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 3l4w_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 0.000 176.066 176.094 -0.046 0.000 1.182 7 V CA 0.000 62.295 62.300 -0.008 0.000 1.235 7 V CB 0.000 31.815 31.823 -0.013 0.000 1.184 8 N N 2.791 121.465 118.700 -0.044 0.000 2.497 8 N HA 0.111 4.851 4.740 -0.000 0.000 0.268 8 N C 1.177 176.648 175.510 -0.066 0.000 1.171 8 N CA 0.301 53.326 53.050 -0.042 0.000 0.948 8 N CB 1.313 39.783 38.487 -0.030 0.000 1.069 8 N HN 0.981 nan 8.380 nan 0.000 0.460 9 E N 4.076 124.248 120.200 -0.047 0.000 2.204 9 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 9 E C 1.255 177.925 176.600 0.117 0.000 0.989 9 E CA 0.879 57.258 56.400 -0.036 0.000 0.824 9 E CB -0.194 29.491 29.700 -0.024 0.000 0.756 9 E HN 0.667 nan 8.360 nan 0.000 0.477 10 L N 0.619 121.900 121.223 0.097 0.000 2.465 10 L HA -0.007 4.333 4.340 -0.000 0.000 0.224 10 L C 1.581 178.432 176.870 -0.031 0.000 1.145 10 L CA 0.877 55.757 54.840 0.067 0.000 0.834 10 L CB -0.259 41.768 42.059 -0.054 0.000 0.944 10 L HN 0.148 nan 8.230 nan 0.000 0.451 11 E N -0.243 119.955 120.200 -0.004 0.000 2.498 11 E HA 0.117 4.466 4.350 -0.000 0.000 0.203 11 E C 0.172 176.783 176.600 0.018 0.000 1.013 11 E CA -0.273 56.113 56.400 -0.024 0.000 0.927 11 E CB 0.556 30.234 29.700 -0.036 0.000 1.012 11 E HN 0.358 nan 8.360 nan 0.000 0.482 12 R N 1.519 122.033 120.500 0.022 0.000 2.449 12 R HA 0.116 4.456 4.340 -0.000 0.000 0.296 12 R C -0.145 176.271 176.300 0.193 0.000 1.047 12 R CA 0.190 56.274 56.100 -0.027 0.000 1.018 12 R CB 0.651 30.764 30.300 -0.313 0.000 0.962 12 R HN -0.018 nan 8.270 nan 0.000 0.428 13 I N 3.366 124.090 120.570 0.256 0.000 2.304 13 I HA 0.036 4.205 4.170 -0.000 0.000 0.291 13 I C 0.296 176.608 176.117 0.325 0.000 1.018 13 I CA -0.946 60.541 61.300 0.311 0.000 1.260 13 I CB 0.713 38.918 38.000 0.341 0.000 1.390 13 I HN 0.535 nan 8.210 nan 0.000 0.475 14 N N 4.807 123.653 118.700 0.244 0.000 2.411 14 N HA -0.111 4.629 4.740 -0.000 0.000 0.265 14 N C 0.809 176.327 175.510 0.013 0.000 1.266 14 N CA 0.396 53.521 53.050 0.126 0.000 0.889 14 N CB 0.515 39.067 38.487 0.109 0.000 1.069 14 N HN 0.749 nan 8.380 nan 0.000 0.476 15 c N 4.704 123.142 118.600 -0.269 0.000 2.799 15 c HA 0.409 4.979 4.570 -0.000 0.000 0.267 15 c C 0.573 174.543 174.090 -0.199 0.000 1.257 15 c CA -0.366 55.561 56.329 -0.671 0.000 1.702 15 c CB -1.050 40.876 42.510 -0.974 0.000 1.934 15 c HN 0.714 nan 8.230 nan 0.000 0.594 16 I N 2.580 123.126 120.570 -0.039 0.000 2.833 16 I HA 0.264 4.434 4.170 -0.000 0.000 0.286 16 I C -1.679 174.497 176.117 0.099 0.000 1.287 16 I CA -1.129 60.202 61.300 0.052 0.000 1.046 16 I CB 1.028 39.067 38.000 0.065 0.000 1.612 16 I HN 0.111 nan 8.210 nan 0.000 0.585 17 P HA -0.062 nan 4.420 nan 0.000 0.236 17 P C 0.521 178.012 177.300 0.317 0.000 1.177 17 P CA 0.994 64.220 63.100 0.210 0.000 0.773 17 P CB 0.243 32.070 31.700 0.213 0.000 0.878 18 D N -0.665 119.938 120.400 0.339 0.000 2.360 18 D HA -0.001 4.639 4.640 -0.000 0.000 0.210 18 D C 0.762 177.158 176.300 0.159 0.000 1.047 18 D CA 0.288 54.501 54.000 0.355 0.000 0.854 18 D CB 0.284 41.398 40.800 0.523 0.000 0.936 18 D HN 0.375 nan 8.370 nan 0.000 0.514 19 Q N -0.774 119.090 119.800 0.107 0.000 2.756 19 Q HA 0.453 4.793 4.340 -0.000 0.000 0.295 19 Q C -3.290 172.719 176.000 0.016 0.000 0.903 19 Q CA -1.632 54.199 55.803 0.048 0.000 0.768 19 Q CB 0.540 29.311 28.738 0.056 0.000 1.472 19 Q HN -0.298 nan 8.270 nan 0.000 0.416 20 P HA 0.165 nan 4.420 nan 0.000 0.265 20 P C -2.414 174.903 177.300 0.028 0.000 1.193 20 P CA -0.493 62.585 63.100 -0.037 0.000 0.765 20 P CB -0.094 31.583 31.700 -0.038 0.000 0.823 21 P HA 0.114 nan 4.420 nan 0.000 0.276 21 P C -0.741 176.814 177.300 0.425 0.000 1.230 21 P CA 0.072 63.321 63.100 0.248 0.000 0.776 21 P CB 0.678 32.553 31.700 0.290 0.000 0.888 22 T N -1.413 113.306 114.554 0.275 0.000 2.900 22 T HA 0.317 4.667 4.350 -0.000 0.000 0.303 22 T C 0.898 175.293 174.700 -0.508 0.000 1.142 22 T CA -0.896 61.198 62.100 -0.010 0.000 1.007 22 T CB 2.236 71.079 68.868 -0.042 0.000 1.156 22 T HN 0.251 nan 8.240 nan 0.000 0.490 23 K N 0.967 120.680 120.400 -1.145 0.000 2.063 23 K HA -0.050 4.270 4.320 -0.000 0.000 0.208 23 K C 2.438 178.711 176.600 -0.545 0.000 1.048 23 K CA 1.676 57.216 56.287 -1.245 0.000 0.928 23 K CB -0.773 30.947 32.500 -1.302 0.000 0.713 23 K HN 0.732 nan 8.250 nan 0.000 0.442 24 A N 0.462 123.064 122.820 -0.363 0.000 1.873 24 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 24 A C 2.220 179.704 177.584 -0.167 0.000 1.193 24 A CA 2.507 54.414 52.037 -0.216 0.000 0.629 24 A CB -1.306 17.602 19.000 -0.153 0.000 0.826 24 A HN 0.463 nan 8.150 nan 0.000 0.447 25 T N -1.000 113.469 114.554 -0.142 0.000 2.684 25 T HA -0.226 4.124 4.350 -0.000 0.000 0.267 25 T C 1.975 176.621 174.700 -0.089 0.000 1.036 25 T CA 1.430 63.474 62.100 -0.094 0.000 1.148 25 T CB -1.002 67.835 68.868 -0.052 0.000 0.863 25 T HN 0.657 nan 8.240 nan 0.000 0.436 26 C N 1.961 121.204 119.300 -0.096 0.000 2.393 26 C HA -0.167 4.292 4.460 -0.000 0.000 0.276 26 C C 2.448 177.397 174.990 -0.069 0.000 1.215 26 C CA 1.311 60.303 59.018 -0.044 0.000 1.743 26 C CB -1.257 26.503 27.740 0.034 0.000 2.044 26 C HN 0.495 nan 8.230 nan 0.000 0.464 27 D N -0.464 119.863 120.400 -0.122 0.000 2.149 27 D HA -0.177 4.463 4.640 -0.000 0.000 0.198 27 D C 2.179 178.432 176.300 -0.078 0.000 0.990 27 D CA 1.498 55.437 54.000 -0.101 0.000 0.839 27 D CB -0.679 40.042 40.800 -0.132 0.000 0.948 27 D HN 0.756 nan 8.370 nan 0.000 0.460 28 Q N 0.187 119.936 119.800 -0.084 0.000 2.224 28 Q HA -0.053 4.286 4.340 -0.000 0.000 0.203 28 Q C 1.543 177.506 176.000 -0.061 0.000 0.970 28 Q CA 0.862 56.620 55.803 -0.074 0.000 0.865 28 Q CB 0.207 28.896 28.738 -0.082 0.000 0.922 28 Q HN 0.140 nan 8.270 nan 0.000 0.445 29 R N -1.225 119.248 120.500 -0.046 0.000 2.334 29 R HA 0.142 4.482 4.340 -0.000 0.000 0.216 29 R C 0.765 177.101 176.300 0.060 0.000 0.905 29 R CA 0.513 56.611 56.100 -0.003 0.000 1.064 29 R CB 0.629 30.919 30.300 -0.017 0.000 1.046 29 R HN 0.391 nan 8.270 nan 0.000 0.508 30 G N 0.855 109.660 108.800 0.009 0.000 2.160 30 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.251 30 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.251 30 G C 0.228 175.181 174.900 0.087 0.000 1.008 30 G CA 0.158 45.259 45.100 0.001 0.000 0.724 30 G HN 0.344 nan 8.290 nan 0.000 0.514 31 c N -0.822 117.820 118.600 0.069 0.000 2.464 31 c HA 0.781 5.351 4.570 -0.000 0.000 0.398 31 c C 1.398 175.430 174.090 -0.097 0.000 1.451 31 c CA -0.381 55.952 56.329 0.006 0.000 1.986 31 c CB 1.081 43.522 42.510 -0.114 0.000 2.004 31 c HN 0.694 nan 8.230 nan 0.000 0.530 32 C N 0.928 120.033 119.300 -0.324 0.000 2.365 32 C HA 0.601 5.061 4.460 -0.000 0.000 0.349 32 C C -0.381 174.425 174.990 -0.308 0.000 1.191 32 C CA -0.639 58.126 59.018 -0.422 0.000 2.114 32 C CB 0.291 27.539 27.740 -0.819 0.000 2.367 32 C HN 0.876 nan 8.230 nan 0.000 0.530 33 W N 3.895 125.042 121.300 -0.255 0.000 2.600 33 W HA 0.460 5.120 4.660 -0.000 0.000 0.325 33 W C -0.923 175.580 176.519 -0.026 0.000 1.034 33 W CA -0.190 57.091 57.345 -0.106 0.000 1.226 33 W CB 1.217 30.627 29.460 -0.085 0.000 1.379 33 W HN 0.744 nan 8.180 nan 0.000 0.466 34 N N 7.578 125.891 118.700 -0.645 0.000 3.151 34 N HA 0.114 4.853 4.740 -0.000 0.000 0.219 34 N C -2.560 172.490 175.510 -0.767 0.000 1.434 34 N CA -0.891 51.865 53.050 -0.489 0.000 0.767 34 N CB 1.437 39.903 38.487 -0.035 0.000 1.564 34 N HN 0.087 nan 8.380 nan 0.000 0.612 35 P HA 0.140 nan 4.420 nan 0.000 0.255 35 P C 0.518 177.226 177.300 -0.987 0.000 1.357 35 P CA 0.343 62.385 63.100 -1.764 0.000 0.839 35 P CB 0.450 30.903 31.700 -2.078 0.000 1.356 36 Q N -0.629 118.859 119.800 -0.519 0.000 2.424 36 Q HA 0.145 4.485 4.340 -0.000 0.000 0.204 36 Q C 1.315 177.225 176.000 -0.150 0.000 0.933 36 Q CA 0.243 55.878 55.803 -0.279 0.000 0.929 36 Q CB -0.514 28.108 28.738 -0.194 0.000 1.037 36 Q HN 0.189 nan 8.270 nan 0.000 0.511 37 G N 1.023 109.750 108.800 -0.122 0.000 2.699 37 G HA2 0.355 4.315 3.960 -0.000 0.000 0.246 37 G HA3 0.355 4.315 3.960 -0.000 0.000 0.246 37 G C -0.030 174.869 174.900 -0.003 0.000 1.219 37 G CA 0.130 45.202 45.100 -0.047 0.000 0.866 37 G HN 0.314 nan 8.290 nan 0.000 0.572 38 A N -0.545 122.266 122.820 -0.015 0.000 2.387 38 A HA 0.414 4.734 4.320 -0.000 0.000 0.251 38 A C 0.912 178.459 177.584 -0.062 0.000 1.113 38 A CA -0.104 51.925 52.037 -0.012 0.000 0.794 38 A CB 0.238 19.246 19.000 0.014 0.000 1.069 38 A HN 1.598 nan 8.150 nan 0.000 0.506 39 V N 1.003 120.881 119.914 -0.060 0.000 2.644 39 V HA 0.235 4.355 4.120 -0.000 0.000 0.305 39 V C 1.056 176.978 176.094 -0.287 0.000 1.053 39 V CA 1.925 64.151 62.300 -0.124 0.000 1.186 39 V CB 0.126 31.907 31.823 -0.071 0.000 0.895 39 V HN 1.566 nan 8.190 nan 0.000 0.490 40 S N 1.713 117.169 115.700 -0.407 0.000 2.361 40 S HA -0.178 4.292 4.470 -0.000 0.000 0.247 40 S C 0.262 174.147 174.600 -1.192 0.000 1.218 40 S CA 0.943 58.748 58.200 -0.659 0.000 1.502 40 S CB -1.484 61.408 63.200 -0.513 0.000 1.893 40 S HN 1.043 nan 8.310 nan 0.000 0.610 41 V N 3.981 123.271 119.914 -1.040 0.000 2.540 41 V HA 0.164 4.284 4.120 -0.000 0.000 0.297 41 V C -1.899 173.852 176.094 -0.571 0.000 1.024 41 V CA -0.694 61.023 62.300 -0.972 0.000 1.105 41 V CB 0.093 31.706 31.823 -0.350 0.000 0.938 41 V HN 0.136 nan 8.190 nan 0.000 0.482 42 P HA 0.075 nan 4.420 nan 0.000 0.271 42 P C -0.092 177.244 177.300 0.059 0.000 1.226 42 P CA -0.194 62.786 63.100 -0.200 0.000 0.765 42 P CB 0.414 32.074 31.700 -0.066 0.000 0.835 43 W N 2.258 123.429 121.300 -0.215 0.000 2.402 43 W HA 0.006 4.666 4.660 -0.000 0.000 0.286 43 W C 0.832 177.201 176.519 -0.250 0.000 1.221 43 W CA 0.034 57.152 57.345 -0.379 0.000 1.257 43 W CB -0.679 28.438 29.460 -0.571 0.000 1.120 43 W HN 0.260 nan 8.180 nan 0.000 0.551 44 C N 1.520 120.955 119.300 0.225 0.000 2.319 44 C HA 0.659 5.119 4.460 -0.000 0.000 0.323 44 C C -0.628 174.426 174.990 0.107 0.000 1.277 44 C CA -0.873 58.266 59.018 0.202 0.000 1.517 44 C CB -1.181 26.734 27.740 0.292 0.000 2.206 44 C HN 0.219 nan 8.230 nan 0.000 0.486 45 Y N 2.990 123.271 120.300 -0.031 0.000 2.581 45 Y HA 0.714 5.263 4.550 -0.000 0.000 0.345 45 Y C -1.206 174.641 175.900 -0.088 0.000 1.036 45 Y CA -1.565 56.487 58.100 -0.081 0.000 1.042 45 Y CB 0.309 38.783 38.460 0.023 0.000 1.289 45 Y HN 0.603 nan 8.280 nan 0.000 0.471 46 Y N 1.724 122.114 120.300 0.150 0.000 2.497 46 Y HA 0.290 4.840 4.550 -0.000 0.000 0.334 46 Y C 1.092 177.061 175.900 0.116 0.000 1.199 46 Y CA 0.346 58.456 58.100 0.017 0.000 1.425 46 Y CB 0.740 39.140 38.460 -0.100 0.000 1.291 46 Y HN 0.768 nan 8.280 nan 0.000 0.562 47 S N 1.491 117.386 115.700 0.324 0.000 2.603 47 S HA 0.199 4.669 4.470 -0.000 0.000 0.268 47 S C 0.876 175.639 174.600 0.271 0.000 1.317 47 S CA -0.885 57.468 58.200 0.256 0.000 1.012 47 S CB 1.206 64.538 63.200 0.220 0.000 0.926 47 S HN 0.731 nan 8.310 nan 0.000 0.539 48 K N 0.711 121.233 120.400 0.202 0.000 2.103 48 K HA -0.031 4.288 4.320 -0.000 0.000 0.207 48 K C 0.386 177.081 176.600 0.160 0.000 1.048 48 K CA 1.244 57.629 56.287 0.164 0.000 0.930 48 K CB -0.131 32.442 32.500 0.122 0.000 0.716 48 K HN 0.481 nan 8.250 nan 0.000 0.444 49 N N -0.493 118.303 118.700 0.161 0.000 2.573 49 N HA 0.085 4.824 4.740 -0.000 0.000 0.262 49 N C -0.909 174.700 175.510 0.164 0.000 1.029 49 N CA -0.004 53.133 53.050 0.146 0.000 0.882 49 N CB 1.080 39.620 38.487 0.088 0.000 1.204 49 N HN 0.162 nan 8.380 nan 0.000 0.519 50 H N 0.239 119.370 119.070 0.102 0.000 2.276 50 H HA 0.194 4.749 4.556 -0.000 0.000 0.199 50 H C 1.138 176.513 175.328 0.078 0.000 0.867 50 H CA 0.463 56.572 56.048 0.103 0.000 0.948 50 H CB 0.617 30.468 29.762 0.148 0.000 1.251 50 H HN 0.486 nan 8.280 nan 0.000 0.388 51 S N -1.078 114.791 115.700 0.283 0.000 3.006 51 S