100 0.166 0.000 1.162 206 P CB -0.173 31.660 31.700 0.222 0.000 1.870 207 N N 0.191 119.013 118.700 0.203 0.000 3.061 207 N HA 0.352 5.092 4.740 -0.000 0.000 0.346 207 N C 1.292 176.839 175.510 0.060 0.000 1.392 207 N CA -0.841 52.389 53.050 0.300 0.000 0.762 207 N CB -0.454 38.187 38.487 0.256 0.000 1.367 207 N HN -0.006 nan 8.380 nan 0.000 0.607 208 G N -1.352 107.523 108.800 0.125 0.000 2.848 208 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.208 208 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.208 208 G C 0.448 175.324 174.900 -0.040 0.000 1.152 208 G CA 0.006 45.052 45.100 -0.090 0.000 0.789 208 G HN 0.571 nan 8.290 nan 0.000 0.531 209 N N 0.927 119.636 118.700 0.014 0.000 2.461 209 N HA 0.010 4.750 4.740 -0.000 0.000 0.188 209 N C 1.742 177.248 175.510 -0.006 0.000 1.134 209 N CA 0.837 53.894 53.050 0.011 0.000 0.878 209 N CB 0.202 38.709 38.487 0.033 0.000 0.972 209 N HN 0.362 nan 8.380 nan 0.000 0.456 210 G N 1.553 110.377 108.800 0.039 0.000 2.198 210 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.260 210 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.260 210 G C 0.404 175.396 174.900 0.153 0.000 1.025 210 G CA 0.956 46.138 45.100 0.135 0.000 0.769 210 G HN 0.510 nan 8.290 nan 0.000 0.507 211 T N -1.038 113.608 114.554 0.153 0.000 2.849 211 T HA 0.506 4.856 4.350 -0.000 0.000 0.284 211 T C 0.844 175.720 174.700 0.294 0.000 1.004 211 T CA -0.037 62.155 62.100 0.153 0.000 1.021 211 T CB 1.019 69.936 68.868 0.080 0.000 1.013 211 T HN 0.796 nan 8.240 nan 0.000 0.527 212 N N 2.313 121.177 118.700 0.273 0.000 2.357 212 N HA 0.047 4.786 4.740 -0.000 0.000 0.257 212 N C -0.241 175.321 175.510 0.087 0.000 1.250 212 N CA 0.036 53.245 53.050 0.265 0.000 0.862 212 N CB 0.258 38.896 38.487 0.252 0.000 1.066 212 N HN 0.702 nan 8.380 nan 0.000 0.468 213 L N 0.680 121.894 121.223 -0.015 0.000 2.818 213 L HA 0.298 4.638 4.340 -0.000 0.000 0.230 213 L C 1.059 177.806 176.870 -0.205 0.000 2.013 213 L CA -0.895 53.784 54.840 -0.269 0.000 2.420 213 L CB -0.234 41.627 42.059 -0.329 0.000 2.612 213 L HN 0.355 nan 8.230 nan 0.000 0.595 214 Y N -0.138 120.188 120.300 0.043 0.000 2.475 214 Y HA 0.213 4.763 4.550 -0.000 0.000 0.289 214 Y C 1.191 177.100 175.900 0.015 0.000 1.121 214 Y CA 0.261 58.374 58.100 0.022 0.000 1.257 214 Y CB -0.336 38.127 38.460 0.004 0.000 1.026 214 Y HN 0.374 nan 8.280 nan 0.000 0.555 215 G N -0.669 108.231 108.800 0.166 0.000 2.600 215 G HA2 0.692 4.652 3.960 -0.000 0.000 0.303 215 G HA3 0.692 4.652 3.960 -0.000 0.000 0.303 215 G C -1.498 173.418 174.900 0.026 0.000 1.253 215 G CA -0.663 44.498 45.100 0.102 0.000 0.974 215 G HN 0.147 nan 8.290 nan 0.000 0.483 216 A N 0.735 123.568 122.820 0.022 0.000 2.340 216 A HA 0.724 5.043 4.320 -0.000 0.000 0.297 216 A C -0.682 176.755 177.584 -0.244 0.000 1.195 216 A CA -0.554 51.476 52.037 -0.012 0.000 0.769 216 A CB 1.285 20.408 19.000 0.205 0.000 1.163 216 A HN 0.392 nan 8.150 nan 0.000 0.472 217 Q N 1.968 121.562 119.800 -0.345 0.000 2.294 217 Q HA 0.273 4.613 4.340 -0.000 0.000 0.264 217 Q C 0.377 176.212 176.000 -0.274 0.000 0.992 217 Q CA -0.102 55.357 55.803 -0.575 0.000 0.747 217 Q CB 1.616 29.515 28.738 -1.400 0.000 1.262 217 Q HN 0.879 nan 8.270 nan 0.000 0.452 218 T N -1.540 112.992 114.554 -0.036 0.000 3.081 218 T HA 0.153 4.503 4.350 -0.000 0.000 0.250 218 T C 0.561 175.477 174.700 0.360 0.000 1.100 218 T CA -0.170 62.049 62.100 0.199 0.000 1.038 218 T CB -0.049 68.881 68.868 0.102 0.000 0.962 218 T HN 0.294 nan 8.240 nan 0.000 0.516 219 F N 3.901 123.917 119.950 0.110 0.000 2.538 219 F HA 0.465 4.992 4.527 -0.000 0.000 0.371 219 F C -0.418 175.483 175.800 0.168 0.000 1.087 219 F CA -2.288 55.716 58.000 0.007 0.000 1.250 219 F CB 0.080 38.761 39.000 -0.531 0.000 1.110 219 F HN 0.268 nan 8.300 nan 0.000 0.570 220 F N 5.600 125.101 119.950 -0.749 0.000 2.620 220 F HA 0.758 5.285 4.527 -0.000 0.000 0.320 220 F C -2.085 172.978 175.800 -1.228 0.000 1.069 220 F CA -1.608 55.878 58.000 -0.857 0.000 0.953 220 F CB 1.203 39.936 39.000 -0.446 0.000 1.322 220 F HN 0.490 nan 8.300 nan 0.000 0.479 221 L N 2.444 123.316 121.223 -0.586 0.000 2.365 221 L HA 0.704 5.043 4.340 -0.000 0.000 0.273 221 L C -1.581 175.213 176.870 -0.127 0.000 1.000 221 L CA -0.563 54.026 54.840 -0.418 0.000 0.819 221 L CB 1.668 43.650 42.059 -0.129 0.000 1.284 221 L HN 1.091 nan 8.230 nan 0.000 0.418 222 C N 6.053 125.158 119.300 -0.325 0.000 2.322 222 C HA 0.538 4.997 4.460 -0.000 0.000 0.324 222 C C -0.453 174.455 174.990 -0.137 0.000 1.249 222 C CA -0.919 57.945 59.018 -0.257 0.000 1.453 222 C CB 0.669 28.126 27.740 -0.471 0.000 2.145 222 C HN 0.774 nan 8.230 nan 0.000 0.466 223 L N 6.505 127.685 121.223 -0.071 0.000 2.283 223 L HA 0.405 4.744 4.340 -0.000 0.000 0.287 223 L C 1.047 177.812 176.870 -0.176 0.000 1.073 223 L CA 0.845 55.597 54.840 -0.146 0.000 0.822 223 L CB 0.377 42.290 42.059 -0.242 0.000 1.186 223 L HN 0.829 nan 8.230 nan 0.000 0.436 224 E N 2.270 122.435 120.200 -0.059 0.000 2.072 224 E HA -0.027 4.323 4.350 -0.000 0.000 0.190 224 E C -0.443 176.125 176.600 -0.054 0.000 0.982 224 E CA 1.395 57.799 56.400 0.006 0.000 0.803 224 E CB 0.125 29.879 29.700 0.090 0.000 0.755 224 E HN 0.925 nan 8.360 nan 0.000 0.453 225 D N -2.894 117.468 120.400 -0.064 0.000 2.738 225 D HA 0.284 4.924 4.640 -0.000 0.000 0.308 225 D C -0.089 176.312 176.300 0.168 0.000 1.311 225 D CA -0.195 53.832 54.000 0.045 0.000 0.799 225 D CB 0.218 41.089 40.800 0.117 0.000 1.332 225 D HN -0.104 nan 8.370 nan 0.000 0.441 226 A N -0.155 122.927 122.820 0.437 0.000 2.131 226 A HA -0.047 4.273 4.320 -0.000 0.000 0.220 226 A C 1.885 179.722 177.584 0.422 0.000 1.158 226 A CA 2.054 54.431 52.037 0.567 0.000 0.665 226 A CB -1.164 18.129 19.000 0.489 0.000 0.795 226 A HN 0.718 nan 8.150 nan 0.000 0.460 227 S N -2.097 113.758 115.700 0.259 0.000 2.481 227 S HA 0.290 4.759 4.470 -0.000 0.000 0.231 227 S C 1.577 176.233 174.600 0.093 0.000 0.996 227 S CA 1.323 59.647 58.200 0.207 0.000 0.942 227 S CB -0.275 62.999 63.200 0.123 0.000 0.768 227 S HN 1.829 nan 8.310 nan 0.000 0.520 228 G N 0.573 109.319 108.800 -0.089 0.000 2.238 228 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.217 228 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.217 228 G C -0.003 174.668 174.900 -0.382 0.000 0.996 228 G CA -0.136 44.553 45.100 -0.685 0.000 0.632 228 G HN 0.493 nan 8.290 nan 0.000 0.503 229 L N 1.920 123.053 121.223 -0.149 0.000 2.578 229 L HA 0.427 4.767 4.340 -0.000 0.000 0.279 229 L C 0.467 177.319 176.870 -0.030 0.000 1.227 229 L CA 0.661 55.467 54.840 -0.057 0.000 0.900 229 L CB 0.733 42.796 42.059 0.008 0.000 1.144 229 L HN 0.263 nan 8.230 nan 0.000 0.496 230 S N 2.507 118.221 115.700 0.023 0.000 2.607 230 S HA 0.799 5.268 4.470 -0.000 0.000 0.273 230 S C -0.876 173.863 174.600 0.230 0.000 1.148 230 S CA -0.648 57.591 58.200 0.064 0.000 0.833 230 S CB 2.304 65.460 63.200 -0.074 0.000 1.130 230 S HN 0.496 nan 8.310 nan 0.000 0.470 231 F N -1.218 118.752 119.950 0.034 0.000 2.685 231 F HA 0.971 5.497 4.527 -0.000 0.000 0.315 231 F C -0.258 175.583 175.800 0.068 0.000 1.126 231 F CA -0.840 57.212 58.000 0.087 0.000 0.950 231 F CB 1.041 40.095 39.000 0.090 0.000 1.360 231 F HN 0.769 nan 8.300 nan 0.000 0.469 232 G N 0.489 109.342 108.800 0.089 0.000 2.619 232 G HA2 0.640 4.600 3.960 -0.000 0.000 0.296 232 G HA3 0.640 4.600 3.960 -0.000 0.000 0.296 232 G C -2.423 172.524 174.900 0.078 0.000 1.334 232 G CA -1.151 43.877 45.100 -0.120 0.000 0.934 232 G HN 0.743 nan 8.290 nan 0.000 0.476 233 V N 0.994 120.668 119.914 -0.400 0.000 2.638 233 V HA 0.645 4.764 4.120 -0.000 0.000 0.306 233 V C -1.427 174.809 176.094 0.237 0.000 1.052 233 V CA -0.703 61.572 62.300 -0.041 0.000 0.885 233 V CB 1.686 33.443 31.823 -0.110 0.000 0.999 233 V HN 0.716 nan 8.190 nan 0.000 0.424 234 F N 6.040 126.197 119.950 0.345 0.000 2.529 234 F HA 0.769 5.296 4.527 -0.000 0.000 0.320 234 F C -1.122 174.741 175.800 0.104 0.000 1.118 234 F CA -1.270 56.927 58.000 0.328 0.000 0.915 234 F CB 1.791 41.133 39.000 0.571 0.000 1.161 234 F HN 0.395 nan 8.300 nan 0.000 0.445 235 L N 7.849 128.534 121.223 -0.897 0.000 2.262 235 L HA 0.505 4.845 4.340 -0.000 0.000 0.288 235 L C -0.642 175.391 176.870 -1.395 0.000 1.035 235 L CA -0.649 53.442 54.840 -1.249 0.000 0.820 235 L CB 1.055 42.319 42.059 -1.325 0.000 1.204 235 L HN 0.755 nan 8.230 nan 0.000 0.424 236 M N 6.398 125.338 119.600 -1.099 0.000 2.557 236 M HA 0.369 4.849 4.480 -0.000 0.000 0.328 236 M C -1.015 175.110 176.300 -0.292 0.000 1.423 236 M CA 0.607 55.570 55.300 -0.563 0.000 1.418 236 M CB -0.882 31.623 32.600 -0.158 0.000 1.381 236 M HN 0.653 nan 8.290 nan 0.000 0.467 237 N N 1.542 120.169 118.700 -0.121 0.000 2.452 237 N HA 0.231 4.971 4.740 -0.000 0.000 0.277 237 N C -0.948 174.678 175.510 0.193 0.000 1.078 237 N CA 0.102 53.133 53.050 -0.032 0.000 0.947 237 N CB 1.573 39.940 38.487 -0.200 0.000 1.655 237 N HN 0.544 nan 8.380 nan 0.000 0.490 238 S N 1.135 116.954 115.700 0.197 0.000 2.629 238 S HA 0.261 4.731 4.470 -0.000 0.000 0.236 238 S C 0.258 174.938 174.600 0.133 0.000 1.010 238 S CA -0.600 57.711 58.200 0.185 0.000 0.981 238 S CB -0.095 63.058 63.200 -0.078 0.000 0.919 238 S HN 0.488 nan 8.310 nan 0.000 0.514 239 N N 2.253 121.002 118.700 0.082 0.000 2.424 239 N HA 0.435 5.174 4.740 -0.000 0.000 0.257 239 N C 0.157 175.711 175.510 0.074 0.000 1.250 239 N CA 0.160 53.203 53.050 -0.012 0.000 0.946 239 N CB 0.783 39.212 38.487 -0.096 0.000 1.175 239 N HN 0.442 nan 8.380 nan 0.000 0.477 240 A N 1.205 124.035 122.820 0.015 0.000 2.531 240 A HA 0.281 4.601 4.320 -0.000 0.000 0.236 240 A C 0.382 177.979 177.584 0.021 0.000 1.062 240 A CA 0.423 52.488 52.037 0.047 0.000 0.760 240 A CB -0.253 18.478 19.000 -0.450 0.000 0.995 240 A HN 0.764 nan 8.150 nan 0.000 0.501 241 M N 1.012 120.672 119.600 0.101 0.000 2.721 241 M HA 0.764 5.244 4.480 -0.000 0.000 0.271 241 M C -1.152 175.233 176.300 0.142 0.000 1.259 241 M CA -0.703 54.659 55.300 0.103 0.000 0.835 241 M CB 1.996 34.666 32.600 0.118 0.000 1.689 241 M HN 0.741 nan 8.290 nan 0.000 0.470 242 E N 0.653 120.936 120.200 0.138 0.000 2.367 242 E HA 0.755 5.105 4.350 -0.000 0.000 0.273 242 E C -1.729 174.926 176.600 0.092 0.000 0.903 242 E CA -1.169 55.315 56.400 0.140 0.000 0.764 242 E CB 2.900 32.675 29.700 0.126 0.000 1.252 242 E HN 0.531 nan 8.360 nan 0.000 0.446 243 V N 1.636 121.588 119.914 0.064 0.000 2.487 243 V HA 0.352 4.471 4.120 -0.000 0.000 0.298 243 V C -0.628 175.420 176.094 -0.077 0.000 1.028 243 V CA -0.806 61.440 62.300 -0.091 0.000 0.860 243 V CB 1.717 33.441 31.823 -0.165 0.000 0.991 243 V HN 0.582 nan 8.190 nan 0.000 0.427 244 V N 6.407 126.240 119.914 -0.136 0.000 2.409 244 V HA 0.520 4.640 4.120 -0.000 0.000 0.291 244 V C -0.301 175.687 176.094 -0.176 0.000 1.020 244 V CA -0.492 61.749 62.300 -0.099 0.000 0.848 244 V CB 1.596 33.404 31.823 -0.026 0.000 0.990 244 V HN 0.639 nan 8.190 nan 0.000 0.430 245 L N 5.910 127.024 121.223 -0.182 0.000 2.317 245 L HA 0.734 5.074 4.340 -0.000 0.000 0.281 245 L C -0.086 176.575 176.870 -0.349 0.000 1.024 245 L CA -0.373 54.300 54.840 -0.279 0.000 0.810 245 L CB 1.629 43.533 42.059 -0.259 0.000 1.240 245 L HN 0.809 nan 8.230 nan 0.000 0.427 246 Q N 2.689 122.192 119.800 -0.495 0.000 2.456 246 Q HA 0.486 4.826 4.340 -0.000 0.000 0.284 246 Q C -2.679 172.875 176.000 -0.742 0.000 1.061 246 Q CA -2.012 53.256 55.803 -0.892 0.000 0.799 246 Q CB 2.769 30.816 28.738 -1.152 0.000 1.445 246 Q HN 0.212 nan 8.270 nan 0.000 0.411 247 P HA 0.073 nan 4.420 nan 0.000 0.255 247 P C 0.813 177.925 177.300 -0.313 0.000 1.301 247 P CA 0.725 63.540 63.100 -0.475 0.000 0.817 247 P CB 0.040 31.506 31.700 -0.389 0.000 1.259 248 A N 1.266 123.894 122.820 -0.320 0.000 1.909 248 A HA -0.142 4.178 4.320 -0.000 0.000 0.221 248 A C -0.822 176.672 177.584 -0.149 0.000 1.223 248 A CA 1.532 53.453 52.037 -0.194 0.000 0.658 248 A CB -2.559 16.332 19.000 -0.182 0.000 0.831 248 A HN 0.308 nan 8.150 nan 0.000 0.462 249 P HA 0.610 nan 4.420 nan 0.000 0.286 249 P C -0.752 176.414 177.300 -0.223 0.000 1.261 249 P CA 0.161 63.126 63.100 -0.224 0.000 0.821 249 P CB 1.605 33.184 31.700 -0.202 0.000 1.013 250 A N 2.046 124.699 122.820 -0.279 0.000 2.612 250 A HA 0.744 5.064 4.320 -0.000 0.000 0.293 250 A C -1.664 175.729 177.584 -0.318 0.000 1.075 250 A CA -0.643 51.237 52.037 -0.261 0.000 0.680 250 A CB 1.169 20.040 19.000 -0.215 0.000 1.279 250 A HN 0.581 nan 8.150 nan 0.000 0.411 251 I N 0.300 120.683 120.570 -0.311 0.000 2.647 251 I HA 0.733 4.903 4.170 -0.000 0.000 0.295 251 I C -0.995 174.973 176.117 -0.248 0.000 1.078 251 I CA -0.113 60.968 61.300 -0.364 0.000 1.048 251 I CB 2.403 40.070 38.000 -0.555 0.000 1.239 251 I HN 0.614 nan 8.210 nan 0.000 0.421 252 T N 5.722 120.139 114.554 -0.229 0.000 2.848 252 T HA 0.484 4.834 4.350 -0.000 0.000 0.285 252 T C -1.343 173.277 174.700 -0.134 0.000 0.995 252 T CA -0.189 61.855 62.100 -0.094 0.000 0.970 252 T CB 0.848 69.701 68.868 -0.026 0.000 0.976 252 T HN 0.297 nan 8.240 nan 0.000 0.441 253 Y N 1.947 122.290 120.300 0.071 0.000 2.341 253 Y HA 0.594 5.143 4.550 -0.000 0.000 0.337 253 Y C 0.679 176.561 175.900 -0.031 0.000 1.014 253 Y CA -0.830 57.315 58.100 0.074 0.000 1.111 253 Y CB 1.335 39.911 38.460 0.194 0.000 1.194 253 Y HN 0.345 nan 8.280 nan 0.000 0.462 254 R N 2.296 122.825 120.500 0.048 0.000 2.473 254 R HA 0.443 4.782 4.340 -0.000 0.000 0.303 254 R C -1.260 174.929 176.300 -0.185 0.000 1.002 254 R CA -0.225 55.744 56.100 -0.218 0.000 0.884 254 R CB 1.331 31.494 30.300 -0.228 0.000 1.173 254 R HN 0.751 nan 8.270 nan 0.000 0.464 255 T N 3.177 117.568 114.554 -0.272 0.000 2.924 255 T HA 0.397 4.746 4.350 -0.000 0.000 0.291 255 T C 0.876 175.474 174.700 -0.170 0.000 1.045 255 T CA -0.837 61.170 62.100 -0.155 0.000 1.015 255 T CB 1.034 69.829 68.868 -0.121 0.000 1.103 255 T HN 0.655 nan 8.240 nan 0.000 0.496 256 I N 0.123 120.663 120.570 -0.050 0.000 3.941 256 I HA 0.667 4.837 4.170 -0.000 0.000 0.335 256 I C 0.563 176.769 176.117 0.149 0.000 1.402 256 I CA -0.490 60.855 61.300 0.074 0.000 1.112 256 I CB -0.072 38.005 38.000 0.127 0.000 1.043 256 I HN 0.607 nan 8.210 nan 0.000 0.395 257 G N -0.328 108.505 108.800 0.055 0.000 2.554 257 G HA2 0.540 4.500 3.960 -0.000 0.000 0.306 257 G HA3 0.540 4.500 3.960 -0.000 0.000 0.306 257 G C -0.189 174.744 174.900 0.056 0.000 1.320 257 G CA -0.092 45.091 45.100 0.138 0.000 0.800 257 G HN 0.608 nan 8.290 nan 0.000 0.481 258 G N -0.804 108.084 108.800 0.147 0.000 2.528 258 G HA2 0.218 4.178 3.960 -0.000 0.000 0.262 258 G HA3 0.218 4.178 3.960 -0.000 0.000 0.262 258 G C 0.237 175.151 174.900 0.024 0.000 1.200 258 G CA 1.018 46.219 45.100 0.168 0.000 0.951 258 G HN 2.155 nan 8.290 nan 0.000 0.566 259 I N -2.864 117.673 120.570 -0.054 0.000 3.239 259 I HA 0.799 4.968 4.170 -0.000 0.000 0.314 259 I C -0.253 175.709 176.117 -0.258 0.000 1.126 259 I CA -1.529 59.701 61.300 -0.117 0.000 0.973 259 I CB 2.051 40.048 38.000 -0.004 0.000 1.252 259 I HN 0.547 nan 8.210 nan 0.000 0.463 260 L N 2.497 123.567 121.223 -0.255 0.000 2.270 260 L HA 0.388 4.728 4.340 -0.000 0.000 0.286 260 L C -1.052 175.550 176.870 -0.447 0.000 1.059 260 L CA -0.012 54.604 54.840 -0.374 0.000 0.839 260 L CB 0.377 42.373 42.059 -0.105 0.000 1.221 260 L HN 0.562 nan 8.230 nan 0.000 0.431 261 D N 3.915 123.915 120.400 -0.666 0.000 2.461 261 D HA 0.342 4.982 4.640 -0.000 0.000 0.240 261 D C -1.015 174.783 176.300 -0.836 0.000 1.094 261 D CA -0.177 53.460 54.000 -0.605 0.000 0.868 261 D CB 0.626 41.218 40.800 -0.348 0.000 1.062 261 D HN 0.007 nan 8.370 nan 0.000 0.530 262 F N 2.511 121.877 119.950 -0.973 0.000 2.492 262 F HA 0.495 5.021 4.527 -0.000 0.000 0.327 262 F C -0.354 174.909 175.800 -0.894 0.000 1.079 262 F CA -0.634 56.809 58.000 -0.928 0.000 0.967 262 F CB 1.432 39.647 39.000 -1.308 0.000 1.169 262 F HN 0.181 nan 8.300 nan 0.000 0.472 263 Y N 1.003 121.180 120.300 -0.204 0.000 2.409 263 Y HA 0.681 5.231 4.550 -0.000 0.000 0.343 263 Y C -0.750 174.871 175.900 -0.464 0.000 0.973 263 Y CA -1.151 56.729 58.100 -0.367 0.000 1.064 263 Y CB 2.013 40.251 38.460 -0.370 0.000 1.207 263 Y HN 0.169 nan 8.280 nan 0.000 0.452 264 V N 4.128 123.806 119.914 -0.394 0.000 2.540 264 V HA 0.484 4.604 4.120 -0.000 0.000 0.302 264 V C -1.077 174.802 176.094 -0.358 0.000 1.035 264 V CA -1.104 61.070 62.300 -0.209 0.000 0.873 264 V CB 1.352 33.171 31.823 -0.006 0.000 0.992 264 V HN 0.497 nan 8.190 nan 0.000 0.428 265 F N 4.647 124.739 119.950 0.237 0.000 2.507 265 F HA 0.760 5.287 4.527 -0.000 0.000 0.325 265 F C -0.403 175.530 175.800 0.222 0.000 1.116 265 F CA -0.765 57.356 58.000 0.202 0.000 0.930 265 F CB 1.744 40.876 39.000 0.220 0.000 1.146 265 F HN 0.192 nan 8.300 nan 0.000 0.447 266 L N 1.954 123.385 121.223 0.346 0.000 2.342 266 L HA 0.945 5.284 4.340 -0.000 0.000 0.271 266 L C 0.183 177.186 176.870 0.223 0.000 1.008 266 L CA -0.231 54.779 54.840 0.282 0.000 0.818 266 L CB 2.067 44.267 42.059 0.235 0.000 1.296 266 L HN 0.782 nan 8.230 nan 0.000 0.427 267 G N 0.390 109.288 108.800 0.163 0.000 2.682 267 G HA2 0.273 4.233 3.960 -0.000 0.000 0.290 267 G HA3 0.273 4.233 3.960 -0.000 0.000 0.290 267 G C -0.202 174.723 174.900 0.042 0.000 1.425 267 G CA -0.501 44.655 45.100 0.093 0.000 0.807 267 G HN 0.422 nan 8.290 nan 0.000 0.482 268 N N -0.491 118.216 118.700 0.012 0.000 2.463 268 N HA 0.074 4.813 4.740 -0.000 0.000 0.181 268 N C 0.823 176.260 175.510 -0.121 0.000 1.078 268 N CA 1.224 54.259 53.050 -0.025 0.000 0.902 268 N CB 0.421 38.911 38.487 0.005 0.000 0.970 268 N HN 0.790 nan 8.380 nan 0.000 0.451 269 T N -4.203 110.264 114.554 -0.145 0.000 2.843 269 T HA 0.371 4.721 4.350 -0.000 0.000 0.302 269 T C -2.501 172.054 174.700 -0.241 0.000 1.232 269 T CA -1.611 60.311 62.100 -0.297 0.000 1.009 269 T CB 2.523 71.285 68.868 -0.177 0.000 1.254 269 T HN -0.369 nan 8.240 nan 0.000 0.504 270 P HA -0.084 nan 4.420 nan 0.000 0.216 270 P C 1.550 178.646 177.300 -0.341 0.000 1.153 270 P CA 1.005 63.844 63.100 -0.435 0.000 0.858 270 P CB 0.126 31.308 31.700 -0.864 0.000 0.789 271 E N -0.259 119.799 120.200 -0.236 0.000 2.118 271 E HA -0.216 4.134 4.350 -0.000 0.000 0.195 271 E C 2.058 178.638 176.600 -0.033 0.000 0.992 271 E CA 1.228 57.605 56.400 -0.039 0.000 0.804 271 E CB -0.485 29.242 29.700 0.045 0.000 0.741 271 E HN 0.471 nan 8.360 nan 0.000 0.458 272 Q N 0.125 119.901 119.800 -0.041 0.000 2.124 272 Q HA -0.098 4.241 4.340 -0.000 0.000 0.202 272 Q C 2.375 178.375 176.000 0.000 0.000 0.977 272 Q CA 1.109 56.902 55.803 -0.015 0.000 0.850 272 Q CB 0.009 28.748 28.738 0.002 0.000 0.901 272 Q HN 0.115 nan 8.270 nan 0.000 0.429 273 V N 0.219 120.140 119.914 0.010 0.000 2.295 273 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 273 V C 2.246 178.339 176.094 -0.002 0.000 1.049 273 V CA 1.477 63.818 62.300 0.068 0.000 1.024 273 V CB -0.494 31.394 31.823 0.108 0.000 0.648 273 V HN 0.185 nan 8.190 nan 0.000 0.447 274 V N -0.442 119.476 119.914 0.007 0.000 2.295 274 V HA -0.345 3.775 4.120 -0.000 0.000 0.246 274 V C 2.480 178.479 176.094 -0.158 0.000 1.049 274 V CA 2.173 64.443 62.300 -0.050 0.000 1.024 274 V CB -0.776 31.069 31.823 0.036 0.000 0.648 274 V HN 0.586 nan 8.190 nan 0.000 0.447 275 Q N -0.653 119.077 119.800 -0.116 0.000 2.096 275 Q HA -0.239 4.101 4.340 -0.000 0.000 0.204 275 Q C 2.395 178.282 176.000 -0.189 0.000 0.982 275 Q CA 1.679 57.394 55.803 -0.146 0.000 0.850 275 Q CB -0.201 28.482 28.738 -0.091 0.000 0.901 275 Q HN 0.594 nan 8.270 nan 0.000 0.422 276 E N -0.029 120.076 120.200 -0.157 0.000 2.072 276 E HA -0.183 4.167 4.350 -0.000 0.000 0.191 276 E C 1.758 178.058 176.600 -0.499 0.000 0.985 276 E CA 0.918 57.230 56.400 -0.146 0.000 0.801 276 E CB -0.381 29.360 29.700 0.067 0.000 0.750 276 E HN 0.410 nan 8.360 nan 0.000 0.452 277 Y N 1.551 121.207 120.300 -1.073 0.000 2.128 277 Y HA -0.184 4.366 4.550 -0.000 0.000 0.284 277 Y C 2.163 177.522 175.900 -0.902 0.000 1.154 277 Y CA 1.467 58.635 58.100 -1.554 0.000 1.149 277 Y CB -0.455 36.986 38.460 -1.697 0.000 0.976 277 Y HN -0.057 nan 8.280 nan 0.000 0.505 278 L N -0.092 120.657 121.223 -0.790 0.000 2.156 278 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 278 L C 2.403 178.967 176.870 -0.510 0.000 1.095 278 L CA 1.447 55.867 54.840 -0.700 0.000 0.770 278 L CB -0.627 41.156 42.059 -0.459 0.000 0.914 278 L HN 0.193 nan 8.230 nan 0.000 0.439 279 E N 1.255 121.233 120.200 -0.370 0.000 2.070 279 E HA -0.273 4.076 4.350 -0.000 0.000 0.197 279 E C 2.015 178.503 176.600 -0.186 0.000 1.004 279 E CA 1.639 57.908 56.400 -0.219 0.000 0.805 279 E CB -0.298 29.327 29.700 -0.126 0.000 0.744 279 E HN 0.312 nan 8.360 nan 0.000 0.451 280 L N 0.171 121.228 121.223 -0.277 0.000 1.988 280 L HA -0.042 4.298 4.340 -0.000 0.000 0.207 280 L C 2.213 178.891 176.870 -0.319 0.000 1.071 280 L CA 2.105 56.786 54.840 -0.264 0.000 0.744 280 L CB -0.509 41.397 42.059 -0.257 0.000 0.893 280 L HN 0.416 nan 8.230 nan 0.000 0.433 281 I N -1.572 118.609 120.570 -0.648 0.000 3.419 281 I HA 0.483 4.653 4.170 -0.000 0.000 0.286 281 I C 0.763 176.592 176.117 -0.480 0.000 1.268 281 I CA 0.312 61.252 61.300 -0.601 0.000 1.414 281 I CB -0.611 36.799 38.000 -0.984 0.000 1.074 281 I HN 0.272 nan 8.210 nan 0.000 0.457 282 G N 1.395 109.776 108.800 -0.698 0.000 3.326 282 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.681 282 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.681 282 G C -0.631 173.923 174.900 -0.577 0.000 1.255 282 G CA -1.071 43.468 45.100 -0.934 0.000 0.976 282 G HN 0.293 nan 8.290 nan 0.000 0.563 283 R N 3.245 123.461 120.500 -0.473 0.000 2.594 283 R HA 0.428 4.768 4.340 -0.000 0.000 0.272 283 R C -1.762 174.390 176.300 -0.247 0.000 1.074 283 R CA -1.159 54.735 56.100 -0.343 0.000 1.105 283 R CB 0.758 30.852 30.300 -0.344 0.000 1.008 283 R HN 0.419 nan 8.270 nan 0.000 0.472 284 P HA -0.005 nan 4.420 nan 0.000 0.269 284 P C -0.801 176.507 177.300 0.013 0.000 1.215 284 P CA -0.128 62.925 63.100 -0.079 0.000 0.780 284 P CB 0.542 32.235 31.700 -0.012 0.000 0.898 285 A N 2.642 125.407 122.820 -0.092 0.000 2.520 285 A HA 0.094 4.413 4.320 -0.000 0.000 0.235 285 A C 0.135 177.565 177.584 -0.256 0.000 1.065 285 A CA -0.143 51.782 52.037 -0.186 0.000 0.764 285 A CB -0.544 18.341 19.000 -0.191 0.000 1.002 285 A HN 0.587 nan 8.150 nan 0.000 0.502 286 L N 5.062 125.945 121.223 -0.566 0.000 2.361 286 L HA 0.373 4.713 4.340 -0.000 0.000 0.278 286 L C -1.775 174.915 176.870 -0.301 0.000 1.113 286 L CA -1.503 53.068 54.840 -0.448 0.000 0.849 286 L CB 0.403 42.096 42.059 -0.609 0.000 1.155 286 L HN 0.511 nan 8.230 nan 0.000 0.452 287 P HA 0.129 nan 4.420 nan 0.000 0.274 287 P C -0.634 176.505 177.300 -0.269 0.000 1.246 287 P CA -0.441 62.461 63.100 -0.330 0.000 0.795 287 P CB 0.540 31.930 31.700 -0.517 0.000 1.006 288 S N 0.625 116.069 115.700 -0.426 0.000 2.560 288 S HA -0.039 4.431 4.470 -0.000 0.000 0.284 288 S C 1.034 175.326 174.600 -0.513 0.000 1.327 288 S CA -0.167 57.705 58.200 -0.547 0.000 1.055 288 S CB -0.270 62.235 63.200 -1.158 0.000 0.868 288 S HN 0.466 nan 8.310 nan 0.000 0.506 289 Y N 3.173 123.176 120.300 -0.495 0.000 2.224 289 Y HA -0.187 4.362 4.550 -0.000 0.000 0.289 289 Y C 2.056 177.740 175.900 -0.359 0.000 1.146 289 Y CA 1.947 59.731 58.100 -0.527 0.000 1.182 289 Y CB -0.123 37.930 38.460 -0.679 0.000 0.983 289 Y HN 0.920 nan 8.280 nan 0.000 0.524 290 W N -0.588 120.673 121.300 -0.064 0.000 2.392 290 W HA -0.090 4.569 4.660 -0.000 0.000 0.279 290 W C 1.819 178.208 176.519 -0.217 0.000 1.225 290 W CA 0.891 58.157 57.345 -0.131 0.000 1.233 290 W CB -1.223 28.160 29.460 -0.128 0.000 1.122 290 W HN 0.205 nan 8.180 nan 0.000 0.561 291 A N 1.476 123.929 122.820 -0.611 0.000 2.168 291 A HA 0.035 4.355 4.320 -0.000 0.000 0.215 291 A C 2.116 179.643 177.584 -0.096 0.000 1.152 291 A CA 0.846 52.577 52.037 -0.510 0.000 0.716 291 A CB -0.785 17.730 19.000 -0.808 0.000 0.794 291 A HN 0.383 nan 8.150 nan 0.000 0.465 292 L N -0.812 120.271 121.223 -0.232 0.000 2.558 292 L HA 0.113 4.453 4.340 -0.000 0.000 0.225 292 L C 1.793 178.599 176.870 -0.106 0.000 1.128 292 L CA -0.032 54.697 54.840 -0.185 0.000 0.868 292 L CB -0.516 41.300 42.059 -0.405 0.000 1.006 292 L HN 0.445 nan 8.230 nan 0.000 0.454 293 G N -0.373 108.367 108.800 -0.100 0.000 2.570 293 G HA2 0.048 4.008 3.960 -0.000 0.000 0.276 293 G HA3 0.048 4.008 3.960 -0.000 0.000 0.276 293 G C -0.824 174.273 174.900 0.327 0.000 1.346 293 G CA -0.408 44.702 45.100 0.016 0.000 1.034 293 G HN -0.060 nan 8.290 nan 0.000 0.512 294 F N -0.132 120.024 119.950 0.343 0.000 2.396 294 F HA 0.532 5.059 4.527 -0.000 0.000 0.343 294 F C -0.112 175.802 175.800 0.190 0.000 1.104 294 F CA -0.874 57.286 58.000 0.266 0.000 1.161 294 F CB 0.982 40.118 39.000 0.227 0.000 1.146 294 F HN 0.343 nan 8.300 nan 0.000 0.522 295 H N 5.289 123.929 119.070 -0.716 0.000 2.469 295 H HA 0.618 5.174 4.556 -0.000 0.000 0.342 295 H C -1.190 173.567 175.328 -0.952 0.000 1.115 295 H CA -0.692 55.032 56.048 -0.540 0.000 1.204 295 H CB 1.731 31.225 29.762 -0.447 0.000 1.492 295 H HN 0.649 nan 8.280 nan 0.000 0.499 296 L N 1.556 122.590 121.223 -0.315 0.000 2.370 296 L HA 0.759 5.099 4.340 -0.000 0.000 0.266 296 L C -0.560 176.331 176.870 0.036 0.000 1.002 296 L CA -0.170 54.519 54.840 -0.251 0.000 0.818 296 L CB 2.018 43.954 42.059 -0.205 0.000 1.325 296 L HN 0.646 nan 8.230 nan 0.000 0.418 297 S N 2.700 118.466 115.700 0.110 0.000 2.567 297 S HA 0.880 5.349 4.470 -0.000 0.000 0.270 297 S C -1.728 173.062 174.600 0.318 0.000 1.152 297 S CA -0.651 57.731 58.200 0.303 0.000 0.835 297 S CB 1.229 64.436 63.200 0.012 0.000 1.115 297 S HN 0.965 nan 8.310 nan 0.000 0.459 298 R N 1.634 122.266 120.500 0.220 0.000 2.692 298 R HA 0.390 4.730 4.340 -0.000 0.000 0.269 298 R C -1.840 174.537 176.300 0.128 0.000 1.030 298 R CA -1.018 55.043 56.100 -0.065 0.000 0.882 298 R CB 0.555 30.551 30.300 -0.506 0.000 1.250 298 R HN 0.667 nan 8.270 nan 0.000 0.465 299 Y N 2.826 123.112 120.300 -0.023 0.000 2.436 299 Y HA 0.081 4.631 4.550 -0.000 0.000 0.336 299 Y C -0.334 175.486 175.900 -0.133 0.000 1.049 299 Y CA -0.068 58.054 58.100 0.036 0.000 1.294 299 Y CB 0.641 39.169 38.460 0.112 0.000 1.179 299 Y HN 0.811 nan 8.280 nan 0.000 0.520 300 E N 4.899 125.159 120.200 0.099 0.000 2.346 300 E HA -0.291 4.059 4.350 -0.000 0.000 0.200 300 E C -0.418 176.132 176.600 -0.082 0.000 1.331 300 E CA 0.562 56.916 56.400 -0.077 0.000 0.668 300 E CB -1.610 27.878 29.700 -0.354 0.000 1.157 300 E HN 0.929 nan 8.360 nan 0.000 0.393 301 Y N -0.002 120.371 120.300 0.122 0.000 2.274 301 Y HA -0.168 4.382 4.550 -0.000 0.000 0.290 301 Y C 2.411 178.334 175.900 0.037 0.000 1.145 301 Y CA 1.962 60.111 58.100 0.082 0.000 1.203 301 Y CB 0.008 38.545 38.460 0.128 0.000 0.984 301 Y HN 0.660 nan 8.280 nan 0.000 0.533 302 G N -0.803 108.149 108.800 0.253 0.000 2.579 302 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.222 302 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.222 302 G C 0.484 175.469 174.900 0.140 0.000 1.201 302 G CA 0.549 45.741 45.100 0.153 0.000 0.710 302 G HN 0.621 nan 8.290 nan 0.000 0.516 303 T N -2.165 112.333 114.554 -0.092 0.000 2.896 303 T HA 0.666 5.016 4.350 -0.000 0.000 0.297 303 T C 0.961 175.075 174.700 -0.977 0.000 1.108 303 T CA 0.217 62.012 62.100 -0.509 0.000 1.004 303 T CB 2.118 70.814 68.868 -0.288 0.000 1.159 303 T HN 1.046 nan 8.240 nan 0.000 0.499 304 L N 1.103 121.419 121.223 -1.512 0.000 2.079 304 L HA 0.036 4.376 4.340 -0.000 0.000 0.210 304 L C 1.837 178.350 176.870 -0.594 0.000 1.081 304 L CA 2.073 56.225 54.840 -1.146 0.000 0.752 304 L CB -0.986 40.557 42.059 -0.861 0.000 0.896 304 L HN 0.787 nan 8.230 nan 0.000 0.433 305 D N -0.444 119.714 120.400 -0.402 0.000 2.123 305 D HA -0.181 4.459 4.640 -0.000 0.000 0.196 305 D C 1.921 178.103 176.300 -0.196 0.000 0.992 305 D CA 1.187 55.046 54.000 -0.235 0.000 0.833 305 D CB -0.250 40.455 40.800 -0.159 0.000 0.954 305 D HN 0.371 nan 8.370 nan 0.000 0.455 306 N N 0.069 118.655 118.700 -0.190 0.000 2.120 306 N HA -0.124 4.616 4.740 -0.000 0.000 0.188 306 N C 1.793 177.216 175.510 -0.146 0.000 1.024 306 N CA 0.542 53.538 53.050 -0.090 0.000 0.852 306 N CB -0.386 38.104 38.487 0.004 0.000 1.003 306 N HN 0.268 nan 8.380 nan 0.000 0.424 307 M N 0.711 120.102 119.600 -0.348 0.000 2.067 307 M HA -0.150 4.329 4.480 -0.000 0.000 0.260 307 M C 2.224 178.285 176.300 -0.399 0.000 1.069 307 M CA 1.503 56.381 55.300 -0.704 0.000 1.117 307 M CB 0.015 32.182 32.600 -0.722 0.000 1.334 307 M HN 0.003 nan 8.290 nan 0.000 0.407 308 R N 0.083 120.387 120.500 -0.328 0.000 2.120 308 R HA -0.224 4.115 4.340 -0.000 0.000 0.234 308 R C 2.021 178.319 176.300 -0.003 0.000 1.123 308 R CA 2.070 58.125 56.100 -0.074 0.000 0.975 308 R CB -0.344 29.915 30.300 -0.068 0.000 0.866 308 R HN 0.607 nan 8.270 nan 0.000 0.446 309 E N -0.260 119.912 120.200 -0.047 0.000 2.077 309 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 309 E C 1.790 178.412 176.600 0.037 0.000 0.989 309 E CA 1.509 57.909 56.400 -0.000 0.000 0.800 309 E CB 0.120 29.815 29.700 -0.008 0.000 0.746 309 E HN 0.199 nan 8.360 nan 0.000 0.452 310 V N 0.395 120.328 119.914 0.033 0.000 2.358 310 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 310 V C 2.417 178.593 176.094 0.136 0.000 1.047 310 V CA 1.343 63.698 62.300 0.092 0.000 1.035 310 V CB -0.246 31.680 31.823 0.171 0.000 0.658 310 V HN 0.213 nan 8.190 nan 0.000 0.452 311 V N -0.194 119.822 119.914 0.169 0.000 2.287 311 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 311 V C 2.667 178.923 176.094 0.269 0.000 1.053 311 V CA 2.022 64.517 62.300 0.326 0.000 1.027 311 V CB -0.593 31.421 31.823 0.319 0.000 0.646 311 V HN 0.527 nan 8.190 nan 0.000 0.447 312 E N 0.378 120.675 120.200 0.161 0.000 2.072 312 E HA -0.203 4.146 4.350 -0.000 0.000 0.191 312 E C 2.347 179.010 176.600 0.105 0.000 0.985 312 E CA 1.536 58.005 56.400 0.116 0.000 0.801 312 E CB -0.395 29.351 29.700 0.076 0.000 0.750 312 E HN 0.785 nan 8.360 nan 0.000 0.452 313 R N 0.746 121.301 120.500 0.093 0.000 2.120 313 R HA 0.012 4.351 4.340 -0.000 0.000 0.234 313 R C 1.773 178.126 176.300 0.089 0.000 1.123 313 R CA 1.400 57.545 56.100 0.076 0.000 0.975 313 R CB -0.365 29.969 30.300 0.057 0.000 0.866 313 R HN 0.063 nan 8.270 nan 0.000 0.446 314 N N 0.962 119.732 118.700 0.116 0.000 2.216 314 N HA -0.056 4.684 4.740 -0.000 0.000 0.183 314 N C 1.780 177.406 175.510 0.194 0.000 1.017 314 N CA 1.030 54.144 53.050 0.107 0.000 0.861 314 N CB -0.110 38.356 38.487 -0.035 0.000 0.986 314 N HN 0.356 nan 8.380 nan 0.000 0.428 315 R N 1.106 121.764 120.500 0.264 0.000 2.081 315 R HA -0.010 4.330 4.340 -0.000 0.000 0.235 315 R C 2.212 178.570 176.300 0.098 0.000 1.131 315 R CA 1.261 57.471 56.100 0.184 0.000 0.960 315 R CB -0.319 30.057 30.300 0.127 0.000 0.856 315 R HN 0.160 nan 8.270 nan 0.000 0.436 316 A N 1.277 124.146 122.820 0.081 0.000 2.015 316 A HA -0.032 4.287 4.320 -0.000 0.000 0.219 316 A C 2.250 179.859 177.584 0.043 0.000 1.163 316 A CA 1.451 53.519 52.037 0.051 0.000 0.646 316 A CB -0.372 18.655 19.000 0.045 0.000 0.806 316 A HN 0.382 nan 8.150 nan 0.000 0.448 317 A N -1.722 121.129 122.820 0.051 0.000 2.209 317 A HA 0.106 4.426 4.320 -0.000 0.000 0.212 317 A C 0.941 178.538 177.584 0.023 0.000 1.158 317 A CA 1.061 53.119 52.037 0.035 0.000 0.742 317 A CB -0.224 18.797 19.000 0.035 0.000 0.790 317 A HN 0.509 nan 8.150 nan 0.000 0.472 318 Q N -2.411 117.410 119.800 0.034 0.000 2.487 318 Q HA -0.207 4.133 4.340 -0.000 0.000 0.279 318 Q C -0.321 175.677 176.000 -0.005 0.000 1.228 318 Q CA 0.776 56.590 55.803 0.018 0.000 0.873 318 Q CB -2.498 26.241 28.738 0.001 0.000 1.260 318 Q HN 0.579 nan 8.270 nan 0.000 0.471 319 L N 1.329 122.565 121.223 0.022 0.000 2.331 319 L HA 0.333 4.673 4.340 -0.000 0.000 0.278 319 L C -1.953 174.908 176.870 -0.015 0.000 1.106 319 L CA -1.226 53.595 54.840 -0.031 0.000 0.824 319 L CB 0.666 42.709 42.059 -0.028 0.000 1.142 319 L HN -0.176 nan 8.230 nan 0.000 0.443 320 P HA 0.046 nan 4.420 nan 0.000 0.263 320 P C -1.804 175.538 177.300 0.071 0.000 1.195 320 P CA 0.529 63.399 63.100 -0.383 0.000 0.762 320 P CB 0.101 31.154 31.700 -1.080 0.000 0.799 321 Y N 2.864 123.225 120.300 0.100 0.000 2.265 321 Y HA 0.193 4.742 4.550 -0.000 0.000 0.324 321 Y C -0.499 175.501 175.900 0.165 0.000 1.197 321 Y CA -0.949 57.309 58.100 0.264 0.000 1.318 321 Y CB 0.265 38.849 38.460 0.205 0.000 1.223 321 Y HN 0.249 nan 8.280 nan 0.000 0.419 322 D N 2.660 123.219 120.400 0.266 0.000 2.324 322 D HA 0.254 4.894 4.640 -0.000 0.000 0.212 322 D C -0.368 175.842 176.300 -0.149 0.000 0.984 322 D CA 1.272 55.293 54.000 0.035 0.000 0.885 322 D CB 0.815 41.680 40.800 0.109 0.000 0.996 322 D HN 0.149 nan 8.370 nan 0.000 0.505 323 V N 0.895 120.749 119.914 -0.100 0.000 2.638 323 V HA 0.438 4.558 4.120 -0.000 0.000 0.306 323 V C -0.849 175.341 176.094 0.159 0.000 1.052 323 V CA -1.020 61.208 62.300 -0.119 0.000 0.885 323 V CB 1.885 33.502 31.823 -0.343 0.000 0.999 323 V HN -0.179 nan 8.190 nan 0.000 0.424 324 Q N 2.847 122.744 119.800 0.162 0.000 2.322 324 Q HA 0.463 4.802 4.340 -0.000 0.000 0.265 324 Q C -0.892 175.354 176.000 0.410 0.000 0.985 324 Q CA -0.186 55.826 55.803 0.348 0.000 0.849 324 Q CB 1.130 30.039 28.738 0.286 0.000 1.274 324 Q HN 0.844 nan 8.270 nan 0.000 0.449 325 H N 1.491 120.729 119.070 0.281 0.000 2.479 325 H HA 0.775 5.330 4.556 -0.000 0.000 0.335 325 H C -1.035 174.565 175.328 0.453 0.000 1.142 325 H CA -0.942 55.306 56.048 0.333 0.000 1.234 325 H CB 1.847 31.747 29.762 0.229 0.000 1.503 325 H HN 0.720 nan 8.280 nan 0.000 0.510 326 A N 2.945 126.102 122.820 0.563 0.000 2.304 326 A HA 0.205 4.524 4.320 -0.000 0.000 0.314 326 A C -0.404 177.519 177.584 0.566 0.000 1.187 326 A CA -0.692 51.668 52.037 0.539 0.000 0.810 326 A CB 1.077 20.308 19.000 0.386 0.000 1.183 326 A HN 0.716 nan 8.150 nan 0.000 0.487 327 D N 1.243 121.942 120.400 0.499 0.000 2.511 327 D HA 0.268 4.907 4.640 -0.000 0.000 0.276 327 D C 1.784 178.099 176.300 0.024 0.000 1.220 327 D CA -0.270 53.874 54.000 0.241 0.000 1.077 327 D CB 0.802 41.794 40.800 0.319 0.000 1.126 327 D HN 0.486 nan 8.370 nan 0.000 0.583 328 I N -1.121 119.286 120.570 -0.271 0.000 2.700 328 I HA -0.144 4.026 4.170 -0.000 0.000 0.261 328 I C 1.155 177.017 176.117 -0.425 0.000 1.219 328 I CA 0.845 61.852 61.300 -0.488 0.000 1.463 328 I CB -0.473 37.144 38.000 -0.637 0.000 1.092 328 I HN 0.193 nan 8.210 nan 0.000 0.452 329 D N 2.234 122.524 120.400 -0.183 0.000 2.265 329 D HA -0.307 4.332 4.640 -0.000 0.000 0.208 329 D C 2.036 178.041 176.300 -0.490 0.000 0.977 329 D CA 1.662 55.576 54.000 -0.143 0.000 0.871 329 D CB -0.949 39.923 40.800 0.120 0.000 0.925 329 D HN 0.766 nan 8.370 nan 0.000 0.485 330 Y N 0.377 120.197 120.300 -0.800 0.000 2.439 330 Y HA 0.175 4.724 4.550 -0.000 0.000 0.292 330 Y C 1.389 176.888 175.900 -0.668 0.000 1.130 330 Y CA -0.482 56.717 58.100 -1.502 0.000 1.254 330 Y CB -0.580 37.163 38.460 -1.195 0.000 1.000 330 Y HN -0.204 nan 8.280 nan 0.000 0.554 331 M N 1.482 120.540 119.600 -0.903 0.000 2.202 331 M HA 0.027 4.507 4.480 -0.000 0.000 0.316 331 M C -0.137 176.012 176.300 -0.252 0.000 1.138 331 M CA -0.057 54.892 55.300 -0.586 0.000 1.151 331 M CB 0.288 32.471 32.600 -0.695 0.000 1.422 331 M HN 0.100 nan 8.290 nan 0.000 0.471 332 D N 2.412 122.723 120.400 -0.148 0.000 2.374 332 D HA 0.000 4.640 4.640 -0.000 0.000 0.240 332 D C -0.333 175.884 176.300 -0.139 0.000 1.229 332 D CA 0.375 54.314 54.000 -0.102 0.000 0.895 332 D CB 0.366 41.127 40.800 -0.065 0.000 1.046 332 D HN 0.499 nan 8.370 nan 0.000 0.498 333 E N 3.180 123.309 120.200 -0.119 0.000 2.389 333 E HA -0.281 4.069 4.350 -0.000 0.000 0.243 333 E C 0.143 176.661 176.600 -0.137 0.000 1.154 333 E CA 0.439 56.773 56.400 -0.110 0.000 0.723 333 E CB -1.216 28.420 29.700 -0.106 0.000 1.261 333 E HN 0.783 nan 8.360 nan 0.000 0.390 334 R N -1.626 118.764 120.500 -0.183 0.000 3.651 334 R HA -0.223 4.117 4.340 -0.000 0.000 0.292 334 R C 0.088 176.268 176.300 -0.200 0.000 1.161 334 R CA 1.365 57.345 56.100 -0.200 0.000 0.787 334 R CB -1.343 28.921 30.300 -0.060 0.000 1.249 334 R HN 0.254 nan 8.270 nan 0.000 0.476 335 R N 0.979 121.329 120.500 -0.249 0.000 2.346 335 R HA 0.181 4.521 4.340 -0.000 0.000 0.311 335 R C -0.222 175.954 176.300 -0.206 0.000 0.983 335 R CA -1.037 54.918 56.100 -0.241 0.000 0.880 335 R CB 0.946 30.996 30.300 -0.417 0.000 1.100 335 R HN -0.010 nan 8.270 nan 0.000 0.453 336 D N 2.026 122.325 120.400 -0.169 0.000 2.449 336 D HA -0.054 4.586 4.640 -0.000 0.000 0.236 336 D C 0.248 176.273 176.300 -0.457 0.000 1.149 336 D CA 0.830 54.501 54.000 -0.549 0.000 0.878 336 D CB 0.223 40.543 40.800 -0.799 0.000 1.198 336 D HN 0.400 nan 8.370 nan 0.000 0.446 337 F N -1.648 117.947 119.950 -0.591 0.000 3.043 337 F HA -0.238 4.289 4.527 -0.000 0.000 0.290 337 F C 0.689 176.154 175.800 -0.558 0.000 0.844 337 F CA 0.685 58.121 58.000 -0.939 0.000 1.184 337 F CB -2.647 36.071 39.000 -0.471 0.000 1.246 337 F HN 0.314 nan 8.300 nan 0.000 0.536 338 T N -2.341 112.022 114.554 -0.319 0.000 2.868 338 T HA 0.760 5.110 4.350 -0.000 0.000 0.306 338 T C -0.870 174.035 174.700 0.341 0.000 1.224 338 T CA -0.631 61.536 62.100 0.112 0.000 1.012 338 T CB 3.032 71.943 68.868 0.072 0.000 1.221 338 T HN 0.582 nan 8.240 nan 0.000 0.499 339 Y N -0.655 119.878 120.300 0.388 0.000 2.570 339 Y HA 0.735 5.285 4.550 -0.000 0.000 0.345 339 Y C -0.551 175.451 175.900 0.171 0.000 1.014 339 Y CA -1.369 56.924 58.100 0.321 0.000 1.063 339 Y CB 1.229 40.019 38.460 0.549 0.000 1.272 339 Y HN 0.597 nan 8.280 nan 0.000 0.477 340 D N 1.816 122.336 120.400 0.201 0.000 2.342 340 D HA 0.033 4.673 4.640 -0.000 0.000 0.260 340 D C 0.993 177.413 176.300 0.200 0.000 1.278 340 D CA 0.563 54.644 54.000 0.135 0.000 0.910 340 D CB 0.983 41.892 40.800 0.182 0.000 1.079 340 D HN 0.748 nan 8.370 nan 0.000 0.496 341 S N 2.004 117.716 115.700 0.021 0.000 2.474 341 S HA -0.098 4.372 4.470 -0.000 0.000 0.235 341 S C 1.683 176.348 174.600 0.108 0.000 0.997 341 S CA 0.427 58.654 58.200 0.045 0.000 0.949 341 S CB 0.131 63.298 63.200 -0.054 0.000 0.766 341 S HN 0.322 nan 8.310 nan 0.000 0.517 342 V N 1.962 121.930 119.914 0.090 0.000 2.391 342 V HA 0.008 4.128 4.120 -0.000 0.000 0.237 342 V C 2.215 178.350 176.094 0.068 0.000 1.046 342 V CA 1.459 63.799 62.300 0.068 0.000 1.053 342 V CB -0.574 31.272 31.823 0.038 0.000 0.704 342 V HN 0.345 nan 8.190 nan 0.000 0.475 343 D N -0.372 120.086 120.400 0.096 0.000 2.224 343 D HA -0.038 4.602 4.640 -0.000 0.000 0.205 343 D C 1.059 177.299 176.300 -0.099 0.000 0.965 343 D CA 1.213 55.231 54.000 0.029 0.000 0.852 343 D CB 0.021 40.885 40.800 0.106 0.000 0.947 343 D HN 0.431 nan 8.370 nan 0.000 0.494 344 F N 0.807 120.773 119.950 0.027 0.000 2.850 344 F HA 0.196 4.723 4.527 -0.000 0.000 0.306 344 F C 0.835 176.751 175.800 0.193 0.000 1.162 344 F CA -0.647 57.361 58.000 0.013 0.000 1.327 344 F CB 0.223 39.144 39.000 -0.132 0.000 0.953 344 F HN -0.391 nan 8.300 nan 0.000 0.507 345 K N 0.341 120.873 120.400 0.220 0.000 2.412 345 K HA 0.347 4.666 4.320 -0.000 0.000 0.281 345 K C 1.208 177.929 176.600 0.200 0.000 1.027 345 K CA 1.051 57.487 56.287 0.248 0.000 0.989 345 K CB 0.309 32.888 32.500 0.131 0.000 0.935 345 K HN 0.515 nan 8.250 nan 0.000 0.475 346 G N 4.137 113.089 108.800 0.254 0.000 2.141 346 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.242 346 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.242 346 G C 0.323 175.349 174.900 0.211 0.000 0.982 346 G CA 0.093 45.299 45.100 0.177 0.000 0.662 346 G HN 0.678 nan 8.290 nan 0.000 0.527 347 F N 1.982 121.921 119.950 -0.019 0.000 2.095 347 F HA 0.041 4.567 4.527 -0.000 0.000 0.298 347 F C 0.458 176.176 175.800 -0.138 0.000 1.104 347 F CA 1.762 59.683 58.000 -0.132 0.000 1.232 347 F CB -1.230 37.464 39.000 -0.511 0.000 0.987 347 F HN 0.264 nan 8.300 nan 0.000 0.475 348 P HA -0.171 nan 4.420 nan 0.000 0.216 348 P C 1.358 178.560 177.300 -0.163 0.000 1.150 348 P CA 2.004 64.956 63.100 -0.246 0.000 0.837 348 P CB -0.031 31.585 31.700 -0.141 0.000 0.786 349 E N -1.436 118.738 120.200 -0.044 0.000 2.077 349 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 349 E C 1.722 178.305 176.600 -0.029 0.000 0.989 349 E CA 0.899 57.282 56.400 -0.029 0.000 0.800 349 E CB -0.989 28.726 29.700 0.025 0.000 0.746 349 E HN 0.208 nan 8.360 nan 0.000 0.452 350 F N 0.736 120.621 119.950 -0.108 0.000 2.126 350 F HA -0.223 4.304 4.527 -0.000 0.000 0.299 350 F C 1.908 177.567 175.800 -0.236 0.000 1.096 350 F CA 1.068 59.003 58.000 -0.109 0.000 1.255 350 F CB -0.298 38.712 39.000 0.016 0.000 0.997 350 F HN -0.151 nan 8.300 nan 0.000 0.479 351 V N 0.956 120.598 119.914 -0.453 0.000 2.358 351 V HA -0.316 3.804 4.120 -0.000 0.000 0.246 351 V C 2.196 177.826 176.094 -0.774 0.000 1.047 351 V CA 2.060 63.908 62.300 -0.753 0.000 1.035 351 V CB -0.915 30.486 31.823 -0.703 0.000 0.658 351 V HN 0.342 nan 8.190 nan 0.000 0.452 352 N N 0.390 118.814 118.700 -0.461 0.000 2.104 352 N HA -0.188 4.552 4.740 -0.000 0.000 0.190 352 N C 1.802 177.136 175.510 -0.294 0.000 1.024 352 N CA 1.637 54.503 53.050 -0.307 0.000 0.853 352 N CB -0.317 38.066 38.487 -0.173 0.000 1.008 352 N HN 0.615 nan 8.380 nan 0.000 0.424 353 E N 0.638 120.648 120.200 -0.316 0.000 2.051 353 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 353 E C 2.126 178.506 176.600 -0.366 0.000 0.991 353 E CA 0.627 56.861 56.400 -0.278 0.000 0.799 353 E CB -0.246 29.325 29.700 -0.215 0.000 0.748 353 E HN 0.278 nan 8.360 nan 0.000 0.449 354 L N 0.467 121.328 121.223 -0.603 0.000 1.978 354 L HA -0.288 4.052 4.340 -0.000 0.000 0.218 354 L C 2.485 179.161 176.870 -0.324 0.000 1.075 354 L CA 1.860 56.371 54.840 -0.548 0.000 0.767 354 L CB -0.789 40.837 42.059 -0.723 0.000 0.890 354 L HN 0.296 nan 8.230 nan 0.000 0.434 355 H N -0.822 118.045 119.070 -0.339 0.000 2.352 355 H HA -0.142 4.414 4.556 -0.000 0.000 0.299 355 H C 2.049 177.246 175.328 -0.217 0.000 1.097 355 H CA 1.108 56.990 56.048 -0.276 0.000 1.311 355 H CB 0.029 29.640 29.762 -0.252 0.000 1.377 355 H HN 0.370 nan 8.280 nan 0.000 0.504 356 N N 0.727 119.380 118.700 -0.077 0.000 2.309 356 N HA -0.105 4.634 4.740 -0.000 0.000 0.182 356 N C 0.668 176.122 175.510 -0.093 0.000 1.018 356 N CA 0.932 53.932 53.050 -0.084 0.000 0.876 356 N CB -0.219 38.215 38.487 -0.087 0.000 0.972 356 N HN 0.488 nan 8.380 nan 0.000 0.434 357 N N -0.452 118.172 118.700 -0.126 0.000 2.314 357 N HA 0.169 4.909 4.740 -0.000 0.000 0.200 357 N C 0.569 176.006 175.510 -0.122 0.000 1.135 357 N CA 0.260 53.238 53.050 -0.120 0.000 0.835 357 N CB 0.542 38.942 38.487 -0.145 0.000 0.989 357 N HN 0.152 nan 8.380 nan 0.000 0.478 358 G N 0.639 109.367 108.800 -0.121 0.000 2.143 358 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.248 358 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.248 358 G C -0.067 174.733 174.900 -0.166 0.000 0.991 358 G CA 0.052 45.080 45.100 -0.121 0.000 0.689 358 G HN 0.356 nan 8.290 nan 0.000 0.522 359 Q N -0.948 118.726 119.800 -0.211 0.000 2.286 359 Q HA 0.775 5.115 4.340 -0.000 0.000 0.250 359 Q C -0.220 175.603 176.000 -0.294 0.000 1.021 359 Q CA -0.899 54.734 55.803 -0.284 0.000 0.930 359 Q CB 1.255 29.770 28.738 -0.371 0.000 1.266 359 Q HN 0.069 nan 8.270 nan 0.000 0.491 360 K N 0.854 121.027 120.400 -0.377 0.000 2.435 360 K HA 0.528 4.847 4.320 -0.000 0.000 0.251 360 K C -1.543 174.878 176.600 -0.299 0.000 0.954 360 K CA -0.861 55.138 56.287 -0.480 0.000 0.820 360 K CB 1.941 33.798 32.500 -1.071 0.000 1.292 360 K HN 0.412 nan 8.250 nan 0.000 0.436 361 L N 1.466 122.572 121.223 -0.195 0.000 2.333 361 L HA 0.464 4.803 4.340 -0.000 0.000 0.280 361 L C -1.295 175.593 176.870 0.031 0.000 1.004 361 L CA -0.664 54.136 54.840 -0.067 0.000 0.820 361 L CB 1.790 43.791 42.059 -0.096 0.000 1.247 361 L HN 0.300 nan 8.230 nan 0.000 0.416 362 V N 6.351 126.276 119.914 0.018 0.000 2.459 362 V HA 0.508 4.628 4.120 -0.000 0.000 0.295 362 V C 0.056 176.237 176.094 0.145 0.000 1.029 362 V CA -0.506 61.824 62.300 0.049 0.000 0.874 362 V CB 1.583 33.245 31.823 -0.269 0.000 0.985 362 V HN 0.742 nan 8.190 nan 0.000 0.438 363 I N 2.986 123.663 120.570 0.178 0.000 2.493 363 I HA 0.657 4.826 4.170 -0.000 0.000 0.298 363 I C -0.287 175.977 176.117 0.246 0.000 0.998 363 I CA -0.670 60.721 61.300 0.151 0.000 1.137 363 I CB 1.800 39.748 38.000 -0.087 0.000 1.310 363 I HN 0.548 nan 8.210 nan 0.000 0.445 364 I N 5.597 126.324 120.570 0.262 0.000 2.581 364 I HA 0.476 4.646 4.170 -0.000 0.000 0.288 364 I C -0.876 175.223 176.117 -0.029 0.000 1.047 364 I CA -0.402 60.849 61.300 -0.082 0.000 1.374 364 I CB 1.234 38.858 38.000 -0.628 0.000 1.423 364 I HN 0.478 nan 8.210 nan 0.000 0.549 365 V N 6.461 126.329 119.914 -0.076 0.000 2.668 365 V HA 0.361 4.480 4.120 -0.000 0.000 0.304 365 V C -0.873 175.247 176.094 0.044 0.000 1.071 365 V CA -0.901 61.365 62.300 -0.057 0.000 0.894 365 V CB 1.768 33.621 31.823 0.050 0.000 1.008 365 V HN 0.653 nan 8.190 nan 0.000 0.425 366 D N 6.168 126.583 120.400 0.026 0.000 2.294 366 D HA 0.365 5.005 4.640 -0.000 0.000 0.250 366 D C -1.545 174.933 176.300 0.297 0.000 1.058 366 D CA -1.420 52.663 54.000 0.139 0.000 0.950 366 D CB 2.326 43.197 40.800 0.119 0.000 1.158 366 D HN 0.263 nan 8.370 nan 0.000 0.453 367 P HA -0.015 nan 4.420 nan 0.000 0.218 367 P C 0.190 177.704 177.300 0.357 0.000 1.152 367 P CA 0.548 63.922 63.100 0.457 0.000 0.826 367 P CB 0.289 32.332 31.700 0.572 0.000 0.790 368 A N 1.003 123.910 122.820 0.145 0.000 2.440 368 A HA 0.369 4.689 4.320 -0.000 0.000 0.251 368 A C 0.250 177.784 177.584 -0.083 0.000 1.089 368 A CA 0.129 52.052 52.037 -0.191 0.000 0.779 368 A CB -0.402 18.287 19.000 -0.518 0.000 1.022 368 A HN 0.015 nan 8.150 nan 0.000 0.492 369 I N 2.213 122.695 120.570 -0.148 0.000 2.389 369 I HA 0.185 4.355 4.170 -0.000 0.000 0.288 369 I C 0.875 176.921 176.117 -0.119 0.000 0.999 369 I CA -0.120 61.228 61.300 0.081 0.000 1.129 369 I CB 1.211 39.400 38.000 0.316 0.000 1.288 369 I HN 0.701 nan 8.210 nan 0.000 0.444 370 S N 5.278 120.944 115.700 -0.057 0.000 2.593 370 S HA -0.068 4.402 4.470 -0.000 0.000 0.300 370 S C 1.169 175.552 174.600 -0.361 0.000 1.267 370 S CA -0.100 57.946 58.200 -0.256 0.000 1.065 370 S CB -0.018 62.938 63.200 -0.407 0.000 0.807 370 S HN 0.687 nan 8.310 nan 0.000 0.499 371 N N 3.963 122.291 118.700 -0.619 0.000 2.313 371 N HA -0.006 4.734 4.740 -0.000 0.000 0.207 371 N C -0.375 174.649 175.510 -0.811 