HA 0.237 4.707 4.470 -0.000 0.000 0.225 51 S C -0.137 174.563 174.600 0.167 0.000 1.097 51 S CA -0.712 57.638 58.200 0.250 0.000 1.260 51 S CB 0.252 63.661 63.200 0.348 0.000 1.085 51 S HN 0.163 nan 8.310 nan 0.000 0.568 52 Y N 1.882 122.281 120.300 0.165 0.000 2.299 52 Y HA 0.482 5.032 4.550 -0.000 0.000 0.335 52 Y C 0.694 176.708 175.900 0.189 0.000 1.287 52 Y CA 0.344 58.501 58.100 0.095 0.000 1.424 52 Y CB 0.483 38.939 38.460 -0.007 0.000 1.326 52 Y HN 0.887 nan 8.280 nan 0.000 0.567 53 H N -2.663 116.550 119.070 0.238 0.000 2.895 53 H HA 0.685 5.241 4.556 -0.000 0.000 0.373 53 H C -1.583 173.848 175.328 0.171 0.000 1.174 53 H CA -1.351 54.816 56.048 0.199 0.000 1.144 53 H CB 0.357 30.187 29.762 0.114 0.000 1.793 53 H HN 0.337 nan 8.280 nan 0.000 0.551 54 V N 1.619 121.690 119.914 0.262 0.000 2.572 54 V HA 0.070 4.190 4.120 -0.000 0.000 0.291 54 V C 0.416 176.637 176.094 0.212 0.000 1.039 54 V CA -0.038 62.361 62.300 0.165 0.000 1.055 54 V CB 0.657 32.595 31.823 0.192 0.000 0.969 54 V HN 0.868 nan 8.190 nan 0.000 0.482 55 E N 3.746 123.997 120.200 0.084 0.000 2.109 55 E HA 0.554 4.904 4.350 -0.000 0.000 0.278 55 E C 0.450 177.101 176.600 0.084 0.000 0.954 55 E CA 0.778 57.249 56.400 0.118 0.000 0.779 55 E CB 0.847 30.570 29.700 0.039 0.000 1.093 55 E HN 1.024 nan 8.360 nan 0.000 0.401 56 G N 4.111 112.964 108.800 0.090 0.000 2.525 56 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.248 56 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.248 56 G C -0.511 174.423 174.900 0.056 0.000 1.238 56 G CA -0.234 44.902 45.100 0.060 0.000 0.926 56 G HN 0.626 nan 8.290 nan 0.000 0.574 57 N N -0.401 118.326 118.700 0.045 0.000 2.443 57 N HA 0.657 5.396 4.740 -0.000 0.000 0.293 57 N C -0.036 175.505 175.510 0.050 0.000 1.159 57 N CA -0.680 52.394 53.050 0.039 0.000 0.904 57 N CB 1.257 39.761 38.487 0.029 0.000 1.214 57 N HN 0.459 nan 8.380 nan 0.000 0.513 58 L N 0.600 121.850 121.223 0.044 0.000 2.417 58 L HA 0.259 4.598 4.340 -0.000 0.000 0.268 58 L C 0.019 176.941 176.870 0.086 0.000 1.158 58 L CA -0.169 54.717 54.840 0.077 0.000 0.819 58 L CB 0.569 42.634 42.059 0.010 0.000 1.112 58 L HN 0.198 nan 8.230 nan 0.000 0.458 59 V N 3.169 123.164 119.914 0.134 0.000 2.384 59 V HA 0.334 4.454 4.120 -0.000 0.000 0.287 59 V C 0.121 176.316 176.094 0.168 0.000 1.020 59 V CA -1.042 61.328 62.300 0.117 0.000 0.850 59 V CB 1.290 33.168 31.823 0.092 0.000 0.987 59 V HN 0.672 nan 8.190 nan 0.000 0.436 60 N N 3.339 122.124 118.700 0.143 0.000 2.492 60 N HA 0.241 4.981 4.740 -0.000 0.000 0.262 60 N C 0.255 175.854 175.510 0.149 0.000 1.202 60 N CA 0.205 53.360 53.050 0.174 0.000 0.926 60 N CB 1.619 40.182 38.487 0.127 0.000 1.078 60 N HN 0.878 nan 8.380 nan 0.000 0.454 61 T N -1.318 113.340 114.554 0.172 0.000 2.910 61 T HA 0.296 4.645 4.350 -0.000 0.000 0.287 61 T C 0.997 175.787 174.700 0.151 0.000 1.050 61 T CA -0.808 61.370 62.100 0.131 0.000 1.011 61 T CB 1.081 70.012 68.868 0.105 0.000 1.195 61 T HN 0.350 nan 8.240 nan 0.000 0.540 62 N N -0.011 118.768 118.700 0.131 0.000 2.149 62 N HA -0.068 4.671 4.740 -0.000 0.000 0.188 62 N C 1.964 177.610 175.510 0.228 0.000 1.019 62 N CA 1.213 54.351 53.050 0.147 0.000 0.857 62 N CB -0.196 38.355 38.487 0.108 0.000 0.997 62 N HN 0.734 nan 8.380 nan 0.000 0.426 63 A N -0.576 122.401 122.820 0.261 0.000 2.030 63 A HA 0.418 4.738 4.320 -0.000 0.000 0.215 63 A C 1.401 179.164 177.584 0.298 0.000 1.164 63 A CA 1.346 53.603 52.037 0.367 0.000 0.697 63 A CB 0.104 19.327 19.000 0.371 0.000 0.827 63 A HN 0.421 nan 8.150 nan 0.000 0.457 64 G N -1.585 107.373 108.800 0.264 0.000 2.445 64 G HA2 0.395 4.355 3.960 -0.000 0.000 0.104 64 G HA3 0.395 4.355 3.960 -0.000 0.000 0.104 64 G C -0.444 174.678 174.900 0.370 0.000 0.958 64 G CA 0.123 45.435 45.100 0.353 0.000 1.324 64 G HN 1.048 nan 8.290 nan 0.000 0.549 65 F N 0.223 120.230 119.950 0.095 0.000 2.693 65 F HA 0.798 5.325 4.527 -0.000 0.000 0.309 65 F C -0.470 175.347 175.800 0.028 0.000 1.129 65 F CA -0.377 57.668 58.000 0.075 0.000 0.948 65 F CB 1.450 40.506 39.000 0.094 0.000 1.315 65 F HN 0.669 nan 8.300 nan 0.000 0.447 66 T N -0.232 114.433 114.554 0.184 0.000 2.924 66 T HA 0.946 5.295 4.350 -0.000 0.000 0.291 66 T C -0.858 173.968 174.700 0.209 0.000 1.045 66 T CA -0.455 61.694 62.100 0.081 0.000 1.015 66 T CB 1.680 70.557 68.868 0.016 0.000 1.103 66 T HN 1.590 nan 8.240 nan 0.000 0.496 67 A N 1.605 124.502 122.820 0.128 0.000 2.475 67 A HA 0.792 5.112 4.320 -0.000 0.000 0.301 67 A C -0.530 177.052 177.584 -0.004 0.000 1.059 67 A CA -1.147 50.954 52.037 0.106 0.000 0.710 67 A CB 1.401 20.507 19.000 0.177 0.000 1.288 67 A HN 0.845 nan 8.150 nan 0.000 0.408 68 R N 0.970 121.463 120.500 -0.012 0.000 2.265 68 R HA 0.594 4.934 4.340 -0.000 0.000 0.319 68 R C -1.099 175.147 176.300 -0.090 0.000 1.006 68 R CA -0.204 55.860 56.100 -0.060 0.000 0.880 68 R CB 0.981 31.260 30.300 -0.036 0.000 1.077 68 R HN 0.625 nan 8.270 nan 0.000 0.454 69 L N 2.702 123.834 121.223 -0.152 0.000 2.334 69 L HA 0.555 4.895 4.340 -0.000 0.000 0.276 69 L C -0.247 176.583 176.870 -0.067 0.000 1.014 69 L CA -0.810 53.935 54.840 -0.159 0.000 0.815 69 L CB 1.789 43.646 42.059 -0.337 0.000 1.268 69 L HN 0.443 nan 8.230 nan 0.000 0.428 70 K N 1.803 122.091 120.400 -0.186 0.000 2.427 70 K HA 0.342 4.662 4.320 -0.000 0.000 0.252 70 K C -0.977 175.398 176.600 -0.376 0.000 0.931 70 K CA -0.746 55.379 56.287 -0.269 0.000 0.793 70 K CB 1.821 34.090 32.500 -0.386 0.000 1.211 70 K HN 0.424 nan 8.250 nan 0.000 0.426 71 N N 3.922 122.368 118.700 -0.424 0.000 2.444 71 N HA 0.146 4.886 4.740 -0.000 0.000 0.271 71 N C -0.882 174.481 175.510 -0.245 0.000 1.069 71 N CA -0.440 52.216 53.050 -0.657 0.000 0.965 71 N CB 0.531 38.565 38.487 -0.755 0.000 1.092 71 N HN 0.450 nan 8.380 nan 0.000 0.476 72 L N 5.689 126.831 121.223 -0.135 0.000 2.456 72 L HA 0.233 4.573 4.340 -0.000 0.000 0.277 72 L C -1.640 175.184 176.870 -0.076 0.000 1.124 72 L CA -1.383 53.441 54.840 -0.028 0.000 0.880 72 L CB -0.158 41.912 42.059 0.019 0.000 1.192 72 L HN 0.477 nan 8.230 nan 0.000 0.463 73 P HA 0.053 nan 4.420 nan 0.000 0.257 73 P C 0.082 177.343 177.300 -0.064 0.000 1.227 73 P CA 0.216 63.280 63.100 -0.061 0.000 0.981 73 P CB 0.453 32.129 31.700 -0.040 0.000 1.044 74 S N 1.750 117.409 115.700 -0.069 0.000 2.607 74 S HA 0.566 5.036 4.470 -0.000 0.000 0.272 74 S C 0.457 175.034 174.600 -0.038 0.000 1.166 74 S CA -0.390 57.774 58.200 -0.060 0.000 1.021 74 S CB 0.546 63.717 63.200 -0.048 0.000 1.113 74 S HN 0.597 nan 8.310 nan 0.000 0.531 75 S N 0.402 116.081 115.700 -0.034 0.000 2.549 75 S HA 0.618 5.088 4.470 -0.000 0.000 0.280 75 S C -3.253 171.326 174.600 -0.036 0.000 1.109 75 S CA -1.538 56.644 58.200 -0.030 0.000 0.905 75 S CB 0.550 63.729 63.200 -0.035 0.000 1.081 75 S HN 0.350 nan 8.310 nan 0.000 0.477 76 P HA 0.132 nan 4.420 nan 0.000 0.260 76 P C 0.075 177.317 177.300 -0.096 0.000 1.172 76 P CA -0.089 62.993 63.100 -0.030 0.000 0.760 76 P CB 0.399 32.095 31.700 -0.006 0.000 0.773 77 V N 2.163 121.975 119.914 -0.170 0.000 2.950 77 V HA 0.151 4.271 4.120 -0.000 0.000 0.231 77 V C 0.744 176.532 176.094 -0.509 0.000 1.205 77 V CA 0.618 62.663 62.300 -0.425 0.000 1.239 77 V CB -0.422 31.012 31.823 -0.649 0.000 1.050 77 V HN 0.367 nan 8.190 nan 0.000 0.498 78 F N 1.445 121.359 119.950 -0.060 0.000 2.848 78 F HA 0.671 5.197 4.527 -0.000 0.000 0.321 78 F C 0.977 176.825 175.800 0.081 0.000 1.281 78 F CA 0.260 58.254 58.000 -0.011 0.000 1.209 78 F CB 0.506 39.432 39.000 -0.123 0.000 1.152 78 F HN 0.358 nan 8.300 nan 0.000 0.521 79 G N 0.237 109.142 108.800 0.175 0.000 2.627 79 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.214 79 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.214 79 G C -0.400 174.577 174.900 0.128 0.000 1.331 79 G CA -0.682 44.506 45.100 0.146 0.000 0.891 79 G HN 0.350 nan 8.290 nan 0.000 0.539 80 S N 0.463 116.234 115.700 0.120 0.000 2.555 80 S HA 0.229 4.698 4.470 -0.000 0.000 0.293 80 S C 0.873 175.564 174.600 0.153 0.000 1.248 80 S CA -0.049 58.217 58.200 0.110 0.000 1.096 80 S CB -0.387 62.869 63.200 0.094 0.000 0.881 80 S HN 0.683 nan 8.310 nan 0.000 0.498 81 N N 3.089 121.870 118.700 0.135 0.000 2.479 81 N HA 0.096 4.836 4.740 -0.000 0.000 0.257 81 N C -0.734 174.872 175.510 0.160 0.000 1.232 81 N CA 0.054 53.205 53.050 0.169 0.000 0.920 81 N CB 1.039 39.593 38.487 0.111 0.000 1.105 81 N HN 0.418 nan 8.380 nan 0.000 0.444 82 V N 3.120 123.165 119.914 0.219 0.000 2.318 82 V HA 0.079 4.199 4.120 -0.000 0.000 0.271 82 V C 0.590 176.749 176.094 0.109 0.000 1.030 82 V CA -0.469 61.903 62.300 0.121 0.000 0.844 82 V CB 1.197 33.042 31.823 0.037 0.000 1.015 82 V HN 0.553 nan 8.190 nan 0.000 0.460 83 D N 2.979 123.402 120.400 0.038 0.000 2.234 83 D HA -0.003 4.637 4.640 -0.000 0.000 0.205 83 D C 0.428 176.735 176.300 0.011 0.000 0.962 83 D CA 1.113 55.110 54.000 -0.006 0.000 0.855 83 D CB 0.175 40.957 40.800 -0.030 0.000 0.951 83 D HN 0.541 nan 8.370 nan 0.000 0.500 84 N N -0.248 118.444 118.700 -0.013 0.000 2.524 84 N HA 0.326 5.066 4.740 -0.000 0.000 0.261 84 N C -1.298 174.124 175.510 -0.147 0.000 0.998 84 N CA -0.297 52.721 53.050 -0.053 0.000 0.915 84 N CB 2.553 41.005 38.487 -0.060 0.000 1.187 84 N HN -0.271 nan 8.380 nan 0.000 0.507 85 V N 2.442 122.241 119.914 -0.192 0.000 2.513 85 V HA 0.429 4.549 4.120 -0.000 0.000 0.299 85 V C -0.451 175.459 176.094 -0.307 0.000 1.035 85 V CA -0.863 61.193 62.300 -0.407 0.000 0.889 85 V CB 1.726 33.144 31.823 -0.675 0.000 0.988 85 V HN 0.460 nan 8.190 nan 0.000 0.440 86 L N 5.623 126.680 121.223 -0.278 0.000 2.282 86 L HA 0.628 4.968 4.340 -0.000 0.000 0.288 86 L C -0.701 176.053 176.870 -0.194 0.000 1.033 86 L CA -0.168 54.555 54.840 -0.194 0.000 0.807 86 L CB 1.383 43.358 42.059 -0.140 0.000 1.209 86 L HN 0.640 nan 8.230 nan 0.000 0.423 87 L N 4.928 126.050 121.223 -0.168 0.000 2.282 87 L HA 0.643 4.983 4.340 -0.000 0.000 0.288 87 L C -0.591 176.186 176.870 -0.155 0.000 1.033 87 L CA 0.451 55.209 54.840 -0.136 0.000 0.807 87 L CB 1.518 43.525 42.059 -0.086 0.000 1.209 87 L HN 0.699 nan 8.230 nan 0.000 0.423 88 T N 4.944 119.364 114.554 -0.224 0.000 2.812 88 T HA 0.827 5.177 4.350 -0.000 0.000 0.282 88 T C -0.677 173.732 174.700 -0.484 0.000 0.990 88 T CA -0.348 61.567 62.100 -0.309 0.000 0.960 88 T CB 1.446 70.165 68.868 -0.248 0.000 0.948 88 T HN 0.824 nan 8.240 nan 0.000 0.438 89 A N 3.364 125.778 122.820 -0.675 0.000 2.330 89 A HA 0.737 5.057 4.320 -0.000 0.000 0.313 89 A C -0.564 176.640 177.584 -0.634 0.000 1.124 89 A CA -0.844 50.694 52.037 -0.831 0.000 0.774 89 A CB 0.972 19.221 19.000 -1.252 0.000 1.198 89 A HN 0.803 nan 8.150 nan 0.000 0.465 90 E N 1.557 121.402 120.200 -0.592 0.000 2.191 90 E HA 0.314 4.664 4.350 -0.000 0.000 0.263 90 E C -1.730 174.686 176.600 -0.306 0.000 0.881 90 E CA -0.462 55.693 56.400 -0.408 0.000 0.757 90 E CB 1.563 31.009 29.700 -0.424 0.000 1.147 90 E HN 0.625 nan 8.360 nan 0.000 0.414 91 Y N 2.838 123.172 120.300 0.058 0.000 2.570 91 Y HA 0.017 4.567 4.550 -0.000 0.000 0.336 91 Y C 1.472 177.354 175.900 -0.030 0.000 1.284 91 Y CA 0.035 58.267 58.100 0.220 0.000 1.761 91 Y CB -0.162 38.435 38.460 0.230 0.000 1.724 91 Y HN 0.536 nan 8.280 nan 0.000 0.455 92 Q N 0.806 120.545 119.800 -0.101 0.000 2.079 92 Q HA -0.076 4.263 4.340 -0.000 0.000 0.200 92 Q C 0.790 176.859 176.000 0.116 0.000 0.974 92 Q CA 1.575 57.179 55.803 -0.333 0.000 0.840 92 Q CB 0.135 28.698 28.738 -0.292 0.000 0.898 92 Q HN 0.652 nan 8.270 nan 0.000 0.430 93 T N -5.194 109.494 114.554 0.223 0.000 2.816 93 T HA 0.278 4.627 4.350 -0.000 0.000 0.299 93 T C 0.526 175.406 174.700 0.299 0.000 1.230 93 T CA -0.485 61.759 62.100 0.240 0.000 1.007 93 T CB 1.478 70.473 68.868 0.211 0.000 1.289 93 T HN -0.123 nan 8.240 nan 0.000 0.508 94 S N 0.800 116.628 115.700 0.213 0.000 2.420 94 S HA -0.097 4.373 4.470 -0.000 