0.000 1.141 371 N CA -0.193 52.120 53.050 -1.228 0.000 0.830 371 N CB -0.354 37.560 38.487 -0.954 0.000 1.008 371 N HN 0.418 nan 8.380 nan 0.000 0.481 372 N N 0.594 119.028 118.700 -0.443 0.000 2.558 372 N HA 0.118 4.858 4.740 -0.000 0.000 0.233 372 N C -1.555 173.891 175.510 -0.106 0.000 1.038 372 N CA 0.079 52.984 53.050 -0.243 0.000 0.934 372 N CB 0.442 38.807 38.487 -0.204 0.000 1.175 372 N HN 0.186 nan 8.380 nan 0.000 0.512 373 S N 1.424 117.104 115.700 -0.034 0.000 2.572 373 S HA 0.671 5.140 4.470 -0.000 0.000 0.274 373 S C -1.021 173.634 174.600 0.093 0.000 1.150 373 S CA -0.530 57.739 58.200 0.115 0.000 0.944 373 S CB 0.606 63.984 63.200 0.296 0.000 1.071 373 S HN 0.547 nan 8.310 nan 0.000 0.479 374 S N 2.612 118.362 115.700 0.083 0.000 2.697 374 S HA 0.566 5.035 4.470 -0.000 0.000 0.289 374 S C 0.774 175.414 174.600 0.066 0.000 1.149 374 S CA -0.541 57.697 58.200 0.063 0.000 0.850 374 S CB 1.083 64.304 63.200 0.036 0.000 1.151 374 S HN 0.540 nan 8.310 nan 0.000 0.491 375 S N 1.232 116.963 115.700 0.051 0.000 2.383 375 S HA -0.107 4.363 4.470 -0.000 0.000 0.227 375 S C 2.063 176.687 174.600 0.040 0.000 1.026 375 S CA 1.378 59.605 58.200 0.045 0.000 0.981 375 S CB -0.688 62.533 63.200 0.036 0.000 0.818 375 S HN 0.813 nan 8.310 nan 0.000 0.472 376 S N 1.460 117.180 115.700 0.034 0.000 2.363 376 S HA -0.068 4.402 4.470 -0.000 0.000 0.218 376 S C 0.535 175.156 174.600 0.035 0.000 1.035 376 S CA 1.071 59.288 58.200 0.029 0.000 1.043 376 S CB -0.128 63.084 63.200 0.021 0.000 0.986 376 S HN 0.288 nan 8.310 nan 0.000 0.423 377 K N 2.358 122.782 120.400 0.040 0.000 2.530 377 K HA 0.526 4.846 4.320 -0.000 0.000 0.230 377 K C -2.946 173.704 176.600 0.083 0.000 1.002 377 K CA -2.364 53.953 56.287 0.051 0.000 1.014 377 K CB 1.870 34.389 32.500 0.032 0.000 1.286 377 K HN 0.288 nan 8.250 nan 0.000 0.480 378 P HA 0.074 nan 4.420 nan 0.000 0.277 378 P C -1.380 176.055 177.300 0.224 0.000 1.240 378 P CA -0.434 62.752 63.100 0.144 0.000 0.798 378 P CB 0.441 32.207 31.700 0.110 0.000 0.979 379 Y N 1.209 121.575 120.300 0.110 0.000 2.447 379 Y HA 0.481 5.031 4.550 -0.000 0.000 0.325 379 Y C 1.351 177.367 175.900 0.193 0.000 0.976 379 Y CA -0.464 57.713 58.100 0.129 0.000 1.280 379 Y CB 0.511 39.032 38.460 0.103 0.000 1.104 379 Y HN 0.541 nan 8.280 nan 0.000 0.486 380 G N 5.778 114.520 108.800 -0.097 0.000 2.476 380 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.218 380 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.218 380 G C -0.870 173.971 174.900 -0.099 0.000 1.164 380 G CA 0.864 45.918 45.100 -0.077 0.000 0.768 380 G HN 0.563 nan 8.290 nan 0.000 0.560 381 P HA -0.169 nan 4.420 nan 0.000 0.216 381 P C 1.449 178.981 177.300 0.387 0.000 1.153 381 P CA 1.051 64.196 63.100 0.076 0.000 0.858 381 P CB -0.131 31.560 31.700 -0.015 0.000 0.789 382 Y N 0.897 121.251 120.300 0.090 0.000 2.145 382 Y HA -0.204 4.346 4.550 -0.000 0.000 0.286 382 Y C 1.846 177.923 175.900 0.296 0.000 1.145 382 Y CA 1.737 60.027 58.100 0.317 0.000 1.148 382 Y CB -0.908 37.693 38.460 0.236 0.000 0.981 382 Y HN -0.110 nan 8.280 nan 0.000 0.507 383 D N -0.170 120.303 120.400 0.122 0.000 2.097 383 D HA -0.156 4.484 4.640 -0.000 0.000 0.195 383 D C 2.291 178.567 176.300 -0.040 0.000 0.989 383 D CA 1.528 55.531 54.000 0.005 0.000 0.827 383 D CB -0.321 40.521 40.800 0.071 0.000 0.966 383 D HN 0.379 nan 8.370 nan 0.000 0.456 384 R N 0.230 120.755 120.500 0.042 0.000 2.096 384 R HA -0.041 4.299 4.340 -0.000 0.000 0.235 384 R C 2.369 178.604 176.300 -0.107 0.000 1.127 384 R CA 1.227 57.362 56.100 0.057 0.000 0.968 384 R CB -0.443 29.969 30.300 0.187 0.000 0.861 384 R HN 0.169 nan 8.270 nan 0.000 0.440 385 G N -0.166 108.441 108.800 -0.322 0.000 2.403 385 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.216 385 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.216 385 G C 1.373 175.623 174.900 -1.083 0.000 1.154 385 G CA 0.497 44.790 45.100 -1.345 0.000 0.784 385 G HN 0.215 nan 8.290 nan 0.000 0.538 386 S N 1.068 116.501 115.700 -0.444 0.000 2.387 386 S HA -0.055 4.415 4.470 -0.000 0.000 0.226 386 S C 1.905 176.350 174.600 -0.260 0.000 1.026 386 S CA 1.121 59.172 58.200 -0.248 0.000 0.972 386 S CB -0.181 62.873 63.200 -0.245 0.000 0.814 386 S HN 0.302 nan 8.310 nan 0.000 0.477 387 D N 1.695 121.962 120.400 -0.221 0.000 2.144 387 D HA -0.033 4.606 4.640 -0.000 0.000 0.199 387 D C 1.607 177.790 176.300 -0.195 0.000 0.984 387 D CA 1.067 54.973 54.000 -0.158 0.000 0.834 387 D CB -0.231 40.508 40.800 -0.102 0.000 0.955 387 D HN 0.391 nan 8.370 nan 0.000 0.465 388 M N -0.403 119.021 119.600 -0.294 0.000 2.541 388 M HA 0.043 4.523 4.480 -0.000 0.000 0.252 388 M C -0.053 176.029 176.300 -0.363 0.000 1.125 388 M CA 0.306 55.429 55.300 -0.295 0.000 1.091 388 M CB 0.151 32.577 32.600 -0.290 0.000 1.420 388 M HN -0.178 nan 8.290 nan 0.000 0.486 389 K N 1.030 121.159 120.400 -0.453 0.000 3.150 389 K HA -0.173 4.147 4.320 -0.000 0.000 0.267 389 K C -0.002 176.307 176.600 -0.486 0.000 1.028 389 K CA 0.271 56.318 56.287 -0.401 0.000 0.753 389 K CB -1.969 30.408 32.500 -0.206 0.000 1.288 389 K HN 0.426 nan 8.250 nan 0.000 0.473 390 I N -3.863 116.193 120.570 -0.857 0.000 3.914 390 I HA 0.205 4.375 4.170 -0.000 0.000 0.333 390 I C 0.340 176.041 176.117 -0.694 0.000 1.449 390 I CA -0.561 60.282 61.300 -0.761 0.000 1.135 390 I CB -0.130 37.395 38.000 -0.791 0.000 1.073 390 I HN 0.167 nan 8.210 nan 0.000 0.401 391 W N 0.451 121.578 121.300 -0.288 0.000 2.215 391 W HA 0.563 5.223 4.660 -0.000 0.000 0.342 391 W C 0.294 176.755 176.519 -0.097 0.000 1.237 391 W CA -1.342 55.884 57.345 -0.197 0.000 1.283 391 W CB 0.584 29.962 29.460 -0.137 0.000 1.131 391 W HN -0.286 nan 8.180 nan 0.000 0.606 392 V N 3.294 123.366 119.914 0.263 0.000 2.655 392 V HA -0.045 4.074 4.120 -0.000 0.000 0.300 392 V C 0.178 176.375 176.094 0.172 0.000 1.044 392 V CA -0.262 62.147 62.300 0.182 0.000 1.095 392 V CB -0.222 31.721 31.823 0.200 0.000 0.952 392 V HN 0.444 nan 8.190 nan 0.000 0.485 393 N N 2.276 121.045 118.700 0.114 0.000 2.456 393 N HA 0.392 5.132 4.740 -0.000 0.000 0.296 393 N C 0.031 175.580 175.510 0.065 0.000 1.102 393 N CA -0.392 52.712 53.050 0.090 0.000 0.924 393 N CB 1.571 40.100 38.487 0.070 0.000 1.186 393 N HN 0.667 nan 8.380 nan 0.000 0.492 394 S N -0.056 115.674 115.700 0.051 0.000 2.592 394 S HA -0.056 4.414 4.470 -0.000 0.000 0.256 394 S C 1.585 176.200 174.600 0.024 0.000 1.369 394 S CA -0.120 58.096 58.200 0.028 0.000 0.984 394 S CB 0.231 63.441 63.200 0.018 0.000 0.919 394 S HN 0.706 nan 8.310 nan 0.000 0.576 395 S N 1.055 116.761 115.700 0.010 0.000 2.442 395 S HA -0.183 4.287 4.470 -0.000 0.000 0.236 395 S C 1.269 175.876 174.600 0.012 0.000 1.007 395 S CA 1.443 59.648 58.200 0.009 0.000 0.965 395 S CB -0.668 62.529 63.200 -0.005 0.000 0.773 395 S HN 0.830 nan 8.310 nan 0.000 0.504 396 D N 1.072 121.479 120.400 0.012 0.000 2.351 396 D HA 0.088 4.728 4.640 -0.000 0.000 0.216 396 D C 1.636 177.948 176.300 0.020 0.000 0.968 396 D CA 0.989 54.997 54.000 0.013 0.000 0.899 396 D CB -1.181 39.626 40.800 0.011 0.000 0.907 396 D HN 0.682 nan 8.370 nan 0.000 0.514 397 G N -0.434 108.382 108.800 0.027 0.000 2.234 397 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.260 397 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.260 397 G C 1.029 175.949 174.900 0.033 0.000 0.987 397 G CA 1.351 46.470 45.100 0.033 0.000 0.625 397 G HN 1.070 nan 8.290 nan 0.000 0.532 398 V N -3.613 116.319 119.914 0.031 0.000 3.497 398 V HA 0.486 4.605 4.120 -0.000 0.000 0.272 398 V C 0.705 176.823 176.094 0.039 0.000 1.474 398 V CA 1.051 63.369 62.300 0.030 0.000 1.025 398 V CB 0.642 32.477 31.823 0.021 0.000 0.820 398 V HN 0.329 nan 8.190 nan 0.000 0.437 399 T N 4.025 118.604 114.554 0.042 0.000 2.749 399 T HA 0.525 4.875 4.350 -0.000 0.000 0.287 399 T C -2.779 171.960 174.700 0.066 0.000 0.970 399 T CA -1.163 60.966 62.100 0.048 0.000 0.980 399 T CB 1.431 70.318 68.868 0.032 0.000 0.924 399 T HN 0.205 nan 8.240 nan 0.000 0.456 400 P HA 0.064 nan 4.420 nan 0.000 0.262 400 P C -0.065 177.274 177.300 0.065 0.000 1.182 400 P CA -0.401 62.766 63.100 0.112 0.000 0.761 400 P CB 0.418 32.181 31.700 0.105 0.000 0.795 401 L N 4.571 125.852 121.223 0.096 0.000 2.416 401 L HA 0.204 4.544 4.340 -0.000 0.000 0.272 401 L C -0.255 176.679 176.870 0.106 0.000 1.161 401 L CA 0.059 54.955 54.840 0.092 0.000 0.845 401 L CB 0.070 42.188 42.059 0.098 0.000 1.119 401 L HN 0.207 nan 8.230 nan 0.000 0.464 402 I N 5.231 125.838 120.570 0.062 0.000 2.354 402 I HA 0.495 4.665 4.170 -0.000 0.000 0.292 402 I C 0.629 176.806 176.117 0.100 0.000 0.989 402 I CA -0.123 61.191 61.300 0.024 0.000 1.188 402 I CB 0.609 38.583 38.000 -0.043 0.000 1.342 402 I HN 0.746 nan 8.210 nan 0.000 0.457 403 G N 5.070 113.970 108.800 0.167 0.000 3.243 403 G HA2 0.590 4.550 3.960 -0.000 0.000 0.248 403 G HA3 0.590 4.550 3.960 -0.000 0.000 0.248 403 G C -1.305 173.603 174.900 0.012 0.000 1.267 403 G CA -0.304 44.911 45.100 0.192 0.000 0.906 403 G HN 0.522 nan 8.290 nan 0.000 0.592 404 E N -1.004 119.200 120.200 0.007 0.000 2.278 404 E HA 0.554 4.904 4.350 -0.000 0.000 0.272 404 E C -1.040 175.358 176.600 -0.337 0.000 0.890 404 E CA -0.580 55.752 56.400 -0.112 0.000 0.770 404 E CB 2.245 31.945 29.700 0.000 0.000 1.212 404 E HN 0.293 nan 8.360 nan 0.000 0.415 405 V N 2.784 122.398 119.914 -0.500 0.000 5.071 405 V HA 0.294 4.414 4.120 -0.000 0.000 0.300 405 V C 0.585 176.325 176.094 -0.591 0.000 1.520 405 V CA -0.822 60.830 62.300 -1.079 0.000 0.822 405 V CB -0.094 31.217 31.823 -0.854 0.000 1.318 405 V HN 0.885 nan 8.190 nan 0.000 0.446 406 W N 1.111 122.248 121.300 -0.271 0.000 2.358 406 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 406 W C -0.581 175.912 176.519 -0.043 0.000 1.208 406 W CA 1.664 59.007 57.345 -0.003 0.000 1.274 406 W CB -1.123 28.318 29.460 -0.032 0.000 1.138 406 W HN 0.478 nan 8.180 nan 0.000 0.515 407 P HA 0.267 nan 4.420 nan 0.000 0.255 407 P C 0.658 177.920 177.300 -0.064 0.000 1.248 407 P CA 1.558 64.642 63.100 -0.026 0.000 0.807 407 P CB 0.559 32.175 31.700 -0.139 0.000 1.150 408 G N -0.123 108.646 108.800 -0.053 0.000 2.384 408 G HA2 -0.155 3.804 3.960 -0.000 0.000 0.200 408 G HA3 -0.155 3.804 3.960 -0.000 0.000 0.200 408 G C -1.076 173.741 174.900 -0.137 0.000 1.205 408 G CA -0.818 44.240 45.100 -0.070 0.000 1.116 408 G HN 0.212 nan 8.290 nan 0.000 0.547 409 Q N 1.143 120.855 119.800 -0.147 0.000 2.315 409 Q HA 0.445 4.784 4.340 -0.000 0.000 0.289 409 Q C 0.487 176.313 176.000 -0.289 0.000 1.044 409 Q CA 1.346 57.035 55.803 -0.189 0.000 0.920 409 Q CB 0.540 29.175 28.738 -0.173 0.000 1.214 409 Q HN 0.995 nan 8.270 nan 0.000 0.392 410 T N -2.051 112.288 114.554 -0.357 0.000 2.868 410 T HA 0.656 5.006 4.350 -0.000 0.000 0.306 410 T C -0.376 173.942 174.700 -0.637 0.000 1.224 410 T CA -0.940 60.844 62.100 -0.526 0.000 1.012 410 T CB 1.122 69.601 68.868 -0.647 0.000 1.221 410 T HN 0.401 nan 8.240 nan 0.000 0.499 411 V N -1.067 118.391 119.914 -0.760 0.000 3.096 411 V HA 0.921 5.040 4.120 -0.000 0.000 0.319 411 V C -1.182 174.404 176.094 -0.846 0.000 1.103 411 V CA -1.361 60.483 62.300 -0.761 0.000 1.016 411 V CB 1.182 32.387 31.823 -1.030 0.000 1.090 411 V HN 0.867 nan 8.190 nan 0.000 0.449 412 F N 0.726 120.610 119.950 -0.110 0.000 2.493 412 F HA 0.693 5.219 4.527 -0.000 0.000 0.329 412 F C -2.495 173.466 175.800 0.268 0.000 1.126 412 F CA -2.512 55.542 58.000 0.090 0.000 0.937 412 F CB 2.011 41.043 39.000 0.053 0.000 1.146 412 F HN 0.308 nan 8.300 nan 0.000 0.442 413 P HA 0.027 nan 4.420 nan 0.000 0.271 413 P C -0.801 176.320 177.300 -0.298 0.000 1.216 413 P CA -0.119 62.906 63.100 -0.125 0.000 0.776 413 P CB 0.679 32.058 31.700 -0.534 0.000 0.881 414 D N 1.888 122.079 120.400 -0.348 0.000 2.479 414 D HA 0.096 4.736 4.640 -0.000 0.000 0.218 414 D C -0.019 176.014 176.300 -0.445 0.000 1.131 414 D CA -0.378 53.449 54.000 -0.288 0.000 0.916 414 D CB -0.284 40.423 40.800 -0.156 0.000 1.022 414 D HN 0.247 nan 8.370 nan 0.000 0.515 415 Y N 1.096 121.126 120.300 -0.450 0.000 2.616 415 Y HA -0.070 4.479 4.550 -0.000 0.000 0.296 415 Y C 2.591 178.142 175.900 -0.581 0.000 1.154 415 Y CA 1.094 58.893 58.100 -0.503 0.000 1.325 415 Y CB -0.231 37.856 38.460 -0.622 0.000 1.007 415 Y HN 0.434 nan 8.280 nan 0.000 0.542 416 T N -2.542 111.652 114.554 -0.599 0.000 3.072 416 T HA -0.083 4.267 4.350 -0.000 0.000 0.266 416 T C 0.752 175.178 174.700 -0.457 0.000 1.127 416 T CA 0.207 61.694 62.100 -1.021 0.000 1.107 416 T CB -0.352 67.636 68.868 -1.466 0.000 0.910 416 T HN 0.073 nan 8.240 nan 0.000 0.513 417 N N 2.774 121.297 118.700 -0.296 0.000 2.422 417 N HA 0.214 4.953 4.740 -0.000 0.000 0.264 417 N C -1.518 173.862 175.510 -0.217 0.000 1.063 417 N CA -2.465 50.418 53.050 -0.279 0.000 0.959 417 N CB 1.884 40.209 38.487 -0.271 0.000 1.087 417 N HN 0.025 nan 8.380 nan 0.000 0.483 418 P HA -0.149 nan 4.420 nan 0.000 0.216 418 P C 0.418 177.677 177.300 -0.069 0.000 1.150 418 P CA 1.225 64.272 63.100 -0.088 0.000 0.843 418 P CB 0.411 32.072 31.700 -0.064 0.000 0.787 419 N N -0.611 118.024 118.700 -0.108 0.000 2.453 419 N HA -0.098 4.642 4.740 -0.000 0.000 0.183 419 N C 1.965 177.457 175.510 -0.029 0.000 1.041 419 N CA 0.575 53.582 53.050 -0.073 0.000 0.900 419 N CB -1.257 37.160 38.487 -0.115 0.000 0.961 419 N HN 0.247 nan 8.380 nan 0.000 0.443 420 C N 1.056 120.315 119.300 -0.068 0.000 2.440 420 C HA 0.127 4.587 4.460 -0.000 0.000 0.278 420 C C 2.784 177.915 174.990 0.235 0.000 1.295 420 C CA 0.933 59.955 59.018 0.007 0.000 1.738 420 C CB -1.092 26.530 27.740 -0.197 0.000 1.987 420 C HN 0.476 nan 8.230 nan 0.000 0.492 421 A N -0.137 122.777 122.820 0.156 0.000 1.972 421 A HA -0.059 4.261 4.320 -0.000 0.000 0.219 421 A C 2.272 179.989 177.584 0.222 0.000 1.169 421 A CA 2.193 54.372 52.037 0.236 0.000 0.635 421 A CB -0.655 18.419 19.000 0.124 0.000 0.810 421 A HN 0.469 nan 8.150 nan 0.000 0.446 422 V N -2.016 117.983 119.914 0.141 0.000 2.379 422 V HA -0.224 3.896 4.120 -0.000 0.000 0.245 422 V C 2.161 178.324 176.094 0.115 0.000 1.044 422 V CA 1.707 64.064 62.300 0.095 0.000 1.036 422 V CB -0.979 30.874 31.823 0.050 0.000 0.664 422 V HN 0.901 nan 8.190 nan 0.000 0.453 423 W N -0.044 121.249 121.300 -0.012 0.000 2.333 423 W HA -0.240 4.420 4.660 -0.000 0.000 0.316 423 W C 2.529 179.098 176.519 0.084 0.000 1.215 423 W CA 1.835 59.159 57.345 -0.035 0.000 1.278 423 W CB -0.551 28.825 29.460 -0.140 0.000 1.154 423 W HN 0.373 nan 8.180 nan 0.000 0.486 424 W N 1.160 122.261 121.300 -0.331 0.000 2.338 424 W HA -0.266 4.394 4.660 -0.000 0.000 0.304 424 W C 2.007 178.396 176.519 -0.217 0.000 1.212 424 W CA 2.294 59.350 57.345 -0.482 0.000 1.264 424 W CB -0.658 28.879 29.460 0.129 0.000 1.142 424 W HN -0.183 nan 8.180 nan 0.000 0.512 425 T N 0.763 115.349 114.554 0.054 0.000 2.684 425 T HA -0.276 4.073 4.350 -0.000 0.000 0.267 425 T C 1.646 176.265 174.700 -0.136 0.000 1.036 425 T CA 2.145 64.239 62.100 -0.011 0.000 1.148 425 T CB -0.433 68.445 68.868 0.018 0.000 0.863 425 T HN -0.089 nan 8.240 nan 0.000 0.436 426 K N 1.257 121.538 120.400 -0.198 0.000 2.103 426 K HA -0.103 4.217 4.320 -0.000 0.000 0.207 426 K C 2.189 178.550 176.600 -0.400 0.000 1.048 426 K CA 1.256 57.400 56.287 -0.237 0.000 0.930 426 K CB -0.316 32.071 32.500 -0.189 0.000 0.716 426 K HN 0.161 nan 8.250 nan 0.000 0.444 427 E N -0.434 119.316 120.200 -0.750 0.000 2.077 427 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 427 E C 2.005 177.974 176.600 -1.052 0.000 0.989 427 E CA 1.100 56.760 56.400 -1.233 0.000 0.800 427 E CB -0.353 28.018 29.700 -2.215 0.000 0.746 427 E HN 0.315 nan 8.360 nan 0.000 0.452 428 F N 1.138 120.688 119.950 -0.667 0.000 2.163 428 F HA -0.077 4.450 4.527 -0.000 0.000 0.297 428 F C 2.543 178.342 175.800 -0.002 0.000 1.094 428 F CA 1.266 59.169 58.000 -0.162 0.000 1.290 428 F CB -0.337 38.569 39.000 -0.156 0.000 1.017 428 F HN 0.076 nan 8.300 nan 0.000 0.483 429 E N 0.597 120.819 120.200 0.037 0.000 2.058 429 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 429 E C 2.218 178.832 176.600 0.025 0.000 0.997 429 E CA 1.366 57.754 56.400 -0.020 0.000 0.801 429 E CB -0.290 29.360 29.700 -0.084 0.000 0.746 429 E HN 0.374 nan 8.360 nan 0.000 0.450 430 L N -0.142 121.069 121.223 -0.019 0.000 2.012 430 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 430 L C 2.480 179.453 176.870 0.172 0.000 1.073 430 L CA 1.277 56.133 54.840 0.027 0.000 0.748 430 L CB -0.476 41.554 42.059 -0.048 0.000 0.891 430 L HN 0.253 nan 8.230 nan 0.000 0.431 431 F N -0.537 119.461 119.950 0.081 0.000 2.259 431 F HA -0.176 4.351 4.527 -0.000 0.000 0.298 431 F C 2.678 178.681 175.800 0.339 0.000 1.088 431 F CA 1.340 59.496 58.000 0.261 0.000 1.358 431 F CB -0.515 38.723 39.000 0.396 0.000 1.040 431 F HN 0.129 nan 8.300 nan 0.000 0.505 432 H N 0.214 119.391 119.070 0.179 0.000 2.421 432 H HA -0.138 4.418 4.556 -0.000 0.000 0.298 432 H C 1.619 176.803 175.328 -0.240 0.000 1.087 432 H CA 1.497 57.427 56.048 -0.197 0.000 1.330 432 H CB -0.088 29.406 29.762 -0.448 0.000 1.388 432 H HN 0.226 nan 8.280 nan 0.000 0.526 433 N N 0.768 119.414 118.700 -0.089 0.000 2.223 433 N HA -0.136 4.603 4.740 -0.000 0.000 0.185 433 N C 1.927 177.356 175.510 -0.135 0.000 1.016 433 N CA 1.135 54.122 53.050 -0.105 0.000 0.863 433 N CB -0.138 38.336 38.487 -0.021 0.000 0.983 433 N HN 0.659 nan 8.380 nan 0.000 0.429 434 Q N -0.365 119.362 119.800 -0.122 0.000 2.165 434 Q HA 0.139 4.478 4.340 -0.000 0.000 0.197 434 Q C -0.030 175.804 176.000 -0.276 0.000 0.952 434 Q CA 0.626 56.377 55.803 -0.088 0.000 0.848 434 Q CB 0.628 29.438 28.738 0.121 0.000 0.931 434 Q HN 0.010 nan 8.270 nan 0.000 0.470 435 V N 2.165 121.766 119.914 -0.522 0.000 2.407 435 V HA 0.151 4.271 4.120 -0.000 0.000 0.291 435 V C -0.602 175.111 176.094 -0.636 0.000 1.018 435 V CA -0.567 61.356 62.300 -0.630 0.000 0.842 435 V CB 1.595 32.941 31.823 -0.795 0.000 0.996 435 V HN 0.176 nan 8.190 nan 0.000 0.426 436 E N 5.063 124.876 120.200 -0.646 0.000 2.110 436 E HA 0.199 4.549 4.350 -0.000 0.000 0.300 436 E C -0.202 176.184 176.600 -0.357 0.000 1.278 436 E CA -0.246 55.663 56.400 -0.819 0.000 1.365 436 E CB 0.022 29.464 29.700 -0.431 0.000 1.283 436 E HN 0.691 nan 8.360 nan 0.000 0.490 437 F N -0.711 119.174 119.950 -0.108 0.000 2.485 437 F HA 0.141 4.668 4.527 -0.000 0.000 0.327 437 F C 0.877 176.904 175.800 0.377 0.000 1.203 437 F CA -0.353 57.711 58.000 0.106 0.000 1.295 437 F CB 0.648 39.745 39.000 0.162 0.000 1.191 437 F HN -0.035 nan 8.300 nan 0.000 0.588 438 D N 0.039 120.660 120.400 0.367 0.000 2.423 438 D HA 0.272 4.912 4.640 -0.000 0.000 0.208 438 D C 0.723 177.042 176.300 0.031 0.000 1.068 438 D CA 0.679 54.724 54.000 0.075 0.000 0.860 438 D CB 1.094 41.700 40.800 -0.322 0.000 0.992 438 D HN 0.768 nan 8.370 nan 0.000 0.504 439 G N 0.305 109.339 108.800 0.390 0.000 2.600 439 G HA2 0.589 4.549 3.960 -0.000 0.000 0.293 439 G HA3 0.589 4.549 3.960 -0.000 0.000 0.293 439 G C -1.816 173.341 174.900 0.428 0.000 1.408 439 G CA -0.666 44.676 45.100 0.403 0.000 0.782 439 G HN -0.013 nan 8.290 nan 0.000 0.482 440 I N -0.171 120.587 120.570 0.313 0.000 2.533 440 I HA 0.390 4.560 4.170 -0.000 0.000 0.290 440 I C -1.437 174.844 176.117 0.272 0.000 1.056 440 I CA -0.588 60.854 61.300 0.237 0.000 1.057 440 I CB 2.693 40.762 38.000 0.115 0.000 1.240 440 I HN 0.561 nan 8.210 nan 0.000 0.423 441 W N 9.102 130.447 121.300 0.075 0.000 2.294 441 W HA 0.608 5.268 4.660 -0.000 0.000 0.314 441 W C -0.917 175.664 176.519 0.104 0.000 1.044 441 W CA -1.838 55.531 57.345 0.040 0.000 1.284 441 W CB 0.746 30.220 29.460 0.024 0.000 1.231 441 W HN 0.318 nan 8.180 nan 0.000 0.419 442 I N 3.974 124.761 120.570 0.362 0.000 2.315 442 I HA 0.490 4.660 4.170 -0.000 0.000 0.291 442 I C -0.476 175.797 176.117 0.261 0.000 1.006 442 I CA -0.357 61.089 61.300 0.243 0.000 1.265 442 I CB 1.352 39.502 38.000 0.250 0.000 1.387 442 I HN 0.243 nan 8.210 nan 0.000 0.475 443 D N 5.674 126.137 120.400 0.105 0.000 2.493 443 D HA 0.516 5.155 4.640 -0.000 0.000 0.239 443 D C 0.390 176.786 176.300 0.160 0.000 1.049 443 D CA -0.309 53.791 54.000 0.166 0.000 1.008 443 D CB 1.364 42.111 40.800 -0.089 0.000 1.398 443 D HN 0.637 nan 8.370 nan 0.000 0.513 444 M N 0.629 120.332 119.600 0.171 0.000 2.682 444 M HA -0.221 4.259 4.480 -0.000 0.000 0.196 444 M C -0.180 176.174 176.300 0.090 0.000 0.542 444 M CA 0.482 55.859 55.300 0.128 0.000 0.593 444 M CB -2.899 29.762 32.600 0.101 0.000 2.183 444 M HN 0.566 nan 8.290 nan 0.000 0.663 445 N N -0.347 118.424 118.700 0.118 0.000 2.376 445 N HA 0.251 4.991 4.740 -0.000 0.000 0.249 445 N C 0.692 176.241 175.510 0.065 0.000 1.140 445 N CA -0.027 53.106 53.050 0.137 0.000 0.870 445 N CB 0.185 38.811 38.487 0.232 0.000 1.124 445 N HN 0.285 nan 8.380 nan 0.000 0.505 446 E N -0.120 120.067 120.200 -0.022 0.000 2.110 446 E HA -0.036 4.314 4.350 -0.000 0.000 0.193 446 E C 0.409 176.768 176.600 -0.402 0.000 0.988 446 E CA 0.531 56.861 56.400 -0.117 0.000 0.804 446 E CB 0.105 29.802 29.700 -0.005 0.000 0.745 446 E HN 0.279 nan 8.360 nan 0.000 0.458 447 V N 0.153 119.776 119.914 -0.485 0.000 2.567 447 V HA 0.285 4.405 4.120 -0.000 0.000 0.289 447 V C -0.219 175.729 176.094 -0.243 0.000 1.049 447 V CA -0.446 61.565 62.300 -0.482 0.000 0.969 447 V CB 1.774 32.940 31.823 -1.095 0.000 0.995 447 V HN 0.127 nan 8.190 nan 0.000 0.471 448 S N 5.395 121.018 115.700 -0.128 0.000 2.480 448 S HA 0.496 4.966 4.470 -0.000 0.000 0.286 448 S C -0.522 174.019 174.600 -0.097 0.000 1.180 448 S CA -0.584 57.593 58.200 -0.040 0.000 1.075 448 S CB 0.531 63.754 63.200 0.038 0.000 0.996 448 S HN 0.885 nan 8.310 nan 0.000 0.487 449 N N 3.412 122.088 118.700 -0.040 0.000 2.295 449 N HA 0.421 5.160 4.740 -0.000 0.000 0.293 449 N C -0.305 175.277 175.510 0.119 0.000 1.040 449 N CA -0.816 52.213 53.050 -0.036 0.000 0.840 449 N CB 0.715 39.179 38.487 -0.037 0.000 1.468 449 N HN 0.473 nan 8.380 nan 0.000 0.478 450 F N 0.687 120.606 119.950 -0.052 0.000 2.710 450 F HA 0.078 4.604 4.527 -0.000 0.000 0.298 450 F C 1.090 176.875 175.800 -0.026 0.000 1.137 450 F CA -0.027 57.929 58.000 -0.073 0.000 1.444 450 F CB -0.639 38.283 39.000 -0.130 0.000 1.111 450 F HN 0.264 nan 8.300 nan 0.000 0.580 451 V N -2.577 117.435 119.914 0.163 0.000 2.850 451 V HA 0.479 4.599 4.120 -0.000 0.000 0.315 451 V C -0.266 175.891 176.094 0.105 0.000 1.064 451 V CA -1.167 61.197 62.300 0.107 0.000 0.979 451 V CB 1.664 33.532 31.823 0.076 0.000 1.039 451 V HN -0.212 nan 8.190 nan 0.000 0.452 452 D N 2.159 122.628 120.400 0.114 0.000 2.336 452 D HA 0.517 5.157 4.640 -0.000 0.000 0.249 452 D C 1.074 177.504 176.300 0.218 0.000 1.213 452 D CA 1.554 55.674 54.000 0.200 0.000 0.870 452 D CB 0.768 41.712 40.800 0.239 0.000 1.076 452 D HN 1.252 nan 8.370 nan 0.000 0.483 453 G N 2.741 111.655 108.800 0.190 0.000 5.045 453 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.229 453 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.229 453 G C 0.374 175.271 174.900 -0.005 0.000 1.440 453 G CA 0.557 45.698 45.100 0.069 0.000 0.936 453 G HN 1.128 nan 8.290 nan 0.000 0.690 454 S N -1.855 113.842 115.700 -0.005 0.000 2.661 454 S HA 0.613 5.083 4.470 -0.000 0.000 0.268 454 S C 1.110 175.716 174.600 0.010 0.000 1.162 454 S CA 0.530 58.736 58.200 0.010 0.000 0.817 454 S CB 1.132 64.329 63.200 -0.005 0.000 1.141 454 S HN 1.877 nan 8.310 nan 0.000 0.477 455 V N -0.072 119.849 119.914 0.012 0.000 2.720 455 V HA 0.048 4.168 4.120 -0.000 0.000 0.256 455 V C 1.622 177.709 176.094 -0.012 0.000 1.082 455 V CA 1.932 64.232 62.300 0.001 0.000 1.101 455 V CB -1.456 30.361 31.823 -0.009 0.000 0.693 455 V HN 1.127 nan 8.190 nan 0.000 0.479 456 S N -0.497 115.190 115.700 -0.022 0.000 2.614 456 S HA 0.565 5.035 4.470 -0.000 0.000 0.230 456 S C 1.155 175.722 174.600 -0.055 0.000 0.952 456 S CA 0.290 58.471 58.200 -0.033 0.000 0.949 456 S CB -0.301 62.880 63.200 -0.032 0.000 0.786 456 S HN 1.667 nan 8.310 nan 0.000 0.478 457 G N 0.572 109.335 108.800 -0.062 0.000 2.598 457 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.244 457 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.244 457 G C -0.334 174.446 174.900 -0.201 0.000 1.302 457 G CA -0.325 44.706 45.100 -0.116 0.000 0.903 457 G HN 0.832 nan 8.290 nan 0.000 0.575 458 C N -0.372 118.724 119.300 -0.339 0.000 2.626 458 C HA 0.753 5.213 4.460 -0.000 0.000 0.310 458 C C 0.771 175.584 174.990 -0.295 0.000 1.191 458 C CA -0.038 58.729 59.018 -0.417 0.000 1.517 458 C CB 1.349 28.536 27.740 -0.922 0.000 2.102 458 C HN 0.972 nan 8.230 nan 0.000 0.479 459 S N 1.422 117.007 115.700 -0.192 0.000 2.579 459 S HA 0.208 4.678 4.470 -0.000 0.000 0.275 459 S C 0.269 174.802 174.600 -0.111 0.000 1.345 459 S CA -0.014 58.114 58.200 -0.120 0.000 1.031 459 S CB 0.384 63.538 63.200 -0.077 0.000 0.892 459 S HN 0.802 nan 8.310 nan 0.000 0.529 460 T N 4.361 118.881 114.554 -0.057 0.000 2.737 460 T HA 0.419 4.769 4.350 -0.000 0.000 0.296 460 T C 0.076 174.772 174.700 -0.008 0.000 0.922 460 T CA -0.435 61.658 62.100 -0.012 0.000 1.079 460 T CB -0.515 68.362 68.868 0.014 0.000 0.892 460 T HN 0.802 nan 8.240 nan 0.000 0.514 461 N N 1.565 120.267 118.700 0.003 0.000 3.116 461 N HA 0.187 4.927 4.740 -0.000 0.000 0.244 461 N C 0.434 175.947 175.510 0.005 0.000 1.485 461 N CA -1.037 52.011 53.050 -0.004 0.000 0.884 461 N CB 0.326 38.798 38.487 -0.025 0.000 1.415 461 N HN 0.245 nan 8.380 nan 0.000 0.524 462 N N -0.091 118.598 118.700 -0.018 0.000 2.520 462 N HA -0.087 4.653 4.740 -0.000 0.000 0.185 462 N C 0.613 176.069 175.510 -0.090 0.000 1.068 462 N CA 0.871 53.905 53.050 -0.027 0.000 0.911 462 N CB -0.076 38.388 38.487 -0.039 0.000 0.961 462 N HN 0.608 nan 8.380 nan 0.000 0.446 463 L N 0.269 121.419 121.223 -0.121 0.000 2.130 463 L HA 0.066 4.406 4.340 -0.000 0.000 0.200 463 L C 1.767 178.718 176.870 0.134 0.000 1.075 463 L CA 0.825 55.567 54.840 -0.163 0.000 0.768 463 L CB -0.575 41.385 42.059 -0.166 0.000 0.933 463 L HN 0.076 nan 8.230 nan 0.000 0.451 464 N N 0.074 118.842 118.700 0.113 0.000 2.244 464 N HA -0.078 4.662 4.740 -0.000 0.000 0.183 464 N C 0.108 175.811 175.510 0.323 0.000 1.016 464 N CA 0.700 53.880 53.050 0.216 0.000 0.866 464 N CB 0.168 38.655 38.487 -0.000 0.000 0.980 464 N HN 0.305 nan 8.380 nan 0.000 0.430 465 N N 0.808 119.626 118.700 0.197 0.000 2.791 465 N HA 0.202 4.942 4.740 -0.000 0.000 0.265 465 N C -2.852 172.724 175.510 0.109 0.000 1.580 465 N CA -0.770 52.384 53.050 0.174 0.000 0.809 465 N CB 1.583 40.170 38.487 0.167 0.000 1.178 465 N HN 0.149 nan 8.380 nan 0.000 0.499 466 P HA 0.247 nan 4.420 nan 0.000 0.274 466 P C -1.783 175.589 177.300 0.121 0.000 1.246 466 P CA -0.753 62.425 63.100 0.130 0.000 0.795 466 P CB 0.843 32.677 31.700 0.224 0.000 1.006 467 P HA -0.073 nan 4.420 nan 0.000 0.216 467 P C 0.144 177.621 177.300 0.295 0.000 1.153 467 P CA 1.478 64.735 63.100 0.263 0.000 0.858 467 P CB -0.041 31.869 31.700 0.351 0.000 0.789 468 F N -0.766 119.182 119.950 -0.004 0.000 2.540 468 F HA 0.484 5.010 4.527 -0.000 0.000 0.317 468 F C -0.878 174.867 175.800 -0.092 0.000 1.104 468 F CA -0.639 57.247 58.000 -0.190 0.000 0.913 468 F CB 1.602 40.294 39.000 -0.513 0.000 1.170 468 F HN -0.414 nan 8.300 nan 0.000 0.450 469 T N 7.045 121.033 114.554 -0.944 0.000 2.812 469 T HA 0.442 4.792 4.350 -0.000 0.000 0.282 469 T C -2.645 171.390 174.700 -1.108 0.000 0.990 469 T CA -1.276 60.377 62.100 -0.746 0.000 0.960 469 T CB 1.666 70.235 68.868 -0.499 0.000 0.948 469 T HN 0.292 nan 8.240 nan 0.000 0.438 470 P HA 0.172 nan 4.420 nan 0.000 0.271 470 P C 0.230 177.341 177.300 -0.315 0.000 1.244 470 P CA -0.674 62.203 63.100 -0.371 0.000 0.793 470 P CB 0.443 32.088 31.700 -0.092 0.000 0.984 471 R N 1.407 121.806 120.500 -0.168 0.000 4.624 471 R HA 0.168 4.508 4.340 -0.000 0.000 0.214 471 R C 0.458 176.699 176.300 -0.099 0.000 2.026 471 R CA -0.130 55.883 56.100 -0.145 0.000 1.676 471 R CB -1.448 28.788 30.300 -0.106 0.000 1.291 471 R HN 0.418 nan 8.270 nan 0.000 0.739 472 I N -1.897 118.604 120.570 -0.116 0.000 2.779 472 I HA 0.108 4.278 4.170 -0.000 0.000 0.285 472 I C 0.288 176.377 176.117 -0.046 0.000 1.134 472 I CA -1.017 60.256 61.300 -0.046 0.000 1.398 472 I CB 0.390 38.342 38.000 -0.080 0.000 1.404 472 I HN 0.072 nan 8.210 nan 0.000 0.587 473 L N 6.325 127.553 121.223 0.010 0.000 2.601 473 L HA -0.003 4.337 4.340 -0.000 0.000 0.277 473 L C 0.435 177.300 176.870 -0.009 0.000 1.219 473 L CA 1.255 56.099 54.840 0.007 0.000 0.915 473 L CB -0.708 41.373 42.059 0.036 0.000 1.160 473 L HN 0.876 nan 8.230 nan 0.000 0.494 474 D N 2.824 123.214 120.400 -0.017 0.000 2.792 474 D HA -0.229 4.411 4.640 -0.000 0.000 0.192 474 D C 1.112 177.394 176.300 -0.029 0.000 1.007 474 D CA 1.416 55.415 54.000 -0.002 0.000 1.020 474 D CB -1.323 39.489 40.800 0.020 0.000 1.089 474 D HN 1.277 nan 8.370 nan 0.000 0.438 475 G N -0.133 108.591 108.800 -0.127 0.000 2.162 475 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.260 475 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.260 475 G C -0.090 174.533 174.900 -0.461 0.000 0.976 475 G CA 0.850 45.784 45.100 -0.276 0.000 0.655 475 G HN 0.475 nan 8.290 nan 0.000 0.533 476 Y N -1.193 118.916 120.300 -0.317 0.000 2.442 476 Y HA 0.568 5.118 4.550 -0.000 0.000 0.344 476 Y C 1.453 177.051 175.900 -0.503 0.000 0.976 476 Y CA -0.987 56.824 58.100 -0.481 0.000 1.040 476 Y CB 1.451 39.416 38.460 -0.824 0.000 1.228 476 Y HN -0.070 nan 8.280 nan 0.000 0.451 477 L N 1.887 122.947 121.223 -0.272 0.000 2.046 477 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 477 L C 1.694 178.555 176.870 -0.015 0.000 1.077 477 L CA 1.696 56.377 54.840 -0.266 0.000 0.747 477 L CB -0.353 41.563 42.059 -0.239 0.000 0.896 477 L HN 0.744 nan 8.230 nan 0.000 0.432 478 F N -2.208 117.785 119.950 0.073 0.000 2.804 478 F HA 0.201 4.727 4.527 -0.000 0.000 0.303 478 F C 1.017 176.849 175.800 0.053 0.000 1.154 478 F CA -1.497 56.538 58.000 0.059 0.000 1.401 478 F CB -1.745 37.274 39.000 0.032 0.000 1.106 478 F HN -0.138 nan 8.300 nan 0.000 0.568 479 C N 4.462 123.619 119.300 -0.238 0.000 2.638 479 C HA 0.070 4.530 4.460 -0.000 0.000 0.410 479 C C 1.101 176.113 174.990 0.038 0.000 1.404 479 C CA -0.654 58.295 59.018 -0.115 0.000 1.651 479 C CB -0.904 26.752 27.740 -0.140 0.000 2.495 479 C HN 0.547 nan 8.230 nan 0.000 0.606 480 K N 1.279 121.721 120.400 0.071 0.000 3.069 480 K HA -0.189 4.131 4.320 -0.000 0.000 0.267 480 K C 0.098 176.747 176.600 0.082 0.000 1.082 480 K CA 1.358 57.703 56.287 0.096 0.000 0.782 480 K CB -1.836 30.728 32.500 0.106 0.000 1.230 480 K HN 0.934 nan 8.250 nan 0.000 0.488 481 T N -1.604 112.995 114.554 0.076 0.000 2.612 481 T HA 0.633 4.982 4.350 -0.000 0.000 0.296 481 T C -0.801 173.885 174.700 -0.023 0.000 1.148 481 T CA -0.796 61.316 62.100 0.019 0.000 1.077 481 T CB 0.944 69.891 68.868 0.132 0.000 1.591 481 T HN 0.099 nan 8.240 nan 0.000 0.479 482 L N 1.369 122.544 121.223 -0.081 0.000 2.439 482 L HA 0.422 4.761 4.340 -0.000 0.000 0.261 482 L C 0.550 177.445 176.870 0.043 0.000 1.153 482 L CA -1.009 53.766 54.840 -0.108 0.000 0.808 482 L CB 0.535 42.462 42.059 -0.222 0.000 1.126 482 L HN 0.710 nan 8.230 nan 0.000 0.460 483 C N 2.259 121.563 119.300 0.006 0.000 2.597 483 C HA -0.049 4.410 4.460 -0.000 0.000 0.412 483 C C 2.022 177.057 174.990 0.076 0.000 1.348 483 C CA -0.480 58.544 59.018 0.009 0.000 1.769 483 C CB 0.122 27.828 27.740 -0.057 0.000 2.641 483 C HN 0.746 nan 8.230 nan 0.000 0.612 484 M N 2.512 122.188 119.600 0.127 0.000 2.476 484 M HA -0.041 4.439 4.480 -0.000 0.000 0.262 484 M C 1.470 177.853 176.300 0.137 0.000 1.079 484 M CA 1.385 56.801 55.300 0.192 0.000 1.104 484 M CB -0.944 31.832 32.600 0.293 0.000 1.409 484 M HN 0.824 nan 8.290 nan 0.000 0.467 485 D N -0.511 119.926 120.400 0.061 0.000 2.349 485 D HA 0.230 4.870 4.640 -0.000 0.000 0.214 485 D C 0.565 176.885 176.300 0.032 0.000 1.063 485 D CA -0.075 53.944 54.000 0.031 0.000 0.847 485 D CB -0.443 40.354 40.800 -0.005 0.000 0.933 485 D HN 0.071 nan 8.370 nan 0.000 0.513 486 A N 0.246 123.090 122.820 0.039 0.000 2.507 486 A HA 0.412 4.732 4.320 -0.000 0.000 0.235 486 A C 0.057 177.677 177.584 0.060 0.000 1.070 486 A CA -0.169 51.894 52.037 0.042 0.000 0.768 486 A CB 0.461 19.480 19.000 0.032 0.000 1.011 486 A HN 0.119 nan 8.150 nan 0.000 0.502 487 V N 2.605 122.557 119.914 0.063 0.000 2.588 487 V HA 0.468 4.587 4.120 -0.000 0.000 0.304 487 V C -0.018 176.122 176.094 0.078 0.000 1.042 487 V CA -0.454 61.888 62.300 0.070 0.000 0.877 487 V CB 1.302 33.162 31.823 0.061 0.000 0.996 487 V HN 1.042 nan 8.190 nan 0.000 0.425 488 Q N 0.929 120.781 119.800 0.088 0.000 2.496 488 Q HA 0.413 4.753 4.340 -0.000 0.000 0.286 488 Q C 0.838 176.908 176.000 0.117 0.000 1.103 488 Q CA -0.858 54.993 55.803 0.079 0.000 0.813 488 Q CB 2.166 30.938 28.738 0.056 0.000 1.444 488 Q HN 0.856 nan 8.270 nan 0.000 0.443 489 H N 0.322 119.383 119.070 -0.015 0.000 2.353 489 H HA -0.166 4.390 4.556 -0.000 0.000 0.298 489 H C 0.664 176.123 175.328 0.219 0.000 1.103 489 H CA 1.933 58.003 56.048 0.036 0.000 1.293 489 H CB 0.376 30.106 29.762 -0.053 0.000 1.372 489 H HN 0.630 nan 8.280 nan 0.000 0.501 490 W N 0.844 122.105 121.300 -0.066 0.000 2.678 490 W HA 0.253 4.913 4.660 -0.000 0.000 0.256 490 W C 1.268 177.841 176.519 0.089 0.000 1.280 490 W CA 1.344 58.670 57.345 -0.032 0.000 1.345 490 W CB -0.238 29.272 29.460 0.083 0.000 1.118 490 W HN 0.466 nan 8.180 nan 0.000 0.629 491 G N -0.690 108.271 108.800 0.269 0.000 2.339 491 G HA2 0.002 3.962 3.960 -0.000 0.000 0.275 491 G HA3 0.002 3.962 3.960 -0.000 0.000 0.275 491 G C -0.960 173.998 174.900 0.098 0.000 1.323 491 G CA -1.161 44.041 45.100 0.170 0.000 0.927 491 G HN -0.182 nan 8.290 nan 0.000 0.486 492 K N 0.041 120.468 120.400 0.044 0.000 2.237 492 K HA 0.290 4.610 4.320 -0.000 0.000 0.270 492 K C 1.291 177.930 176.600 0.064 0.000 1.015 492 K CA -0.282 56.039 56.287 0.056 0.000 0.949 492 K CB 1.541 34.072 32.500 0.051 0.000 0.976 492 K HN 0.529 nan 8.250 nan 0.000 0.472 493 Q N 1.716 121.581 119.800 0.109 0.000 2.173 493 Q HA -0.273 4.067 4.340 -0.000 0.000 0.208 493 Q C 1.562 177.672 176.000 0.184 0.000 0.989 493 Q CA 1.871 57.764 55.803 0.149 0.000 0.872 493 Q CB -0.386 28.442 28.738 0.150 0.000 0.909 493 Q HN 0.686 nan 8.270 nan 0.000 0.420 494 Y N 0.405 120.730 120.300 0.041 0.000 2.193 494 Y HA -0.272 4.277 4.550 -0.000 0.000 0.285 494 Y C 1.392 177.279 175.900 -0.023 0.000 1.166 494 Y CA 2.263 60.386 58.100 0.039 0.000 1.181 494 Y CB 0.006 38.468 38.460 0.004 0.000 0.976 494 Y HN 0.250 nan 8.280 nan 0.000 0.520 495 D N -0.356 120.012 120.400 -0.055 0.000 2.277 495 D HA -0.001 4.639 4.640 -0.000 0.000 0.209 495 D C 1.726 177.781 176.300 -0.408 0.000 0.970 495 D CA 1.553 55.265 54.000 -0.480 0.000 0.874 495 D CB 0.051 40.083 40.800 -1.280 0.000 0.982 495 D HN 0.655 nan 8.370 nan 0.000 0.504 496 I N -2.456 118.019 120.570 -0.158 0.000 4.082 496 I HA 0.154 4.324 4.170 -0.000 0.000 0.337 496 I C 1.931 178.110 176.117 0.104 0.000 1.352 496 I CA -0.259 61.059 61.300 0.030 0.000 1.097 496 I CB -0.061 38.048 38.000 0.182 0.000 1.048 496 I HN -0.130 nan 8.210 nan 0.000 0.393 497 H N 3.006 122.085 119.070 0.014 0.000 2.321 497 H HA -0.246 4.310 4.556 -0.000 0.000 0.295 497 H C 1.134 176.431 175.328 -0.052 0.000 1.102 497 H CA 2.637 58.671 56.048 -0.022 0.000 1.266 497 H CB -0.116 29.597 29.762 -0.083 0.000 1.363 497 H HN 0.568 nan 8.280 nan 0.000 0.492 498 N N -0.018 118.653 118.700 -0.049 0.000 2.573 498 N HA -0.039 4.700 4.740 -0.000 0.000 0.187 498 N C 1.252 176.736 175.510 -0.044 0.000 1.107 498 N CA 0.074 53.097 53.050 -0.046 0.000 0.918 498 N CB 0.201 38.780 38.487 0.153 0.000 0.966 498 N HN 0.360 nan 8.380 nan 0.000 0.448 499 L N -0.999 120.189 121.223 -0.058 0.000 2.693 499 L HA 0.090 4.430 4.340 -0.000 0.000 0.235 499 L C 1.371 178.336 176.870 0.158 0.000 1.127 499 L CA -0.126 54.735 54.840 0.034 0.000 0.914 499 L CB -0.081 42.054 42.059 0.125 0.000 1.193 499 L HN 0.206 nan 8.230 nan 0.000 0.502 500 Y N 1.446 121.729 120.300 -0.028 0.000 2.133 500 Y HA -0.154 4.396 4.550 -0.000 0.000 0.287 500 Y C 2.351 178.240 175.900 -0.018 0.000 1.134 500 Y CA 1.967 60.047 58.100 -0.034 0.000 1.133 500 Y CB -0.113 38.283 38.460 -0.107 0.000 0.987 500 Y HN 0.107 nan 8.280 nan 0.000 0.502 501 G N -1.287 107.649 108.800 0.227 0.000 2.408 501 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.217 501 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.217 501 G C 1.498 176.442 174.900 0.075 0.000 1.150 501 G CA 0.919 46.109 45.100 0.151 0.000 0.776 501 G HN 0.577 nan 8.290 nan 0.000 0.542 502 Y N 2.926 123.239 120.300 0.022 0.000 2.097 502 Y HA -0.256 4.294 4.550 -0.000 0.000 0.282 502 Y C 3.122 178.945 175.900 -0.129 0.000 1.152 502 Y CA 2.146 60.263 58.100 0.028 0.000 1.136 502 Y CB -0.498 38.045 38.460 0.139 0.000 0.975 502 Y HN 0.305 nan 8.280 nan 0.000 0.498 503 S N -0.130 115.443 115.700 -0.212 0.000 2.383 503 S HA -0.270 4.199 4.470 -0.000 0.000 0.227 503 S C 2.205 176.464 174.600 -0.567 0.000 1.026 503 S CA 1.336 59.262 58.200 -0.456 0.000 0.981 503 S CB -0.829 62.064 63.200 -0.512 0.000 0.818 503 S HN 0.663 nan 8.310 nan 0.000 0.472 504 M N 1.540 120.757 119.600 -0.639 0.000 2.117 504 M HA -0.040 4.440 4.480 -0.000 0.000 0.262 504 M C 2.366 178.329 176.300 -0.561 0.000 1.065 504 M CA 1.670 56.387 55.300 -0.971 0.000 1.114 504 M CB -0.547 31.535 32.600 -0.862 0.000 1.361 504 M HN 0.537 nan 8.290 nan 0.000 0.408 505 A N -0.488 122.104 122.820 -0.379 0.000 1.898 505 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 505 A C 2.006 179.290 177.584 -0.499 0.000 1.181 505 A CA 1.722 53.588 52.037 -0.285 0.000 0.620 505 A CB -1.064 17.853 19.000 -0.138 0.000 0.819 505 A HN 0.398 nan 8.150 nan 0.000 0.442 506 V N 0.066 119.461 119.914 -0.864 0.000 2.255 506 V HA -0.305 3.815 4.120 -0.000 0.000 0.247 506 V C 3.073 178.891 176.094 -0.460 0.000 1.051 506 V CA 2.146 63.819 62.300 -1.045 0.000 1.018 506 V CB -1.405 29.821 31.823 -0.995 0.000 0.641 506 V HN 0.619 nan 8.190 nan 0.000 0.445 507 A N -0.297 122.324 122.820 -0.332 0.000 1.908 507 A HA -0.242 4.077 4.320 -0.000 0.000 0.218 507 A C 2.390 180.052 177.584 0.130 0.000 1.181 507 A CA 2.617 54.605 52.037 -0.082 0.000 0.627 507 A CB -1.024 17.913 19.000 -0.105 0.000 0.818 507 A HN 0.527 nan 8.150 nan 0.000 0.445 508 T N 0.192 114.808 114.554 0.103 0.000 2.821 508 T HA 0.035 4.385 4.350 -0.000 0.000 0.267 508 T C 2.212 176.944 174.700 0.053 0.000 1.046 508 T CA 1.401 63.641 62.100 0.232 0.000 1.139 508 T CB -0.419 68.585 68.868 0.228 0.000 0.871 508 T HN 0.599 nan 8.240 nan 0.000 0.454 509 A N 1.465 124.288 122.820 0.005 0.000 1.933 509 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 509 A C 2.210 179.827 177.584 0.055 0.000 1.175 509 A CA 1.952 54.020 52.037 0.052 0.000 0.628 509 A CB -0.574 18.513 19.000 0.144 0.000 0.814 509 A HN 0.448 nan 8.150 nan 0.000 0.444 510 E N 0.271 120.490 120.200 0.032 0.000 2.051 510 E HA -0.072 4.277 4.350 -0.000 0.000 0.192 510 E C 2.058 178.690 176.600 0.053 0.000 0.991 510 E CA 1.593 58.022 56.400 0.049 0.000 0.799 510 E CB -0.519 29.206 29.700 0.042 0.000 0.748 510 E HN 0.467 nan 8.360 nan 0.000 0.449 511 A N 0.789 123.652 122.820 0.071 0.000 1.917 511 A HA -0.148 4.171 4.320 -0.000 0.000 0.219 511 A C 2.422 179.967 177.584 -0.065 0.000 1.182 511 A CA 2.252 54.289 52.037 0.001 0.000 0.633 511 A CB -1.062 17.896 19.000 -0.070 0.000 0.819 511 A HN 0.387 nan 8.150 nan 0.000 0.448 512 A N -0.429 122.384 122.820 -0.012 0.000 2.067 512 A HA -0.110 4.209 4.320 -0.000 0.000 0.219 512 A C 2.001 179.633 177.584 0.079 0.000 1.158 512 A CA 1.602 53.702 52.037 0.105 0.000 0.661 512 A CB -0.382 18.737 19.000 0.199 0.000 0.801 512 A HN 0.598 nan 8.150 nan 0.000 0.452 513 K N -0.874 119.548 120.400 0.038 0.000 2.147 513 K HA -0.081 4.239 4.320 -0.000 0.000 0.205 513 K C 1.814 178.405 176.600 -0.015 0.000 1.049 513 K CA 1.727 58.031 56.287 0.027 0.000 0.936 513 K CB -0.213 32.305 32.500 0.029 0.000 0.722 513 K HN 0.452 nan 8.250 nan 0.000 0.446 514 T N 0.406 114.926 114.554 -0.056 0.000 2.939 514 T HA -0.022 4.328 4.350 -0.000 0.000 0.254 514 T C 2.002 176.577 174.700 -0.208 0.000 1.041 514 T CA 0.688 62.727 62.100 -0.101 0.000 1.142 514 T CB 0.100 68.916 68.868 -0.087 0.000 0.874 514 T HN -0.081 nan 8.240 nan 0.000 0.452 515 V N 0.312 120.028 119.914 -0.330 0.000 2.591 515 V HA 0.100 4.220 4.120 -0.000 0.000 0.249 515 V C 0.419 175.944 176.094 -0.948 0.000 1.053 515 V CA 1.127 62.992 62.300 -0.724 0.000 1.068 515 V CB -0.468 30.820 31.823 -0.893 0.000 0.689 515 V HN 0.388 nan 8.190 nan 0.000 0.462 516 F N 1.408 121.235 119.950 -0.205 0.000 2.531 516 F HA 0.437 4.963 4.527 -0.000 0.000 0.333 516 F C -2.522 173.224 175.800 -0.091 0.000 1.292 516 F CA -3.172 54.732 58.000 -0.159 0.000 1.184 516 F CB 0.377 39.313 39.000 -0.107 0.000 1.426 516 F HN 0.030 nan 8.300 nan 0.000 0.559 517 P HA 0.076 nan 4.420 nan 0.000 0.267 517 P C 0.138 177.462 177.300 0.039 0.000 1.205 517 P CA 0.463 63.574 63.100 0.018 0.000 0.765 517 P CB 0.689 32.379 31.700 -0.017 0.000 0.828 518 N N -0.534 118.190 118.700 0.040 0.000 2.909 518 N HA -0.129 4.611 4.740 -0.000 0.000 0.242 518 N C -0.208 175.323 175.510 0.034 0.000 0.975 518 N CA 1.245 54.315 53.050 0.034 0.000 0.921 518 N CB -0.936 37.565 38.487 0.024 0.000 1.112 518 N HN 0.521 nan 8.380 nan 0.000 0.581 519 K N 0.636 121.069 120.400 0.055 0.000 2.208 519 K HA 0.394 4.713 4.320 -0.000 0.000 0.247 519 K C 1.315 177.920 176.600 0.009 0.000 0.953 519 K CA -0.615 55.694 56.287 0.037 0.000 0.837 519 K CB 1.336 33.874 32.500 0.063 0.000 1.131 519 K HN 0.065 nan 8.250 nan 0.000 0.431 520 R N 0.481 120.958 120.500 -0.039 0.000 2.115 520 R HA -0.055 4.284 4.340 -0.000 0.000 0.226 520 R C 1.044 177.280 176.300 -0.106 0.000 1.100 520 R CA 0.790 56.842 56.100 -0.081 0.000 0.980 520 R CB -0.086 30.131 30.300 -0.138 0.000 0.875 520 R HN 0.874 nan 8.270 nan 0.000 0.445 521 S N -0.374 115.246 115.700 -0.134 0.000 3.469 521 S HA -0.312 4.157 4.470 -0.000 0.000 0.628 521 S C -0.517 174.043 174.600 -0.067 0.000 2.687 521 S CA 1.204 59.284 58.200 -0.199 0.000 3.829 521 S CB -0.741 62.137 63.200 -0.536 0.000 0.258 521 S HN 0.348 nan 8.310 nan 0.000 1.222 522 F N 0.521 120.361 119.950 -0.183 0.000 2.639 522 F HA 0.710 5.237 4.527 -0.000 0.000 0.326 522 F C -1.275 174.489 175.800 -0.060 0.000 1.150 522 F CA -0.670 57.218 58.000 -0.186 0.000 1.057 522 F CB 0.739 39.615 39.000 -0.206 0.000 1.300 522 F HN 0.569 nan 8.300 nan 0.000 0.486 523 I N 6.772 126.935 120.570 -0.677 0.000 2.465 523 I HA 0.494 4.663 4.170 -0.000 0.000 0.291 523 I C -1.534 174.072 176.117 -0.852 0.000 1.014 523 I CA -1.034 59.955 61.300 -0.519 0.000 1.093 523 I CB 1.969 39.852 38.000 -0.196 0.000 1.267 523 I HN 0.550 nan 8.210 nan 0.000 0.431 524 L N 6.115 126.980 121.223 -0.597 0.000 2.333 524 L HA 0.694 5.034 4.340 -0.000 0.000 0.280 524 L C -0.438 176.481 176.870 0.083 0.000 1.004 524 L CA 0.266 54.848 54.840 -0.429 0.000 0.820 524 L CB 1.889 43.671 42.059 -0.462 0.000 1.247 524 L HN 0.621 nan 8.230 nan 0.000 0.416 525 T N 3.479 118.145 114.554 0.188 0.000 2.907 525 T HA 0.443 4.792 4.350 -0.000 0.000 0.292 525 T C 0.658 175.614 174.700 0.427 0.000 1.043 525 T CA -0.432 61.868 62.100 0.335 0.000 1.003 525 T CB 1.679 70.661 68.868 0.191 0.000 1.084 525 T HN 0.836 nan 8.240 nan 0.000 0.483 526 R N 1.748 122.442 120.500 0.324 0.000 2.055 526 R HA 0.238 4.577 4.340 -0.000 0.000 0.221 526 R C 0.870 177.200 176.300 0.050 0.000 1.154 526 R CA 0.451 56.469 56.100 -0.138 0.000 0.975 526 R CB -0.313 29.784 30.300 -0.339 0.000 0.869 526 R HN 0.552 nan 8.270 nan 0.000 0.437 527 S N 0.210 115.972 115.700 0.103 0.000 2.565 527 S HA 0.221 4.691 4.470 -0.000 0.000 0.274 527 S C -0.486 174.191 174.600 0.128 0.000 1.309 527 S CA -0.422 57.856 58.200 0.130 0.000 1.043 527 S CB 1.066 64.341 63.200 0.124 0.000 0.939 527 S HN 0.416 nan 8.310 nan 0.000 0.504 528 T N 1.993 116.616 114.554 0.114 0.000 2.906 528 T HA 0.740 5.090 4.350 -0.000 0.000 0.295 528 T C -1.024 173.820 174.700 0.240 0.000 1.075 528 T CA -0.686 61.511 62.100 0.161 0.000 1.005 528 T CB 1.278 70.194 68.868 0.079 0.000 1.136 528 T HN 0.509 nan 8.240 nan 0.000 0.498 529 F N 0.833 120.845 119.950 0.104 0.000 2.640 529 F HA 0.745 5.272 4.527 -0.000 0.000 0.324 529 F C -0.016 175.787 175.800 0.006 0.000 1.077 529 F CA -1.085 56.917 58.000 0.004 0.000 0.965 529 F CB 1.457 40.387 39.000 -0.117 0.000 1.351 529 F HN 1.021 nan 8.300 nan 0.000 0.487 530 A N 1.713 124.110 122.820 -0.705 0.000 2.573 530 A HA 0.396 4.716 4.320 -0.000 0.000 0.250 530 A C 1.072 178.662 177.584 0.010 0.000 1.049 530 A CA 1.196 53.003 52.037 -0.384 0.000 0.767 530 A CB -1.362 17.337 19.000 -0.502 0.000 0.965 530 A HN 2.029 nan 8.150 nan 0.000 0.514 531 G N 1.690 110.492 108.800 0.004 0.000 2.213 531 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.226 531 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.226 531 G C 1.323 176.414 174.900 0.318 0.000 0.992 531 G CA 0.688 45.893 45.100 0.176 0.000 0.632 531 G HN 1.041 nan 8.290 nan 0.000 0.511 532 S N 0.538 116.465 115.700 0.378 0.000 2.419 532 S HA 0.020 4.490 4.470 -0.000 0.000 0.235 532 S C 2.450 177.201 174.600 0.250 0.000 1.019 532 S CA 1.847 60.313 58.200 0.444 0.000 0.982 532 S CB -0.470 62.948 63.200 0.363 0.000 0.789 532 S HN 1.310 nan 8.310 nan 0.000 0.490 533 G N 1.327 110.198 108.800 0.117 0.000 2.498 533 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.219 533 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.219 533 G C 1.212 176.046 174.900 -0.110 0.000 1.119 533 G CA 0.674 45.791 45.100 0.029 0.000 0.766 533 G HN 0.485 nan 8.290 nan 0.000 0.552 534 K N -0.585 119.653 120.400 -0.271 0.000 2.283 534 K HA 0.022 4.342 4.320 -0.000 0.000 0.202 534 K C 1.265 177.429 176.600 -0.728 0.000 1.048 534 K CA 0.803 56.732 56.287 -0.596 0.000 0.948 534 K CB -0.110 31.866 32.500 -0.874 0.000 0.742 534 K HN 0.406 nan 8.250 nan 0.000 0.458 535 F N -0.653 119.269 119.950 -0.048 0.000 2.711 535 F HA 0.376 4.903 4.527 -0.000 0.000 0.296 535 F C 0.418 176.151 175.800 -0.111 0.000 1.096 535 F CA -0.341 57.613 58.000 -0.076 0.000 1.280 535 F CB 0.819 39.766 39.000 -0.087 0.000 1.060 535 F HN -0.099 nan 8.300 nan 0.000 0.608 536 A N 0.115 122.965 122.820 0.050 0.000 2.574 536 A HA 0.818 5.137 4.320 -0.000 0.000 0.297 536 A C -0.670 176.850 177.584 -0.106 0.000 1.062 536 A CA -0.470 51.526 52.037 -0.070 0.000 0.686 536 A CB 0.484 19.486 19.000 