0.000 0.237 94 S C 1.332 176.128 174.600 0.327 0.000 1.023 94 S CA 1.340 59.644 58.200 0.174 0.000 0.991 94 S CB -0.448 62.815 63.200 0.105 0.000 0.792 94 S HN 0.747 nan 8.310 nan 0.000 0.488 95 N N -0.114 118.804 118.700 0.363 0.000 2.159 95 N HA 0.144 4.884 4.740 -0.000 0.000 0.217 95 N C 0.067 175.782 175.510 0.342 0.000 1.223 95 N CA 0.001 53.275 53.050 0.374 0.000 0.896 95 N CB 0.930 39.572 38.487 0.259 0.000 1.064 95 N HN 0.236 nan 8.380 nan 0.000 0.518 96 R N 0.758 121.459 120.500 0.335 0.000 2.502 96 R HA 0.279 4.618 4.340 -0.000 0.000 0.300 96 R C -1.818 174.547 176.300 0.108 0.000 0.984 96 R CA -0.472 55.727 56.100 0.165 0.000 0.882 96 R CB 1.074 31.518 30.300 0.240 0.000 1.180 96 R HN -0.198 nan 8.270 nan 0.000 0.444 97 F N 3.568 123.303 119.950 -0.359 0.000 2.480 97 F HA 0.438 4.965 4.527 -0.000 0.000 0.329 97 F C -1.014 174.644 175.800 -0.237 0.000 1.091 97 F CA -0.772 57.004 58.000 -0.374 0.000 0.972 97 F CB 1.305 39.882 39.000 -0.705 0.000 1.150 97 F HN 0.645 nan 8.300 nan 0.000 0.467 98 H N 6.094 124.505 119.070 -1.098 0.000 2.667 98 H HA 0.552 5.108 4.556 -0.000 0.000 0.353 98 H C -1.794 172.748 175.328 -1.311 0.000 1.072 98 H CA -1.140 54.221 56.048 -1.145 0.000 1.214 98 H CB 1.203 30.453 29.762 -0.853 0.000 1.600 98 H HN 0.501 nan 8.280 nan 0.000 0.527 99 F N 2.478 121.554 119.950 -1.457 0.000 2.591 99 F HA 0.658 5.185 4.527 -0.000 0.000 0.309 99 F C -1.718 173.564 175.800 -0.864 0.000 1.098 99 F CA -1.036 56.269 58.000 -1.158 0.000 0.937 99 F CB 1.568 40.066 39.000 -0.836 0.000 1.250 99 F HN 0.525 nan 8.300 nan 0.000 0.447 100 K N 3.561 123.605 120.400 -0.594 0.000 2.426 100 K HA 0.780 5.100 4.320 -0.000 0.000 0.251 100 K C -1.962 174.558 176.600 -0.133 0.000 0.941 100 K CA -0.932 55.116 56.287 -0.399 0.000 0.808 100 K CB 2.841 35.094 32.500 -0.411 0.000 1.265 100 K HN 0.822 nan 8.250 nan 0.000 0.432 101 L N 2.495 123.709 121.223 -0.014 0.000 2.298 101 L HA 0.456 4.796 4.340 -0.000 0.000 0.284 101 L C -0.300 176.673 176.870 0.172 0.000 1.013 101 L CA -0.341 54.543 54.840 0.073 0.000 0.824 101 L CB 1.804 43.993 42.059 0.217 0.000 1.221 101 L HN 0.977 nan 8.230 nan 0.000 0.418 102 T N -2.286 112.247 114.554 -0.036 0.000 2.888 102 T HA 0.365 4.715 4.350 -0.000 0.000 0.288 102 T C -0.753 173.758 174.700 -0.315 0.000 1.063 102 T CA -0.914 61.168 62.100 -0.031 0.000 1.010 102 T CB 2.129 70.968 68.868 -0.050 0.000 1.214 102 T HN 0.310 nan 8.240 nan 0.000 0.533 103 D N 0.281 120.548 120.400 -0.220 0.000 2.317 103 D HA 0.164 4.804 4.640 -0.000 0.000 0.252 103 D C 1.167 177.374 176.300 -0.155 0.000 1.174 103 D CA 0.002 53.845 54.000 -0.262 0.000 0.866 103 D CB 1.391 42.130 40.800 -0.102 0.000 1.127 103 D HN 0.605 nan 8.370 nan 0.000 0.467 104 Q N 1.541 121.242 119.800 -0.165 0.000 2.152 104 Q HA -0.177 4.163 4.340 -0.000 0.000 0.206 104 Q C 1.527 177.488 176.000 -0.066 0.000 0.985 104 Q CA 2.058 57.797 55.803 -0.107 0.000 0.863 104 Q CB 0.182 28.861 28.738 -0.097 0.000 0.904 104 Q HN 0.690 nan 8.270 nan 0.000 0.422 105 T N -3.886 110.635 114.554 -0.055 0.000 3.022 105 T HA 0.150 4.500 4.350 -0.000 0.000 0.250 105 T C 0.079 174.770 174.700 -0.015 0.000 1.060 105 T CA -0.180 61.902 62.100 -0.030 0.000 1.013 105 T CB 0.219 69.073 68.868 -0.023 0.000 0.982 105 T HN 0.050 nan 8.240 nan 0.000 0.508 106 N N 1.004 119.696 118.700 -0.014 0.000 2.310 106 N HA 0.389 5.129 4.740 -0.000 0.000 0.292 106 N C -1.559 173.959 175.510 0.013 0.000 1.049 106 N CA -0.770 52.284 53.050 0.008 0.000 0.849 106 N CB 1.447 39.950 38.487 0.027 0.000 1.532 106 N HN 0.209 nan 8.380 nan 0.000 0.479 107 N N 1.163 119.872 118.700 0.016 0.000 2.492 107 N HA 0.220 4.960 4.740 -0.000 0.000 0.260 107 N C -0.446 175.095 175.510 0.051 0.000 1.215 107 N CA 0.204 53.266 53.050 0.019 0.000 0.923 107 N CB 0.862 39.355 38.487 0.009 0.000 1.092 107 N HN 0.280 nan 8.380 nan 0.000 0.448 108 R N 0.609 121.144 120.500 0.058 0.000 2.905 108 R HA 0.329 4.668 4.340 -0.000 0.000 0.260 108 R C -0.960 175.398 176.300 0.097 0.000 1.086 108 R CA -0.941 55.226 56.100 0.112 0.000 0.978 108 R CB 1.123 31.515 30.300 0.153 0.000 1.215 108 R HN 0.408 nan 8.270 nan 0.000 0.480 109 F N 1.896 121.869 119.950 0.038 0.000 2.572 109 F HA 0.032 4.559 4.527 -0.000 0.000 0.370 109 F C -0.298 175.494 175.800 -0.013 0.000 1.103 109 F CA 0.771 58.782 58.000 0.018 0.000 1.286 109 F CB 0.499 39.526 39.000 0.045 0.000 1.105 109 F HN 0.295 nan 8.300 nan 0.000 0.583 110 E N 4.509 124.029 120.200 -1.132 0.000 2.275 110 E HA 0.291 4.641 4.350 -0.000 0.000 0.270 110 E C -1.212 174.696 176.600 -1.155 0.000 0.882 110 E CA -1.157 54.747 56.400 -0.828 0.000 0.758 110 E CB 2.206 31.660 29.700 -0.410 0.000 1.195 110 E HN 0.339 nan 8.360 nan 0.000 0.419 111 V N 4.175 123.680 119.914 -0.682 0.000 2.509 111 V HA 0.014 4.134 4.120 -0.000 0.000 0.297 111 V C -1.721 174.136 176.094 -0.394 0.000 1.014 111 V CA -0.552 61.497 62.300 -0.418 0.000 1.127 111 V CB -0.379 31.391 31.823 -0.088 0.000 0.925 111 V HN 0.590 nan 8.190 nan 0.000 0.480 112 P HA 0.123 nan 4.420 nan 0.000 0.225 112 P C 0.081 177.093 177.300 -0.480 0.000 1.813 112 P CA -0.235 62.500 63.100 -0.609 0.000 1.013 112 P CB -0.161 30.917 31.700 -1.036 0.000 1.961 113 H N 2.374 121.303 119.070 -0.236 0.000 2.928 113 H HA -0.026 4.530 4.556 -0.000 0.000 0.338 113 H C 1.142 176.534 175.328 0.106 0.000 1.047 113 H CA 0.574 56.617 56.048 -0.007 0.000 1.435 113 H CB 1.067 30.863 29.762 0.056 0.000 1.428 113 H HN 0.281 nan 8.280 nan 0.000 0.590 114 E N 3.689 123.914 120.200 0.041 0.000 2.274 114 E HA -0.182 4.167 4.350 -0.000 0.000 0.194 114 E C 0.904 177.639 176.600 0.225 0.000 0.996 114 E CA 1.044 57.547 56.400 0.173 0.000 0.840 114 E CB 0.183 30.023 29.700 0.234 0.000 0.772 114 E HN 0.787 nan 8.360 nan 0.000 0.491 115 H N -1.011 118.189 119.070 0.215 0.000 2.430 115 H HA 0.214 4.770 4.556 -0.000 0.000 0.297 115 H C 0.260 175.711 175.328 0.206 0.000 1.016 115 H CA 0.448 56.636 56.048 0.232 0.000 1.294 115 H CB 0.370 30.262 29.762 0.217 0.000 1.465 115 H HN -0.170 nan 8.280 nan 0.000 0.547 116 V N 3.220 123.368 119.914 0.390 0.000 2.599 116 V HA 0.011 4.131 4.120 -0.000 0.000 0.300 116 V C 0.020 176.131 176.094 0.029 0.000 1.034 116 V CA 0.571 62.917 62.300 0.078 0.000 1.115 116 V CB 0.915 32.711 31.823 -0.045 0.000 0.934 116 V HN 0.487 nan 8.190 nan 0.000 0.485 117 Q N 2.301 122.086 119.800 -0.025 0.000 2.297 117 Q HA 0.500 4.840 4.340 -0.000 0.000 0.269 117 Q C 0.064 176.079 176.000 0.024 0.000 1.051 117 Q CA -0.661 55.135 55.803 -0.012 0.000 0.869 117 Q CB 2.015 30.731 28.738 -0.038 0.000 1.346 117 Q HN 0.892 nan 8.270 nan 0.000 0.457 118 S N 0.129 115.846 115.700 0.027 0.000 2.584 118 S HA 0.262 4.732 4.470 -0.000 0.000 0.270 118 S C -0.469 174.203 174.600 0.120 0.000 1.346 118 S CA -0.561 57.679 58.200 0.066 0.000 1.018 118 S CB 0.364 63.585 63.200 0.036 0.000 0.899 118 S HN 0.468 nan 8.310 nan 0.000 0.542 119 F N 2.058 122.012 119.950 0.005 0.000 2.404 119 F HA 0.574 5.101 4.527 -0.000 0.000 0.339 119 F C 0.262 176.074 175.800 0.019 0.000 1.105 119 F CA -0.214 57.798 58.000 0.020 0.000 1.087 119 F CB 1.295 40.321 39.000 0.044 0.000 1.143 119 F HN 0.881 nan 8.300 nan 0.000 0.491 120 S N 3.996 119.294 115.700 -0.670 0.000 2.599 120 S HA 0.928 5.397 4.470 -0.000 0.000 0.294 120 S C -0.055 174.102 174.600 -0.739 0.000 1.094 120 S CA -0.254 57.647 58.200 -0.499 0.000 0.931 120 S CB 1.239 64.293 63.200 -0.244 0.000 1.093 120 S HN 1.821 nan 8.310 nan 0.000 0.488 121 G N 1.894 110.481 108.800 -0.356 0.000 2.562 121 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.250 121 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.250 121 G C -0.967 173.887 174.900 -0.078 0.000 1.269 121 G CA -0.285 44.684 45.100 -0.219 0.000 0.919 121 G HN 0.951 nan 8.290 nan 0.000 0.574 122 N N 0.861 119.596 118.700 0.058 0.000 2.466 122 N HA 0.634 5.373 4.740 -0.000 0.000 0.294 122 N C 0.687 176.426 175.510 0.383 0.000 1.129 122 N CA 0.341 53.516 53.050 0.208 0.000 0.931 122 N CB 1.437 39.998 38.487 0.123 0.000 1.193 122 N HN 1.263 nan 8.380 nan 0.000 0.500 123 A N 0.690 123.722 122.820 0.353 0.000 2.540 123 A HA 0.407 4.727 4.320 -0.000 0.000 0.239 123 A C 0.610 178.332 177.584 0.230 0.000 1.061 123 A CA -0.222 52.020 52.037 0.342 0.000 0.758 123 A CB -0.318 18.877 19.000 0.325 0.000 0.991 123 A HN 0.736 nan 8.150 nan 0.000 0.502 124 A N 1.840 124.796 122.820 0.227 0.000 2.425 124 A HA 0.557 4.877 4.320 -0.000 0.000 0.242 124 A C 0.934 178.544 177.584 0.043 0.000 1.077 124 A CA 0.258 52.385 52.037 0.151 0.000 0.781 124 A CB -0.172 18.930 19.000 0.170 0.000 1.020 124 A HN 2.168 nan 8.150 nan 0.000 0.494 125 A N 0.643 123.481 122.820 0.030 0.000 2.259 125 A HA 0.566 4.886 4.320 -0.000 0.000 0.278 125 A C 0.944 178.503 177.584 -0.041 0.000 1.107 125 A CA 0.295 52.322 52.037 -0.017 0.000 0.828 125 A CB -0.412 18.589 19.000 0.001 0.000 1.111 125 A HN 2.119 nan 8.150 nan 0.000 0.498 126 S N -1.196 114.464 115.700 -0.066 0.000 3.524 126 S HA -0.135 4.335 4.470 -0.000 0.000 0.377 126 S C 0.004 174.545 174.600 -0.098 0.000 0.949 126 S CA 0.700 58.859 58.200 -0.068 0.000 1.264 126 S CB -2.035 61.149 63.200 -0.026 0.000 0.918 126 S HN 0.580 nan 8.310 nan 0.000 0.517 127 L N 1.166 122.269 121.223 -0.201 0.000 2.453 127 L HA 0.171 4.511 4.340 -0.000 0.000 0.272 127 L C 1.936 178.647 176.870 -0.266 0.000 1.182 127 L CA 0.322 54.952 54.840 -0.349 0.000 0.858 127 L CB 0.285 41.938 42.059 -0.678 0.000 1.120 127 L HN 0.575 nan 8.230 nan 0.000 0.474 128 T N -1.713 112.742 114.554 -0.165 0.000 3.100 128 T HA 0.057 4.407 4.350 -0.000 0.000 0.253 128 T C 0.093 174.803 174.700 0.016 0.000 1.118 128 T CA 0.118 62.210 62.100 -0.014 0.000 1.058 128 T CB -0.260 68.677 68.868 0.115 0.000 0.953 128 T HN 0.493 nan 8.240 nan 0.000 0.515 129 Y N -0.330 119.965 120.300 -0.009 0.000 2.570 129 Y HA 0.782 5.332 4.550 -0.000 0.000 0.345 129 Y C -0.457 175.399 175.900 -0.073 0.000 1.014 129 Y CA -1.832 56.242 58.100 -0.043 0.000 1.063 129 Y CB 1.373 39.808 38.460 -0.040 0.000 1.272 129 Y HN 0.062 nan 8.280 nan 0.000 0.477 130 Q N 1.365 121.184 119.800 0.031 0.000 2.394 130 Q HA 0.753 5.093 4.340 -0.000 0.000 0.273 130 Q C -2.156 173.843 176.000 -0.002 0.000 1.089 130 Q CA -1.084 54.700 55.803 -0.032 0.000 0.812 130 Q CB 2.752 31.445 28.738 -0.075 0.000 1.353 130 Q HN 0.784 nan 8.270 nan 0.000 0.438 131 V N 2.594 122.499 119.914 -0.015 0.000 2.495 131 V HA 0.447 4.567 4.120 -0.000 0.000 0.298 131 V C -0.788 175.250 176.094 -0.094 0.000 1.031 131 V CA -0.617 61.620 62.300 -0.104 0.000 0.871 131 V CB 1.599 33.298 31.823 -0.206 0.000 0.988 131 V HN 0.856 nan 8.190 nan 0.000 0.432 132 E N 4.683 124.813 120.200 -0.117 0.000 2.210 132 E HA 0.580 4.929 4.350 -0.000 0.000 0.266 132 E C -1.556 174.957 176.600 -0.144 0.000 0.883 132 E CA -0.640 55.682 56.400 -0.129 0.000 0.761 132 E CB 1.545 31.181 29.700 -0.107 0.000 1.156 132 E HN 0.500 nan 8.360 nan 0.000 0.412 133 I N 3.190 123.668 120.570 -0.154 0.000 2.404 133 I HA 0.325 4.495 4.170 -0.000 0.000 0.293 133 I C -0.279 175.774 176.117 -0.107 0.000 0.992 133 I CA -0.695 60.526 61.300 -0.131 0.000 1.149 133 I CB 1.301 39.261 38.000 -0.068 0.000 1.315 133 I HN 0.494 nan 8.210 nan 0.000 0.446 134 S N 5.983 121.605 115.700 -0.130 0.000 2.549 134 S HA 0.531 5.001 4.470 -0.000 0.000 0.297 134 S C 0.892 175.500 174.600 0.014 0.000 1.115 134 S CA -0.719 57.442 58.200 -0.066 0.000 1.059 134 S CB 2.137 65.287 63.200 -0.083 0.000 1.046 134 S HN 0.554 nan 8.310 nan 0.000 0.506 135 R N 0.529 121.071 120.500 0.070 0.000 2.250 135 R HA 0.224 4.564 4.340 -0.000 0.000 0.194 135 R C -0.278 176.137 176.300 0.192 0.000 0.927 135 R CA 0.129 56.326 56.100 0.161 0.000 1.052 135 R CB 0.213 30.594 30.300 0.136 0.000 1.055 135 R HN 0.384 nan 8.270 nan 0.000 0.537 136 Q N 1.686 121.558 119.800 0.120 0.000 3.064 136 Q HA 0.341 4.680 4.340 -0.000 0.000 