0.005 0.000 1.285 536 A HN 0.135 nan 8.150 nan 0.000 0.403 537 A N 0.492 123.147 122.820 -0.276 0.000 2.327 537 A HA 0.615 4.935 4.320 -0.000 0.000 0.255 537 A C -0.067 177.436 177.584 -0.136 0.000 1.099 537 A CA 0.324 52.213 52.037 -0.248 0.000 0.801 537 A CB 0.058 18.763 19.000 -0.492 0.000 1.062 537 A HN 1.604 nan 8.150 nan 0.000 0.496 538 H N -1.391 117.548 119.070 -0.218 0.000 2.768 538 H HA 0.555 5.111 4.556 -0.000 0.000 0.371 538 H C -1.244 174.028 175.328 -0.093 0.000 1.151 538 H CA -0.822 55.120 56.048 -0.177 0.000 1.165 538 H CB 1.081 30.640 29.762 -0.339 0.000 1.722 538 H HN 0.853 nan 8.280 nan 0.000 0.543 539 W N 5.720 126.448 121.300 -0.954 0.000 2.781 539 W HA 0.435 5.095 4.660 -0.000 0.000 0.345 539 W C -0.896 175.071 176.519 -0.919 0.000 1.085 539 W CA -1.158 55.777 57.345 -0.684 0.000 1.198 539 W CB 0.988 30.280 29.460 -0.281 0.000 1.423 539 W HN 0.520 nan 8.180 nan 0.000 0.532 540 L N 4.172 125.039 121.223 -0.593 0.000 2.622 540 L HA 0.262 4.601 4.340 -0.000 0.000 0.233 540 L C 1.267 177.899 176.870 -0.396 0.000 1.156 540 L CA 1.054 55.636 54.840 -0.430 0.000 0.866 540 L CB -1.256 40.756 42.059 -0.079 0.000 0.980 540 L HN 1.022 nan 8.230 nan 0.000 0.448 541 G N 0.056 108.299 108.800 -0.929 0.000 2.472 541 G HA2 -0.209 3.750 3.960 -0.000 0.000 0.205 541 G HA3 -0.209 3.750 3.960 -0.000 0.000 0.205 541 G C -0.931 173.940 174.900 -0.048 0.000 1.270 541 G CA -0.571 44.099 45.100 -0.717 0.000 0.974 541 G HN 0.126 nan 8.290 nan 0.000 0.542 542 D N 2.482 122.903 120.400 0.036 0.000 2.558 542 D HA 0.314 4.954 4.640 -0.000 0.000 0.221 542 D C 1.158 177.614 176.300 0.261 0.000 1.143 542 D CA -0.033 53.949 54.000 -0.029 0.000 1.010 542 D CB -0.287 40.501 40.800 -0.021 0.000 1.068 542 D HN 0.620 nan 8.370 nan 0.000 0.511 543 N N -0.056 118.826 118.700 0.303 0.000 2.381 543 N HA 0.265 5.004 4.740 -0.000 0.000 0.289 543 N C -0.142 175.584 175.510 0.361 0.000 1.288 543 N CA -0.272 52.987 53.050 0.348 0.000 0.960 543 N CB 0.278 38.990 38.487 0.374 0.000 1.116 543 N HN -0.103 nan 8.380 nan 0.000 0.557 544 T N -1.433 113.311 114.554 0.316 0.000 2.900 544 T HA 0.655 5.005 4.350 -0.000 0.000 0.295 544 T C -0.592 174.240 174.700 0.221 0.000 1.044 544 T CA -0.594 61.635 62.100 0.214 0.000 0.995 544 T CB 1.525 70.506 68.868 0.189 0.000 1.072 544 T HN 0.702 nan 8.240 nan 0.000 0.473 545 A N 2.790 125.672 122.820 0.104 0.000 3.026 545 A HA 0.515 4.835 4.320 -0.000 0.000 0.272 545 A C 0.819 178.455 177.584 0.087 0.000 1.782 545 A CA -0.300 51.822 52.037 0.140 0.000 1.451 545 A CB -1.207 17.799 19.000 0.010 0.000 1.081 545 A HN 0.819 nan 8.150 nan 0.000 0.611 546 T N -4.210 110.390 114.554 0.077 0.000 2.916 546 T HA 0.450 4.800 4.350 -0.000 0.000 0.292 546 T C 0.400 174.971 174.700 -0.216 0.000 1.064 546 T CA -0.670 61.412 62.100 -0.031 0.000 1.011 546 T CB 0.750 69.615 68.868 -0.004 0.000 1.152 546 T HN 0.420 nan 8.240 nan 0.000 0.510 547 W N 0.359 121.553 121.300 -0.176 0.000 2.402 547 W HA 0.076 4.736 4.660 -0.000 0.000 0.286 547 W C 1.824 178.091 176.519 -0.421 0.000 1.221 547 W CA 0.770 57.952 57.345 -0.271 0.000 1.257 547 W CB -0.260 29.092 29.460 -0.180 0.000 1.120 547 W HN 0.739 nan 8.180 nan 0.000 0.551 548 D N 0.204 120.415 120.400 -0.316 0.000 2.117 548 D HA -0.164 4.476 4.640 -0.000 0.000 0.197 548 D C 1.323 176.891 176.300 -1.220 0.000 0.987 548 D CA 1.635 55.103 54.000 -0.886 0.000 0.829 548 D CB -0.477 39.662 40.800 -1.102 0.000 0.961 548 D HN 0.139 nan 8.370 nan 0.000 0.460 549 D N -0.247 119.745 120.400 -0.680 0.000 2.144 549 D HA -0.115 4.525 4.640 -0.000 0.000 0.199 549 D C 1.929 178.043 176.300 -0.310 0.000 0.984 549 D CA 0.285 54.142 54.000 -0.238 0.000 0.834 549 D CB -0.077 40.825 40.800 0.169 0.000 0.955 549 D HN 0.078 nan 8.370 nan 0.000 0.465 550 L N 0.958 121.698 121.223 -0.805 0.000 1.994 550 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 550 L C 1.931 178.547 176.870 -0.424 0.000 1.071 550 L CA 1.767 55.929 54.840 -1.130 0.000 0.745 550 L CB -0.329 40.941 42.059 -1.316 0.000 0.892 550 L HN -0.123 nan 8.230 nan 0.000 0.431 551 R N -1.372 118.944 120.500 -0.306 0.000 2.091 551 R HA -0.216 4.124 4.340 -0.000 0.000 0.238 551 R C 2.030 178.435 176.300 0.176 0.000 1.136 551 R CA 1.918 57.975 56.100 -0.072 0.000 0.959 551 R CB -0.593 29.658 30.300 -0.081 0.000 0.856 551 R HN 0.473 nan 8.270 nan 0.000 0.437 552 W N 0.707 122.059 121.300 0.087 0.000 2.595 552 W HA -0.025 4.635 4.660 -0.000 0.000 0.257 552 W C 2.441 179.039 176.519 0.132 0.000 1.267 552 W CA 0.899 58.320 57.345 0.127 0.000 1.300 552 W CB -0.962 28.574 29.460 0.127 0.000 1.120 552 W HN 0.195 nan 8.180 nan 0.000 0.618 553 S N 0.271 116.172 115.700 0.335 0.000 2.382 553 S HA -0.199 4.271 4.470 -0.000 0.000 0.228 553 S C 1.811 176.542 174.600 0.217 0.000 1.027 553 S CA 1.327 59.692 58.200 0.274 0.000 0.991 553 S CB -0.819 62.581 63.200 0.334 0.000 0.823 553 S HN 0.232 nan 8.310 nan 0.000 0.469 554 I N 2.509 123.205 120.570 0.209 0.000 2.142 554 I HA -0.070 4.100 4.170 -0.000 0.000 0.240 554 I C -0.683 175.467 176.117 0.055 0.000 1.078 554 I CA 1.137 62.490 61.300 0.088 0.000 1.343 554 I CB -1.520 36.523 38.000 0.072 0.000 1.046 554 I HN 0.268 nan 8.210 nan 0.000 0.405 555 P HA -0.131 nan 4.420 nan 0.000 0.218 555 P C 1.608 179.008 177.300 0.167 0.000 1.148 555 P CA 1.698 64.906 63.100 0.179 0.000 0.822 555 P CB -0.243 31.606 31.700 0.249 0.000 0.784 556 G N -0.299 108.609 108.800 0.181 0.000 2.421 556 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.216 556 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.216 556 G C 1.635 176.694 174.900 0.265 0.000 1.171 556 G CA 0.699 45.941 45.100 0.236 0.000 0.775 556 G HN 0.150 nan 8.290 nan 0.000 0.543 557 V N 1.009 120.999 119.914 0.127 0.000 2.343 557 V HA -0.121 3.999 4.120 -0.000 0.000 0.247 557 V C 2.932 179.046 176.094 0.034 0.000 1.051 557 V CA 1.476 63.827 62.300 0.085 0.000 1.036 557 V CB -0.428 31.390 31.823 -0.008 0.000 0.654 557 V HN 0.344 nan 8.190 nan 0.000 0.451 558 L N -0.457 120.710 121.223 -0.092 0.000 2.046 558 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 558 L C 2.536 179.323 176.870 -0.138 0.000 1.077 558 L CA 1.701 56.405 54.840 -0.226 0.000 0.747 558 L CB -0.629 41.043 42.059 -0.644 0.000 0.896 558 L HN 0.362 nan 8.230 nan 0.000 0.432 559 E N -0.280 119.892 120.200 -0.047 0.000 2.072 559 E HA -0.191 4.159 4.350 -0.000 0.000 0.191 559 E C 2.042 178.132 176.600 -0.851 0.000 0.985 559 E CA 1.253 57.434 56.400 -0.365 0.000 0.801 559 E CB -0.090 29.498 29.700 -0.187 0.000 0.750 559 E HN 0.318 nan 8.360 nan 0.000 0.452 560 F N 1.151 120.978 119.950 -0.206 0.000 2.293 560 F HA -0.086 4.440 4.527 -0.000 0.000 0.300 560 F C 2.019 177.802 175.800 -0.027 0.000 1.086 560 F CA 0.759 58.769 58.000 0.018 0.000 1.375 560 F CB -0.064 39.057 39.000 0.202 0.000 1.045 560 F HN 0.049 nan 8.300 nan 0.000 0.516 561 N N 0.351 119.066 118.700 0.024 0.000 2.188 561 N HA -0.119 4.621 4.740 -0.000 0.000 0.184 561 N C 1.986 177.456 175.510 -0.066 0.000 1.018 561 N CA 0.974 54.014 53.050 -0.018 0.000 0.858 561 N CB -0.232 38.223 38.487 -0.053 0.000 0.989 561 N HN 0.299 nan 8.380 nan 0.000 0.426 562 L N 0.121 121.240 121.223 -0.173 0.000 2.079 562 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 562 L C 1.474 178.352 176.870 0.014 0.000 1.081 562 L CA 1.034 55.825 54.840 -0.082 0.000 0.752 562 L CB -0.457 41.528 42.059 -0.123 0.000 0.896 562 L HN 0.088 nan 8.230 nan 0.000 0.433 563 F N 0.138 120.100 119.950 0.019 0.000 2.802 563 F HA 0.193 4.720 4.527 -0.000 0.000 0.300 563 F C 1.858 177.657 175.800 -0.001 0.000 1.168 563 F CA 0.302 58.298 58.000 -0.005 0.000 1.433 563 F CB -1.087 37.810 39.000 -0.172 0.000 1.115 563 F HN 0.193 nan 8.300 nan 0.000 0.582 564 G N 0.939 109.811 108.800 0.120 0.000 2.137 564 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.237 564 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.237 564 G C 0.259 175.200 174.900 0.069 0.000 1.002 564 G CA 0.064 45.165 45.100 0.002 0.000 0.702 564 G HN 0.388 nan 8.290 nan 0.000 0.515 565 I N 1.079 121.764 120.570 0.191 0.000 2.692 565 I HA 0.202 4.372 4.170 -0.000 0.000 0.285 565 I C -1.107 175.150 176.117 0.234 0.000 1.191 565 I CA -2.079 59.366 61.300 0.241 0.000 1.128 565 I CB 1.246 39.497 38.000 0.418 0.000 1.585 565 I HN -0.088 nan 8.210 nan 0.000 0.558 566 P HA -0.120 nan 4.420 nan 0.000 0.222 566 P C 0.807 178.267 177.300 0.266 0.000 1.153 566 P CA 0.905 64.077 63.100 0.119 0.000 0.798 566 P CB 0.416 32.078 31.700 -0.065 0.000 0.796 567 M N 1.100 120.919 119.600 0.365 0.000 2.497 567 M HA 0.291 4.770 4.480 -0.000 0.000 0.336 567 M C -1.028 175.386 176.300 0.191 0.000 1.378 567 M CA -0.213 55.288 55.300 0.334 0.000 1.375 567 M CB -0.072 32.630 32.600 0.170 0.000 1.337 567 M HN -0.294 nan 8.290 nan 0.000 0.461 568 V N 3.915 123.980 119.914 0.251 0.000 3.012 568 V HA 1.021 5.141 4.120 -0.000 0.000 0.307 568 V C -0.775 175.449 176.094 0.216 0.000 1.166 568 V CA -0.058 62.344 62.300 0.169 0.000 0.974 568 V CB 2.296 34.202 31.823 0.139 0.000 1.040 568 V HN 0.800 nan 8.190 nan 0.000 0.428 569 G N 5.268 114.176 108.800 0.180 0.000 2.646 569 G HA2 0.738 4.698 3.960 -0.000 0.000 0.291 569 G HA3 0.738 4.698 3.960 -0.000 0.000 0.291 569 G C -3.529 171.318 174.900 -0.088 0.000 1.445 569 G CA -0.720 44.319 45.100 -0.102 0.000 0.814 569 G HN 0.674 nan 8.290 nan 0.000 0.495 570 P HA 0.352 nan 4.420 nan 0.000 0.310 570 P C -1.064 176.243 177.300 0.012 0.000 1.309 570 P CA -0.483 62.618 63.100 0.002 0.000 0.769 570 P CB 1.273 33.039 31.700 0.110 0.000 1.327 571 D N 0.356 120.804 120.400 0.081 0.000 2.359 571 D HA 0.237 4.877 4.640 -0.000 0.000 0.250 571 D C 0.520 176.579 176.300 -0.402 0.000 1.264 571 D CA 0.158 54.134 54.000 -0.040 0.000 0.911 571 D CB -0.402 40.502 40.800 0.174 0.000 1.056 571 D HN 0.226 nan 8.370 nan 0.000 0.499 572 I N 1.418 121.731 120.570 -0.428 0.000 2.775 572 I HA -0.183 3.986 4.170 -0.000 0.000 0.290 572 I C 1.095 176.718 176.117 -0.823 0.000 1.203 572 I CA 0.015 60.851 61.300 -0.773 0.000 1.433 572 I CB 0.283 38.160 38.000 -0.206 0.000 1.354 572 I HN 0.616 nan 8.210 nan 0.000 0.579 573 c N 3.760 121.579 118.600 -1.302 0.000 5.467 573 c HA -0.130 4.439 4.570 -0.000 0.000 0.269 573 c C 0.867 174.614 174.090 -0.572 0.000 1.868 573 c CA 0.308 56.284 56.329 -0.589 0.000 1.676 573 c CB -2.512 39.899 42.510 -0.166 0.000 2.513 573 c HN 1.546 nan 8.230 nan 0.000 0.533 574 G N -1.156 107.154 108.800 -0.817 0.000 3.209 574 G HA2 0.071 4.031 3.960 -0.000 0.000 0.686 574 G HA3 0.071 4.031 3.960 -0.000 0.000 0.686 574 G C -0.322 174.527 174.900 -0.085 0.000 1.065 574 G CA 0.081 45.001 45.100 -0.300 0.000 0.812 574 G HN 1.125 nan 8.290 nan 0.000 0.573 575 F N 2.818 122.713 119.950 -0.092 0.000 2.060 575 F HA 0.465 4.992 4.527 -0.000 0.000 0.295 575 F C 1.962 177.708 175.800 -0.090 0.000 1.120 575 F CA 2.217 60.190 58.000 -0.045 0.000 1.205 575 F CB -0.214 38.855 39.000 0.115 0.000 0.986 575 F HN 1.108 nan 8.300 nan 0.000 0.470 576 A N 0.967 123.765 122.820 -0.036 0.000 2.354 576 A HA 0.543 4.863 4.320 -0.000 0.000 0.269 576 A C -0.823 176.359 177.584 -0.670 0.000 1.109 576 A CA -0.326 51.498 52.037 -0.354 0.000 0.800 576 A CB 0.095 19.150 19.000 0.091 0.000 1.045 576 A HN 0.573 nan 8.150 nan 0.000 0.489 577 L N 0.768 121.084 121.223 -1.512 0.000 0.584 577 L HA -0.126 4.213 4.340 -0.000 0.000 0.356 577 L C -0.789 175.709 176.870 -0.620 0.000 1.004 577 L CA 0.111 54.428 54.840 -0.872 0.000 1.223 577 L CB -0.843 41.044 42.059 -0.288 0.000 0.014 577 L HN 0.877 nan 8.230 nan 0.000 0.091 578 D N 0.920 121.187 120.400 -0.221 0.000 2.424 578 D HA 0.298 4.938 4.640 -0.000 0.000 0.244 578 D C 0.369 176.651 176.300 -0.031 0.000 1.134 578 D CA 0.207 54.179 54.000 -0.046 0.000 0.881 578 D CB 0.924 41.746 40.800 0.038 0.000 1.191 578 D HN 0.553 nan 8.370 nan 0.000 0.445 579 T N 2.137 116.702 114.554 0.018 0.000 2.845 579 T HA 0.402 4.752 4.350 -0.000 0.000 0.288 579 T C -2.401 172.382 174.700 0.139 0.000 0.980 579 T CA -1.834 60.307 62.100 0.069 0.000 1.071 579 T CB 0.801 69.725 68.868 0.093 0.000 0.941 579 T HN 0.048 nan 8.240 nan 0.000 0.487 580 P HA 0.166 nan 4.420 nan 0.000 0.272 580 P C 0.818 178.220 177.300 0.171 0.000 1.223 580 P CA -0.359 62.836 63.100 0.158 0.000 0.784 580 P CB 0.572 32.372 31.700 0.167 0.000 0.923 581 E N 2.368 122.692 120.200 0.207 0.000 2.077 581 E HA -0.253 4.097 4.350 -0.000 0.000 0.193 581 E C 1.449 178.045 176.600 -0.006 0.000 0.989 581 E CA 1.600 58.067 56.400 0.112 0.000 0.800 581 E CB -0.017 29.791 29.700 0.179 0.000 0.746 581 E HN 0.558 nan 8.360 nan 0.000 0.452 582 E N 0.018 120.281 120.200 0.105 0.000 2.047 582 E HA -0.182 4.167 4.350 -0.000 0.000 0.191 582 E C 2.394 179.063 176.600 0.116 0.000 0.987 582 E CA 0.935 57.434 56.400 0.165 0.000 0.799 582 E CB -0.120 29.765 29.700 0.308 0.000 0.752 582 E HN 0.202 nan 8.360 nan 0.000 0.449 583 L N 0.931 122.150 121.223 -0.007 0.000 2.017 583 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 583 L C 2.542 179.278 176.870 -0.224 0.000 1.073 583 L CA 1.913 56.422 54.840 -0.552 0.000 0.745 583 L CB -0.993 40.648 42.059 -0.697 0.000 0.894 583 L HN 0.331 nan 8.230 nan 0.000 0.432 584 c N -0.034 118.513 118.600 -0.088 0.000 2.425 584 c HA -0.152 4.418 4.570 -0.000 0.000 0.277 584 c C 3.078 177.096 174.090 -0.121 0.000 1.280 584 c CA 1.127 57.416 56.329 -0.066 0.000 1.744 584 c CB -0.959 41.483 42.510 -0.113 0.000 1.989 584 c HN 0.695 nan 8.230 nan 0.000 0.491 585 R N 0.055 120.451 120.500 -0.174 0.000 2.070 585 R HA -0.095 4.245 4.340 -0.000 0.000 0.233 585 R C 2.474 178.762 176.300 -0.021 0.000 1.137 585 R CA 1.477 57.507 56.100 -0.117 0.000 0.945 585 R CB -0.301 29.944 30.300 -0.092 0.000 0.845 585 R HN 0.357 nan 8.270 nan 0.000 0.430 586 R N -0.064 120.433 120.500 -0.005 0.000 2.081 586 R HA -0.179 4.161 4.340 -0.000 0.000 0.235 586 R C 1.904 178.218 176.300 0.024 0.000 1.131 586 R CA 1.095 57.199 56.100 0.005 0.000 0.960 586 R CB -1.008 29.306 30.300 0.023 0.000 0.856 586 R HN 0.469 nan 8.270 nan 0.000 0.436 587 W N 0.774 121.984 121.300 -0.151 0.000 2.388 587 W HA -0.022 4.638 4.660 -0.000 0.000 0.294 587 W C 1.788 178.279 176.519 -0.047 0.000 1.212 587 W CA 0.697 57.987 57.345 -0.091 0.000 1.271 587 W CB -0.212 29.190 29.460 -0.097 0.000 1.126 587 W HN -0.002 nan 8.180 nan 0.000 0.535 588 M N 0.201 119.908 119.600 0.178 0.000 2.159 588 M HA -0.204 4.276 4.480 -0.000 0.000 0.263 588 M C 1.901 178.225 176.300 0.039 0.000 1.063 588 M CA 1.579 56.918 55.300 0.064 0.000 1.110 588 M CB -1.416 31.167 32.600 -0.029 0.000 1.374 588 M HN 0.134 nan 8.290 nan 0.000 0.411 589 Q N -0.266 119.551 119.800 0.029 0.000 2.046 589 Q HA -0.179 4.160 4.340 -0.000 0.000 0.200 589 Q C 2.071 178.059 176.000 -0.021 0.000 0.975 589 Q CA 1.198 56.971 55.803 -0.051 0.000 0.836 589 Q CB -0.311 28.340 28.738 -0.146 0.000 0.896 589 Q HN 0.310 nan 8.270 nan 0.000 0.428 590 L N 0.393 121.610 121.223 -0.010 0.000 2.046 590 L HA -0.025 4.314 4.340 -0.000 0.000 0.208 590 L C 2.063 178.838 176.870 -0.159 0.000 1.077 590 L CA 2.244 57.061 54.840 -0.039 0.000 0.747 590 L CB -1.029 40.972 42.059 -0.097 0.000 0.896 590 L HN 0.196 nan 8.230 nan 0.000 0.432 591 G N -1.089 107.653 108.800 -0.096 0.000 2.448 591 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.219 591 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.219 591 G C 1.570 176.497 174.900 0.044 0.000 1.127 591 G CA 0.656 45.742 45.100 -0.023 0.000 0.766 591 G HN 0.640 nan 8.290 nan 0.000 0.552 592 A N -0.086 122.677 122.820 -0.095 0.000 2.125 592 A HA 0.199 4.519 4.320 -0.000 0.000 0.219 592 A C 1.602 178.827 177.584 -0.598 0.000 1.156 592 A CA 0.880 52.709 52.037 -0.347 0.000 0.671 592 A CB -0.350 18.324 19.000 -0.544 0.000 0.794 592 A HN 0.354 nan 8.150 nan 0.000 0.459 593 F N -2.858 117.189 119.950 0.160 0.000 2.688 593 F HA 0.314 4.841 4.527 -0.000 0.000 0.310 593 F C -0.157 176.099 175.800 0.760 0.000 1.098 593 F CA -1.028 57.193 58.000 0.369 0.000 1.228 593 F CB 0.030 38.972 39.000 -0.097 0.000 1.042 593 F HN 0.035 nan 8.300 nan 0.000 0.557 594 Y N 1.864 122.528 120.300 0.607 0.000 2.397 594 Y HA 0.181 4.731 4.550 -0.000 0.000 0.335 594 Y C -1.237 174.920 175.900 0.428 0.000 1.213 594 Y CA -2.806 55.579 58.100 0.474 0.000 1.391 594 Y CB -0.150 38.486 38.460 0.294 0.000 1.293 594 Y HN -0.142 nan 8.280 nan 0.000 0.557 595 P HA -0.162 nan 4.420 nan 0.000 0.216 595 P C -0.130 177.434 177.300 0.439 0.000 1.153 595 P CA 1.264 64.608 63.100 0.407 0.000 0.848 595 P CB 0.187 32.095 31.700 0.347 0.000 0.787 596 F N 0.433 120.516 119.950 0.220 0.000 2.391 596 F HA 0.496 5.022 4.527 -0.000 0.000 0.359 596 F C -0.001 175.880 175.800 0.135 0.000 1.122 596 F CA -1.327 56.730 58.000 0.095 0.000 1.120 596 F CB 0.575 39.580 39.000 0.008 0.000 1.142 596 F HN -0.304 nan 8.300 nan 0.000 0.483 597 S N 7.741 123.253 115.700 -0.314 0.000 2.601 597 S HA 0.512 4.982 4.470 -0.000 0.000 0.312 597 S C -0.701 173.610 174.600 -0.482 0.000 1.107 597 S CA -0.629 57.502 58.200 -0.116 0.000 1.129 597 S CB 0.002 63.374 63.200 0.287 0.000 0.982 597 S HN 0.842 nan 8.310 nan 0.000 0.469 598 R N 4.028 124.096 120.500 -0.721 0.000 2.502 598 R HA 0.332 4.672 4.340 -0.000 0.000 0.300 598 R C -1.182 174.867 176.300 -0.418 0.000 0.984 598 R CA -0.629 54.996 56.100 -0.790 0.000 0.882 598 R CB 0.790 30.420 30.300 -1.117 0.000 1.180 598 R HN 0.566 nan 8.270 nan 0.000 0.444 599 N N 3.012 121.505 118.700 -0.345 0.000 2.408 599 N HA 0.063 4.803 4.740 -0.000 0.000 0.257 599 N C -1.562 173.893 175.510 -0.091 0.000 1.064 599 N CA 0.156 53.135 53.050 -0.119 0.000 0.952 599 N CB 0.747 39.297 38.487 0.104 0.000 1.093 599 N HN 0.619 nan 8.380 nan 0.000 0.490 600 H N 2.374 121.346 119.070 -0.162 0.000 2.806 600 H HA 0.529 5.084 4.556 -0.000 0.000 0.367 600 H C -1.390 173.979 175.328 0.068 0.000 1.136 600 H CA -0.718 55.292 56.048 -0.064 0.000 1.178 600 H CB 1.090 30.782 29.762 -0.116 0.000 1.718 600 H HN 0.554 nan 8.280 nan 0.000 0.540 601 N N 1.710 120.168 118.700 -0.403 0.000 2.242 601 N HA 0.454 5.194 4.740 -0.000 0.000 0.292 601 N C -0.334 174.865 175.510 -0.518 0.000 1.125 601 N CA 0.007 52.862 53.050 -0.325 0.000 0.783 601 N CB 2.273 40.649 38.487 -0.186 0.000 1.558 601 N HN 0.852 nan 8.380 nan 0.000 0.472 602 G N 0.143 108.511 108.800 -0.720 0.000 2.621 602 G HA2 0.200 4.159 3.960 -0.000 0.000 0.271 602 G HA3 0.200 4.159 3.960 -0.000 0.000 0.271 602 G C -0.560 174.134 174.900 -0.342 0.000 1.236 602 G CA -0.336 44.245 45.100 -0.867 0.000 0.958 602 G HN 0.662 nan 8.290 nan 0.000 0.512 603 Q N -0.538 118.974 119.800 -0.480 0.000 2.289 603 Q HA 0.400 4.739 4.340 -0.000 0.000 0.273 603 Q C 1.231 176.759 176.000 -0.787 0.000 1.029 603 Q CA 1.016 56.378 55.803 -0.735 0.000 0.896 603 Q CB 0.184 28.311 28.738 -1.018 0.000 1.182 603 Q HN 1.228 nan 8.270 nan 0.000 0.385 604 G N 2.765 111.210 108.800 -0.593 0.000 2.234 604 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.235 604 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.235 604 G C -0.621 174.007 174.900 -0.453 0.000 0.997 604 G CA 0.091 44.874 45.100 -0.528 0.000 0.623 604 G HN 0.611 nan 8.290 nan 0.000 0.514 605 Y N 1.927 122.114 120.300 -0.188 0.000 2.298 605 Y HA 0.495 5.045 4.550 -0.000 0.000 0.329 605 Y C 1.287 177.104 175.900 -0.138 0.000 1.293 605 Y CA -0.347 57.663 58.100 -0.150 0.000 1.388 605 Y CB 0.529 38.887 38.460 -0.171 0.000 1.309 605 Y HN 0.420 nan 8.280 nan 0.000 0.544 606 K N 0.782 121.223 120.400 0.068 0.000 2.380 606 K HA 0.029 4.349 4.320 -0.000 0.000 0.267 606 K C -0.911 175.654 176.600 -0.058 0.000 0.990 606 K CA -0.654 55.619 56.287 -0.024 0.000 0.946 606 K CB 0.327 32.803 32.500 -0.041 0.000 0.937 606 K HN 0.450 nan 8.250 nan 0.000 0.491 607 D N 2.223 122.561 120.400 -0.103 0.000 2.525 607 D HA -0.105 4.534 4.640 -0.000 0.000 0.235 607 D C 0.501 176.709 176.300 -0.154 0.000 1.137 607 D CA 0.622 54.555 54.000 -0.112 0.000 0.868 607 D CB 0.713 41.446 40.800 -0.113 0.000 1.180 607 D HN 0.695 nan 8.370 nan 0.000 0.465 608 Q N 0.436 120.213 119.800 -0.039 0.000 2.093 608 Q HA 0.056 4.396 4.340 -0.000 0.000 0.217 608 Q C -0.564 175.580 176.000 0.240 0.000 0.785 608 Q CA -0.601 55.271 55.803 0.115 0.000 1.038 608 Q CB 0.302 29.122 28.738 0.136 0.000 1.190 608 Q HN 0.476 nan 8.270 nan 0.000 0.468 609 D N 1.157 121.641 120.400 0.141 0.000 2.443 609 D HA 0.018 4.658 4.640 -0.000 0.000 0.239 609 D C -1.821 174.633 176.300 0.257 0.000 1.136 609 D CA -1.141 52.960 54.000 0.168 0.000 0.879 609 D CB 1.478 42.347 40.800 0.115 0.000 1.195 609 D HN -0.127 nan 8.370 nan 0.000 0.443 610 P HA -0.167 nan 4.420 nan 0.000 0.216 610 P C 1.330 178.775 177.300 0.241 0.000 1.153 610 P CA 2.247 65.473 63.100 0.210 0.000 0.858 610 P CB 0.024 31.740 31.700 0.027 0.000 0.789 611 A N -0.171 122.731 122.820 0.136 0.000 2.067 611 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 611 A C 2.261 179.902 177.584 0.095 0.000 1.158 611 A CA 1.730 53.830 52.037 0.104 0.000 0.661 611 A CB -1.570 17.470 19.000 0.066 0.000 0.801 611 A HN 0.319 nan 8.150 nan 0.000 0.452 612 S N -1.101 114.637 115.700 0.064 0.000 2.469 612 S HA -0.090 4.380 4.470 -0.000 0.000 0.238 612 S C 1.306 175.794 174.600 -0.186 0.000 0.998 612 S CA 1.075 59.223 58.200 -0.085 0.000 0.957 612 S CB -0.764 62.325 63.200 -0.185 0.000 0.764 612 S HN 0.420 nan 8.310 nan 0.000 0.514 613 F N 2.196 122.157 119.950 0.017 0.000 2.789 613 F HA 0.422 4.949 4.527 -0.000 0.000 0.300 613 F C 1.493 177.303 175.800 0.016 0.000 1.132 613 F CA 0.478 58.489 58.000 0.018 0.000 1.404 613 F CB 0.139 39.150 39.000 0.019 0.000 1.114 613 F HN 0.488 nan 8.300 nan 0.000 0.584 614 G N -0.347 108.538 108.800 0.143 0.000 2.957 614 G HA2 0.223 4.183 3.960 -0.000 0.000 0.636 614 G HA3 0.223 4.183 3.960 -0.000 0.000 0.636 614 G C 0.477 175.425 174.900 0.080 0.000 1.401 614 G CA -0.733 44.421 45.100 0.091 0.000 0.941 614 G HN 0.256 nan 8.290 nan 0.000 0.610 615 A N 1.146 123.998 122.820 0.053 0.000 2.009 615 A HA -0.034 4.286 4.320 -0.000 0.000 0.222 615 A C 1.566 179.172 177.584 0.036 0.000 1.175 615 A CA 2.495 54.557 52.037 0.041 0.000 0.651 615 A CB -0.045 18.973 19.000 0.030 0.000 0.815 615 A HN 0.628 nan 8.150 nan 0.000 0.459 616 D N -0.757 119.665 120.400 0.036 0.000 2.593 616 D HA 0.155 4.795 4.640 -0.000 0.000 0.241 616 D C 0.247 176.567 176.300 0.033 0.000 1.257 616 D CA 0.513 54.529 54.000 0.027 0.000 0.828 616 D CB 0.237 41.049 40.800 0.019 0.000 1.049 616 D HN 0.495 nan 8.370 nan 0.000 0.490 617 S N -0.048 115.683 115.700 0.052 0.000 2.593 617 S HA 0.088 4.558 4.470 -0.000 0.000 0.269 617 S C 1.343 175.962 174.600 0.031 0.000 1.334 617 S CA -0.617 57.619 58.200 0.061 0.000 1.015 617 S CB 1.788 65.058 63.200 0.117 0.000 0.912 617 S HN 0.061 nan 8.310 nan 0.000 0.541 618 L N 2.140 123.376 121.223 0.021 0.000 2.083 618 L HA 0.035 4.375 4.340 -0.000 0.000 0.209 618 L C 2.192 179.051 176.870 -0.018 0.000 1.083 618 L CA 1.597 56.438 54.840 0.001 0.000 0.752 618 L CB -0.830 41.231 42.059 0.004 0.000 0.899 618 L HN 0.916 nan 8.230 nan 0.000 0.433 619 L N -1.471 119.721 121.223 -0.051 0.000 2.046 619 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 619 L C 2.381 179.206 176.870 -0.075 0.000 1.077 619 L CA 1.580 56.340 54.840 -0.132 0.000 0.747 619 L CB -0.284 41.544 42.059 -0.386 0.000 0.896 619 L HN 0.410 nan 8.230 nan 0.000 0.432 620 L N 0.212 121.426 121.223 -0.015 0.000 2.056 620 L HA -0.168 4.172 4.340 -0.000 0.000 0.207 620 L C 2.178 179.041 176.870 -0.012 0.000 1.078 620 L CA 1.691 56.533 54.840 0.002 0.000 0.749 620 L CB -0.949 41.137 42.059 0.045 0.000 0.901 620 L HN 0.292 nan 8.230 nan 0.000 0.433 621 N N -0.790 117.906 118.700 -0.006 0.000 2.120 621 N HA -0.182 4.557 4.740 -0.000 0.000 0.188 621 N C 2.057 177.565 175.510 -0.004 0.000 1.024 621 N CA 1.517 54.560 53.050 -0.012 0.000 0.852 621 N CB -0.446 38.028 38.487 -0.022 0.000 1.003 621 N HN 0.439 nan 8.380 nan 0.000 0.424 622 S N -0.108 115.599 115.700 0.012 0.000 2.371 622 S HA 0.024 4.493 4.470 -0.000 0.000 0.224 622 S C 2.045 176.728 174.600 0.139 0.000 1.029 622 S CA 0.919 59.169 58.200 0.083 0.000 0.978 622 S CB -0.182 63.087 63.200 0.115 0.000 0.833 622 S HN 0.230 nan 8.310 nan 0.000 0.466 623 S N 1.419 117.143 115.700 0.040 0.000 2.359 623 S HA -0.149 4.321 4.470 -0.000 0.000 0.222 623 S C 1.941 176.484 174.600 -0.095 0.000 1.038 623 S CA 1.565 59.740 58.200 -0.041 0.000 1.051 623 S CB -0.510 62.618 63.200 -0.120 0.000 0.944 623 S HN 0.572 nan 8.310 nan 0.000 0.433 624 R N 0.346 120.791 120.500 -0.092 0.000 2.091 624 R HA -0.184 4.156 4.340 -0.000 0.000 0.238 624 R C 2.403 178.643 176.300 -0.100 0.000 1.136 624 R CA 1.698 57.731 56.100 -0.111 0.000 0.959 624 R CB -0.500 29.758 30.300 -0.070 0.000 0.856 624 R HN 0.584 nan 8.270 nan 0.000 0.437 625 H N -0.746 118.220 119.070 -0.173 0.000 2.290 625 H HA -0.204 4.352 4.556 -0.000 0.000 0.298 625 H C 1.460 176.587 175.328 -0.336 0.000 1.087 625 H CA 2.363 58.243 56.048 -0.279 0.000 1.291 625 H CB -0.168 29.350 29.762 -0.407 0.000 1.369 625 H HN 0.354 nan 8.280 nan 0.000 0.492 626 Y N 0.172 120.442 120.300 -0.049 0.000 2.420 626 Y HA -0.047 4.503 4.550 -0.000 0.000 0.292 626 Y C 2.846 178.618 175.900 -0.213 0.000 1.119 626 Y CA 0.179 58.230 58.100 -0.081 0.000 1.229 626 Y CB 0.127 38.625 38.460 0.064 0.000 1.026 626 Y HN 0.102 nan 8.280 nan 0.000 0.554 627 L N -0.317 120.839 121.223 -0.113 0.000 2.093 627 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 627 L C 1.670 178.469 176.870 -0.117 0.000 1.085 627 L CA 1.423 56.165 54.840 -0.164 0.000 0.755 627 L CB -0.496 41.377 42.059 -0.309 0.000 0.904 627 L HN 0.287 nan 8.230 nan 0.000 0.435 628 N N 0.027 118.628 118.700 -0.164 0.000 2.166 628 N HA -0.154 4.586 4.740 -0.000 0.000 0.186 628 N C 1.877 177.393 175.510 0.009 0.000 1.019 628 N CA 0.985 53.976 53.050 -0.098 0.000 0.856 628 N CB -0.009 38.400 38.487 -0.130 0.000 0.993 628 N HN 0.245 nan 8.380 nan 0.000 0.426 629 I N 0.712 121.245 120.570 -0.062 0.000 2.179 629 I HA -0.263 3.906 4.170 -0.000 0.000 0.242 629 I C 2.579 178.762 176.117 0.110 0.000 1.088 629 I CA 0.876 62.187 61.300 0.019 0.000 1.357 629 I CB -0.264 37.721 38.000 -0.026 0.000 1.051 629 I HN 0.164 nan 8.210 nan 0.000 0.409 630 R N 0.469 120.996 120.500 0.046 0.000 2.096 630 R HA -0.254 4.086 4.340 -0.000 0.000 0.240 630 R C 2.417 178.935 176.300 0.362 0.000 1.139 630 R CA 2.093 58.284 56.100 0.152 0.000 0.952 630 R CB -0.428 29.886 30.300 0.024 0.000 0.854 630 R HN 0.254 nan 8.270 nan 0.000 0.436 631 Y N 0.638 121.011 120.300 0.122 0.000 2.314 631 Y HA -0.076 4.473 4.550 -0.000 0.000 0.293 631 Y C 2.577 178.604 175.900 0.212 0.000 1.129 631 Y CA 1.629 59.827 58.100 0.163 0.000 1.201 631 Y CB -0.483 38.050 38.460 0.121 0.000 0.999 631 Y HN 0.112 nan 8.280 nan 0.000 0.541 632 T N 0.081 114.837 114.554 0.336 0.000 2.833 632 T HA -0.134 4.216 4.350 -0.000 0.000 0.269 632 T C 1.665 176.576 174.700 0.352 0.000 1.054 632 T CA 1.163 63.441 62.100 0.296 0.000 1.135 632 T CB -0.375 68.648 68.868 0.259 0.000 0.869 632 T HN 0.215 nan 8.240 nan 0.000 0.466 633 L N 0.559 122.025 121.223 0.405 0.000 2.628 633 L HA 0.298 4.637 4.340 -0.000 0.000 0.229 633 L C 1.796 179.028 176.870 0.604 0.000 1.137 633 L CA -0.081 55.090 54.840 0.551 0.000 0.909 633 L CB -0.268 42.164 42.059 0.621 0.000 1.137 633 L HN 0.234 nan 8.230 nan 0.000 0.470 634 L N 0.548 122.026 121.223 0.425 0.000 2.042 634 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 634 L C -0.196 176.936 176.870 0.436 0.000 1.076 634 L CA 1.582 56.588 54.840 0.276 0.000 0.749 634 L CB -1.486 40.562 42.059 -0.019 0.000 0.893 634 L HN 0.266 nan 8.230 nan 0.000 0.432 635 P HA -0.232 nan 4.420 nan 0.000 0.218 635 P C 1.259 178.989 177.300 0.716 0.000 1.148 635 P CA 1.362 64.916 63.100 0.758 0.000 0.822 635 P CB -0.059 32.019 31.700 0.631 0.000 0.784 636 Y N 0.229 120.853 120.300 0.539 0.000 2.184 636 Y HA -0.109 4.441 4.550 -0.000 0.000 0.290 636 Y C 2.074 178.227 175.900 0.421 0.000 1.129 636 Y CA 1.034 59.443 58.100 0.515 0.000 1.144 636 Y CB -1.103 37.719 38.460 0.603 0.000 0.995 636 Y HN -0.228 nan 8.280 nan 0.000 0.513 637 L N -0.495 120.881 121.223 0.255 0.000 2.046 637 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 637 L C 2.211 179.189 176.870 0.179 0.000 1.077 637 L CA 1.961 56.742 54.840 -0.099 0.000 0.747 637 L CB -1.431 40.499 42.059 -0.216 0.000 0.896 637 L HN 0.384 nan 8.230 nan 0.000 0.432 638 Y N 0.168 120.577 120.300 0.182 0.000 2.224 638 Y HA -0.245 4.305 4.550 -0.000 0.000 0.289 638 Y C 2.457 178.565 175.900 0.348 0.000 1.146 638 Y CA 2.144 60.409 58.100 0.275 0.000 1.182 638 Y CB -0.784 37.881 38.460 0.341 0.000 0.983 638 Y HN 0.236 nan 8.280 nan 0.000 0.524 639 T N 0.950 115.740 114.554 0.394 0.000 2.833 639 T HA -0.159 4.191 4.350 -0.000 0.000 0.269 639 T C 2.095 176.871 174.700 0.128 0.000 1.054 639 T CA 1.535 63.824 62.100 0.314 0.000 1.135 639 T CB -0.429 68.696 68.868 0.428 0.000 0.869 639 T HN 0.296 nan 8.240 nan 0.000 0.466 640 L N -0.463 120.733 121.223 -0.046 0.000 2.093 640 L HA -0.014 4.326 4.340 -0.000 0.000 0.208 640 L C 2.237 178.945 176.870 -0.270 0.000 1.085 640 L CA 1.288 55.995 54.840 -0.221 0.000 0.755 640 L CB -0.566 41.234 42.059 -0.432 0.000 0.904 640 L HN 0.209 nan 8.230 nan 0.000 0.435 641 F N -0.647 119.198 119.950 -0.175 0.000 2.186 641 F HA -0.246 4.281 4.527 -0.000 0.000 0.299 641 F C 2.355 177.992 175.800 -0.272 0.000 1.090 641 F CA 1.434 59.313 58.000 -0.202 0.000 1.307 641 F CB -0.580 38.315 39.000 -0.174 0.000 1.019 641 F HN -0.007 nan 8.300 nan 0.000 0.489 642 F N 1.193 120.924 119.950 -0.365 0.000 2.126 642 F HA -0.200 4.327 4.527 -0.000 0.000 0.299 642 F C 2.361 177.931 175.800 -0.384 0.000 1.096 642 F CA 1.577 59.191 58.000 -0.644 0.000 1.255 642 F CB -0.357 37.948 39.000 -1.159 0.000 0.997 642 F HN -0.253 nan 8.300 nan 0.000 0.479 643 R N 0.737 120.899 120.500 -0.564 0.000 2.115 643 R HA 0.025 4.364 4.340 -0.000 0.000 0.226 643 R C 2.431 178.474 176.300 -0.428 0.000 1.100 643 R CA 1.077 56.831 56.100 -0.576 0.000 0.980 643 R CB -1.563 28.578 30.300 -0.266 0.000 0.875 643 R HN 0.441 nan 8.270 nan 0.000 0.445 644 A N 0.426 123.057 122.820 -0.315 0.000 1.877 644 A HA -0.230 4.090 4.320 -0.000 0.000 0.216 644 A C 2.091 179.537 177.584 -0.230 0.000 1.186 644 A CA 1.930 53.822 52.037 -0.241 0.000 0.620 644 A CB -0.702 18.175 19.000 -0.205 0.000 0.822 644 A HN 0.429 nan 8.150 nan 0.000 0.443 645 H N 0.660 119.531 119.070 -0.332 0.000 2.357 645 H HA -0.067 4.489 4.556 -0.000 0.000 0.301 645 H C 2.272 177.375 175.328 -0.375 0.000 1.082 645 H CA 2.309 58.167 56.048 -0.316 0.000 1.342 645 H CB -0.046 29.542 29.762 -0.289 0.000 1.389 645 H HN 0.515 nan 8.280 nan 0.000 0.511 646 S N -1.408 113.883 115.700 -0.681 0.000 2.483 646 S HA 0.082 4.552 4.470 -0.000 0.000 0.221 646 S C 2.111 176.423 174.600 -0.480 0.000 1.030 646 S CA 0.393 58.178 58.200 -0.691 0.000 0.925 646 S CB 0.377 63.027 63.200 -0.918 0.000 0.795 646 S HN 0.424 nan 8.310 nan 0.000 0.511 647 R N 0.160 120.399 120.500 -0.436 0.000 2.412 647 R HA 0.367 4.707 4.340 -0.000 0.000 0.212 647 R C 1.182 177.337 176.300 -0.241 0.000 0.878 647 R CA 0.843 56.768 56.100 -0.292 0.000 1.022 647 R CB 0.516 30.658 30.300 -0.263 0.000 1.265 647 R HN 0.533 nan 8.270 nan 0.000 0.620 648 G N 1.346 109.988 108.800 -0.262 0.000 2.163 648 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.213 648 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.213 648 G C -0.747 174.052 174.900 -0.168 0.000 0.991 648 G CA 0.069 45.036 45.100 -0.222 0.000 0.653 648 G HN 0.377 nan 8.290 nan 0.000 0.518 649 D N 1.763 122.067 120.400 -0.161 0.000 2.419 649 D HA 0.434 5.074 4.640 -0.000 0.000 0.236 649 D C 1.505 177.737 176.300 -0.114 0.000 1.165 649 D CA 1.157 55.092 54.000 -0.109 0.000 0.882 649 D CB 0.583 41.315 40.800 -0.114 0.000 1.201 649 D HN 0.484 nan 8.370 nan 0.000 0.443 650 T N -1.969 112.550 114.554 -0.059 0.000 2.828 650 T HA 0.312 4.662 4.350 -0.000 0.000 0.290 650 T C 1.015 175.614 174.700 -0.168 0.000 1.019 650 T CA -0.851 61.194 62.100 -0.092 0.000 1.031 650 T CB 0.933 69.771 68.868 -0.050 0.000 1.001 650 T HN 0.073 nan 8.240 nan 0.000 0.531 651 V N 0.470 120.238 119.914 -0.244 0.000 2.735 651 V HA 0.410 4.530 4.120 -0.000 0.000 0.234 651 V C 1.569 177.566 176.094 -0.161 0.000 1.121 651 V CA 0.628 62.705 62.300 -0.372 0.000 1.160 651 V CB -0.787 30.566 31.823 -0.785 0.000 0.908 651 V HN 1.150 nan 8.190 nan 0.000 0.495 652 A N 1.454 124.241 122.820 -0.054 0.000 2.362 652 A HA 0.618 4.938 4.320 -0.000 0.000 0.276 652 A C 0.103 177.742 177.584 0.092 0.000 1.153 652 A CA 0.047 52.206 52.037 0.204 0.000 0.813 652 A CB 0.080 19.222 19.000 0.236 0.000 1.081 652 A HN 0.449 nan 8.150 nan 0.000 0.507 653 R N 3.136 123.738 120.500 0.170 0.000 2.628 653 R HA 0.539 4.879 4.340 -0.000 0.000 0.288 653 R C -3.143 173.155 176.300 -0.003 0.000 0.980 653 R CA -1.920 54.177 56.100 -0.004 0.000 0.891 653 R CB 2.054 32.395 30.300 0.068 0.000 1.188 653 R HN 0.403 nan 8.270 nan 0.000 0.450 654 P HA 0.039 nan 4.420 nan 0.000 0.271 654 P C 0.347 177.728 177.300 0.135 0.000 1.218 654 P CA -0.373 62.654 63.100 -0.122 0.000 0.780 654 P CB 0.641 32.191 31.700 -0.251 0.000 0.901 655 L N 2.368 123.737 121.223 0.243 0.000 2.129 655 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 655 L C 2.019 179.187 176.870 0.497 0.000 1.087 655 L CA 1.839 56.933 54.840 0.424 0.000 0.757 655 L CB -1.459 40.828 42.059 0.382 0.000 0.896 655 L HN 0.439 nan 8.230 nan 0.000 0.434 656 L N -3.832 117.645 121.223 0.424 0.000 2.275 656 L HA -0.108 4.232 4.340 -0.000 0.000 0.215 656 L C 2.265 179.435 176.870 0.499 0.000 1.119 656 L CA 1.535 56.671 54.840 0.493 0.000 0.790 656 L CB -1.159 41.175 42.059 0.458 0.000 0.919 656 L HN 0.280 nan 8.230 nan 0.000 0.443 657 H N -0.111 119.089 119.070 0.217 0.000 2.457 657 H HA -0.002 4.554 4.556 -0.000 0.000 0.294 657 H C 1.332 176.779 175.328 0.199 0.000 1.064 657 H CA 1.156 57.328 56.048 0.207 0.000 1.330 657 H CB 0.467 30.296 29.762 0.111 0.000 1.395 657 H HN 0.517 nan 8.280 nan 0.000 0.541 658 E N -0.043 120.229 120.200 0.119 0.000 2.389 658 E HA 0.014 4.364 4.350 -0.000 0.000 0.199 658 E C 0.161 176.312 176.600 -0.748 0.000 0.978 658 E CA 0.307 56.484 56.400 -0.371 0.000 0.912 658 E CB 0.428 29.709 29.700 -0.697 0.000 0.907 658 E HN 0.344 nan 8.360 nan 0.000 0.494 659 F N 0.294 120.274 119.950 0.050 0.000 2.814 659 F HA 0.120 4.646 4.527 -0.000 0.000 0.326 659 F C 0.959 176.802 175.800 0.072 0.000 1.159 659 F CA -0.913 57.092 58.000 0.008 0.000 1.234 659 F CB -0.408 38.703 39.000 0.185 0.000 1.016 659 F HN -0.033 nan 8.300 nan 0.000 0.510 660 Y N -0.761 119.785 120.300 0.410 0.000 2.384 660 Y HA -0.121 4.429 4.550 -0.000 0.000 0.289 660 Y C 1.591 177.838 175.900 0.579 0.000 1.152 660 Y CA 0.891 59.298 58.100 0.512 0.000 1.258 660 Y CB -1.225 37.401 38.460 0.276 0.000 0.979 660 Y HN 0.200 nan 8.280 nan 0.000 0.549 661 E N 0.154 120.545 120.200 0.319 0.000 2.338 661 E HA -0.142 4.208 4.350 -0.000 0.000 0.197 661 E C -0.010 176.735 176.600 0.241 0.000 1.007 661 E CA 0.857 57.457 56.400 0.334 0.000 0.849 661 E CB -0.060 29.749 29.700 0.181 0.000 0.774 661 E HN 0.376 nan 8.360 nan 0.000 0.506 662 D N 0.798 121.322 120.400 0.206 0.000 2.427 662 D HA -0.005 4.635 4.640 -0.000 0.000 0.226 662 D C 0.542 176.663 176.300 -0.298 0.000 1.076 662 D CA -0.442 53.574 54.000 0.026 0.000 0.849 662 D CB 0.522 41.404 40.800 0.138 0.000 1.052 662 D HN -0.067 nan 8.370 nan 0.000 0.515 663 N N 1.698 119.974 118.700 -0.706 0.000 2.519 663 N HA -0.144 4.596 4.740 -0.000 0.000 0.186 663 N C 0.928 175.883 175.510 -0.925 0.000 1.062 663 N CA 0.556 52.622 53.050 -1.640 0.000 0.910 663 N CB -0.147 37.315 38.487 -1.709 0.000 0.958 663 N HN 0.085 nan 8.380 nan 0.000 0.445 664 S N -0.706 114.655 115.700 -0.564 0.000 2.474 664 S HA -0.084 4.386 4.470 -0.000 0.000 0.235 664 S C 1.564 175.827 174.600 -0.562 0.000 0.997 664 S CA 1.362 59.209 58.200 -0.588 0.000 0.949 664 S CB -0.562 62.147 63.200 -0.818 0.000 0.766 664 S HN 0.819 nan 8.310 nan 0.000 0.517 665 T N -2.486 111.891 114.554 -0.296 0.000 3.081 665 T HA 0.043 4.393 4.350 -0.000 0.000 0.250 665 T C 1.110 176.004 174.700 0.323 0.000 1.100 665 T CA -0.159 61.956 62.100 0.026 0.000 1.038 665 T CB -0.271 68.758 68.868 0.269 0.000 0.962 665 T HN 0.364 nan 8.240 nan 0.000 0.516 666 W N 3.403 124.776 121.300 0.122 0.000 2.465 666 W HA 0.160 4.820 4.660 -0.000 0.000 0.268 666 W C 1.244 177.943 176.519 0.300 0.000 1.242 666 W CA 0.735 58.221 57.345 0.234 0.000 1.248 666 W CB -0.408 29.174 29.460 0.204 0.000 1.118 666 W HN 0.604 nan 8.180 nan 0.000 0.587 667 D N -1.656 119.001 120.400 0.428 0.000 2.513 667 D HA 0.049 4.688 4.640 -0.000 0.000 0.222 667 D C 0.006 176.542 176.300 0.393 0.000 1.210 667 D CA 0.030 54.260 54.000 0.383 0.000 0.825 667 D CB -0.649 40.308 40.800 0.263 0.000 1.037 667 D HN -0.243 nan 8.370 nan 0.000 0.506 668 V N 2.162 122.260 119.914 0.307 0.000 2.485 668 V HA 0.149 4.268 4.120 -0.000 0.000 0.287 668 V C 0.725 176.999 176.094 0.300 0.000 1.022 668 V CA 0.429 62.861 62.300 0.220 0.000 1.067 668 V CB 0.291 32.193 31.823 0.131 0.000 0.967 668 V HN 0.540 nan 8.190 nan 0.000 0.479 669 H N 1.568 120.734 119.070 0.160 0.000 3.480 669 H HA 0.295 4.851 4.556 -0.000 0.000 0.257 669 H C 0.857 176.261 175.328 0.127 0.000 1.196 669 H CA -0.321 55.813 56.048 0.145 0.000 1.100 669 H CB 0.269 30.160 29.762 0.215 0.000 1.683 669 H HN 0.479 nan 8.280 nan 0.000 0.702 670 Q N 0.641 120.313 119.800 -0.214 0.000 2.282 670 Q HA 0.257 4.597 4.340 -0.000 0.000 0.206 670 Q C -0.293 175.721 176.000 0.023 0.000 0.878 670 Q CA 0.231 55.963 55.803 -0.117 0.000 0.944 670 Q CB 1.269 29.885 28.738 -0.202 0.000 1.100 670 Q HN 0.607 nan 8.270 nan 0.000 0.509 671 Q N -0.059 119.791 119.800 0.084 0.000 2.495 671 Q HA 0.651 4.991 4.340 -0.000 0.000 0.287 671 Q C -1.123 175.056 176.000 0.298 0.000 1.078 671 Q CA -0.743 55.129 55.803 0.115 0.000 0.793 671 Q CB 2.361 31.090 28.738 -0.015 0.000 1.459 671 Q HN 0.096 nan 8.270 nan 0.000 0.422 672 F N -1.746 118.202 119.950 -0.003 0.000 2.779 672 F HA 0.715 5.242 4.527 -0.000 0.000 0.316 672 F C -2.045 173.811 175.800 0.094 0.000 1.164 672 F CA -1.369 56.659 58.000 0.046 0.000 0.924 672 F CB 1.069 40.105 39.000 0.060 0.000 1.348 672 F HN 0.305 nan 8.300 nan 0.000 0.467 673 L N 1.100 122.454 121.223 0.217 0.000 2.334 673 L HA 0.382 4.722 4.340 -0.000 0.000 0.273 673 L C -1.363 175.759 176.870 0.420 0.000 1.013 673 L CA -0.688 54.273 54.840 0.202 0.000 0.816 673 L CB 1.444 43.675 42.059 0.287 0.000 1.278 673 L HN 0.561 nan 8.230 nan 0.000 0.431 674 W N 2.808 124.188 121.300 0.134 0.000 2.416 674 W HA 0.503 5.163 4.660 -0.000 0.000 0.318 674 W C 0.925 177.592 176.519 0.246 0.000 1.150 674 W CA 0.159 57.638 57.345 0.224 0.000 1.392 674 W CB -0.002 29.665 29.460 0.345 0.000 1.311 674 W HN 0.804 nan 8.180 nan 0.000 0.436 675 G N 5.514 114.471 108.800 0.262 0.000 2.564 675 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.273 675 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.273 675 G C -1.450 173.582 174.900 0.219 0.000 1.242 675 G CA 0.065 45.267 45.100 0.170 0.000 0.951 675 G HN 0.316 nan 8.290 nan 0.000 0.564 676 P HA 0.155 nan 4.420 nan 0.000 0.240 676 P C 1.320 178.528 177.300 -0.152 0.000 1.190 676 P CA 2.010 65.077 63.100 -0.056 0.000 0.781 676 P CB 0.123 31.722 31.700 -0.169 0.000 0.931 677 G N -0.822 108.053 108.800 0.125 0.000 2.944 677 G HA2 0.254 4.214 3.960 -0.000 0.000 0.223 677 G HA3 0.254 4.214 3.960 -0.000 0.000 0.223 677 G C -0.144 175.109 174.900 0.588 0.000 1.071 677 G CA 0.189 45.436 45.100 0.246 0.000 0.806 677 G HN 0.212 nan 8.290 nan 0.000 0.538 678 L N 1.210 122.741 121.223 0.513 0.000 2.372 678 L HA 0.740 5.080 4.340 -0.000 0.000 0.274 678 L C -1.344 175.594 176.870 0.114 0.000 0.988 678 L CA -1.149 53.845 54.840 0.258 0.000 0.833 678 L CB 1.955 44.101 42.059 0.145 0.000 1.236 678 L HN -0.077 nan 8.230 nan 0.000 0.410 679 L N 6.285 127.527 121.223 0.032 0.000 2.275 679 L HA 0.645 4.985 4.340 -0.000 0.000 0.288 679 L C -0.984 175.653 176.870 -0.388 0.000 1.046 679 L CA 0.179 54.900 54.840 -0.199 0.000 0.805 679 L CB 1.046 42.828 42.059 -0.461 0.000 1.193 679 L HN 0.612 nan 8.230 nan 0.000 0.426 680 I N 4.167 124.406 120.570 -0.552 0.000 2.406 680 I HA 0.427 4.597 4.170 -0.000 0.000 0.290 680 I C -0.303 175.553 176.117 -0.435 0.000 0.999 680 I CA -0.034 60.855 61.300 -0.684 0.000 1.124 680 I CB 1.967 39.297 38.000 -1.118 0.000 1.289 680 I HN 0.528 nan 8.210 nan 0.000 0.441 681 T N 6.746 121.105 114.554 -0.325 0.000 3.141 681 T HA 0.355 4.704 4.350 -0.000 0.000 0.377 681 T C -2.615 171.983 174.700 -0.170 0.000 1.258 681 T CA -1.150 60.828 62.100 -0.204 0.000 1.263 681 T CB 0.798 69.553 68.868 -0.188 0.000 1.066 681 T HN 0.280 nan 8.240 nan 0.000 0.546 682 P HA 0.407 nan 4.420 nan 0.000 0.278 682 P C -0.438 176.826 177.300 -0.060 0.000 1.258 682 P CA -0.518 62.526 63.100 -0.094 0.000 0.811 682 P CB 1.077 32.751 31.700 -0.044 0.000 1.063 683 V N 2.905 122.798 119.914 -0.034 0.000 2.461 683 V HA 0.138 4.258 4.120 -0.000 0.000 0.275 683 V C 1.271 177.412 176.094 0.078 0.000 1.047 683 V CA 0.158 62.462 62.300 0.007 0.000 0.955 683 V CB 0.431 32.268 31.823 0.023 0.000 0.988 683 V HN 0.439 nan 8.190 nan 0.000 0.471 684 L N 3.237 124.506 121.223 0.076 0.000 3.135 684 L HA 0.434 4.773 4.340 -0.000 0.000 0.279 684 L C -0.332 176.653 176.870 0.193 0.000 1.200 684 L CA 0.077 55.003 54.840 0.143 0.000 1.016 684 L CB 0.612 42.689 42.059 0.029 0.000 1.391 684 L HN 0.559 nan 8.230 nan 0.000 0.588 685 D N 1.079 121.461 120.400 -0.029 0.000 2.362 685 D HA 0.156 4.796 4.640 -0.000 0.000 0.247 685 D C -0.502 175.216 176.300 -0.969 0.000 1.050 685 D CA -0.300 53.470 54.000 -0.383 0.000 0.839 685 D CB 2.371 43.018 40.800 -0.255 0.000 1.283 685 D HN 0.007 nan 8.370 nan 0.000 0.477 686 E N 0.367 119.622 120.200 -1.576 0.000 2.376 686 E HA 0.276 4.626 4.350 -0.000 0.000 0.266 686 E C 0.971 177.163 176.600 -0.680 0.000 1.009 686 E CA 0.448 55.856 56.400 -1.653 0.000 0.902 686 E CB 0.296 29.096 29.700 -1.499 0.000 0.972 686 E HN 0.686 nan 8.360 nan 0.000 0.439 687 G N 2.650 111.202 108.800 -0.414 0.000 2.253 687 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.251 687 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.251 687 G C 0.299 175.107 174.900 -0.152 0.000 0.998 687 G CA 0.074 45.051 45.100 -0.204 0.000 0.621 687 G HN 0.906 nan 8.290 nan 0.000 0.524 688 A N 0.139 122.844 122.820 -0.191 0.000 2.388 688 A HA 0.682 5.001 4.320 -0.000 0.000 0.257 688 A C 0.649 178.196 177.584 -0.062 0.000 1.095 688 A CA 0.750 52.713 52.037 -0.122 0.000 0.791 688 A CB 0.334 19.250 19.000 -0.140 0.000 1.029 688 A HN 0.451 nan 8.150 nan 0.000 0.489 689 E N 0.508 120.680 120.200 -0.047 0.000 2.887 689 E HA 0.193 4.542 4.350 -0.000 0.000 0.206 689 E C -0.909 175.677 176.600 -0.023 0.000 0.983 689 E CA 0.074 56.460 56.400 -0.023 0.000 1.141 689 E CB 0.500 30.191 29.700 -0.015 0.000 1.061 689 E HN 0.628 nan 8.360 nan 0.000 0.468 690 K N 0.252 120.629 120.400 -0.039 0.000 2.575 690 K HA 0.507 4.827 4.320 -0.000 0.000 0.279 690 K C -1.856 174.704 176.600 -0.067 0.000 0.969 690 K CA -0.716 55.542 56.287 -0.047 0.000 0.868 690 K CB 3.144 35.614 32.500 -0.049 0.000 1.457 690 K HN -0.090 nan 8.250 nan 0.000 0.426 691 V N 2.973 122.835 119.914 -0.087 0.000 2.733 691 V HA 0.450 4.570 4.120 -0.000 0.000 0.306 691 V C -1.324 174.686 176.094 -0.140 0.000 1.084 691 V CA -0.823 61.415 62.300 -0.103 0.000 0.905 691 V CB 1.910 33.675 31.823 -0.098 0.000 1.010 691 V HN 0.683 nan 8.190 nan 0.000 0.424 692 M N 5.498 125.022 119.600 -0.126 0.000 2.251 692 M HA 0.564 5.044 4.480 -0.000 0.000 0.346 692 M C 0.146 176.353 176.300 -0.155 0.000 1.499 692 M CA 0.457 55.671 55.300 -0.142 0.000 1.128 692 M CB 0.236 32.775 32.600 -0.102 0.000 1.809 692 M HN 0.881 nan 8.290 nan 0.000 0.464 693 A N 4.407 127.096 122.820 -0.218 0.000 2.469 693 A HA 0.684 5.004 4.320 -0.000 0.000 0.299 693 A C -1.793 175.664 177.584 -0.211 0.000 1.098 693 A CA -0.652 51.252 52.037 -0.222 0.000 0.737 693 A CB 1.411 20.221 19.000 -0.317 0.000 1.312 693 A HN 0.663 nan 8.150 nan 0.000 0.414 694 Y N 1.166 121.295 120.300 -0.284 0.000 2.320 694 Y HA 0.525 5.074 4.550 -0.000 0.000 0.334 694 Y C -0.486 175.185 175.900 -0.382 0.000 1.055 694 Y CA -0.451 57.479 58.100 -0.284 0.000 1.143 694 Y CB 1.547 39.895 38.460 -0.186 0.000 1.193 694 Y HN 0.396 nan 8.280 nan 0.000 0.477 695 V N 9.376 128.663 119.914 -1.045 0.000 2.328 695 V HA 0.336 4.456 4.120 -0.000 0.000 0.278 695 V C -2.179 173.351 176.094 -0.939 0.000 1.021 695 V CA -2.047 59.714 62.300 -0.898 0.000 0.838 695 V CB 0.970 32.411 31.823 -0.636 0.000 0.999 695 V HN 0.715 nan 8.190 nan 0.000 0.447 696 P HA 0.090 nan 4.420 nan 0.000 0.274 696 P C -0.367 176.839 177.300 -0.156 0.000 1.260 696 P CA -0.359 62.466 63.100 -0.458 0.000 0.793 696 P CB 0.523 31.525 31.700 -1.164 0.000 1.048 697 D N -0.238 120.078 120.400 -0.140 0.000 2.551 697 D HA 0.398 5.038 4.640 -0.000 0.000 0.223 697 D C -0.761 175.585 176.300 0.076 0.000 1.144 697 D CA 0.108 54.122 54.000 0.025 0.000 1.025 697 D CB -1.196 39.658 40.800 0.091 0.000 1.085 697 D HN 0.337 nan 8.370 nan 0.000 0.506 698 A N 1.505 124.326 122.820 0.002 0.000 2.588 698 A HA 0.590 4.909 4.320 -0.000 0.000 0.290 698 A C -1.007 176.357 177.584 -0.366 0.000 1.136 698 A CA -0.737 51.183 52.037 -0.195 0.000 0.681 698 A CB 1.122 19.872 19.000 -0.417 0.000 1.282 698 A HN 0.080 nan 8.150 nan 0.000 0.421 699 V N 0.279 119.964 119.914 -0.383 0.000 2.555 699 V HA 0.313 4.433 4.120 -0.000 0.000 0.286 699 V C -0.801 174.885 176.094 -0.680 0.000 1.044 699 V CA 0.562 62.628 62.300 -0.391 0.000 1.026 699 V CB 0.221 31.893 31.823 -0.252 0.000 0.981 699 V HN 0.716 nan 8.190 nan 0.000 0.480 700 W N 3.758 124.882 121.300 -0.293 0.000 2.844 700 W HA 0.677 5.337 4.660 -0.000 0.000 0.340 700 W C -1.051 175.221 176.519 -0.412 0.000 1.093 700 W CA -0.584 56.642 57.345 -0.197 0.000 1.212 700 W CB 1.540 30.945 29.460 -0.091 0.000 1.422 700 W HN 0.416 nan 8.180 nan 0.000 0.515 701 Y N 1.222 121.755 120.300 0.388 0.000 2.376 701 Y HA 0.155 4.705 4.550 -0.000 0.000 0.340 701 Y C 0.390 176.440 175.900 0.251 0.000 0.965 701 Y CA -1.317 56.926 58.100 0.239 0.000 1.078 701 Y CB 1.225 39.753 38.460 0.113 0.000 1.193 701 Y HN 0.299 nan 8.280 nan 0.000 0.452 702 D N 2.111 122.700 120.400 0.316 0.000 2.531 702 D HA -0.172 4.467 4.640 -0.000 0.000 0.239 702 D C 0.550 176.857 176.300 0.012 0.000 1.144 702 