0.258 136 Q C -2.384 173.667 176.000 0.085 0.000 0.972 136 Q CA -1.392 54.476 55.803 0.108 0.000 0.761 136 Q CB 1.735 30.503 28.738 0.049 0.000 1.281 136 Q HN 0.169 nan 8.270 nan 0.000 0.455 137 P HA 0.337 nan 4.420 nan 0.000 0.281 137 P C -0.358 177.062 177.300 0.201 0.000 1.281 137 P CA -0.759 62.458 63.100 0.195 0.000 0.811 137 P CB 0.872 32.690 31.700 0.197 0.000 1.154 138 F N 1.518 121.553 119.950 0.141 0.000 2.608 138 F HA 0.272 4.799 4.527 -0.000 0.000 0.380 138 F C 0.133 175.978 175.800 0.075 0.000 1.083 138 F CA 0.837 58.900 58.000 0.104 0.000 1.266 138 F CB 0.251 39.321 39.000 0.116 0.000 1.076 138 F HN 0.444 nan 8.300 nan 0.000 0.574 139 S N 6.836 122.041 115.700 -0.825 0.000 2.570 139 S HA 0.673 5.143 4.470 -0.000 0.000 0.270 139 S C -1.207 172.829 174.600 -0.941 0.000 1.149 139 S CA -1.033 56.627 58.200 -0.901 0.000 0.837 139 S CB 1.692 64.685 63.200 -0.344 0.000 1.124 139 S HN 0.926 nan 8.310 nan 0.000 0.465 140 I N 0.744 120.920 120.570 -0.657 0.000 2.545 140 I HA 0.703 4.873 4.170 -0.000 0.000 0.292 140 I C -1.213 174.813 176.117 -0.152 0.000 1.040 140 I CA -0.565 60.496 61.300 -0.399 0.000 1.068 140 I CB 1.753 39.477 38.000 -0.460 0.000 1.251 140 I HN 0.894 nan 8.210 nan 0.000 0.424 141 K N 6.344 126.670 120.400 -0.123 0.000 2.464 141 K HA 0.684 5.004 4.320 -0.000 0.000 0.253 141 K C -2.124 174.432 176.600 -0.073 0.000 0.933 141 K CA -0.643 55.617 56.287 -0.044 0.000 0.801 141 K CB 2.370 34.820 32.500 -0.084 0.000 1.271 141 K HN 0.455 nan 8.250 nan 0.000 0.430 142 V N 2.911 122.807 119.914 -0.030 0.000 2.483 142 V HA 0.411 4.531 4.120 -0.000 0.000 0.297 142 V C -0.325 175.719 176.094 -0.083 0.000 1.027 142 V CA -0.676 61.568 62.300 -0.094 0.000 0.855 142 V CB 1.512 33.261 31.823 -0.123 0.000 0.995 142 V HN 0.980 nan 8.190 nan 0.000 0.424 143 T N 1.885 116.405 114.554 -0.057 0.000 2.908 143 T HA 0.608 4.958 4.350 -0.000 0.000 0.290 143 T C -0.390 174.300 174.700 -0.017 0.000 1.034 143 T CA -0.888 61.175 62.100 -0.062 0.000 1.010 143 T CB 1.905 70.738 68.868 -0.058 0.000 1.068 143 T HN 0.621 nan 8.240 nan 0.000 0.481 144 R N 1.545 122.028 120.500 -0.028 0.000 2.316 144 R HA 0.286 4.626 4.340 -0.000 0.000 0.314 144 R C 1.448 177.749 176.300 0.001 0.000 1.069 144 R CA -0.417 55.690 56.100 0.011 0.000 0.959 144 R CB 0.390 30.694 30.300 0.007 0.000 0.987 144 R HN 0.766 nan 8.270 nan 0.000 0.446 145 R N 1.124 121.624 120.500 0.000 0.000 2.091 145 R HA -0.151 4.189 4.340 -0.000 0.000 0.238 145 R C 2.144 178.434 176.300 -0.016 0.000 1.136 145 R CA 2.141 58.226 56.100 -0.025 0.000 0.959 145 R CB -0.079 30.190 30.300 -0.052 0.000 0.856 145 R HN 0.769 nan 8.270 nan 0.000 0.437 146 S N 1.239 116.938 115.700 -0.002 0.000 2.399 146 S HA -0.119 4.350 4.470 -0.000 0.000 0.231 146 S C 1.209 175.812 174.600 0.005 0.000 1.022 146 S CA 1.436 59.638 58.200 0.003 0.000 0.983 146 S CB -0.151 63.058 63.200 0.015 0.000 0.803 146 S HN 0.473 nan 8.310 nan 0.000 0.480 147 N N -0.119 118.584 118.700 0.005 0.000 2.116 147 N HA 0.128 4.867 4.740 -0.000 0.000 0.230 147 N C -0.364 175.145 175.510 -0.003 0.000 1.326 147 N CA 0.032 53.086 53.050 0.006 0.000 0.867 147 N CB -0.749 37.748 38.487 0.017 0.000 1.174 147 N HN 0.191 nan 8.380 nan 0.000 0.506 148 N N 0.165 118.858 118.700 -0.012 0.000 2.753 148 N HA -0.231 4.509 4.740 -0.000 0.000 0.251 148 N C -0.419 175.075 175.510 -0.028 0.000 1.097 148 N CA 0.723 53.760 53.050 -0.022 0.000 0.786 148 N CB -0.998 37.475 38.487 -0.022 0.000 1.137 148 N HN 0.510 nan 8.380 nan 0.000 0.566 149 R N 1.165 121.649 120.500 -0.025 0.000 2.458 149 R HA 0.232 4.571 4.340 -0.000 0.000 0.303 149 R C -0.312 175.944 176.300 -0.074 0.000 1.013 149 R CA -0.005 56.074 56.100 -0.036 0.000 1.026 149 R CB 0.448 30.735 30.300 -0.021 0.000 0.948 149 R HN 0.002 nan 8.270 nan 0.000 0.417 150 V N 8.296 128.163 119.914 -0.078 0.000 2.415 150 V HA 0.013 4.133 4.120 -0.000 0.000 0.267 150 V C 1.292 177.282 176.094 -0.175 0.000 1.042 150 V CA 0.152 62.389 62.300 -0.106 0.000 1.000 150 V CB 0.476 32.249 31.823 -0.083 0.000 1.015 150 V HN 0.788 nan 8.190 nan 0.000 0.478 151 L N 4.344 125.396 121.223 -0.285 0.000 2.187 151 L HA 0.311 4.651 4.340 -0.000 0.000 0.197 151 L C 0.700 177.305 176.870 -0.443 0.000 1.090 151 L CA 0.822 55.257 54.840 -0.676 0.000 0.781 151 L CB -0.005 41.438 42.059 -1.027 0.000 0.956 151 L HN 0.467 nan 8.230 nan 0.000 0.463 152 F N 0.839 120.584 119.950 -0.343 0.000 2.421 152 F HA 0.379 4.906 4.527 -0.000 0.000 0.337 152 F C -0.741 174.978 175.800 -0.134 0.000 1.105 152 F CA -0.604 57.318 58.000 -0.130 0.000 1.049 152 F CB 1.204 40.163 39.000 -0.067 0.000 1.139 152 F HN -0.099 nan 8.300 nan 0.000 0.479 153 D N 2.728 122.948 120.400 -0.300 0.000 2.354 153 D HA 0.094 4.734 4.640 -0.000 0.000 0.230 153 D C 0.008 176.147 176.300 -0.269 0.000 1.361 153 D CA -0.095 53.800 54.000 -0.175 0.000 0.992 153 D CB 1.213 41.928 40.800 -0.142 0.000 1.409 153 D HN 0.423 nan 8.370 nan 0.000 0.573 154 S N 1.275 116.871 115.700 -0.174 0.000 2.603 154 S HA -0.081 4.388 4.470 -0.000 0.000 0.220 154 S C 1.701 176.238 174.600 -0.107 0.000 0.967 154 S CA 0.772 58.888 58.200 -0.140 0.000 0.920 154 S CB -0.232 62.977 63.200 0.015 0.000 0.773 154 S HN 0.341 nan 8.310 nan 0.000 0.529 155 S N 1.526 117.156 115.700 -0.116 0.000 2.500 155 S HA 0.037 4.507 4.470 -0.000 0.000 0.239 155 S C 1.580 176.158 174.600 -0.038 0.000 0.989 155 S CA 0.584 58.737 58.200 -0.078 0.000 0.951 155 S CB -0.850 62.302 63.200 -0.080 0.000 0.759 155 S HN 0.656 nan 8.310 nan 0.000 0.523 156 I N 1.259 121.798 120.570 -0.052 0.000 2.493 156 I HA 0.134 4.304 4.170 -0.000 0.000 0.254 156 I C 1.048 177.178 176.117 0.022 0.000 1.160 156 I CA 0.848 62.134 61.300 -0.024 0.000 1.445 156 I CB -0.412 37.552 38.000 -0.059 0.000 1.086 156 I HN 0.500 nan 8.210 nan 0.000 0.433 157 G N 0.174 108.982 108.800 0.012 0.000 2.766 157 G HA2 0.513 4.473 3.960 -0.000 0.000 0.288 157 G HA3 0.513 4.473 3.960 -0.000 0.000 0.288 157 G C -2.915 171.988 174.900 0.006 0.000 1.408 157 G CA -0.836 44.281 45.100 0.027 0.000 0.852 157 G HN -0.093 nan 8.290 nan 0.000 0.487 158 P HA 0.366 nan 4.420 nan 0.000 0.276 158 P C -0.830 176.507 177.300 0.062 0.000 1.261 158 P CA -0.518 62.562 63.100 -0.032 0.000 0.800 158 P CB 1.628 33.155 31.700 -0.288 0.000 1.066 159 L N 1.580 122.932 121.223 0.214 0.000 2.276 159 L HA 0.371 4.711 4.340 -0.000 0.000 0.286 159 L C -0.853 176.186 176.870 0.281 0.000 1.061 159 L CA -0.202 54.778 54.840 0.233 0.000 0.807 159 L CB -0.173 42.015 42.059 0.215 0.000 1.177 159 L HN 0.187 nan 8.230 nan 0.000 0.429 160 L N 6.260 127.623 121.223 0.233 0.000 2.333 160 L HA 0.488 4.828 4.340 -0.000 0.000 0.280 160 L C -1.016 176.062 176.870 0.346 0.000 1.004 160 L CA -0.299 54.745 54.840 0.339 0.000 0.820 160 L CB 1.597 43.855 42.059 0.331 0.000 1.247 160 L HN 0.626 nan 8.230 nan 0.000 0.416 161 F N 3.161 123.286 119.950 0.292 0.000 3.050 161 F HA 0.644 5.171 4.527 -0.000 0.000 0.382 161 F C -0.024 175.919 175.800 0.239 0.000 1.246 161 F CA -0.439 57.674 58.000 0.188 0.000 1.217 161 F CB 0.789 39.807 39.000 0.030 0.000 1.795 161 F HN 0.543 nan 8.300 nan 0.000 0.622 162 A N 2.112 125.199 122.820 0.445 0.000 2.288 162 A HA 0.319 4.639 4.320 -0.000 0.000 0.328 162 A C 0.754 178.531 177.584 0.320 0.000 1.123 162 A CA -0.347 51.922 52.037 0.388 0.000 0.861 162 A CB 0.855 20.075 19.000 0.366 0.000 1.272 162 A HN 0.630 nan 8.150 nan 0.000 0.490 163 D N -0.679 119.887 120.400 0.276 0.000 2.182 163 D HA -0.132 4.508 4.640 -0.000 0.000 0.201 163 D C 0.970 177.391 176.300 0.202 0.000 0.986 163 D CA 1.904 56.039 54.000 0.224 0.000 0.847 163 D CB 0.213 41.114 40.800 0.170 0.000 0.942 163 D HN 0.562 nan 8.370 nan 0.000 0.467 164 Q N -1.522 118.424 119.800 0.243 0.000 2.089 164 Q HA 0.200 4.539 4.340 -0.000 0.000 0.248 164 Q C -1.065 175.139 176.000 0.340 0.000 0.828 164 Q CA -0.313 55.655 55.803 0.274 0.000 1.102 164 Q CB 1.184 30.082 28.738 0.267 0.000 1.221 164 Q HN 0.149 nan 8.270 nan 0.000 0.455 165 F N 1.184 121.195 119.950 0.102 0.000 2.991 165 F HA 0.375 4.902 4.527 -0.000 0.000 0.355 165 F C -2.237 173.557 175.800 -0.009 0.000 1.262 165 F CA -0.752 57.269 58.000 0.034 0.000 1.127 165 F CB 1.015 40.073 39.000 0.097 0.000 1.447 165 F HN -0.147 nan 8.300 nan 0.000 0.584 166 L N 5.303 126.279 121.223 -0.412 0.000 2.385 166 L HA 0.661 5.001 4.340 -0.000 0.000 0.273 166 L C -0.791 175.836 176.870 -0.404 0.000 0.990 166 L CA -0.424 54.189 54.840 -0.377 0.000 0.821 166 L CB 2.111 43.863 42.059 -0.512 0.000 1.279 166 L HN 0.619 nan 8.230 nan 0.000 0.412 167 Q N 2.870 122.554 119.800 -0.194 0.000 2.309 167 Q HA 0.779 5.119 4.340 -0.000 0.000 0.273 167 Q C -2.120 173.926 176.000 0.076 0.000 1.040 167 Q CA -0.719 55.028 55.803 -0.094 0.000 0.834 167 Q CB 2.817 31.491 28.738 -0.106 0.000 1.345 167 Q HN 0.590 nan 8.270 nan 0.000 0.414 168 L N 1.614 122.943 121.223 0.176 0.000 2.445 168 L HA 0.643 4.983 4.340 -0.000 0.000 0.262 168 L C -1.500 175.485 176.870 0.191 0.000 0.974 168 L CA -0.039 54.936 54.840 0.225 0.000 0.822 168 L CB 2.718 44.992 42.059 0.357 0.000 1.339 168 L HN 0.686 nan 8.230 nan 0.000 0.409 169 S N 1.101 116.847 115.700 0.078 0.000 2.664 169 S HA 0.852 5.322 4.470 -0.000 0.000 0.304 169 S C -0.771 173.711 174.600 -0.197 0.000 1.099 169 S CA -0.601 57.583 58.200 -0.026 0.000 1.003 169 S CB 1.863 65.042 63.200 -0.036 0.000 1.092 169 S HN 0.716 nan 8.310 nan 0.000 0.525 170 T N 0.903 115.263 114.554 -0.322 0.000 2.952 170 T HA 0.420 4.770 4.350 -0.000 0.000 0.305 170 T C -0.708 173.789 174.700 -0.338 0.000 1.064 170 T CA -0.793 60.962 62.100 -0.575 0.000 1.008 170 T CB 0.685 68.778 68.868 -1.290 0.000 1.078 170 T HN 0.546 nan 8.240 nan 0.000 0.459 171 R N 2.518 122.849 120.500 -0.281 0.000 2.738 171 R HA 0.531 4.870 4.340 -0.000 0.000 0.268 171 R C -0.386 175.832 176.300 -0.138 0.000 1.062 171 R CA -0.299 55.689 56.100 -0.186 0.000 1.158 171 R CB 0.388 30.601 30.300 -0.146 0.000 1.046 171 R HN 0.504 nan 8.270 nan 0.000 0.493 172 L N 2.120 123.291 121.223 -0.087 0.000 2.381 172 L HA 0.337 4.676 4.340 -0.000 0.000 0.268 172 L C -1.510 175.370 176.870 0.017 0.000 0.997 172 L CA -1.954 52.898 54.840 0.021 0.000 0.818 172 L CB 2.587 44.619 42.059 -0.045 0.000 1.310 172 L HN 0.493 nan 8.230 nan 0.000 0.416 173 P HA -0.017 nan 4.420 nan 0.000 0.236 173 P C 0.058 177.375 177.300 0.028 0.000 1.177 173 P CA 0.552 63.683 63.100 0.052 0.000 0.773 173 P CB 0.465 32.215 31.700 0.084 0.000 0.878 174 S N -1.924 113.780 115.700 0.007 0.000 2.688 174 S HA 0.388 4.858 4.470 -0.000 0.000 0.275 174 S C 0.380 174.920 174.600 -0.101 0.000 1.175 174 S CA -0.112 58.063 58.200 -0.042 0.000 0.818 174 S CB 0.850 64.006 63.200 -0.073 0.000 1.157 174 S HN -0.026 nan 8.310 nan 0.000 0.482 175 T N -1.367 113.121 114.554 -0.110 0.000 3.145 175 T HA 0.303 4.652 4.350 -0.000 0.000 0.255 175 T C -0.209 174.352 174.700 -0.232 0.000 1.039 175 T CA -0.453 61.549 62.100 -0.162 0.000 0.928 175 T CB -0.840 67.962 68.868 -0.109 0.000 1.029 175 T HN 0.494 nan 8.240 nan 0.000 0.554 176 N N 2.280 120.823 118.700 -0.263 0.000 2.807 176 N HA 0.326 5.066 4.740 -0.000 0.000 0.259 176 N C -1.065 174.061 175.510 -0.641 0.000 1.149 176 N CA -0.036 52.779 53.050 -0.392 0.000 1.042 176 N CB 1.166 39.464 38.487 -0.315 0.000 1.367 176 N HN 0.249 nan 8.380 nan 0.000 0.516 177 V N 2.511 121.884 119.914 -0.903 0.000 2.540 177 V HA 0.478 4.598 4.120 -0.000 0.000 0.302 177 V C -0.967 174.579 176.094 -0.914 0.000 1.035 177 V CA -0.672 61.197 62.300 -0.717 0.000 0.873 177 V CB 1.040 32.541 31.823 -0.535 0.000 0.992 177 V HN 0.324 nan 8.190 nan 0.000 0.428 178 Y N 2.158 122.357 120.300 -0.169 0.000 2.470 178 Y HA 0.862 5.412 4.550 -0.000 0.000 0.341 178 Y C 0.575 176.406 175.900 -0.116 0.000 1.021 178 Y CA 0.085 58.008 58.100 -0.295 0.000 1.025 178 Y CB 2.388 40.561 38.460 -0.478 0.000 1.266 178 Y HN 1.003 nan 8.280 nan 0.000 0.448 179 G N 1.059 109.935 108.800 0.126 0.000 2.280 179 G HA2 0.231 4.191 3.960 -0.000 0.000 0.277 179 G HA3 0.231 4.191 3.960 -0.000 0.000 0.277 179 G C -1.513 173.620 174.900 0.388 0.000 1.288 179 G CA -0.654 44.598 45.100 0.253 0.000 1.075 179 G HN 1.058 nan 8.290 nan 0.000 0.480 180 L N -1.776 119.718 121.223 0.452 0.000 0.595 180 L HA 0.225 4.564 4.340 -0.000 0.000 0.356 180 L C 0.734 177.857 176.870 0.423 0.000 1.004 180 L CA 0.811 55.841 54.840 0.316 0.000 1.223 180 L CB -1.074 41.047 42.059 0.103 0.000 0.049 180 L HN 2.627 nan 8.230 nan 0.000 0.097 181 G N 1.320 110.136 108.800 0.028 0.000 2.441 181 G HA2 0.482 4.442 3.960 -0.000 0.000 0.294 181 G HA3 0.482 4.442 3.960 -0.000 0.000 0.294 181 G C -1.951 172.630 174.900 -0.532 0.000 1.393 181 G CA -0.276 44.632 45.100 -0.319 0.000 0.796 181 G HN 0.801 nan 8.290 nan 0.000 0.494 182 E N 0.184 120.082 120.200 -0.503 0.000 2.146 182 E HA 0.558 4.908 4.350 -0.000 0.000 0.282 182 E C -0.665 175.617 176.600 -0.530 0.000 0.989 182 E CA -0.637 55.583 56.400 -0.301 0.000 0.799 182 E CB 0.405 30.171 29.700 0.110 0.000 1.088 182 E HN 0.535 nan 8.360 nan 0.000 0.397 183 H N 1.667 120.647 119.070 -0.150 0.000 2.960 183 H HA 0.314 4.869 4.556 -0.000 0.000 0.338 183 H C -0.963 174.160 175.328 -0.342 0.000 1.261 183 H CA -0.873 55.018 56.048 -0.261 0.000 1.136 183 H CB 1.491 30.977 29.762 -0.459 0.000 1.875 183 H HN 0.212 nan 8.280 nan 0.000 0.550 184 V N 1.998 121.863 119.914 -0.082 0.000 2.304 184 V HA 0.061 4.180 4.120 -0.000 0.000 0.269 184 V C 0.658 176.619 176.094 -0.223 0.000 1.036 184 V CA -0.033 62.172 62.300 -0.159 0.000 0.840 184 V CB -0.066 31.677 31.823 -0.134 0.000 1.036 184 V HN 0.738 nan 8.190 nan 0.000 0.466 185 H N 2.702 121.664 119.070 -0.180 0.000 2.502 185 H HA -0.027 4.529 4.556 -0.000 0.000 0.283 185 H C 1.511 176.734 175.328 -0.175 0.000 1.015 185 H CA 0.797 56.688 56.048 -0.263 0.000 1.298 185 H CB 0.264 29.754 29.762 -0.454 0.000 1.411 185 H HN 0.774 nan 8.280 nan 0.000 0.556 186 Q N -1.511 118.193 119.800 -0.160 0.000 3.582 186 Q HA -0.267 4.072 4.340 -0.000 0.000 0.212 186 Q C -0.090 175.924 176.000 0.023 0.000 2.682 186 Q CA 1.599 57.296 55.803 -0.177 0.000 0.372 186 Q CB -0.855 27.721 28.738 -0.270 0.000 0.312 186 Q HN 0.387 nan 8.270 nan 0.000 0.562 187 Q N -0.885 118.846 119.800 -0.114 0.000 2.257 187 Q HA 0.389 4.729 4.340 -0.000 0.000 0.262 187 Q C -0.030 175.844 176.000 -0.210 0.000 0.997 187 Q CA -0.273 55.297 55.803 -0.390 0.000 0.873 187 Q CB 0.787 29.314 28.738 -0.351 0.000 1.312 187 Q HN 0.246 nan 8.270 nan 0.000 0.450 188 Y N 1.320 121.445 120.300 -0.291 0.000 2.176 188 Y HA 0.066 4.616 4.550 -0.000 0.000 0.291 188 Y C 0.443 176.286 175.900 -0.094 0.000 1.122 188 Y CA 1.173 59.239 58.100 -0.057 0.000 1.128 188 Y CB 0.425 38.971 38.460 0.143 0.000 1.005 188 Y HN 0.464 nan 8.280 nan 0.000 0.509 189 R N 1.255 121.642 120.500 -0.188 0.000 2.347 189 R HA 0.067 4.407 4.340 -0.000 0.000 0.304 189 R C -1.177 174.840 176.300 -0.471 0.000 1.072 189 R CA -0.262 55.584 56.100 -0.423 0.000 0.980 189 R CB -0.040 30.178 30.300 -0.138 0.000 0.986 189 R HN 0.316 nan 8.270 nan 0.000 0.448 190 H N 2.839 121.615 119.070 -0.489 0.000 3.017 190 H HA -0.040 4.516 4.556 -0.000 0.000 0.276 190 H C 0.460 175.612 175.328 -0.293 0.000 1.062 190 H CA 0.122 55.951 56.048 -0.365 0.000 1.486 190 H CB 0.862 30.361 29.762 -0.439 0.000 1.507 190 H HN 0.650 nan 8.280 nan 0.000 0.508 191 D N 3.580 123.919 120.400 -0.101 0.000 2.363 191 D HA -0.134 4.505 4.640 -0.000 0.000 0.226 191 D C 0.603 176.831 176.300 -0.119 0.000 1.020 191 D CA 0.246 54.189 54.000 -0.096 0.000 0.892 191 D CB 0.149 40.916 40.800 -0.054 0.000 0.900 191 D HN 0.477 nan 8.370 nan 0.000 0.531 192 M N -1.108 118.410 119.600 -0.136 0.000 2.939 192 M HA -0.221 4.259 4.480 -0.000 0.000 0.194 192 M C -0.097 176.044 176.300 -0.265 0.000 0.617 192 M CA 0.190 55.360 55.300 -0.217 0.000 0.734 192 M CB -3.092 29.357 32.600 -0.251 0.000 2.637 192 M HN 0.341 nan 8.290 nan 0.000 0.316 193 N N -0.804 117.791 118.700 -0.175 0.000 2.340 193 N HA 0.099 4.839 4.740 -0.000 0.000 0.236 193 N C -0.453 174.948 175.510 -0.180 0.000 1.296 193 N CA -0.219 52.729 53.050 -0.170 0.000 0.896 193 N CB 0.448 38.916 38.487 -0.032 0.000 1.127 193 N HN 0.231 nan 8.380 nan 0.000 0.442 194 W N 1.790 123.034 121.300 -0.092 0.000 2.397 194 W HA 0.157 4.817 4.660 -0.000 0.000 0.327 194 W C 0.213 176.640 176.519 -0.154 0.000 1.421 194 W CA 0.118 57.394 57.345 -0.115 0.000 1.288 194 W CB 0.061 29.457 29.460 -0.107 0.000 1.312 194 W HN 0.300 nan 8.180 nan 0.000 0.559 195 K N 2.092 122.485 120.400 -0.011 0.000 2.570 195 K HA 0.429 4.749 4.320 -0.000 0.000 0.256 195 K C -1.119 175.306 176.600 -0.292 0.000 0.939 195 K CA -0.466 55.692 56.287 -0.214 0.000 0.833 195 K CB 1.279 33.628 32.500 -0.251 0.000 1.318 195 K HN 0.176 nan 8.250 nan 0.000 0.433 196 T N 3.338 117.645 114.554 -0.411 0.000 2.797 196 T HA 0.498 4.848 4.350 -0.000 0.000 0.279 196 T C -1.211 173.171 174.700 -0.530 0.000 0.991 196 T CA -0.285 61.628 62.100 -0.313 0.000 0.979 196 T CB 0.394 69.176 68.868 -0.143 0.000 0.943 196 T HN 0.423 nan 8.240 nan 0.000 0.444 197 W N 5.532 126.751 121.300 -0.135 0.000 2.336 197 W HA 0.374 5.034 4.660 -0.000 0.000 0.315 197 W C -2.322 174.170 176.519 -0.044 0.000 1.016 197 W CA -2.330 54.875 57.345 -0.232 0.000 1.318 197 W CB 1.104 30.312 29.460 -0.420 0.000 1.247 197 W HN 0.382 nan 8.180 nan 0.000 0.414 198 P HA 0.347 nan 4.420 nan 0.000 0.278 198 P C -0.552 177.005 177.300 0.428 0.000 1.238 198 P CA 0.017 63.266 63.100 0.248 0.000 0.794 198 P CB 1.897 33.681 31.700 0.141 0.000 0.955 199 I N 3.099 123.868 120.570 0.333 0.000 2.468 199 I HA 0.466 4.635 4.170 -0.000 0.000 0.285 199 I C -0.823 175.504 176.117 0.350 0.000 1.039 199 I CA -0.545 60.943 61.300 0.313 0.000 1.074 199 I CB 1.166 39.322 38.000 0.260 0.000 1.228 199 I HN 0.251 nan 8.210 nan 0.000 0.436 200 F N 5.688 125.707 119.950 0.115 0.000 2.688 200 F HA 0.338 4.865 4.527 -0.000 0.000 0.332 200 F C -1.115 174.783 175.800 0.164 0.000 1.131 200 F CA -0.805 57.267 58.000 0.121 0.000 1.113 200 F CB 1.058 40.074 39.000 0.026 0.000 1.359 200 F HN 0.316 nan 8.300 nan 0.000 0.551 201 N N 4.435 123.017 118.700 -0.197 0.000 2.447 201 N HA 0.365 5.105 4.740 -0.000 0.000 0.263 201 N C -0.736 174.754 175.510 -0.032 0.000 1.226 201 N CA 0.136 53.133 53.050 -0.089 0.000 0.906 201 N CB 0.774 39.156 38.487 -0.175 0.000 1.060 201 N HN 0.595 nan 8.380 nan 0.000 0.468 202 R N 1.145 121.647 120.500 0.005 0.000 2.515 202 R HA 0.149 4.489 4.340 -0.000 0.000 0.278 202 R C -1.806 174.482 176.300 -0.020 0.000 1.107 202 R CA -0.663 55.453 56.100 0.026 0.000 0.945 202 R CB 0.718 31.052 30.300 0.057 0.000 1.219 202 R HN 0.341 nan 8.270 nan 0.000 0.434 203 D N 3.011 123.470 120.400 0.098 0.000 2.367 203 D HA 0.183 4.823 4.640 -0.000 0.000 0.255 203 D C -1.002 175.343 176.300 0.075 0.000 1.300 203 D CA 0.790 54.903 54.000 0.188 0.000 0.959 203 D CB 0.327 41.270 40.800 0.238 0.000 1.064 203 D HN 0.604 nan 8.370 nan 0.000 0.509 204 T N -0.433 114.065 114.554 -0.093 0.000 2.853 204 T HA 0.367 4.717 4.350 -0.000 0.000 0.311 204 T C -0.167 174.505 174.700 -0.047 0.000 1.307 204 T CA -0.986 61.093 62.100 -0.035 0.000 1.019 204 T CB 1.121 69.958 68.868 -0.052 0.000 1.264 204 T HN 0.062 nan 8.240 nan 0.000 0.497 205 T N 4.091 118.692 114.554 0.078 0.000 2.834 205 T HA 0.394 4.743 4.350 -0.000 0.000 0.298 205 T C -2.368 172.406 174.700 0.124 0.000 0.966 205 T CA -0.712 61.479 62.100 0.152 0.000 1.141 205 T CB 0.282 69.264 68.868 0.190 0.000 0.905 205 T HN 0.484 nan 8.240 nan 0.000 0.535 206 P HA 0.191 nan 4.420 nan 0.000 0.271 206 P C -0.702 176.761 177.300 0.272 0.000 1.380 206 P CA -0.399 62.811 63.100 0.184 0.000 0.992 206 P CB 0.069 31.909 31.700 0.234 0.000 1.230 207 N N 1.238 120.066 118.700 0.214 0.000 3.283 207 N HA 0.359 5.099 4.740 -0.000 0.000 0.338 207 N C 1.106 176.651 175.510 0.058 0.000 1.517 207 N CA -0.845 52.394 53.050 0.315 0.000 0.733 207 N CB -0.387 38.263 38.487 0.272 0.000 1.797 207 N HN 0.032 nan 8.380 nan 0.000 0.637 208 G N -1.232 107.642 108.800 0.124 0.000 2.848 208 G HA2 -0.103 3.856 3.960 -0.000 0.000 0.208 208 G HA3 -0.103 3.856 3.960 -0.000 0.000 0.208 208 G C 0.329 175.210 174.900 -0.031 0.000 1.152 208 G CA -0.060 44.972 45.100 -0.114 0.000 0.789 208 G HN 0.571 nan 8.290 nan 0.000 0.531 209 N N 1.079 119.794 118.700 0.024 0.000 2.461 209 N HA -0.007 4.733 4.740 -0.000 0.000 0.188 209 N C 1.744 177.258 175.510 0.007 0.000 1.134 209 N CA 0.781 53.844 53.050 0.022 0.000 0.878 209 N CB 0.136 38.649 38.487 0.044 0.000 0.972 209 N HN 0.342 nan 8.380 nan 0.000 0.456 210 G N 1.903 110.732 108.800 0.048 0.000 2.341 210 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.292 210 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.292 210 G C 0.447 175.454 174.900 0.179 0.000 1.021 210 G CA 1.118 46.325 45.100 0.177 0.000 0.905 210 G HN 0.503 nan 8.290 nan 0.000 0.508 211 T N -1.492 113.162 114.554 0.167 0.000 2.847 211 T HA 0.519 4.869 4.350 -0.000 0.000 0.279 211 T C 0.842 175.721 174.700 0.298 0.000 0.984 211 T CA -0.114 62.085 62.100 0.165 0.000 0.988 211 T CB 1.030 69.950 68.868 0.087 0.000 1.040 211 T HN 0.735 nan 8.240 nan 0.000 0.528 212 N N 2.031 120.894 118.700 0.272 0.000 2.357 212 N HA 0.062 4.802 4.740 -0.000 0.000 0.257 212 N C -0.225 175.324 175.510 0.065 0.000 1.250 212 N CA 0.006 53.202 53.050 0.245 0.000 0.862 212 N CB 0.208 38.833 38.487 0.230 0.000 1.066 212 N HN 0.693 nan 8.380 nan 0.000 0.468 213 L N 0.636 121.831 121.223 -0.046 0.000 2.777 213 L HA 0.300 4.640 4.340 -0.000 0.000 0.241 213 L C 1.165 177.888 176.870 -0.245 0.000 1.854 213 L CA -0.963 53.705 54.840 -0.285 0.000 2.070 213 L CB -0.230 41.655 42.059 -0.291 0.000 2.441 213 L HN 0.350 nan 8.230 nan 0.000 0.587 214 Y N -0.071 120.250 120.300 0.036 0.000 2.373 214 Y HA 0.131 4.681 4.550 -0.000 0.000 0.293 214 Y C 1.260 177.167 175.900 0.011 0.000 1.129 214 Y CA 0.488 58.598 58.100 0.016 0.000 1.226 214 Y CB -0.471 37.987 38.460 -0.003 0.000 1.000 214 Y HN 0.417 nan 8.280 nan 0.000 0.549 215 G N -0.954 107.944 108.800 0.164 0.000 2.714 215 G HA2 0.707 4.667 3.960 -0.000 0.000 0.292 215 G HA3 0.707 4.667 3.960 -0.000 0.000 0.292 215 G C -1.568 173.353 174.900 0.034 0.000 1.308 215 G CA -0.597 44.568 45.100 0.109 0.000 0.964 215 G HN 0.157 nan 8.290 nan 0.000 0.484 216 A N 0.477 123.321 122.820 0.040 0.000 2.340 216 A HA 0.723 5.043 4.320 -0.000 0.000 0.297 216 A C -0.760 176.703 177.584 -0.202 0.000 1.195 216 A CA -0.542 51.503 52.037 0.013 0.000 0.769 216 A CB 1.364 20.506 19.000 0.236 0.000 1.163 216 A HN 0.378 nan 8.150 nan 0.000 0.472 217 Q N 2.101 121.708 119.800 -0.321 0.000 2.414 217 Q HA 0.230 4.570 4.340 -0.000 0.000 0.256 217 Q C 0.460 176.300 176.000 -0.267 0.000 0.974 217 Q CA -0.039 55.421 55.803 -0.573 0.000 0.723 217 Q CB 1.513 29.387 28.738 -1.440 0.000 1.281 217 Q HN 0.909 nan 8.270 nan 0.000 0.470 218 T N -1.446 113.087 114.554 -0.035 0.000 3.100 218 T HA 0.119 4.469 4.350 -0.000 0.000 0.253 218 T C 0.574 175.481 174.700 0.345 0.000 1.118 218 T CA -0.124 62.088 62.100 0.186 0.000 1.058 218 T CB -0.091 68.821 68.868 0.073 0.000 0.953 218 T HN 0.285 nan 8.240 nan 0.000 0.515 219 F N 3.731 123.741 119.950 0.100 0.000 2.538 219 F HA 0.467 4.994 4.527 -0.000 0.000 0.371 219 F C -0.431 175.486 175.800 0.195 0.000 1.087 219 F CA -2.256 55.757 58.000 0.023 0.000 1.250 219 F CB 0.170 38.871 39.000 -0.498 0.000 1.110 219 F HN 0.264 nan 8.300 nan 0.000 0.570 220 F N 5.807 125.316 119.950 -0.736 0.000 2.603 220 F HA 0.737 5.264 4.527 -0.000 0.000 0.317 220 F C -2.083 173.011 175.800 -1.177 0.000 1.066 220 F CA -1.584 55.943 58.000 -0.788 0.000 0.941 220 F CB 1.149 39.907 39.000 -0.403 0.000 1.291 220 F HN 0.502 nan 8.300 nan 0.000 0.472 221 L N 2.900 123.789 121.223 -0.556 0.000 2.346 221 L HA 0.712 5.052 4.340 -0.000 0.000 0.276 221 L C -1.515 175.274 176.870 -0.134 0.000 1.006 221 L CA -0.576 54.020 54.840 -0.407 0.000 0.817 221 L CB 1.623 43.607 42.059 -0.125 0.000 1.272 221 L HN 1.087 nan 8.230 nan 0.000 0.421 222 C N 6.013 125.097 119.300 -0.361 0.000 2.340 222 C HA 0.525 4.985 4.460 -0.000 0.000 0.323 222 C C -0.399 174.482 174.990 -0.182 0.000 1.260 222 C CA -0.948 57.888 59.018 -0.303 0.000 1.464 222 C CB 0.708 28.110 27.740 -0.562 0.000 2.156 222 C HN 0.777 nan 8.230 nan 0.000 0.476 223 L N 6.494 127.669 121.223 -0.080 0.000 2.325 223 L HA 0.394 4.734 4.340 -0.000 0.000 0.284 223 L C 1.076 177.844 176.870 -0.170 0.000 1.089 223 L CA 0.836 55.589 54.840 -0.145 0.000 0.836 223 L CB 0.338 42.261 42.059 -0.227 0.000 1.184 223 L HN 0.830 nan 8.230 nan 0.000 0.444 224 E N 2.272 122.442 120.200 -0.050 0.000 2.072 224 E HA -0.058 4.292 4.350 -0.000 0.000 0.191 224 E C -0.401 176.172 176.600 -0.046 0.000 0.985 224 E CA 1.522 57.931 56.400 0.015 0.000 0.801 224 E CB 0.091 29.850 29.700 0.100 0.000 0.750 224 E HN 0.934 nan 8.360 nan 0.000 0.452 225 D N -3.102 117.262 120.400 -0.060 0.000 2.738 225 D HA 0.274 4.913 4.640 -0.000 0.000 0.308 225 D C -0.134 176.271 176.300 0.176 0.000 1.311 225 D CA -0.168 53.864 54.000 0.054 0.000 0.799 225 D CB 0.232 41.109 40.800 0.128 0.000 1.332 225 D HN -0.101 nan 8.370 nan 0.000 0.441 226 A N -0.134 122.966 122.820 0.467 0.000 2.186 226 A HA -0.046 4.274 4.320 -0.000 0.000 0.219 226 A C 1.891 179.730 177.584 0.425 0.000 1.159 226 A CA 2.073 54.465 52.037 0.591 0.000 0.680 226 A CB -1.162 18.144 19.000 0.510 0.000 0.787 226 A HN 0.734 nan 8.150 nan 0.000 0.467 227 S N -2.102 113.755 115.700 0.262 0.000 2.453 227 S HA 0.290 4.760 4.470 -0.000 0.000 0.231 227 S C 1.596 176.256 174.600 0.101 0.000 1.005 227 S CA 1.353 59.677 58.200 0.206 0.000 0.949 227 S CB -0.259 63.016 63.200 0.125 0.000 0.774 227 S HN 1.826 nan 8.310 nan 0.000 0.510 228 G N 0.618 109.367 108.800 -0.085 0.000 2.253 228 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.209 228 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.209 228 G C 0.004 174.680 174.900 -0.373 0.000 0.997 228 G CA -0.146 44.551 45.100 -0.672 0.000 0.640 228 G HN 0.500 nan 8.290 nan 0.000 0.496 229 L N 2.056 123.190 121.223 -0.149 0.000 2.601 229 L HA 0.395 4.734 4.340 -0.000 0.000 0.277 229 L C 0.477 177.331 176.870 -0.027 0.000 1.219 229 L CA 0.665 55.472 54.840 -0.054 0.000 0.915 229 L CB 0.619 42.685 42.059 0.012 0.000 1.160 229 L HN 0.271 nan 8.230 nan 0.000 0.494 230 S N 2.621 118.333 115.700 0.019 0.000 2.618 230 S HA 0.815 5.285 4.470 -0.000 0.000 0.277 230 S C -0.866 173.864 174.600 0.216 0.000 1.138 230 S CA -0.633 57.598 58.200 0.051 0.000 0.844 230 S CB 2.292 65.443 63.200 -0.082 0.000 1.127 230 S HN 0.478 nan 8.310 nan 0.000 0.474 231 F N -1.253 118.719 119.950 0.037 0.000 2.662 231 F HA 0.959 5.486 4.527 -0.000 0.000 0.312 231 F C -0.275 175.563 175.800 0.063 0.000 1.113 231 F CA -0.838 57.215 58.000 0.087 0.000 0.951 231 F CB 1.023 40.078 39.000 0.090 0.000 1.344 231 F HN 0.750 nan 8.300 nan 0.000 0.462 232 G N 0.588 109.472 108.800 0.140 0.000 2.563 232 G HA2 0.643 4.602 3.960 -0.000 0.000 0.302 232 G HA3 0.643 4.602 3.960 -0.000 0.000 0.302 232 G C -2.383 172.577 174.900 0.100 0.000 1.301 232 G CA -1.174 43.886 45.100 -0.066 0.000 0.965 232 G HN 0.743 nan 8.290 nan 0.000 0.480 233 V N 1.131 120.795 119.914 -0.418 0.000 2.638 233 V HA 0.630 4.750 4.120 -0.000 0.000 0.306 233 V C -1.403 174.810 176.094 0.197 0.000 1.052 233 V CA -0.703 61.547 62.300 -0.084 0.000 0.885 233 V CB 1.640 33.382 31.823 -0.135 0.000 0.999 233 V HN 0.711 nan 8.190 nan 0.000 0.424 234 F N 6.194 126.316 119.950 0.288 0.000 2.518 234 F HA 0.769 5.295 4.527 -0.000 0.000 0.323 234 F C -1.092 174.737 175.800 0.048 0.000 1.129 234 F CA -1.187 56.978 58.000 0.276 0.000 0.920 234 F CB 1.767 41.077 39.000 0.516 0.000 1.160 234 F HN 0.407 nan 8.300 nan 0.000 0.440 235 L N 7.888 128.543 121.223 -0.946 0.000 2.265 235 L HA 0.507 4.846 4.340 -0.000 0.000 0.289 235 L C -0.596 175.413 176.870 -1.434 0.000 1.033 235 L CA -0.646 53.425 54.840 -1.282 0.000 0.814 235 L CB 1.129 42.369 42.059 -1.366 0.000 1.203 235 L HN 0.766 nan 8.230 nan 0.000 0.423 236 M N 6.324 125.266 119.600 -1.097 0.000 2.725 236 M HA 0.369 4.849 4.480 -0.000 0.000 0.322 236 M C -1.037 175.091 176.300 -0.286 0.000 1.393 236 M CA 0.566 55.517 55.300 -0.580 0.000 1.452 236 M CB -0.978 31.528 32.600 -0.157 0.000 1.242 236 M HN 0.653 nan 8.290 nan 0.000 0.487 237 N N 1.140 119.756 118.700 -0.141 0.000 2.406 237 N HA 0.263 5.003 4.740 -0.000 0.000 0.283 237 N C -0.795 174.834 175.510 0.198 0.000 1.074 237 N CA 0.068 53.101 53.050 -0.028 0.000 0.916 237 N CB 1.675 40.046 38.487 -0.194 0.000 1.639 237 N HN 0.519 nan 8.380 nan 0.000 0.485 238 S N 1.242 117.060 115.700 0.196 0.000 2.578 238 S HA 0.253 4.723 4.470 -0.000 0.000 0.231 238 S C 0.305 174.968 174.600 0.104 0.000 0.994 238 S CA -0.577 57.707 58.200 0.141 0.000 0.956 238 S CB -0.082 63.038 63.200 -0.133 0.000 0.870 238 S HN 0.486 nan 8.310 nan 0.000 0.494 239 N N 2.220 120.960 118.700 0.068 0.000 2.424 239 N HA 0.430 5.170 4.740 -0.000 0.000 0.257 239 N C 0.112 175.652 175.510 0.050 0.000 1.250 239 N CA 0.182 53.214 53.050 -0.031 0.000 0.946 239 N CB 0.783 39.211 38.487 -0.099 0.000 1.175 239 N HN 0.440 nan 8.380 nan 0.000 0.477 240 A N 1.188 123.989 122.820 -0.031 0.000 2.511 240 A HA 0.313 4.633 4.320 -0.000 0.000 0.242 240 A C 0.379 177.957 177.584 -0.010 0.000 1.069 240 A CA 0.358 52.391 52.037 -0.008 0.000 0.763 240 A CB -0.233 18.461 19.000 -0.510 0.000 1.001 240 A HN 0.760 nan 8.150 nan 0.000 0.498 241 M N 1.022 120.668 119.600 0.077 0.000 2.721 241 M HA 0.761 5.240 4.480 -0.000 0.000 0.271 241 M C -1.212 175.166 176.300 0.131 0.000 1.259 241 M CA -0.717 54.636 55.300 0.089 0.000 0.835 241 M CB 1.978 34.642 32.600 0.106 0.000 1.689 241 M HN 0.717 nan 8.290 nan 0.000 0.470 242 E N 0.667 120.945 120.200 0.130 0.000 2.340 242 E HA 0.724 5.074 4.350 -0.000 0.000 0.273 242 E C -1.709 174.946 176.600 0.092 0.000 0.891 242 E CA -1.153 55.327 56.400 0.133 0.000 0.757 242 E CB 2.859 32.627 29.700 0.113 0.000 1.231 242 E HN 0.530 nan 8.360 nan 0.000 0.439 243 V N 1.758 121.715 119.914 0.073 0.000 2.459 243 V HA 0.345 4.465 4.120 -0.000 0.000 0.295 243 V C -0.489 175.563 176.094 -0.071 0.000 1.029 243 V CA -0.821 61.431 62.300 -0.079 0.000 0.874 243 V CB 1.629 33.366 31.823 -0.143 0.000 0.985 243 V HN 0.574 nan 8.190 nan 0.000 0.438 244 V N 6.394 126.226 119.914 -0.136 0.000 2.378 244 V HA 0.496 4.616 4.120 -0.000 0.000 0.288 244 V C -0.266 175.729 176.094 -0.165 0.000 1.016 244 V CA -0.434 61.807 62.300 -0.097 0.000 0.840 244 V CB 1.501 33.310 31.823 -0.023 0.000 0.994 244 V HN 0.624 nan 8.190 nan 0.000 0.431 245 L N 5.920 127.043 121.223 -0.168 0.000 2.329 245 L HA 0.754 5.094 4.340 -0.000 0.000 0.279 245 L C -0.178 176.511 176.870 -0.302 0.000 1.014 245 L CA -0.444 54.243 54.840 -0.255 0.000 0.814 245 L CB 1.796 43.712 42.059 -0.238 0.000 1.257 245 L HN 0.814 nan 8.230 nan 0.000 0.424 246 Q N 2.368 121.895 119.800 -0.456 0.000 2.462 246 Q HA 0.464 4.804 4.340 -0.000 0.000 0.285 246 Q C -2.695 172.860 176.000 -0.741 0.000 1.035 246 Q CA -1.927 53.365 55.803 -0.851 0.000 0.799 246 Q CB 2.684 30.778 28.738 -1.073 0.000 1.452 246 Q HN 0.206 nan 8.270 nan 0.000 0.404 247 P HA 0.058 nan 4.420 nan 0.000 0.255 247 P C 0.808 177.902 177.300 -0.343 0.000 1.301 247 P CA 0.757 63.557 63.100 -0.499 0.000 0.817 247 P CB 0.012 31.459 31.700 -0.420 0.000 1.259 248 A N 1.387 123.994 122.820 -0.354 0.000 1.909 248 A HA -0.147 4.173 4.320 -0.000 0.000 0.221 248 A C -0.794 176.692 177.584 -0.163 0.000 1.223 248 A CA 1.526 53.433 52.037 -0.217 0.000 0.658 248 A CB -2.590 16.292 19.000 -0.197 0.000 0.831 248 A HN 0.307 nan 8.150 nan 0.000 0.462 249 P HA 0.580 nan 4.420 nan 0.000 0.282 249 P C -0.725 176.440 177.300 -0.225 0.000 1.249 249 P CA 0.276 63.239 63.100 -0.227 0.000 0.806 249 P CB 1.541 33.120 31.700 -0.202 0.000 0.984 250 A N 2.309 124.963 122.820 -0.278 0.000 2.612 250 A HA 0.740 5.060 4.320 -0.000 0.000 0.293 250 A C -1.650 175.746 177.584 -0.313 0.000 1.075 250 A CA -0.665 51.216 52.037 -0.261 0.000 0.680 250 A CB 1.243 20.115 19.000 -0.213 0.000 1.279 250 A HN 0.583 nan 8.150 nan 0.000 0.411 251 I N 0.533 120.917 120.570 -0.311 0.000 2.582 251 I HA 0.690 4.860 4.170 -0.000 0.000 0.292 251 I C -1.009 174.951 176.117 -0.261 0.000 1.066 251 I CA -0.056 61.022 61.300 -0.370 0.000 1.053 251 I CB 2.323 39.980 38.000 -0.572 0.000 1.241 251 I HN 0.609 nan 8.210 nan 0.000 0.421 252 T N 6.130 120.542 114.554 -0.235 0.000 2.807 252 T HA 0.477 4.826 4.350 -0.000 0.000 0.279 252 T C -1.172 173.433 174.700 -0.159 0.000 0.993 252 T CA -0.171 61.867 62.100 -0.104 0.000 0.970 252 T CB 0.777 69.630 68.868 -0.025 0.000 0.950 252 T HN 0.289 nan 8.240 nan 0.000 0.441 253 Y N 2.024 122.379 120.300 0.091 0.000 2.320 253 Y HA 0.548 5.098 4.550 -0.000 0.000 0.334 253 Y C 0.808 176.696 175.900 -0.019 0.000 1.055 253 Y CA -0.788 57.364 58.100 0.086 0.000 1.143 253 Y CB 1.126 39.705 38.460 0.199 0.000 1.193 253 Y HN 0.359 nan 8.280 nan 0.000 0.477 254 R N 2.344 122.877 120.500 0.055 0.000 2.468 254 R HA 0.393 4.733 4.340 -0.000 0.000 0.302 254 R C -1.166 175.036 176.300 -0.163 0.000 1.041 254 R CA -0.207 55.779 56.100 -0.190 0.000 0.899 254 R CB 1.174 31.358 30.300 -0.194 0.000 1.167 254 R HN 0.757 nan 8.270 nan 0.000 0.483 255 T N 3.040 117.450 114.554 -0.240 0.000 2.932 255 T HA 0.393 4.742 4.350 -0.000 0.000 0.289 255 T C 0.956 175.555 174.700 -0.168 0.000 1.039 255 T CA -0.874 61.139 62.100 -0.145 0.000 1.024 255 T CB 0.986 69.785 68.868 -0.113 0.000 1.090 255 T HN 0.647 nan 8.240 nan 0.000 0.496 256 I N 0.165 120.698 120.570 -0.061 0.000 3.941 256 I HA 0.660 4.830 4.170 -0.000 0.000 0.335 256 I C 0.546 176.740 176.117 0.129 0.000 1.402 256 I CA -0.522 60.812 61.300 0.056 0.000 1.112 256 I CB -0.160 37.913 38.000 0.122 0.000 1.043 256 I HN 0.612 nan 8.210 nan 0.000 0.395 257 G N -0.386 108.437 108.800 0.039 0.000 2.554 257 G HA2 0.541 4.501 3.960 -0.000 0.000 0.306 257 G HA3 0.541 4.501 3.960 -0.000 0.000 0.306 257 G C -0.218 174.714 174.900 0.052 0.000 1.320 257 G CA -0.094 45.081 45.100 0.126 0.000 0.800 257 G HN 0.614 nan 8.290 nan 0.000 0.481 258 G N -0.855 108.035 108.800 0.149 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 0.227 175.135 174.900 0.014 0.000 1.200 258 G CA 0.950 46.157 45.100 0.178 0.000 0.951 258 G HN 2.143 nan 8.290 nan 0.000 0.566 259 I N -2.666 117.869 120.570 -0.058 0.000 3.108 259 I HA 0.802 4.972 4.170 -0.000 0.000 0.312 259 I C -0.145 175.822 176.117 -0.249 0.000 1.095 259 I CA -1.518 59.712 61.300 -0.116 0.000 1.000 259 I CB 2.057 40.049 38.000 -0.012 0.000 1.229 259 I HN 0.540 nan 8.210 nan 0.000 0.454 260 L N 2.680 123.755 121.223 -0.247 0.000 2.270 260 L HA 0.380 4.719 4.340 -0.000 0.000 0.286 260 L C -1.022 175.587 176.870 -0.435 0.000 1.059 260 L CA 0.052 54.682 54.840 -0.350 0.000 0.839 260 L CB 0.230 42.234 42.059 -0.092 0.000 1.221 260 L HN 0.568 nan 8.230 nan 0.000 0.431 261 D N 3.742 123.735 120.400 -0.678 0.000 2.454 261 D HA 0.353 4.993 4.640 -0.000 0.000 0.247 261 D C -1.111 174.669 176.300 -0.867 0.000 1.129 261 D CA -0.178 53.441 54.000 -0.634 0.000 0.877 261 D CB 0.705 41.285 40.800 -0.367 0.000 1.082 261 D HN -0.006 nan 8.370 nan 0.000 0.537 262 F N 2.713 122.064 119.950 -0.999 0.000 2.480 262 F HA 0.484 5.011 4.527 -0.000 0.000 0.329 262 F C -0.470 174.765 175.800 -0.943 0.000 1.091 262 F CA -0.628 56.769 58.000 -1.005 0.000 0.972 262 F CB 1.444 39.541 39.000 -1.505 0.000 1.150 262 F HN 0.195 nan 8.300 nan 0.000 0.467 263 Y N 1.439 121.596 120.300 -0.239 0.000 2.409 263 Y HA 0.692 5.241 4.550 -0.000 0.000 0.343 263 Y C -0.708 174.900 175.900 -0.486 0.000 