D CA 0.676 54.705 54.000 0.050 0.000 0.869 702 D CB 0.606 41.430 40.800 0.040 0.000 1.160 702 D HN 0.788 nan 8.370 nan 0.000 0.484 703 Y N 4.656 124.848 120.300 -0.181 0.000 2.114 703 Y HA -0.169 4.381 4.550 -0.000 0.000 0.284 703 Y C 1.983 177.830 175.900 -0.089 0.000 1.143 703 Y CA 1.674 59.687 58.100 -0.146 0.000 1.135 703 Y CB 0.170 38.508 38.460 -0.202 0.000 0.980 703 Y HN 0.531 nan 8.280 nan 0.000 0.499 704 E N -0.863 119.316 120.200 -0.035 0.000 2.047 704 E HA -0.167 4.183 4.350 -0.000 0.000 0.191 704 E C 2.117 178.638 176.600 -0.132 0.000 0.987 704 E CA 1.931 58.278 56.400 -0.088 0.000 0.799 704 E CB -0.212 29.540 29.700 0.087 0.000 0.752 704 E HN 0.642 nan 8.360 nan 0.000 0.449 705 T N -3.349 111.156 114.554 -0.082 0.000 3.054 705 T HA 0.183 4.533 4.350 -0.000 0.000 0.259 705 T C 1.651 176.297 174.700 -0.089 0.000 1.092 705 T CA 0.695 62.749 62.100 -0.076 0.000 1.121 705 T CB 0.512 69.353 68.868 -0.045 0.000 0.912 705 T HN 0.304 nan 8.240 nan 0.000 0.489 706 G N 1.559 110.310 108.800 -0.081 0.000 2.179 706 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.260 706 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.260 706 G C 0.320 175.267 174.900 0.079 0.000 0.977 706 G CA 0.503 45.569 45.100 -0.058 0.000 0.641 706 G HN 1.388 nan 8.290 nan 0.000 0.533 707 S N -0.334 115.412 115.700 0.076 0.000 2.565 707 S HA 0.534 5.004 4.470 -0.000 0.000 0.276 707 S C 0.258 174.958 174.600 0.167 0.000 1.326 707 S CA 0.359 58.620 58.200 0.103 0.000 1.045 707 S CB 1.646 64.848 63.200 0.003 0.000 0.918 707 S HN 0.673 nan 8.310 nan 0.000 0.505 708 Q N 2.289 122.170 119.800 0.136 0.000 2.297 708 Q HA 0.339 4.679 4.340 -0.000 0.000 0.267 708 Q C 0.088 176.002 176.000 -0.143 0.000 1.006 708 Q CA -0.757 55.001 55.803 -0.076 0.000 0.896 708 Q CB 0.643 29.320 28.738 -0.103 0.000 1.186 708 Q HN 0.790 nan 8.270 nan 0.000 0.392 709 V N 2.663 122.469 119.914 -0.180 0.000 2.881 709 V HA 0.222 4.342 4.120 -0.000 0.000 0.303 709 V C 0.980 176.869 176.094 -0.342 0.000 1.070 709 V CA -0.515 61.572 62.300 -0.354 0.000 1.074 709 V CB 1.454 33.054 31.823 -0.372 0.000 1.012 709 V HN 0.866 nan 8.190 nan 0.000 0.482 710 R N 1.539 121.727 120.500 -0.520 0.000 2.115 710 R HA 0.067 4.406 4.340 -0.000 0.000 0.226 710 R C 0.633 176.850 176.300 -0.139 0.000 1.100 710 R CA 0.385 56.300 56.100 -0.309 0.000 0.980 710 R CB -0.193 29.927 30.300 -0.301 0.000 0.875 710 R HN 0.832 nan 8.270 nan 0.000 0.445 711 W N 2.043 123.288 121.300 -0.093 0.000 2.293 711 W HA 0.080 4.740 4.660 -0.000 0.000 0.342 711 W C 0.766 177.229 176.519 -0.095 0.000 1.274 711 W CA -0.098 57.172 57.345 -0.125 0.000 1.290 711 W CB -0.208 29.132 29.460 -0.200 0.000 1.176 711 W HN -0.005 nan 8.180 nan 0.000 0.570 712 R N 2.145 122.714 120.500 0.116 0.000 2.647 712 R HA 0.095 4.434 4.340 -0.000 0.000 0.260 712 R C -0.086 176.178 176.300 -0.060 0.000 1.154 712 R CA -0.826 55.300 56.100 0.042 0.000 1.029 712 R CB 0.669 30.994 30.300 0.043 0.000 1.262 712 R HN 0.553 nan 8.270 nan 0.000 0.437 713 K N 2.874 123.179 120.400 -0.159 0.000 3.257 713 K HA -0.245 4.074 4.320 -0.000 0.000 0.270 713 K C -1.481 174.998 176.600 -0.202 0.000 0.984 713 K CA 1.871 58.052 56.287 -0.177 0.000 0.739 713 K CB -0.737 31.762 32.500 -0.002 0.000 1.351 713 K HN 0.761 nan 8.250 nan 0.000 0.463 714 Q N -0.666 118.838 119.800 -0.494 0.000 2.472 714 Q HA 0.367 4.707 4.340 -0.000 0.000 0.281 714 Q C -1.405 174.348 176.000 -0.412 0.000 0.997 714 Q CA -1.393 54.249 55.803 -0.268 0.000 0.828 714 Q CB 1.033 29.686 28.738 -0.142 0.000 1.443 714 Q HN 0.034 nan 8.270 nan 0.000 0.390 715 K N 0.985 121.321 120.400 -0.106 0.000 2.326 715 K HA 0.435 4.755 4.320 -0.000 0.000 0.275 715 K C -0.165 176.256 176.600 -0.300 0.000 1.018 715 K CA -0.143 56.067 56.287 -0.127 0.000 0.962 715 K CB 1.230 33.718 32.500 -0.021 0.000 0.953 715 K HN 0.513 nan 8.250 nan 0.000 0.475 716 V N -0.671 118.976 119.914 -0.446 0.000 3.078 716 V HA 0.410 4.530 4.120 -0.000 0.000 0.311 716 V C -0.980 174.848 176.094 -0.443 0.000 1.138 716 V CA -1.056 60.881 62.300 -0.605 0.000 1.007 716 V CB 1.876 32.860 31.823 -1.397 0.000 1.045 716 V HN 0.883 nan 8.190 nan 0.000 0.432 717 E N 4.209 124.219 120.200 -0.317 0.000 2.081 717 E HA 0.495 4.844 4.350 -0.000 0.000 0.276 717 E C -0.651 175.822 176.600 -0.211 0.000 0.950 717 E CA -0.655 55.614 56.400 -0.218 0.000 0.776 717 E CB 1.690 31.322 29.700 -0.113 0.000 1.094 717 E HN 0.842 nan 8.360 nan 0.000 0.402 718 M N 3.735 123.185 119.600 -0.251 0.000 2.146 718 M HA 0.122 4.602 4.480 -0.000 0.000 0.357 718 M C -0.184 176.106 176.300 -0.017 0.000 1.261 718 M CA -0.311 54.899 55.300 -0.151 0.000 1.106 718 M CB 1.075 33.539 32.600 -0.226 0.000 1.612 718 M HN 0.643 nan 8.290 nan 0.000 0.470 719 E N 5.967 126.214 120.200 0.078 0.000 2.217 719 E HA 0.256 4.606 4.350 -0.000 0.000 0.279 719 E C -1.641 174.987 176.600 0.047 0.000 1.068 719 E CA -0.073 56.359 56.400 0.054 0.000 0.882 719 E CB 0.465 30.209 29.700 0.074 0.000 1.039 719 E HN 0.691 nan 8.360 nan 0.000 0.418 720 L N 7.499 128.733 121.223 0.017 0.000 2.490 720 L HA 0.349 4.689 4.340 -0.000 0.000 0.256 720 L C -2.322 174.556 176.870 0.013 0.000 1.089 720 L CA -2.020 52.829 54.840 0.016 0.000 0.916 720 L CB 1.435 43.490 42.059 -0.006 0.000 1.188 720 L HN 0.402 nan 8.230 nan 0.000 0.476 721 P HA 0.047 nan 4.420 nan 0.000 0.274 721 P C 1.143 178.459 177.300 0.026 0.000 1.264 721 P CA -0.128 62.982 63.100 0.018 0.000 0.795 721 P CB 0.711 32.420 31.700 0.015 0.000 1.064 722 G N 0.681 109.497 108.800 0.026 0.000 2.485 722 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.221 722 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.221 722 G C 0.672 175.600 174.900 0.047 0.000 1.115 722 G CA 0.998 46.119 45.100 0.036 0.000 0.751 722 G HN 0.646 nan 8.290 nan 0.000 0.567 723 D N -1.113 119.316 120.400 0.049 0.000 2.363 723 D HA 0.122 4.762 4.640 -0.000 0.000 0.214 723 D C 0.444 176.853 176.300 0.182 0.000 1.093 723 D CA 0.039 54.086 54.000 0.079 0.000 0.837 723 D CB 0.330 41.138 40.800 0.012 0.000 0.948 723 D HN -0.014 nan 8.370 nan 0.000 0.507 724 K N 0.712 121.192 120.400 0.134 0.000 2.259 724 K HA 0.534 4.853 4.320 -0.000 0.000 0.252 724 K C -0.679 175.909 176.600 -0.020 0.000 0.936 724 K CA -0.839 55.541 56.287 0.156 0.000 0.810 724 K CB 2.938 35.500 32.500 0.104 0.000 1.143 724 K HN 0.113 nan 8.250 nan 0.000 0.427 725 I N -0.394 120.062 120.570 -0.190 0.000 2.646 725 I HA 0.438 4.608 4.170 -0.000 0.000 0.299 725 I C -0.016 175.957 176.117 -0.240 0.000 1.036 725 I CA -0.613 60.502 61.300 -0.308 0.000 1.074 725 I CB 1.917 39.588 38.000 -0.549 0.000 1.258 725 I HN 0.636 nan 8.210 nan 0.000 0.430 726 G N 7.485 116.164 108.800 -0.200 0.000 2.361 726 G HA2 0.497 4.457 3.960 -0.000 0.000 0.260 726 G HA3 0.497 4.457 3.960 -0.000 0.000 0.260 726 G C -1.006 173.704 174.900 -0.318 0.000 1.261 726 G CA -0.331 44.681 45.100 -0.148 0.000 0.897 726 G HN 0.539 nan 8.290 nan 0.000 0.499 727 L N 2.847 123.814 121.223 -0.427 0.000 2.441 727 L HA 0.404 4.744 4.340 -0.000 0.000 0.270 727 L C -0.980 175.553 176.870 -0.562 0.000 0.973 727 L CA -0.827 53.713 54.840 -0.500 0.000 0.842 727 L CB 2.152 43.889 42.059 -0.536 0.000 1.239 727 L HN 0.600 nan 8.230 nan 0.000 0.406 728 H N 2.795 121.800 119.070 -0.110 0.000 2.717 728 H HA 0.636 5.192 4.556 -0.000 0.000 0.366 728 H C -0.949 174.530 175.328 0.251 0.000 1.132 728 H CA -0.496 55.612 56.048 0.100 0.000 1.180 728 H CB 2.333 32.130 29.762 0.059 0.000 1.678 728 H HN 0.361 nan 8.280 nan 0.000 0.537 729 L N 2.042 123.522 121.223 0.430 0.000 2.325 729 L HA 0.503 4.843 4.340 -0.000 0.000 0.278 729 L C 0.267 177.470 176.870 0.555 0.000 1.023 729 L CA -0.769 54.257 54.840 0.309 0.000 0.811 729 L CB 1.584 43.633 42.059 -0.017 0.000 1.249 729 L HN 0.416 nan 8.230 nan 0.000 0.431 730 R N 1.342 122.114 120.500 0.453 0.000 2.254 730 R HA 0.371 4.710 4.340 -0.000 0.000 0.318 730 R C 0.136 176.642 176.300 0.344 0.000 1.031 730 R CA -0.424 55.666 56.100 -0.016 0.000 0.905 730 R CB 1.171 31.364 30.300 -0.179 0.000 1.050 730 R HN 0.818 nan 8.270 nan 0.000 0.456 731 G N 1.455 110.360 108.800 0.176 0.000 2.353 731 G HA2 0.330 4.290 3.960 -0.000 0.000 0.239 731 G HA3 0.330 4.290 3.960 -0.000 0.000 0.239 731 G C 0.820 175.871 174.900 0.252 0.000 1.295 731 G CA 0.352 45.644 45.100 0.320 0.000 0.884 731 G HN 0.946 nan 8.290 nan 0.000 0.537 732 G N 0.418 109.318 108.800 0.167 0.000 2.184 732 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.206 732 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.206 732 G C -0.025 174.604 174.900 -0.451 0.000 0.995 732 G CA 0.290 45.325 45.100 -0.108 0.000 0.651 732 G HN 0.824 nan 8.290 nan 0.000 0.511 733 Y N -0.352 119.974 120.300 0.043 0.000 2.499 733 Y HA 0.743 5.293 4.550 -0.000 0.000 0.347 733 Y C 0.394 176.158 175.900 -0.225 0.000 0.987 733 Y CA -1.104 56.901 58.100 -0.157 0.000 1.044 733 Y CB 1.719 39.961 38.460 -0.363 0.000 1.245 733 Y HN 0.084 nan 8.280 nan 0.000 0.461 734 I N 3.431 123.890 120.570 -0.184 0.000 2.378 734 I HA 0.366 4.536 4.170 -0.000 0.000 0.291 734 I C -1.348 174.651 176.117 -0.197 0.000 0.992 734 I CA -0.561 60.693 61.300 -0.076 0.000 1.154 734 I CB 1.122 39.148 38.000 0.043 0.000 1.315 734 I HN 0.402 nan 8.210 nan 0.000 0.448 735 F N 7.224 127.216 119.950 0.070 0.000 2.427 735 F HA 0.441 4.968 4.527 -0.000 0.000 0.348 735 F C -2.197 173.684 175.800 0.135 0.000 1.125 735 F CA -2.420 55.615 58.000 0.058 0.000 0.989 735 F CB 1.364 40.307 39.000 -0.095 0.000 1.165 735 F HN 0.204 nan 8.300 nan 0.000 0.442 736 P HA 0.272 nan 4.420 nan 0.000 0.279 736 P C -0.581 176.977 177.300 0.430 0.000 1.239 736 P CA -0.245 63.101 63.100 0.410 0.000 0.789 736 P CB 1.687 33.730 31.700 0.571 0.000 0.933 737 T N -0.814 113.940 114.554 0.333 0.000 2.883 737 T HA 0.576 4.926 4.350 -0.000 0.000 0.296 737 T C -1.105 173.715 174.700 0.200 0.000 1.117 737 T CA -0.784 61.495 62.100 0.298 0.000 1.006 737 T CB 1.967 70.985 68.868 0.251 0.000 1.191 737 T HN 0.480 nan 8.240 nan 0.000 0.508 738 Q N 0.558 120.479 119.800 0.203 0.000 2.331 738 Q HA 0.333 4.673 4.340 -0.000 0.000 0.272 738 Q C -1.014 175.073 176.000 0.145 0.000 1.062 738 Q CA -0.683 55.194 55.803 0.124 0.000 0.806 738 Q CB 1.980 30.803 28.738 0.140 0.000 1.312 738 Q HN 0.740 nan 8.270 nan 0.000 0.431 739 Q N 4.409 124.264 119.800 0.091 0.000 2.286 739 Q HA 0.116 4.455 4.340 -0.000 0.000 0.290 739 Q C -2.054 174.025 176.000 0.132 0.000 1.049 739 Q CA -0.983 54.877 55.803 0.094 0.000 0.923 739 Q CB 0.177 28.947 28.738 0.052 0.000 1.183 739 Q HN 0.419 nan 8.270 nan 0.000 0.383 740 P HA 0.133 nan 4.420 nan 0.000 0.276 740 P C -0.625 176.761 177.300 0.143 0.000 1.252 740 P CA -0.228 62.991 63.100 0.198 0.000 0.802 740 P CB 0.994 32.793 31.700 0.165 0.000 1.035 741 N N -1.336 117.469 118.700 0.175 0.000 3.243 741 N HA 0.158 4.897 4.740 -0.000 0.000 0.280 741 N C 0.549 176.103 175.510 0.073 0.000 1.545 741 N CA -0.239 52.871 53.050 0.100 0.000 0.854 741 N CB 0.585 39.136 38.487 0.107 0.000 1.612 741 N HN 0.331 nan 8.380 nan 0.000 0.577 742 T N -2.926 111.649 114.554 0.034 0.000 3.100 742 T HA 0.168 4.518 4.350 -0.000 0.000 0.253 742 T C 0.679 175.432 174.700 0.089 0.000 1.118 742 T CA 0.844 62.933 62.100 -0.018 0.000 1.058 742 T CB -0.579 68.288 68.868 -0.000 0.000 0.953 742 T HN 0.611 nan 8.240 nan 0.000 0.515 743 T N -1.351 113.310 114.554 0.179 0.000 2.906 743 T HA 0.487 4.836 4.350 -0.000 0.000 0.295 743 T C 1.155 176.036 174.700 0.303 0.000 1.061 743 T CA -0.070 62.174 62.100 0.240 0.000 1.000 743 T CB 1.777 70.692 68.868 0.079 0.000 1.103 743 T HN 0.089 nan 8.240 nan 0.000 0.486 744 T N 0.205 114.931 114.554 0.286 0.000 2.915 744 T HA -0.095 4.255 4.350 -0.000 0.000 0.269 744 T C 1.890 176.690 174.700 0.168 0.000 1.071 744 T CA 1.018 63.268 62.100 0.250 0.000 1.132 744 T CB -0.539 68.492 68.868 0.271 0.000 0.878 744 T HN 0.477 nan 8.240 nan 0.000 0.479 745 L N 1.584 122.870 121.223 0.106 0.000 2.042 745 L HA 0.126 4.466 4.340 -0.000 0.000 0.210 745 L C 2.751 179.648 176.870 0.045 0.000 1.076 745 L CA 2.047 56.910 54.840 0.039 0.000 0.749 745 L CB -1.002 41.049 42.059 -0.013 0.000 0.893 745 L HN 0.347 nan 8.230 nan 0.000 0.432 746 A N -1.151 121.711 122.820 0.069 0.000 1.903 746 A HA -0.086 4.234 4.320 -0.000 0.000 0.213 746 A C 2.450 180.093 177.584 0.097 0.000 1.185 746 A CA 1.304 53.380 52.037 0.065 0.000 0.628 746 A CB -1.014 18.020 19.000 0.057 0.000 0.830 746 A HN 0.627 nan 8.150 nan 0.000 0.446 747 S N 0.360 116.154 115.700 0.156 0.000 2.383 747 S HA -0.214 4.256 4.470 -0.000 0.000 0.229 747 S C 1.885 176.586 174.600 0.168 0.000 1.030 747 S CA 1.329 59.643 58.200 0.190 0.000 1.002 747 S CB -0.571 62.809 63.200 0.299 0.000 0.829 747 S HN 0.564 nan 8.310 nan 0.000 0.467 748 R N 1.266 121.853 120.500 0.146 0.000 2.303 748 R HA 0.074 4.414 4.340 -0.000 0.000 0.225 748 R C 1.746 178.125 176.300 0.131 0.000 1.114 748 R CA 1.145 57.330 56.100 0.140 0.000 1.007 748 R CB -0.177 30.105 30.300 -0.030 0.000 0.861 748 R HN 0.540 nan 8.270 nan 0.000 0.471 749 K N -0.371 120.075 120.400 0.077 0.000 2.374 749 K HA 0.084 4.403 4.320 -0.000 0.000 0.196 749 K C 0.058 176.665 176.600 0.010 0.000 1.023 749 K CA -0.093 56.218 56.287 0.041 0.000 1.103 749 K CB 0.309 32.827 32.500 0.029 0.000 0.848 749 K HN 0.059 nan 8.250 nan 0.000 0.528 750 N N 1.417 120.127 118.700 0.016 0.000 2.476 750 N HA 0.226 4.966 4.740 -0.000 0.000 0.275 750 N C -2.655 172.818 175.510 -0.061 0.000 1.190 750 N CA -2.077 50.970 53.050 -0.005 0.000 0.977 750 N CB 0.461 38.967 38.487 0.032 0.000 1.200 750 N HN -0.210 nan 8.380 nan 0.000 0.515 751 P HA 0.118 nan 4.420 nan 0.000 0.269 751 P C -0.408 176.810 177.300 -0.136 0.000 1.217 751 P CA 0.195 63.227 63.100 -0.113 0.000 0.783 751 P CB 0.610 32.269 31.700 -0.069 0.000 0.898 752 L N 0.628 121.706 121.223 -0.242 0.000 2.331 752 L HA 0.851 5.191 4.340 -0.000 0.000 0.268 752 L C 0.949 177.804 176.870 -0.024 0.000 1.015 752 L CA -0.498 54.191 54.840 -0.250 0.000 0.807 752 L CB 1.437 43.044 42.059 -0.753 0.000 1.293 752 L HN 0.414 nan 8.230 nan 0.000 0.451 753 G N 0.294 109.180 108.800 0.143 0.000 2.672 753 G HA2 0.737 4.697 3.960 -0.000 0.000 0.292 753 G HA3 0.737 4.697 3.960 -0.000 0.000 0.292 753 G C -1.657 173.380 174.900 0.229 0.000 1.375 753 G CA -0.598 44.618 45.100 0.193 0.000 0.890 753 G HN 0.340 nan 8.290 nan 0.000 0.476 754 L N 0.316 121.564 121.223 0.042 0.000 2.362 754 L HA 0.575 4.915 4.340 -0.000 0.000 0.271 754 L C -0.655 176.191 176.870 -0.040 0.000 1.002 754 L CA -0.822 53.957 54.840 -0.102 0.000 0.818 754 L CB 2.329 44.146 42.059 -0.405 0.000 1.298 754 L HN 0.313 nan 8.230 nan 0.000 0.420 755 I N 3.920 124.517 120.570 0.045 0.000 2.355 755 I HA 0.365 4.535 4.170 -0.000 0.000 0.288 755 I C -0.410 175.775 176.117 0.113 0.000 0.999 755 I CA -0.270 61.058 61.300 0.046 0.000 1.163 755 I CB 1.685 39.715 38.000 0.050 0.000 1.316 755 I HN 0.394 nan 8.210 nan 0.000 0.454 756 I N 6.227 126.799 120.570 0.004 0.000 2.306 756 I HA 0.383 4.553 4.170 -0.000 0.000 0.288 756 I C 0.412 176.521 176.117 -0.014 0.000 1.036 756 I CA -0.301 61.012 61.300 0.022 0.000 1.221 756 I CB 1.280 39.265 38.000 -0.026 0.000 1.385 756 I HN 0.609 nan 8.210 nan 0.000 0.472 757 A N 8.333 131.215 122.820 0.104 0.000 2.366 757 A HA 0.572 4.891 4.320 -0.000 0.000 0.322 757 A C -0.121 177.541 177.584 0.130 0.000 1.397 757 A CA -0.470 51.566 52.037 -0.001 0.000 0.984 757 A CB 0.038 19.229 19.000 0.318 0.000 1.149 757 A HN 0.698 nan 8.150 nan 0.000 0.540 758 L N 2.666 123.928 121.223 0.065 0.000 2.426 758 L HA 0.188 4.528 4.340 -0.000 0.000 0.271 758 L C 0.660 177.668 176.870 0.230 0.000 1.169 758 L CA -0.555 54.374 54.840 0.148 0.000 0.836 758 L CB 0.485 42.621 42.059 0.128 0.000 1.112 758 L HN 0.866 nan 8.230 nan 0.000 0.465 759 D N 0.916 121.398 120.400 0.137 0.000 2.478 759 D HA 0.057 4.697 4.640 -0.000 0.000 0.274 759 D C 0.697 177.046 176.300 0.082 0.000 1.234 759 D CA -0.498 53.561 54.000 0.100 0.000 1.069 759 D CB 0.495 41.324 40.800 0.048 0.000 1.113 759 D HN 0.463 nan 8.370 nan 0.000 0.571 760 E N -0.873 119.356 120.200 0.049 0.000 2.160 760 E HA -0.138 4.212 4.350 -0.000 0.000 0.195 760 E C 0.912 177.535 176.600 0.039 0.000 0.991 760 E CA 1.122 57.545 56.400 0.038 0.000 0.810 760 E CB -0.312 29.402 29.700 0.023 0.000 0.742 760 E HN 0.335 nan 8.360 nan 0.000 0.466 761 N N 0.907 119.630 118.700 0.038 0.000 2.434 761 N HA -0.007 4.733 4.740 -0.000 0.000 0.196 761 N C -0.486 175.053 175.510 0.048 0.000 1.183 761 N CA 0.241 53.312 53.050 0.035 0.000 0.849 761 N CB 0.408 38.911 38.487 0.027 0.000 0.992 761 N HN 0.013 nan 8.380 nan 0.000 0.460 762 K N 0.052 120.492 120.400 0.068 0.000 3.071 762 K HA -0.198 4.121 4.320 -0.000 0.000 0.265 762 K C -0.557 176.105 176.600 0.103 0.000 1.060 762 K CA 0.804 57.150 56.287 0.099 0.000 0.767 762 K CB -1.954 30.608 32.500 0.105 0.000 1.241 762 K HN 0.528 nan 8.250 nan 0.000 0.486 763 E N -0.621 119.622 120.200 0.071 0.000 2.281 763 E HA 0.811 5.161 4.350 -0.000 0.000 0.262 763 E C -0.569 176.048 176.600 0.028 0.000 0.933 763 E CA -0.695 55.735 56.400 0.049 0.000 0.809 763 E CB 2.033 31.744 29.700 0.018 0.000 1.242 763 E HN 0.314 nan 8.360 nan 0.000 0.418 764 A N 1.482 124.304 122.820 0.004 0.000 2.599 764 A HA 0.579 4.899 4.320 -0.000 0.000 0.294 764 A C -1.588 175.965 177.584 -0.051 0.000 1.055 764 A CA -0.811 51.197 52.037 -0.048 0.000 0.683 764 A CB 1.489 20.499 19.000 0.016 0.000 1.278 764 A HN 0.422 nan 8.150 nan 0.000 0.412 765 K N -0.059 120.261 120.400 -0.134 0.000 2.508 765 K HA 0.766 5.085 4.320 -0.000 0.000 0.260 765 K C -0.230 176.370 176.600 0.001 0.000 0.949 765 K CA -0.423 55.834 56.287 -0.049 0.000 0.834 765 K CB 2.890 35.344 32.500 -0.077 0.000 1.365 765 K HN 1.417 nan 8.250 nan 0.000 0.437 766 G N 0.574 109.468 108.800 0.158 0.000 2.606 766 G HA2 0.532 4.492 3.960 -0.000 0.000 0.300 766 G HA3 0.532 4.492 3.960 -0.000 0.000 0.300 766 G C -1.860 173.197 174.900 0.263 0.000 1.360 766 G CA -0.677 44.584 45.100 0.268 0.000 0.783 766 G HN 0.653 nan 8.290 nan 0.000 0.484 767 E N -1.779 118.613 120.200 0.320 0.000 2.423 767 E HA 0.646 4.995 4.350 -0.000 0.000 0.280 767 E C -2.232 174.554 176.600 0.310 0.000 1.030 767 E CA -1.027 55.415 56.400 0.070 0.000 0.812 767 E CB 2.445 32.225 29.700 0.133 0.000 1.313 767 E HN 0.824 nan 8.360 nan 0.000 0.456 768 L N 1.765 123.103 121.223 0.192 0.000 2.470 768 L HA 0.572 4.912 4.340 -0.000 0.000 0.268 768 L C -1.918 175.165 176.870 0.355 0.000 0.964 768 L CA -0.652 54.446 54.840 0.430 0.000 0.839 768 L CB 1.742 44.166 42.059 0.609 0.000 1.276 768 L HN 0.672 nan 8.230 nan 0.000 0.403 769 F N 5.597 125.681 119.950 0.224 0.000 2.404 769 F HA 0.646 5.173 4.527 -0.000 0.000 0.339 769 F C -1.332 174.694 175.800 0.376 0.000 1.105 769 F CA -0.231 57.781 58.000 0.020 0.000 1.087 769 F CB 0.921 39.648 39.000 -0.455 0.000 1.143 769 F HN 0.610 nan 8.300 nan 0.000 0.491 770 W N 8.585 129.427 121.300 -0.764 0.000 3.259 770 W HA 0.288 4.948 4.660 -0.000 0.000 0.331 770 W C -1.802 174.343 176.519 -0.624 0.000 1.144 770 W CA -0.666 56.409 57.345 -0.450 0.000 1.227 770 W CB 1.944 31.373 29.460 -0.051 0.000 1.371 770 W HN 0.752 nan 8.180 nan 0.000 0.491 771 D N 1.365 121.200 120.400 -0.942 0.000 2.867 771 D HA 0.137 4.777 4.640 -0.000 0.000 0.308 771 D C 0.437 176.047 176.300 -1.150 0.000 1.202 771 D CA -0.245 53.170 54.000 -0.974 0.000 1.035 771 D CB 0.227 40.681 40.800 -0.576 0.000 1.427 771 D HN 0.282 nan 8.370 nan 0.000 0.570 772 D N -1.667 118.089 120.400 -1.073 0.000 2.349 772 D HA 0.168 4.808 4.640 -0.000 0.000 0.224 772 D C 1.573 177.609 176.300 -0.440 0.000 1.029 772 D CA 0.951 54.564 54.000 -0.646 0.000 0.879 772 D CB -0.279 40.290 40.800 -0.386 0.000 0.906 772 D HN 0.887 nan 8.370 nan 0.000 0.528 773 G N 0.704 109.259 108.800 -0.408 0.000 2.179 773 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.260 773 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.260 773 G C 0.726 175.541 174.900 -0.142 0.000 0.977 773 G CA 0.621 45.523 45.100 -0.330 0.000 0.641 773 G HN 0.588 nan 8.290 nan 0.000 0.533 774 E N -1.802 118.331 120.200 -0.112 0.000 2.617 774 E HA 0.153 4.503 4.350 -0.000 0.000 0.208 774 E C 0.279 176.851 176.600 -0.046 0.000 0.888 774 E CA 0.284 56.650 56.400 -0.057 0.000 1.485 774 E CB 0.184 29.888 29.700 0.006 0.000 1.482 774 E HN 0.247 nan 8.360 nan 0.000 0.813 775 T N 2.360 116.880 114.554 -0.057 0.000 2.870 775 T HA 0.128 4.478 4.350 -0.000 0.000 0.300 775 T C -0.207 174.478 174.700 -0.025 0.000 0.989 775 T CA -0.116 61.965 62.100 -0.032 0.000 1.139 775 T CB 1.458 70.307 68.868 -0.032 0.000 0.920 775 T HN 0.052 nan 8.240 nan 0.000 0.537 776 K N 2.170 122.563 120.400 -0.012 0.000 2.326 776 K HA 0.034 4.354 4.320 -0.000 0.000 0.275 776 K C 0.003 176.611 176.600 0.013 0.000 1.018 776 K CA -0.209 56.069 56.287 -0.014 0.000 0.962 776 K CB 0.302 32.801 32.500 -0.001 0.000 0.953 776 K HN 0.611 nan 8.250 nan 0.000 0.475 777 D N 1.731 122.142 120.400 0.018 0.000 2.945 777 D HA -0.157 4.482 4.640 -0.000 0.000 0.225 777 D C 0.867 177.230 176.300 0.106 0.000 1.158 777 D CA 1.477 55.522 54.000 0.074 0.000 0.805 777 D CB -1.326 39.518 40.800 0.073 0.000 1.098 777 D HN 0.868 nan 8.370 nan 0.000 0.426 778 T N -3.723 110.890 114.554 0.099 0.000 2.881 778 T HA -0.100 4.250 4.350 -0.000 0.000 0.270 778 T C 1.939 176.818 174.700 0.298 0.000 1.068 778 T CA 1.411 63.602 62.100 0.152 0.000 1.131 778 T CB -0.080 68.847 68.868 0.097 0.000 0.871 778 T HN 0.185 nan 8.240 nan 0.000 0.479 779 V N 1.935 122.005 119.914 0.261 0.000 2.302 779 V HA 0.101 4.220 4.120 -0.000 0.000 0.243 779 V C 3.247 179.533 176.094 0.321 0.000 1.036 779 V CA 1.273 63.761 62.300 0.313 0.000 1.020 779 V CB -1.399 30.565 31.823 0.234 0.000 0.657 779 V HN 0.614 nan 8.190 nan 0.000 0.453 780 A N 0.621 123.572 122.820 0.218 0.000 1.948 780 A HA -0.276 4.044 4.320 -0.000 0.000 0.220 780 A C 1.831 179.508 177.584 0.156 0.000 1.177 780 A CA 2.480 54.610 52.037 0.156 0.000 0.636 780 A CB -0.839 18.229 19.000 0.113 0.000 0.815 780 A HN 0.721 nan 8.150 nan 0.000 0.449 781 N N -0.379 118.420 118.700 0.165 0.000 2.322 781 N HA 0.071 4.811 4.740 -0.000 0.000 0.194 781 N C -0.616 174.980 175.510 0.143 0.000 1.126 781 N CA -0.068 53.059 53.050 0.130 0.000 0.845 781 N CB 0.223 38.771 38.487 0.102 0.000 0.976 781 N HN 0.156 nan 8.380 nan 0.000 0.475 782 K N 0.225 120.760 120.400 0.225 0.000 3.278 782 K HA -0.146 4.174 4.320 -0.000 0.000 0.270 782 K C -1.029 175.607 176.600 0.058 0.000 0.955 782 K CA 0.364 56.745 56.287 0.158 0.000 0.723 782 K CB -2.120 30.395 32.500 0.025 0.000 1.382 782 K HN 0.061 nan 8.250 nan 0.000 0.461 783 V N 2.108 122.140 119.914 0.197 0.000 2.235 783 V HA 0.398 4.518 4.120 -0.000 0.000 0.266 783 V C -0.266 175.960 176.094 0.221 0.000 1.055 783 V CA -0.591 61.795 62.300 0.143 0.000 0.844 783 V CB -0.645 31.256 31.823 0.130 0.000 1.097 783 V HN 0.401 nan 8.190 nan 0.000 0.453 784 Y N 2.371 122.713 120.300 0.070 0.000 2.725 784 Y HA 0.829 5.379 4.550 -0.000 0.000 0.333 784 Y C -1.592 174.330 175.900 0.037 0.000 1.242 784 Y CA -1.849 56.232 58.100 -0.032 0.000 1.059 784 Y CB 1.704 40.095 38.460 -0.114 0.000 1.306 784 Y HN 0.243 nan 8.280 nan 0.000 0.454 785 L N 2.626 123.963 121.223 0.190 0.000 2.329 785 L HA 