0.973 263 Y CA -1.139 56.734 58.100 -0.379 0.000 1.064 263 Y CB 2.025 40.290 38.460 -0.325 0.000 1.207 263 Y HN 0.186 nan 8.280 nan 0.000 0.452 264 V N 4.222 123.882 119.914 -0.422 0.000 2.588 264 V HA 0.476 4.596 4.120 -0.000 0.000 0.304 264 V C -1.086 174.778 176.094 -0.384 0.000 1.042 264 V CA -1.126 61.022 62.300 -0.255 0.000 0.877 264 V CB 1.313 33.116 31.823 -0.032 0.000 0.996 264 V HN 0.488 nan 8.190 nan 0.000 0.425 265 F N 4.677 124.764 119.950 0.228 0.000 2.507 265 F HA 0.754 5.281 4.527 -0.000 0.000 0.325 265 F C -0.391 175.540 175.800 0.218 0.000 1.116 265 F CA -0.796 57.323 58.000 0.198 0.000 0.930 265 F CB 1.680 40.810 39.000 0.217 0.000 1.146 265 F HN 0.188 nan 8.300 nan 0.000 0.447 266 L N 2.144 123.575 121.223 0.347 0.000 2.334 266 L HA 0.920 5.260 4.340 -0.000 0.000 0.276 266 L C 0.220 177.226 176.870 0.227 0.000 1.014 266 L CA -0.284 54.727 54.840 0.285 0.000 0.815 266 L CB 1.967 44.172 42.059 0.244 0.000 1.268 266 L HN 0.773 nan 8.230 nan 0.000 0.428 267 G N 0.476 109.376 108.800 0.167 0.000 2.690 267 G HA2 0.306 4.266 3.960 -0.000 0.000 0.291 267 G HA3 0.306 4.266 3.960 -0.000 0.000 0.291 267 G C -0.131 174.795 174.900 0.043 0.000 1.403 267 G CA -0.493 44.663 45.100 0.093 0.000 0.864 267 G HN 0.442 nan 8.290 nan 0.000 0.480 268 N N -0.548 118.158 118.700 0.011 0.000 2.446 268 N HA 0.062 4.802 4.740 -0.000 0.000 0.179 268 N C 0.889 176.324 175.510 -0.125 0.000 1.054 268 N CA 1.179 54.213 53.050 -0.026 0.000 0.905 268 N CB 0.429 38.917 38.487 0.002 0.000 0.973 268 N HN 0.772 nan 8.380 nan 0.000 0.448 269 T N -4.044 110.420 114.554 -0.150 0.000 2.864 269 T HA 0.385 4.734 4.350 -0.000 0.000 0.299 269 T C -2.464 172.088 174.700 -0.246 0.000 1.166 269 T CA -1.706 60.213 62.100 -0.300 0.000 1.007 269 T CB 2.580 71.339 68.868 -0.182 0.000 1.219 269 T HN -0.362 nan 8.240 nan 0.000 0.506 270 P HA -0.088 nan 4.420 nan 0.000 0.216 270 P C 1.521 178.614 177.300 -0.346 0.000 1.150 270 P CA 1.003 63.841 63.100 -0.436 0.000 0.843 270 P CB 0.126 31.296 31.700 -0.884 0.000 0.787 271 E N -0.244 119.810 120.200 -0.243 0.000 2.110 271 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 271 E C 2.045 178.620 176.600 -0.042 0.000 0.988 271 E CA 1.188 57.555 56.400 -0.055 0.000 0.804 271 E CB -0.450 29.268 29.700 0.030 0.000 0.745 271 E HN 0.480 nan 8.360 nan 0.000 0.458 272 Q N 0.140 119.912 119.800 -0.046 0.000 2.119 272 Q HA -0.086 4.254 4.340 -0.000 0.000 0.201 272 Q C 2.381 178.378 176.000 -0.005 0.000 0.972 272 Q CA 1.010 56.801 55.803 -0.020 0.000 0.847 272 Q CB 0.014 28.751 28.738 -0.001 0.000 0.903 272 Q HN 0.110 nan 8.270 nan 0.000 0.433 273 V N 0.363 120.280 119.914 0.006 0.000 2.261 273 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 273 V C 2.287 178.380 176.094 -0.001 0.000 1.047 273 V CA 1.562 63.901 62.300 0.065 0.000 1.015 273 V CB -0.566 31.322 31.823 0.108 0.000 0.642 273 V HN 0.182 nan 8.190 nan 0.000 0.446 274 V N -0.337 119.583 119.914 0.011 0.000 2.282 274 V HA -0.377 3.743 4.120 -0.000 0.000 0.249 274 V C 2.484 178.481 176.094 -0.162 0.000 1.057 274 V CA 2.343 64.616 62.300 -0.045 0.000 1.032 274 V CB -0.843 31.001 31.823 0.035 0.000 0.645 274 V HN 0.600 nan 8.190 nan 0.000 0.447 275 Q N -0.715 119.009 119.800 -0.126 0.000 2.096 275 Q HA -0.220 4.120 4.340 -0.000 0.000 0.204 275 Q C 2.388 178.266 176.000 -0.204 0.000 0.982 275 Q CA 1.583 57.291 55.803 -0.158 0.000 0.850 275 Q CB -0.198 28.479 28.738 -0.102 0.000 0.901 275 Q HN 0.614 nan 8.270 nan 0.000 0.422 276 E N -0.051 120.044 120.200 -0.175 0.000 2.072 276 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 276 E C 1.775 178.053 176.600 -0.537 0.000 0.985 276 E CA 0.881 57.180 56.400 -0.169 0.000 0.801 276 E CB -0.277 29.451 29.700 0.047 0.000 0.750 276 E HN 0.416 nan 8.360 nan 0.000 0.452 277 Y N 1.513 121.167 120.300 -1.077 0.000 2.181 277 Y HA -0.139 4.411 4.550 -0.000 0.000 0.288 277 Y C 2.095 177.445 175.900 -0.915 0.000 1.146 277 Y CA 1.324 58.482 58.100 -1.569 0.000 1.164 277 Y CB -0.357 37.065 38.460 -1.729 0.000 0.982 277 Y HN -0.075 nan 8.280 nan 0.000 0.515 278 L N 0.013 120.751 121.223 -0.809 0.000 2.240 278 L HA -0.086 4.254 4.340 -0.000 0.000 0.211 278 L C 2.353 178.900 176.870 -0.539 0.000 1.106 278 L CA 1.331 55.726 54.840 -0.742 0.000 0.793 278 L CB -0.573 41.189 42.059 -0.495 0.000 0.927 278 L HN 0.181 nan 8.230 nan 0.000 0.446 279 E N 1.320 121.283 120.200 -0.394 0.000 2.085 279 E HA -0.259 4.091 4.350 -0.000 0.000 0.194 279 E C 2.006 178.488 176.600 -0.198 0.000 0.994 279 E CA 1.499 57.757 56.400 -0.235 0.000 0.801 279 E CB -0.236 29.379 29.700 -0.141 0.000 0.743 279 E HN 0.315 nan 8.360 nan 0.000 0.453 280 L N 0.407 121.457 121.223 -0.289 0.000 1.988 280 L HA -0.019 4.321 4.340 -0.000 0.000 0.207 280 L C 2.311 178.987 176.870 -0.323 0.000 1.071 280 L CA 2.132 56.811 54.840 -0.268 0.000 0.744 280 L CB -0.551 41.347 42.059 -0.269 0.000 0.893 280 L HN 0.424 nan 8.230 nan 0.000 0.433 281 I N -1.790 118.382 120.570 -0.663 0.000 3.251 281 I HA 0.434 4.604 4.170 -0.000 0.000 0.277 281 I C 0.767 176.582 176.117 -0.502 0.000 1.268 281 I CA 0.347 61.279 61.300 -0.614 0.000 1.449 281 I CB -0.671 36.740 38.000 -0.982 0.000 1.083 281 I HN 0.312 nan 8.210 nan 0.000 0.464 282 G N 1.577 109.948 108.800 -0.714 0.000 3.326 282 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.681 282 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.681 282 G C -0.621 173.929 174.900 -0.585 0.000 1.255 282 G CA -1.019 43.525 45.100 -0.926 0.000 0.976 282 G HN 0.308 nan 8.290 nan 0.000 0.563 283 R N 3.251 123.462 120.500 -0.482 0.000 2.641 283 R HA 0.408 4.748 4.340 -0.000 0.000 0.269 283 R C -1.766 174.382 176.300 -0.253 0.000 1.074 283 R CA -1.103 54.786 56.100 -0.351 0.000 1.133 283 R CB 0.691 30.779 30.300 -0.352 0.000 1.029 283 R HN 0.420 nan 8.270 nan 0.000 0.488 284 P HA -0.004 nan 4.420 nan 0.000 0.269 284 P C -0.826 176.485 177.300 0.018 0.000 1.209 284 P CA -0.091 62.963 63.100 -0.077 0.000 0.776 284 P CB 0.608 32.299 31.700 -0.015 0.000 0.876 285 A N 3.299 126.073 122.820 -0.077 0.000 2.531 285 A HA 0.076 4.396 4.320 -0.000 0.000 0.236 285 A C 0.209 177.662 177.584 -0.218 0.000 1.062 285 A CA -0.172 51.770 52.037 -0.159 0.000 0.760 285 A CB -0.538 18.358 19.000 -0.174 0.000 0.995 285 A HN 0.609 nan 8.150 nan 0.000 0.501 286 L N 5.076 125.990 121.223 -0.515 0.000 2.418 286 L HA 0.395 4.734 4.340 -0.000 0.000 0.274 286 L C -1.980 174.722 176.870 -0.280 0.000 1.135 286 L CA -1.322 53.271 54.840 -0.411 0.000 0.870 286 L CB 0.315 42.024 42.059 -0.585 0.000 1.154 286 L HN 0.446 nan 8.230 nan 0.000 0.462 287 P HA 0.214 nan 4.420 nan 0.000 0.274 287 P C -0.789 176.355 177.300 -0.260 0.000 1.246 287 P CA -0.462 62.447 63.100 -0.318 0.000 0.795 287 P CB 0.528 31.910 31.700 -0.529 0.000 1.006 288 S N 0.486 115.940 115.700 -0.410 0.000 2.560 288 S HA -0.029 4.440 4.470 -0.000 0.000 0.284 288 S C 0.902 175.192 174.600 -0.516 0.000 1.327 288 S CA -0.129 57.752 58.200 -0.532 0.000 1.055 288 S CB -0.250 62.301 63.200 -1.082 0.000 0.868 288 S HN 0.453 nan 8.310 nan 0.000 0.506 289 Y N 3.335 123.339 120.300 -0.493 0.000 2.181 289 Y HA -0.192 4.358 4.550 -0.000 0.000 0.288 289 Y C 2.075 177.759 175.900 -0.360 0.000 1.146 289 Y CA 1.972 59.758 58.100 -0.523 0.000 1.164 289 Y CB -0.174 37.876 38.460 -0.684 0.000 0.982 289 Y HN 0.926 nan 8.280 nan 0.000 0.515 290 W N -0.272 120.983 121.300 -0.075 0.000 2.350 290 W HA -0.155 4.505 4.660 -0.000 0.000 0.289 290 W C 1.792 178.168 176.519 -0.238 0.000 1.215 290 W CA 0.956 58.214 57.345 -0.146 0.000 1.236 290 W CB -1.257 28.123 29.460 -0.134 0.000 1.130 290 W HN 0.222 nan 8.180 nan 0.000 0.541 291 A N 1.348 123.783 122.820 -0.642 0.000 2.209 291 A HA 0.070 4.389 4.320 -0.000 0.000 0.212 291 A C 2.092 179.590 177.584 -0.144 0.000 1.158 291 A CA 0.742 52.445 52.037 -0.556 0.000 0.742 291 A CB -0.763 17.693 19.000 -0.907 0.000 0.790 291 A HN 0.394 nan 8.150 nan 0.000 0.472 292 L N -0.921 120.144 121.223 -0.265 0.000 2.558 292 L HA 0.122 4.462 4.340 -0.000 0.000 0.225 292 L C 1.730 178.518 176.870 -0.138 0.000 1.128 292 L CA 0.003 54.711 54.840 -0.220 0.000 0.868 292 L CB -0.412 41.384 42.059 -0.438 0.000 1.006 292 L HN 0.453 nan 8.230 nan 0.000 0.454 293 G N -0.513 108.204 108.800 -0.138 0.000 2.553 293 G HA2 0.084 4.044 3.960 -0.000 0.000 0.278 293 G HA3 0.084 4.044 3.960 -0.000 0.000 0.278 293 G C -0.833 174.254 174.900 0.312 0.000 1.349 293 G CA -0.452 44.623 45.100 -0.041 0.000 1.037 293 G HN -0.079 nan 8.290 nan 0.000 0.508 294 F N 0.202 120.370 119.950 0.363 0.000 2.443 294 F HA 0.447 4.974 4.527 -0.000 0.000 0.353 294 F C 0.008 175.918 175.800 0.183 0.000 1.101 294 F CA -0.672 57.491 58.000 0.272 0.000 1.226 294 F CB 0.613 39.752 39.000 0.232 0.000 1.140 294 F HN 0.328 nan 8.300 nan 0.000 0.557 295 H N 5.548 124.184 119.070 -0.724 0.000 2.469 295 H HA 0.582 5.138 4.556 -0.000 0.000 0.342 295 H C -1.119 173.605 175.328 -1.006 0.000 1.115 295 H CA -0.741 54.959 56.048 -0.581 0.000 1.204 295 H CB 1.633 31.111 29.762 -0.474 0.000 1.492 295 H HN 0.636 nan 8.280 nan 0.000 0.499 296 L N 1.792 122.797 121.223 -0.363 0.000 2.362 296 L HA 0.719 5.059 4.340 -0.000 0.000 0.271 296 L C -0.459 176.417 176.870 0.010 0.000 1.002 296 L CA -0.110 54.567 54.840 -0.271 0.000 0.818 296 L CB 1.837 43.763 42.059 -0.221 0.000 1.298 296 L HN 0.640 nan 8.230 nan 0.000 0.420 297 S N 3.575 119.313 115.700 0.063 0.000 2.565 297 S HA 0.913 5.383 4.470 -0.000 0.000 0.269 297 S C -1.541 173.252 174.600 0.322 0.000 1.153 297 S CA -0.661 57.690 58.200 0.251 0.000 0.835 297 S CB 1.342 64.489 63.200 -0.089 0.000 1.122 297 S HN 0.950 nan 8.310 nan 0.000 0.462 298 R N 1.595 122.260 120.500 0.275 0.000 2.692 298 R HA 0.368 4.707 4.340 -0.000 0.000 0.269 298 R C -1.911 174.506 176.300 0.195 0.000 1.030 298 R CA -0.999 55.119 56.100 0.030 0.000 0.882 298 R CB 0.501 30.535 30.300 -0.444 0.000 1.250 298 R HN 0.687 nan 8.270 nan 0.000 0.465 299 Y N 2.919 123.241 120.300 0.037 0.000 2.436 299 Y HA 0.099 4.649 4.550 -0.000 0.000 0.343 299 Y C -0.404 175.430 175.900 -0.109 0.000 1.008 299 Y CA -0.157 57.988 58.100 0.075 0.000 1.241 299 Y CB 0.644 39.187 38.460 0.139 0.000 1.153 299 Y HN 0.798 nan 8.280 nan 0.000 0.521 300 E N 5.002 125.293 120.200 0.152 0.000 2.484 300 E HA -0.292 4.058 4.350 -0.000 0.000 0.181 300 E C -0.565 175.989 176.600 -0.078 0.000 1.458 300 E CA 0.592 56.969 56.400 -0.038 0.000 0.667 300 E CB -1.548 27.985 29.700 -0.278 0.000 1.125 300 E HN 0.928 nan 8.360 nan 0.000 0.384 301 Y N 0.136 120.515 120.300 0.130 0.000 2.352 301 Y HA -0.114 4.435 4.550 -0.000 0.000 0.292 301 Y C 2.378 178.296 175.900 0.030 0.000 1.136 301 Y CA 1.742 59.890 58.100 0.080 0.000 1.227 301 Y CB 0.119 38.648 38.460 0.116 0.000 0.991 301 Y HN 0.699 nan 8.280 nan 0.000 0.545 302 G N -0.650 108.288 108.800 0.231 0.000 2.579 302 G HA2 -0.301 3.658 3.960 -0.000 0.000 0.222 302 G HA3 -0.301 3.658 3.960 -0.000 0.000 0.222 302 G C 0.484 175.457 174.900 0.120 0.000 1.201 302 G CA 0.489 45.666 45.100 0.129 0.000 0.710 302 G HN 0.606 nan 8.290 nan 0.000 0.516 303 T N -2.215 112.284 114.554 -0.092 0.000 2.896 303 T HA 0.667 5.017 4.350 -0.000 0.000 0.297 303 T C 0.936 175.068 174.700 -0.946 0.000 1.108 303 T CA 0.219 62.012 62.100 -0.512 0.000 1.004 303 T CB 2.029 70.723 68.868 -0.290 0.000 1.159 303 T HN 1.020 nan 8.240 nan 0.000 0.499 304 L N 1.098 121.439 121.223 -1.471 0.000 2.079 304 L HA 0.048 4.388 4.340 -0.000 0.000 0.210 304 L C 1.853 178.371 176.870 -0.587 0.000 1.081 304 L CA 2.036 56.211 54.840 -1.108 0.000 0.752 304 L CB -1.121 40.443 42.059 -0.825 0.000 0.896 304 L HN 0.796 nan 8.230 nan 0.000 0.433 305 D N -0.551 119.610 120.400 -0.399 0.000 2.123 305 D HA -0.177 4.463 4.640 -0.000 0.000 0.196 305 D C 1.926 178.109 176.300 -0.196 0.000 0.992 305 D CA 1.078 54.939 54.000 -0.233 0.000 0.833 305 D CB -0.205 40.499 