0.794 5.134 4.340 -0.000 0.000 0.279 785 L C -1.805 175.188 176.870 0.205 0.000 1.014 785 L CA -0.855 54.082 54.840 0.163 0.000 0.814 785 L CB 1.586 43.781 42.059 0.227 0.000 1.257 785 L HN 0.757 nan 8.230 nan 0.000 0.424 786 L N 6.418 127.753 121.223 0.186 0.000 2.404 786 L HA 0.687 5.027 4.340 -0.000 0.000 0.272 786 L C -0.753 176.174 176.870 0.095 0.000 0.980 786 L CA -0.192 54.766 54.840 0.197 0.000 0.836 786 L CB 1.226 43.474 42.059 0.315 0.000 1.238 786 L HN 0.943 nan 8.230 nan 0.000 0.408 787 C N 1.377 120.691 119.300 0.022 0.000 2.719 787 C HA 0.924 5.384 4.460 -0.000 0.000 0.327 787 C C -0.401 174.365 174.990 -0.374 0.000 1.238 787 C CA -0.823 58.114 59.018 -0.135 0.000 1.727 787 C CB 1.603 29.278 27.740 -0.110 0.000 2.256 787 C HN 0.866 nan 8.230 nan 0.000 0.489 788 E N 0.199 120.160 120.200 -0.399 0.000 2.238 788 E HA 0.678 5.027 4.350 -0.000 0.000 0.267 788 E C -1.675 174.657 176.600 -0.446 0.000 0.887 788 E CA -0.208 55.970 56.400 -0.371 0.000 0.769 788 E CB 1.801 31.436 29.700 -0.109 0.000 1.187 788 E HN 0.569 nan 8.360 nan 0.000 0.416 789 F N 0.957 120.937 119.950 0.051 0.000 2.495 789 F HA 0.511 5.038 4.527 -0.000 0.000 0.327 789 F C -0.018 175.790 175.800 0.014 0.000 1.103 789 F CA -0.852 57.157 58.000 0.015 0.000 0.949 789 F CB 2.002 40.994 39.000 -0.013 0.000 1.142 789 F HN 0.304 nan 8.300 nan 0.000 0.457 790 S N 1.012 116.824 115.700 0.186 0.000 2.546 790 S HA 0.797 5.266 4.470 -0.000 0.000 0.272 790 S C -1.455 173.205 174.600 0.100 0.000 1.140 790 S CA -0.840 57.424 58.200 0.105 0.000 0.920 790 S CB 1.592 64.825 63.200 0.055 0.000 1.083 790 S HN 0.358 nan 8.310 nan 0.000 0.476 791 V N 1.961 121.929 119.914 0.089 0.000 2.448 791 V HA 0.817 4.936 4.120 -0.000 0.000 0.295 791 V C -0.337 175.793 176.094 0.060 0.000 1.025 791 V CA -0.206 62.159 62.300 0.108 0.000 0.859 791 V CB 1.770 33.703 31.823 0.183 0.000 0.988 791 V HN 1.047 nan 8.190 nan 0.000 0.431 792 T N 4.901 119.464 114.554 0.015 0.000 3.170 792 T HA 0.314 4.664 4.350 -0.000 0.000 0.315 792 T C -0.474 174.191 174.700 -0.059 0.000 0.967 792 T CA -0.573 61.524 62.100 -0.006 0.000 1.024 792 T CB 0.767 69.627 68.868 -0.014 0.000 1.018 792 T HN 0.789 nan 8.240 nan 0.000 0.449 793 Q N 3.536 123.327 119.800 -0.016 0.000 3.183 793 Q HA -0.227 4.113 4.340 -0.000 0.000 0.397 793 Q C 0.504 176.344 176.000 -0.266 0.000 1.196 793 Q CA 1.058 56.847 55.803 -0.023 0.000 1.048 793 Q CB -0.167 28.598 28.738 0.046 0.000 1.255 793 Q HN 0.896 nan 8.270 nan 0.000 0.552 794 N N -0.642 117.727 118.700 -0.552 0.000 2.900 794 N HA -0.231 4.509 4.740 -0.000 0.000 0.240 794 N C -0.583 173.996 175.510 -1.553 0.000 0.953 794 N CA 1.880 54.186 53.050 -1.240 0.000 0.950 794 N CB -0.525 37.627 38.487 -0.559 0.000 1.102 794 N HN 0.669 nan 8.380 nan 0.000 0.593 795 R N 0.202 119.973 120.500 -1.214 0.000 2.515 795 R HA 0.505 4.845 4.340 -0.000 0.000 0.278 795 R C -1.999 174.119 176.300 -0.304 0.000 1.107 795 R CA -0.767 54.899 56.100 -0.723 0.000 0.945 795 R CB 0.942 31.030 30.300 -0.353 0.000 1.219 795 R HN 0.066 nan 8.270 nan 0.000 0.434 796 L N 3.181 124.384 121.223 -0.034 0.000 2.296 796 L HA 0.500 4.840 4.340 -0.000 0.000 0.286 796 L C -0.946 175.989 176.870 0.108 0.000 1.023 796 L CA 0.123 55.062 54.840 0.165 0.000 0.812 796 L CB 1.653 43.891 42.059 0.299 0.000 1.223 796 L HN 0.623 nan 8.230 nan 0.000 0.421 797 E N 4.276 124.541 120.200 0.108 0.000 2.158 797 E HA 0.478 4.828 4.350 -0.000 0.000 0.271 797 E C -1.276 175.423 176.600 0.165 0.000 0.911 797 E CA -0.868 55.599 56.400 0.112 0.000 0.767 797 E CB 2.370 32.110 29.700 0.066 0.000 1.120 797 E HN 0.442 nan 8.360 nan 0.000 0.405 798 V N 3.805 123.836 119.914 0.196 0.000 2.347 798 V HA 0.272 4.392 4.120 -0.000 0.000 0.280 798 V C -0.094 176.079 176.094 0.130 0.000 1.021 798 V CA -0.788 61.649 62.300 0.228 0.000 0.847 798 V CB 1.031 33.051 31.823 0.329 0.000 0.990 798 V HN 0.559 nan 8.190 nan 0.000 0.444 799 N N 4.698 123.427 118.700 0.048 0.000 2.314 799 N HA 0.502 5.242 4.740 -0.000 0.000 0.294 799 N C -1.324 174.183 175.510 -0.005 0.000 1.029 799 N CA -0.545 52.516 53.050 0.019 0.000 0.845 799 N CB 1.931 40.422 38.487 0.007 0.000 1.321 799 N HN 0.402 nan 8.380 nan 0.000 0.481 800 I N 2.429 123.007 120.570 0.013 0.000 2.354 800 I HA 0.183 4.353 4.170 -0.000 0.000 0.292 800 I C 1.478 177.605 176.117 0.017 0.000 0.989 800 I CA -0.305 61.006 61.300 0.018 0.000 1.188 800 I CB 1.171 39.191 38.000 0.033 0.000 1.342 800 I HN 0.654 nan 8.210 nan 0.000 0.457 801 S N 4.276 119.993 115.700 0.028 0.000 2.514 801 S HA 0.147 4.617 4.470 -0.000 0.000 0.223 801 S C 0.518 175.132 174.600 0.024 0.000 1.046 801 S CA -0.088 58.133 58.200 0.036 0.000 0.914 801 S CB 0.414 63.651 63.200 0.061 0.000 0.807 801 S HN 0.626 nan 8.310 nan 0.000 0.497 802 Q N 0.764 120.569 119.800 0.009 0.000 2.285 802 Q HA 0.649 4.988 4.340 -0.000 0.000 0.269 802 Q C -1.301 174.651 176.000 -0.080 0.000 1.030 802 Q CA -0.202 55.546 55.803 -0.091 0.000 0.788 802 Q CB 2.151 30.739 28.738 -0.250 0.000 1.266 802 Q HN 0.088 nan 8.270 nan 0.000 0.438 803 S N 2.522 118.175 115.700 -0.078 0.000 2.399 803 S HA 0.255 4.725 4.470 -0.000 0.000 0.198 803 S C -0.323 174.262 174.600 -0.026 0.000 1.294 803 S CA 0.229 58.415 58.200 -0.023 0.000 1.237 803 S CB -0.098 63.100 63.200 -0.003 0.000 1.286 803 S HN 0.718 nan 8.310 nan 0.000 0.404 804 T N -0.891 113.636 114.554 -0.044 0.000 3.129 804 T HA 0.316 4.665 4.350 -0.000 0.000 0.267 804 T C -0.361 174.405 174.700 0.110 0.000 1.018 804 T CA -0.228 61.869 62.100 -0.005 0.000 0.903 804 T CB -0.153 68.684 68.868 -0.051 0.000 1.067 804 T HN 0.445 nan 8.240 nan 0.000 0.549 805 Y N 1.670 121.960 120.300 -0.017 0.000 2.373 805 Y HA 0.615 5.165 4.550 -0.000 0.000 0.336 805 Y C -0.914 175.014 175.900 0.048 0.000 0.979 805 Y CA -1.881 56.231 58.100 0.019 0.000 1.080 805 Y CB 1.777 40.252 38.460 0.024 0.000 1.190 805 Y HN -0.000 nan 8.280 nan 0.000 0.446 806 K N 5.499 125.563 120.400 -0.559 0.000 2.449 806 K HA 0.219 4.538 4.320 -0.000 0.000 0.257 806 K C -1.077 175.111 176.600 -0.687 0.000 0.989 806 K CA -0.590 55.437 56.287 -0.434 0.000 0.916 806 K CB 0.651 33.029 32.500 -0.203 0.000 1.136 806 K HN 0.676 nan 8.250 nan 0.000 0.439 807 D N 5.756 125.872 120.400 -0.474 0.000 2.434 807 D HA -0.009 4.631 4.640 -0.000 0.000 0.252 807 D C -1.329 174.892 176.300 -0.133 0.000 1.185 807 D CA -1.285 52.584 54.000 -0.217 0.000 0.886 807 D CB 1.365 42.305 40.800 0.233 0.000 1.148 807 D HN 0.442 nan 8.370 nan 0.000 0.483 808 P HA -0.043 nan 4.420 nan 0.000 0.237 808 P C 0.190 177.475 177.300 -0.026 0.000 1.178 808 P CA 0.524 63.587 63.100 -0.061 0.000 0.766 808 P CB 0.162 31.838 31.700 -0.039 0.000 0.876 809 N N 0.245 118.944 118.700 -0.001 0.000 2.449 809 N HA -0.027 4.713 4.740 -0.000 0.000 0.191 809 N C 0.046 175.542 175.510 -0.024 0.000 1.161 809 N CA -0.139 52.911 53.050 -0.000 0.000 0.863 809 N CB -0.596 37.906 38.487 0.026 0.000 0.980 809 N HN -0.097 nan 8.380 nan 0.000 0.458 810 N N 0.970 119.647 118.700 -0.038 0.000 2.727 810 N HA -0.159 4.581 4.740 -0.000 0.000 0.251 810 N C -1.052 174.411 175.510 -0.078 0.000 1.040 810 N CA 0.395 53.415 53.050 -0.050 0.000 0.712 810 N CB -1.134 37.331 38.487 -0.037 0.000 0.912 810 N HN 0.282 nan 8.380 nan 0.000 0.545 811 L N -0.264 120.889 121.223 -0.117 0.000 2.439 811 L HA 0.560 4.899 4.340 -0.000 0.000 0.269 811 L C 0.997 177.725 176.870 -0.237 0.000 1.179 811 L CA 0.141 54.858 54.840 -0.206 0.000 0.828 811 L CB 0.880 42.743 42.059 -0.326 0.000 1.106 811 L HN 0.392 nan 8.230 nan 0.000 0.467 812 A N 2.278 124.929 122.820 -0.281 0.000 2.594 812 A HA 0.668 4.987 4.320 -0.000 0.000 0.295 812 A C -1.185 176.190 177.584 -0.350 0.000 1.071 812 A CA -0.601 51.283 52.037 -0.255 0.000 0.685 812 A CB 0.910 19.842 19.000 -0.114 0.000 1.285 812 A HN 0.420 nan 8.150 nan 0.000 0.405 813 F N 2.467 122.348 119.950 -0.116 0.000 2.472 813 F HA 0.225 4.751 4.527 -0.000 0.000 0.364 813 F C 1.529 177.252 175.800 -0.128 0.000 1.090 813 F CA 0.214 58.141 58.000 -0.122 0.000 1.188 813 F CB 0.808 39.726 39.000 -0.137 0.000 1.105 813 F HN 0.689 nan 8.300 nan 0.000 0.536 814 N N 1.437 120.155 118.700 0.030 0.000 2.177 814 N HA 0.062 4.802 4.740 -0.000 0.000 0.218 814 N C -0.448 175.057 175.510 -0.009 0.000 1.182 814 N CA -0.054 52.990 53.050 -0.010 0.000 0.882 814 N CB 0.505 38.971 38.487 -0.035 0.000 1.052 814 N HN 0.721 nan 8.380 nan 0.000 0.519 815 E N 0.416 120.625 120.200 0.015 0.000 2.335 815 E HA 0.456 4.806 4.350 -0.000 0.000 0.280 815 E C -1.618 174.967 176.600 -0.024 0.000 0.918 815 E CA -0.600 55.791 56.400 -0.016 0.000 0.765 815 E CB 1.899 31.589 29.700 -0.017 0.000 1.218 815 E HN 0.108 nan 8.360 nan 0.000 0.425 816 I N 3.754 124.280 120.570 -0.073 0.000 2.468 816 I HA 0.328 4.498 4.170 -0.000 0.000 0.285 816 I C -0.547 175.495 176.117 -0.126 0.000 1.039 816 I CA -0.720 60.513 61.300 -0.112 0.000 1.074 816 I CB 1.900 39.810 38.000 -0.150 0.000 1.228 816 I HN 0.267 nan 8.210 nan 0.000 0.436 817 K N 7.571 127.899 120.400 -0.120 0.000 2.240 817 K HA 0.655 4.975 4.320 -0.000 0.000 0.271 817 K C -1.176 175.331 176.600 -0.155 0.000 1.018 817 K CA -0.453 55.754 56.287 -0.134 0.000 0.874 817 K CB 1.095 33.516 32.500 -0.132 0.000 1.098 817 K HN 0.549 nan 8.250 nan 0.000 0.458 818 I N 6.116 126.580 120.570 -0.176 0.000 2.378 818 I HA 0.287 4.456 4.170 -0.000 0.000 0.291 818 I C -0.466 175.540 176.117 -0.185 0.000 0.992 818 I CA -0.878 60.311 61.300 -0.184 0.000 1.154 818 I CB 1.334 39.189 38.000 -0.242 0.000 1.315 818 I HN 0.392 nan 8.210 nan 0.000 0.448 819 L N 5.164 126.218 121.223 -0.281 0.000 2.322 819 L HA 0.607 4.947 4.340 -0.000 0.000 0.279 819 L C 0.999 177.680 176.870 -0.315 0.000 1.036 819 L CA -0.687 53.885 54.840 -0.446 0.000 0.807 819 L CB 1.497 42.957 42.059 -0.998 0.000 1.226 819 L HN 0.934 nan 8.230 nan 0.000 0.433 820 G N 1.017 109.791 108.800 -0.044 0.000 2.272 820 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.280 820 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.280 820 G C 0.020 174.993 174.900 0.123 0.000 1.067 820 G CA 0.518 45.740 45.100 0.205 0.000 0.902 820 G HN 0.707 nan 8.290 nan 0.000 0.500 821 T N -0.723 113.894 114.554 0.105 0.000 2.908 821 T HA 0.579 4.929 4.350 -0.000 0.000 0.290 821 T C 0.140 174.929 174.700 0.149 0.000 1.034 821 T CA -0.588 61.577 62.100 0.107 0.000 1.010 821 T CB 1.352 70.265 68.868 0.074 0.000 1.068 821 T HN 0.176 nan 8.240 nan 0.000 0.481 822 E N 1.770 121.984 120.200 0.023 0.000 2.342 822 E HA 0.163 4.512 4.350 -0.000 0.000 0.257 822 E C -0.005 176.496 176.600 -0.166 0.000 1.150 822 E CA -0.419 55.967 56.400 -0.024 0.000 0.926 822 E CB 0.596 30.191 29.700 -0.175 0.000 1.074 822 E HN 0.743 nan 8.360 nan 0.000 0.449 823 E N 2.137 122.035 120.200 -0.503 0.000 2.498 823 E HA 0.026 4.376 4.350 -0.000 0.000 0.252 823 E C -2.162 174.227 176.600 -0.352 0.000 1.025 823 E CA -1.239 54.551 56.400 -1.016 0.000 0.938 823 E CB 0.328 29.563 29.700 -0.776 0.000 0.947 823 E HN -0.014 nan 8.360 nan 0.000 0.478 824 P HA 0.093 nan 4.420 nan 0.000 0.279 824 P C -1.330 175.854 177.300 -0.193 0.000 1.239 824 P CA -0.412 62.496 63.100 -0.320 0.000 0.789 824 P CB 1.511 32.886 31.700 -0.541 0.000 0.933 825 S N 0.965 116.608 115.700 -0.096 0.000 2.599 825 S HA 0.485 4.955 4.470 -0.000 0.000 0.287 825 S C -0.328 174.273 174.600 0.002 0.000 1.105 825 S CA -0.803 57.368 58.200 -0.049 0.000 0.899 825 S CB 0.677 63.853 63.200 -0.040 0.000 1.100 825 S HN 0.429 nan 8.310 nan 0.000 0.482 826 N N -0.082 118.618 118.700 0.002 0.000 2.696 826 N HA -0.113 4.627 4.740 -0.000 0.000 0.256 826 N C -0.636 174.902 175.510 0.047 0.000 1.031 826 N CA 0.570 53.629 53.050 0.016 0.000 0.730 826 N CB -1.467 37.025 38.487 0.007 0.000 0.894 826 N HN 0.624 nan 8.380 nan 0.000 0.544 827 V N 0.931 120.878 119.914 0.055 0.000 2.485 827 V HA 0.109 4.229 4.120 -0.000 0.000 0.287 827 V C 1.117 177.255 176.094 0.073 0.000 1.022 827 V CA 0.394 62.753 62.300 0.098 0.000 1.067 827 V CB 1.188 33.044 31.823 0.055 0.000 0.967 827 V HN 0.291 nan 8.190 nan 0.000 0.479 828 T N 4.604 119.212 114.554 0.090 0.000 2.885 828 T HA 0.646 4.996 4.350 -0.000 0.000 0.285 828 T C -0.463 174.288 174.700 0.086 0.000 1.019 828 T CA -0.493 61.648 62.100 0.067 0.000 1.010 828 T CB 1.946 70.841 68.868 0.046 0.000 1.022 828 T HN 0.345 nan 8.240 nan 0.000 0.466 829 V N 3.000 122.963 119.914 0.082 0.000 2.487 829 V HA 0.486 4.606 4.120 -0.000 0.000 0.298 829 V C -0.236 175.947 176.094 0.149 0.000 1.028 829 V CA -0.893 61.474 62.300 0.112 0.000 0.860 829 V CB 1.592 33.461 31.823 0.077 0.000 0.991 829 V HN 0.723 nan 8.190 nan 0.000 0.427 830 K N 2.934 123.446 120.400 0.187 0.000 2.207 830 K HA 0.550 4.869 4.320 -0.000 0.000 0.255 830 K C -0.889 175.890 176.600 0.298 0.000 0.941 830 K CA -0.747 55.651 56.287 0.185 0.000 0.825 830 K CB 2.226 34.788 32.500 0.104 0.000 1.119 830 K HN 0.853 nan 8.250 nan 0.000 0.430 831 H N 3.101 122.227 119.070 0.094 0.000 2.547 831 H HA 0.143 4.699 4.556 -0.000 0.000 0.342 831 H C -0.442 174.819 175.328 -0.111 0.000 1.048 831 H CA -0.501 55.501 56.048 -0.075 0.000 1.204 831 H CB 0.761 30.507 29.762 -0.027 0.000 1.493 831 H HN 0.662 nan 8.280 nan 0.000 0.511 832 N N 3.584 122.120 118.700 -0.273 0.000 2.701 832 N HA -0.208 4.532 4.740 -0.000 0.000 0.250 832 N C 1.051 176.487 175.510 -0.124 0.000 1.046 832 N CA 1.458 54.363 53.050 -0.242 0.000 0.733 832 N CB -1.326 36.941 38.487 -0.367 0.000 0.973 832 N HN 1.056 nan 8.380 nan 0.000 0.541 833 G N -2.621 106.149 108.800 -0.051 0.000 2.162 833 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.260 833 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.260 833 G C 0.001 174.893 174.900 -0.013 0.000 0.976 833 G CA 0.419 45.507 45.100 -0.021 0.000 0.655 833 G HN 0.482 nan 8.290 nan 0.000 0.533 834 V N 2.451 122.356 119.914 -0.015 0.000 2.347 834 V HA 0.522 4.642 4.120 -0.000 0.000 0.280 834 V C -1.704 174.421 176.094 0.053 0.000 1.021 834 V CA -1.724 60.577 62.300 0.002 0.000 0.847 834 V CB 1.780 33.587 31.823 -0.027 0.000 0.990 834 V HN 0.180 nan 8.190 nan 0.000 0.444 835 P HA 0.499 nan 4.420 nan 0.000 0.285 835 P C -0.319 177.017 177.300 0.060 0.000 1.259 835 P CA 0.144 63.283 63.100 0.065 0.000 0.794 835 P CB 1.697 33.424 31.700 0.045 0.000 0.940 839 S N 4.744 120.450 115.700 0.010 0.000 2.605 839 S HA 0.782 5.252 4.470 -0.000 0.000 0.308 839 S C -2.573 172.026 174.600 -0.002 0.000 1.113 839 S CA -1.076 57.129 58.200 0.008 0.000 1.049 839 S CB 0.939 64.143 63.200 0.008 0.000 1.001 839 S HN 0.808 nan 8.310 nan 0.000 0.480 840 P HA 0.253 nan 4.420 nan 0.000 0.274 840 P C -0.556 176.731 177.300 -0.021 0.000 1.237 840 P CA -0.300 62.788 63.100 -0.019 0.000 0.793 840 P CB 0.320 32.003 31.700 -0.028 0.000 0.977 841 T N 0.751 115.290 114.554 -0.026 0.000 2.832 841 T HA 0.313 4.663 4.350 -0.000 0.000 0.296 841 T C 0.055 174.733 174.700 -0.036 0.000 0.968 841 T CA -0.176 61.909 62.100 -0.026 0.000 1.107 841 T CB 0.317 69.171 68.868 -0.023 0.000 0.916 841 T HN 0.117 nan 8.240 nan 0.000 0.517 842 V N 3.840 123.735 119.914 -0.032 0.000 2.487 842 V HA 0.455 4.574 4.120 -0.000 0.000 0.298 842 V C 0.185 176.273 176.094 -0.011 0.000 1.028 842 V CA -0.876 61.400 62.300 -0.039 0.000 0.860 842 V CB 2.087 33.873 31.823 -0.061 0.000 0.991 842 V HN 0.955 nan 8.190 nan 0.000 0.427 843 T N 4.441 118.993 114.554 -0.004 0.000 2.824 843 T HA 0.597 4.947 4.350 -0.000 0.000 0.280 843 T C -1.251 173.498 174.700 0.083 0.000 0.995 843 T CA -0.316 61.796 62.100 0.019 0.000 1.009 843 T CB 1.206 70.065 68.868 -0.016 0.000 0.955 843 T HN 0.554 nan 8.240 nan 0.000 0.452 844 Y N 2.184 122.448 120.300 -0.061 0.000 2.391 844 Y HA 0.444 4.994 4.550 -0.000 0.000 0.341 844 Y C -1.132 174.739 175.900 -0.048 0.000 0.965 844 Y CA -1.495 56.569 58.100 -0.061 0.000 1.067 844 Y CB 1.535 39.964 38.460 -0.051 0.000 1.199 844 Y HN 0.531 nan 8.280 nan 0.000 0.450 845 D N 3.135 123.099 120.400 -0.726 0.000 2.427 845 D HA 0.144 4.784 4.640 -0.000 0.000 0.226 845 D C 0.531 176.275 176.300 -0.926 0.000 1.076 845 D CA 0.123 53.775 54.000 -0.581 0.000 0.849 845 D CB 1.554 42.152 40.800 -0.337 0.000 1.052 845 D HN 0.664 nan 8.370 nan 0.000 0.515 846 S N 2.933 118.253 115.700 -0.633 0.000 2.436 846 S HA -0.125 4.345 4.470 -0.000 0.000 0.228 846 S C 1.504 175.994 174.600 -0.184 0.000 1.014 846 S CA 0.371 58.346 58.200 -0.375 0.000 0.950 846 S CB -0.171 63.019 63.200 -0.018 0.000 0.784 846 S HN 0.607 nan 8.310 nan 0.000 0.504 847 N N 0.593 119.190 118.700 -0.172 0.000 2.142 847 N HA -0.048 4.691 4.740 -0.000 0.000 0.186 847 N C 1.128 176.574 175.510 -0.106 0.000 1.023 847 N CA 1.164 54.150 53.050 -0.107 0.000 0.852 847 N CB -0.077 38.355 38.487 -0.092 0.000 0.998 847 N HN 0.319 nan 8.380 nan 0.000 0.424 848 L N 1.075 122.207 121.223 -0.150 0.000 2.554 848 L HA 0.204 4.544 4.340 -0.000 0.000 0.225 848 L C 0.324 177.143 176.870 -0.085 0.000 1.104 848 L CA 0.557 55.333 54.840 -0.106 0.000 0.866 848 L CB -0.091 41.899 42.059 -0.115 0.000 1.047 848 L HN 0.022 nan 8.230 nan 0.000 0.468 849 K N -0.217 120.089 120.400 -0.157 0.000 3.162 849 K HA -0.113 4.207 4.320 -0.000 0.000 0.268 849 K C -0.743 175.849 176.600 -0.014 0.000 1.062 849 K CA 0.249 56.513 56.287 -0.038 0.000 0.769 849 K CB -2.518 30.032 32.500 0.085 0.000 1.274 849 K HN 0.073 nan 8.250 nan 0.000 0.478 850 V N 0.237 120.049 119.914 -0.170 0.000 2.444 850 V HA 0.692 4.812 4.120 -0.000 0.000 0.294 850 V C 0.324 176.400 176.094 -0.030 0.000 1.022 850 V CA -0.677 61.563 62.300 -0.101 0.000 0.850 850 V CB 1.950 33.687 31.823 -0.144 0.000 0.992 850 V HN 0.402 nan 8.190 nan 0.000 0.426 851 A N 6.297 129.155 122.820 0.064 0.000 2.317 851 A HA 0.907 5.227 4.320 -0.000 0.000 0.327 851 A C -0.705 176.840 177.584 -0.065 0.000 1.178 851 A CA -0.518 51.568 52.037 0.080 0.000 0.817 851 A CB 0.706 19.703 19.000 -0.005 0.000 1.189 851 A HN 0.778 nan 8.150 nan 0.000 0.489 852 I N 3.105 123.640 120.570 -0.060 0.000 2.418 852 I HA 0.338 4.508 4.170 -0.000 0.000 0.287 852 I C -0.791 175.273 176.117 -0.089 0.000 1.008 852 I CA -0.255 60.992 61.300 -0.088 0.000 1.104 852 I CB 1.668 39.623 38.000 -0.076 0.000 1.264 852 I HN 0.502 nan 8.210 nan 0.000 0.438 853 I N 5.410 125.914 120.570 -0.110 0.000 2.336 853 I HA 0.430 4.600 4.170 -0.000 0.000 0.292 853 I C 0.219 176.292 176.117 -0.073 0.000 0.991 853 I CA -0.028 61.212 61.300 -0.100 0.000 1.227 853 I CB 1.792 39.715 38.000 -0.129 0.000 1.366 853 I HN 0.530 nan 8.210 nan 0.000 0.466 854 T N 2.608 117.127 114.554 -0.057 0.000 2.716 854 T HA 0.272 4.622 4.350 -0.000 0.000 0.286 854 T C -0.471 174.206 174.700 -0.039 0.000 1.052 854 T CA -0.087 61.986 62.100 -0.045 0.000 1.024 854 T CB 1.277 70.121 68.868 -0.040 0.000 1.349 854 T HN 0.748 nan 8.240 nan 0.000 0.525 855 D N 0.259 120.638 120.400 -0.034 0.000 2.800 855 D HA -0.142 4.498 4.640 -0.000 0.000 0.232 855 D C -0.583 175.696 176.300 -0.035 0.000 1.137 855 D CA 0.882 54.864 54.000 -0.029 0.000 0.718 855 D CB -1.251 39.535 40.800 -0.024 0.000 1.084 855 D HN 0.495 nan 8.370 nan 0.000 0.432 856 I N -0.375 120.169 120.570 -0.044 0.000 2.934 856 I HA 0.501 4.671 4.170 -0.000 0.000 0.306 856 I C -1.023 175.051 176.117 -0.071 0.000 1.110 856 I CA -0.804 60.459 61.300 -0.062 0.000 1.019 856 I CB 1.957 39.913 38.000 -0.073 0.000 1.227 856 I HN -0.127 nan 8.210 nan 0.000 0.434 857 D N 5.425 125.760 120.400 -0.108 0.000 2.668 857 D HA 0.316 4.956 4.640 -0.000 0.000 0.247 857 D C -1.413 174.767 176.300 -0.202 0.000 1.268 857 D CA -0.185 53.750 54.000 -0.109 0.000 0.842 857 D CB 0.692 41.451 40.800 -0.068 0.000 1.399 857 D HN 0.241 nan 8.370 nan 0.000 0.530 858 L N 2.884 123.955 121.223 -0.253 0.000 2.268 858 L HA 0.398 4.738 4.340 -0.000 0.000 0.289 858 L C 0.383 177.249 176.870 -0.006 0.000 1.064 858 L CA -0.662 53.863 54.840 -0.525 0.000 0.824 858 L CB 0.580 42.284 42.059 -0.592 0.000 1.202 858 L HN 0.167 nan 8.230 nan 0.000 0.433 859 L N 3.797 125.108 121.223 0.147 0.000 2.490 859 L HA 0.010 4.349 4.340 -0.000 0.000 0.274 859 L C 0.344 177.354 176.870 0.235 0.000 1.201 859 L CA -0.329 54.605 54.840 0.156 0.000 0.869 859 L CB 0.500 42.638 42.059 0.133 0.000 1.123 859 L HN 0.447 nan 8.230 nan 0.000 0.484 860 L N 3.872 125.130 121.223 0.058 0.000 2.513 860 L HA 0.270 4.610 4.340 -0.000 0.000 0.272 860 L C 0.992 177.930 176.870 0.113 0.000 1.187 860 L CA 1.470 56.349 54.840 0.066 0.000 0.895 860 L CB 0.471 42.413 42.059 -0.195 0.000 1.147 860 L HN 0.824 nan 8.230 nan 0.000 0.483 861 G N 2.439 111.350 108.800 0.184 0.000 2.176 861 G HA2 -0.172 3.787 3.960 -0.000 0.000 0.232 861 G HA3 -0.172 3.787 3.960 -0.000 0.000 0.232 861 G C 0.119 175.090 174.900 0.117 0.000 0.986 861 G CA 0.021 45.199 45.100 0.130 0.000 0.643 861 G HN 0.572 nan 8.290 nan 0.000 0.522 862 E N -0.044 120.254 120.200 0.162 0.000 2.227 862 E HA 0.699 5.049 4.350 -0.000 0.000 0.268 862 E C 0.193 176.788 176.600 -0.009 0.000 0.907 862 E CA -0.049 56.379 56.400 0.048 0.000 0.786 862 E CB 1.839 31.497 29.700 -0.070 0.000 1.191 862 E HN 0.742 nan 8.360 nan 0.000 0.411 863 A N 2.766 125.526 122.820 -0.100 0.000 2.320 863 A HA 0.562 4.881 4.320 -0.000 0.000 0.287 863 A C -1.184 176.290 177.584 -0.184 0.000 1.181 863 A CA -0.148 51.857 52.037 -0.053 0.000 0.831 863 A CB 0.020 19.003 19.000 -0.029 0.000 1.102 863 A HN 0.505 nan 8.150 nan 0.000 0.513 864 Y N 0.051 120.436 120.300 0.143 0.000 2.576 864 Y HA 0.590 5.140 4.550 -0.000 0.000 0.346 864 Y C 0.411 176.364 175.900 0.088 0.000 1.018 864 Y CA -0.519 57.658 58.100 0.128 0.000 1.050 864 Y CB 2.654 41.173 38.460 0.098 0.000 1.280 864 Y HN 0.553 nan 8.280 nan 0.000 0.474 865 T N 2.147 116.854 114.554 0.255 0.000 2.824 865 T HA 0.626 4.975 4.350 -0.000 0.000 0.282 865 T C -1.159 173.633 174.700 0.153 0.000 0.993 865 T CA -0.655 61.535 62.100 0.149 0.000 0.967 865 T CB 1.254 70.167 68.868 0.075 0.000 0.960 865 T HN 0.309 nan 8.240 nan 0.000 0.441 866 V N 3.441 123.439 119.914 0.139 0.000 2.540 866 V HA 0.558 4.678 4.120 -0.000 0.000 0.302 866 V C -0.301 175.879 176.094 0.143 0.000 1.035 866 V CA -0.759 61.649 62.300 0.180 0.000 0.873 866 V CB 1.876 33.838 31.823 0.231 0.000 0.992 866 V HN 0.874 nan 8.190 nan 0.000 0.428 867 E N 3.488 123.760 120.200 0.119 0.000 2.340 867 E HA 0.655 5.005 4.350 -0.000 0.000 0.273 867 E C -1.640 175.018 176.600 0.095 0.000 0.891 867 E CA -0.686 55.636 56.400 -0.129 0.000 0.757 867 E CB 2.688 32.303 29.700 -0.142 0.000 1.231 867 E HN 0.710 nan 8.360 nan 0.000 0.439 868 W N 0.937 122.173 121.300 -0.108 0.000 3.062 868 W HA 0.839 5.499 4.660 -0.000 0.000 0.336 868 W C -1.315 175.067 176.519 -0.228 0.000 1.224 868 W CA -1.032 56.210 57.345 -0.172 0.000 1.159 868 W CB 0.539 29.863 29.460 -0.227 0.000 1.454 868 W HN 0.541 nan 8.180 nan 0.000 0.569 869 A N 1.206 124.009 122.820 -0.028 0.000 2.288 869 A HA 0.852 5.172 4.320 -0.000 0.000 0.328 869 A C -0.888 176.568 177.584 -0.213 0.000 1.123 869 A CA -0.586 51.380 52.037 -0.120 0.000 0.861 869 A CB 0.940 19.913 19.000 -0.046 0.000 1.272 869 A HN 0.799 nan 8.150 nan 0.000 0.490 870 H N 0.000 119.118 119.070 0.080 0.000 2.539 870 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 870 H CA 0.000 56.078 56.048 0.050 0.000 1.023 870 H CB 0.000 29.798 29.762 0.060 0.000 1.292 870 H HN 0.000 nan 8.280 nan 0.000 0.496