40.800 -0.159 0.000 0.954 305 D HN 0.353 nan 8.370 nan 0.000 0.455 306 N N 0.049 118.633 118.700 -0.195 0.000 2.084 306 N HA -0.122 4.618 4.740 -0.000 0.000 0.190 306 N C 1.780 177.203 175.510 -0.144 0.000 1.030 306 N CA 0.572 53.568 53.050 -0.089 0.000 0.849 306 N CB -0.370 38.121 38.487 0.007 0.000 1.012 306 N HN 0.265 nan 8.380 nan 0.000 0.423 307 M N 0.658 120.040 119.600 -0.363 0.000 2.086 307 M HA -0.136 4.344 4.480 -0.000 0.000 0.261 307 M C 2.231 178.287 176.300 -0.407 0.000 1.067 307 M CA 1.427 56.282 55.300 -0.742 0.000 1.116 307 M CB 0.008 32.160 32.600 -0.748 0.000 1.348 307 M HN 0.006 nan 8.290 nan 0.000 0.407 308 R N 0.173 120.467 120.500 -0.343 0.000 2.105 308 R HA -0.240 4.099 4.340 -0.000 0.000 0.239 308 R C 2.034 178.335 176.300 0.002 0.000 1.135 308 R CA 2.227 58.284 56.100 -0.072 0.000 0.967 308 R CB -0.404 29.854 30.300 -0.070 0.000 0.861 308 R HN 0.592 nan 8.270 nan 0.000 0.442 309 E N -0.317 119.855 120.200 -0.045 0.000 2.051 309 E HA -0.165 4.184 4.350 -0.000 0.000 0.192 309 E C 1.855 178.479 176.600 0.040 0.000 0.991 309 E CA 1.596 57.998 56.400 0.002 0.000 0.799 309 E CB 0.102 29.798 29.700 -0.007 0.000 0.748 309 E HN 0.216 nan 8.360 nan 0.000 0.449 310 V N 0.421 120.358 119.914 0.037 0.000 2.343 310 V HA -0.234 3.885 4.120 -0.000 0.000 0.247 310 V C 2.403 178.582 176.094 0.141 0.000 1.051 310 V CA 1.385 63.744 62.300 0.098 0.000 1.036 310 V CB -0.243 31.686 31.823 0.177 0.000 0.654 310 V HN 0.215 nan 8.190 nan 0.000 0.451 311 V N -0.335 119.681 119.914 0.170 0.000 2.295 311 V HA -0.218 3.902 4.120 -0.000 0.000 0.246 311 V C 2.626 178.883 176.094 0.272 0.000 1.049 311 V CA 1.912 64.408 62.300 0.327 0.000 1.024 311 V CB -0.577 31.442 31.823 0.326 0.000 0.648 311 V HN 0.535 nan 8.190 nan 0.000 0.447 312 E N 0.528 120.826 120.200 0.165 0.000 2.072 312 E HA -0.205 4.145 4.350 -0.000 0.000 0.191 312 E C 2.375 179.038 176.600 0.105 0.000 0.985 312 E CA 1.506 57.976 56.400 0.117 0.000 0.801 312 E CB -0.347 29.401 29.700 0.079 0.000 0.750 312 E HN 0.765 nan 8.360 nan 0.000 0.452 313 R N 0.812 121.368 120.500 0.094 0.000 2.120 313 R HA -0.001 4.338 4.340 -0.000 0.000 0.234 313 R C 1.739 178.093 176.300 0.089 0.000 1.123 313 R CA 1.371 57.517 56.100 0.077 0.000 0.975 313 R CB -0.304 30.031 30.300 0.059 0.000 0.866 313 R HN 0.052 nan 8.270 nan 0.000 0.446 314 N N 0.896 119.669 118.700 0.122 0.000 2.250 314 N HA -0.033 4.706 4.740 -0.000 0.000 0.181 314 N C 1.730 177.351 175.510 0.186 0.000 1.017 314 N CA 0.885 54.001 53.050 0.109 0.000 0.866 314 N CB -0.066 38.406 38.487 -0.025 0.000 0.985 314 N HN 0.350 nan 8.380 nan 0.000 0.429 315 R N 1.107 121.757 120.500 0.250 0.000 2.081 315 R HA 0.005 4.345 4.340 -0.000 0.000 0.235 315 R C 2.242 178.598 176.300 0.094 0.000 1.131 315 R CA 1.232 57.438 56.100 0.176 0.000 0.960 315 R CB -0.310 30.064 30.300 0.122 0.000 0.856 315 R HN 0.144 nan 8.270 nan 0.000 0.436 316 A N 1.318 124.185 122.820 0.079 0.000 1.972 316 A HA -0.089 4.231 4.320 -0.000 0.000 0.219 316 A C 2.231 179.839 177.584 0.041 0.000 1.169 316 A CA 1.643 53.710 52.037 0.050 0.000 0.635 316 A CB -0.436 18.591 19.000 0.044 0.000 0.810 316 A HN 0.394 nan 8.150 nan 0.000 0.446 317 A N -1.804 121.045 122.820 0.048 0.000 2.235 317 A HA 0.167 4.487 4.320 -0.000 0.000 0.208 317 A C 0.884 178.480 177.584 0.020 0.000 1.172 317 A CA 0.944 53.000 52.037 0.032 0.000 0.786 317 A CB -0.206 18.812 19.000 0.032 0.000 0.804 317 A HN 0.502 nan 8.150 nan 0.000 0.479 318 Q N -2.277 117.541 119.800 0.031 0.000 2.487 318 Q HA -0.210 4.130 4.340 -0.000 0.000 0.279 318 Q C -0.276 175.717 176.000 -0.011 0.000 1.228 318 Q CA 0.685 56.496 55.803 0.014 0.000 0.873 318 Q CB -2.497 26.240 28.738 -0.002 0.000 1.260 318 Q HN 0.557 nan 8.270 nan 0.000 0.471 319 L N 1.757 122.988 121.223 0.013 0.000 2.410 319 L HA 0.242 4.582 4.340 -0.000 0.000 0.273 319 L C -1.893 174.966 176.870 -0.020 0.000 1.152 319 L CA -1.003 53.815 54.840 -0.036 0.000 0.855 319 L CB 0.529 42.571 42.059 -0.028 0.000 1.129 319 L HN -0.148 nan 8.230 nan 0.000 0.463 320 P HA 0.086 nan 4.420 nan 0.000 0.267 320 P C -1.767 175.558 177.300 0.041 0.000 1.209 320 P CA 0.418 63.282 63.100 -0.393 0.000 0.763 320 P CB 0.187 31.212 31.700 -1.125 0.000 0.816 321 Y N 2.732 123.092 120.300 0.100 0.000 2.241 321 Y HA 0.187 4.737 4.550 -0.000 0.000 0.320 321 Y C -0.550 175.450 175.900 0.167 0.000 1.206 321 Y CA -0.925 57.335 58.100 0.268 0.000 1.370 321 Y CB 0.219 38.807 38.460 0.214 0.000 1.257 321 Y HN 0.238 nan 8.280 nan 0.000 0.403 322 D N 2.658 123.215 120.400 0.262 0.000 2.324 322 D HA 0.254 4.893 4.640 -0.000 0.000 0.212 322 D C -0.331 175.873 176.300 -0.160 0.000 0.984 322 D CA 1.262 55.275 54.000 0.022 0.000 0.885 322 D CB 0.819 41.676 40.800 0.095 0.000 0.996 322 D HN 0.155 nan 8.370 nan 0.000 0.505 323 V N 0.927 120.768 119.914 -0.121 0.000 2.638 323 V HA 0.439 4.559 4.120 -0.000 0.000 0.306 323 V C -0.768 175.418 176.094 0.152 0.000 1.052 323 V CA -0.988 61.242 62.300 -0.116 0.000 0.885 323 V CB 1.908 33.562 31.823 -0.282 0.000 0.999 323 V HN -0.163 nan 8.190 nan 0.000 0.424 324 Q N 2.816 122.718 119.800 0.170 0.000 2.316 324 Q HA 0.464 4.804 4.340 -0.000 0.000 0.264 324 Q C -0.887 175.367 176.000 0.423 0.000 0.987 324 Q CA -0.193 55.819 55.803 0.350 0.000 0.852 324 Q CB 1.135 30.043 28.738 0.284 0.000 1.287 324 Q HN 0.837 nan 8.270 nan 0.000 0.448 325 H N 1.278 120.514 119.070 0.276 0.000 2.502 325 H HA 0.801 5.357 4.556 -0.000 0.000 0.338 325 H C -1.094 174.510 175.328 0.461 0.000 1.155 325 H CA -1.007 55.239 56.048 0.330 0.000 1.237 325 H CB 1.913 31.793 29.762 0.195 0.000 1.534 325 H HN 0.709 nan 8.280 nan 0.000 0.523 326 A N 2.769 125.939 122.820 0.584 0.000 2.311 326 A HA 0.198 4.518 4.320 -0.000 0.000 0.306 326 A C -0.467 177.463 177.584 0.577 0.000 1.189 326 A CA -0.703 51.664 52.037 0.551 0.000 0.791 326 A CB 1.061 20.295 19.000 0.390 0.000 1.172 326 A HN 0.707 nan 8.150 nan 0.000 0.481 327 D N 1.296 121.999 120.400 0.505 0.000 2.511 327 D HA 0.266 4.906 4.640 -0.000 0.000 0.276 327 D C 1.791 178.108 176.300 0.028 0.000 1.220 327 D CA -0.220 53.918 54.000 0.230 0.000 1.077 327 D CB 0.739 41.730 40.800 0.318 0.000 1.126 327 D HN 0.493 nan 8.370 nan 0.000 0.583 328 I N -1.165 119.262 120.570 -0.238 0.000 2.700 328 I HA -0.148 4.022 4.170 -0.000 0.000 0.261 328 I C 1.219 177.074 176.117 -0.436 0.000 1.219 328 I CA 0.861 61.891 61.300 -0.450 0.000 1.463 328 I CB -0.476 37.199 38.000 -0.542 0.000 1.092 328 I HN 0.182 nan 8.210 nan 0.000 0.452 329 D N 2.144 122.423 120.400 -0.200 0.000 2.265 329 D HA -0.308 4.332 4.640 -0.000 0.000 0.208 329 D C 2.010 178.031 176.300 -0.464 0.000 0.977 329 D CA 1.705 55.611 54.000 -0.157 0.000 0.871 329 D CB -0.947 39.916 40.800 0.105 0.000 0.925 329 D HN 0.772 nan 8.370 nan 0.000 0.485 330 Y N 0.323 120.171 120.300 -0.753 0.000 2.439 330 Y HA 0.192 4.742 4.550 -0.000 0.000 0.292 330 Y C 1.372 176.878 175.900 -0.658 0.000 1.130 330 Y CA -0.565 56.656 58.100 -1.465 0.000 1.254 330 Y CB -0.618 37.127 38.460 -1.191 0.000 1.000 330 Y HN -0.209 nan 8.280 nan 0.000 0.554 331 M N 1.500 120.540 119.600 -0.934 0.000 2.198 331 M HA 0.019 4.499 4.480 -0.000 0.000 0.315 331 M C -0.258 175.887 176.300 -0.259 0.000 1.134 331 M CA -0.025 54.919 55.300 -0.594 0.000 1.171 331 M CB 0.226 32.410 32.600 -0.694 0.000 1.413 331 M HN 0.069 nan 8.290 nan 0.000 0.467 332 D N 2.446 122.754 120.400 -0.153 0.000 2.422 332 D HA 0.022 4.662 4.640 -0.000 0.000 0.227 332 D C -0.353 175.865 176.300 -0.135 0.000 1.190 332 D CA 0.371 54.311 54.000 -0.100 0.000 0.905 332 D CB 0.146 40.907 40.800 -0.065 0.000 1.034 332 D HN 0.505 nan 8.370 nan 0.000 0.507 333 E N 3.228 123.355 120.200 -0.122 0.000 2.389 333 E HA -0.289 4.061 4.350 -0.000 0.000 0.243 333 E C -0.039 176.477 176.600 -0.139 0.000 1.154 333 E CA 0.442 56.774 56.400 -0.113 0.000 0.723 333 E CB -1.235 28.406 29.700 -0.097 0.000 1.261 333 E HN 0.774 nan 8.360 nan 0.000 0.390 334 R N -1.355 119.025 120.500 -0.202 0.000 3.531 334 R HA -0.213 4.127 4.340 -0.000 0.000 0.280 334 R C -0.051 176.131 176.300 -0.196 0.000 1.130 334 R CA 1.211 57.177 56.100 -0.224 0.000 0.757 334 R CB -1.193 29.033 30.300 -0.123 0.000 1.218 334 R HN 0.243 nan 8.270 nan 0.000 0.454 335 R N 1.093 121.449 120.500 -0.241 0.000 2.387 335 R HA 0.181 4.521 4.340 -0.000 0.000 0.314 335 R C -0.340 175.839 176.300 -0.202 0.000 0.958 335 R CA -1.105 54.866 56.100 -0.216 0.000 0.846 335 R CB 1.179 31.283 30.300 -0.327 0.000 1.147 335 R HN -0.013 nan 8.270 nan 0.000 0.447 336 D N 2.081 122.370 120.400 -0.185 0.000 2.548 336 D HA -0.100 4.540 4.640 -0.000 0.000 0.231 336 D C 0.375 176.408 176.300 -0.445 0.000 1.142 336 D CA 1.003 54.689 54.000 -0.524 0.000 0.866 336 D CB 0.179 40.573 40.800 -0.677 0.000 1.190 336 D HN 0.404 nan 8.370 nan 0.000 0.469 337 F N -1.704 117.902 119.950 -0.573 0.000 3.043 337 F HA -0.245 4.282 4.527 -0.000 0.000 0.290 337 F C 0.748 176.192 175.800 -0.595 0.000 0.844 337 F CA 0.742 58.159 58.000 -0.972 0.000 1.184 337 F CB -2.648 36.064 39.000 -0.481 0.000 1.246 337 F HN 0.310 nan 8.300 nan 0.000 0.536 338 T N -2.302 112.053 114.554 -0.332 0.000 2.900 338 T HA 0.755 5.105 4.350 -0.000 0.000 0.303 338 T C -0.811 174.079 174.700 0.317 0.000 1.142 338 T CA -0.640 61.516 62.100 0.092 0.000 1.007 338 T CB 2.952 71.856 68.868 0.059 0.000 1.156 338 T HN 0.535 nan 8.240 nan 0.000 0.490 339 Y N -0.530 120.007 120.300 0.396 0.000 2.562 339 Y HA 0.731 5.281 4.550 -0.000 0.000 0.343 339 Y C -0.462 175.540 175.900 0.170 0.000 1.025 339 Y CA -1.385 56.911 58.100 0.328 0.000 1.082 339 Y CB 1.211 39.999 38.460 0.547 0.000 1.264 339 Y HN 0.585 nan 8.280 nan 0.000 0.478 340 D N 1.793 122.320 120.400 0.211 0.000 2.359 340 D HA 0.032 4.672 4.640 -0.000 0.000 0.250 340 D C 0.996 177.422 176.300 0.210 0.000 1.264 340 D CA 0.522 54.606 54.000 0.140 0.000 0.911 340 D CB 0.980 41.889 40.800 0.181 0.000 1.056 340 D HN 0.758 nan 8.370 nan 0.000 0.499 341 S N 2.030 117.743 115.700 0.022 0.000 2.474 341 S HA -0.099 4.370 4.470 -0.000 0.000 0.235 341 S C 1.668 176.338 174.600 0.116 0.000 0.997 341 S CA 0.474 58.704 58.200 0.050 0.000 0.949 341 S CB 0.113 63.279 63.200 -0.057 0.000 0.766 341 S HN 0.310 nan 8.310 nan 0.000 0.517 342 V N 1.985 121.955 119.914 0.094 0.000 2.398 342 V HA 0.012 4.131 4.120 -0.000 0.000 0.236 342 V C 2.225 178.361 176.094 0.070 0.000 1.054 342 V CA 1.527 63.869 62.300 0.070 0.000 1.060 342 V CB -0.681 31.165 31.823 0.038 0.000 0.707 342 V HN 0.336 nan 8.190 nan 0.000 0.480 343 D N -0.379 120.076 120.400 0.091 0.000 2.224 343 D HA -0.043 4.597 4.640 -0.000 0.000 0.205 343 D C 1.017 177.246 176.300 -0.118 0.000 0.965 343 D CA 1.223 55.235 54.000 0.021 0.000 0.852 343 D CB -0.018 40.836 40.800 0.091 0.000 0.947 343 D HN 0.442 nan 8.370 nan 0.000 0.494 344 F N 0.629 120.593 119.950 0.023 0.000 2.855 344 F HA 0.196 4.722 4.527 -0.000 0.000 0.317 344 F C 0.783 176.704 175.800 0.201 0.000 1.169 344 F CA -0.746 57.259 58.000 0.008 0.000 1.299 344 F CB 0.176 39.080 39.000 -0.159 0.000 0.962 344 F HN -0.380 nan 8.300 nan 0.000 0.506 345 K N 0.672 121.220 120.400 0.247 0.000 2.472 345 K HA 0.279 4.598 4.320 -0.000 0.000 0.280 345 K C 1.202 177.922 176.600 0.200 0.000 1.028 345 K CA 1.198 57.637 56.287 0.254 0.000 1.045 345 K CB 0.139 32.718 32.500 0.132 0.000 0.902 345 K HN 0.572 nan 8.250 nan 0.000 0.478 346 G N 4.339 113.287 108.800 0.247 0.000 2.132 346 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.234 346 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.234 346 G C 0.308 175.325 174.900 0.195 0.000 0.989 346 G CA 0.075 45.275 45.100 0.167 0.000 0.676 346 G HN 0.681 nan 8.290 nan 0.000 0.522 347 F N 1.955 121.886 119.950 -0.032 0.000 2.095 347 F HA 0.041 4.568 4.527 -0.000 0.000 0.298 347 F C 0.461 176.179 175.800 -0.137 0.000 1.104 347 F CA 1.794 59.716 58.000 -0.129 0.000 1.232 347 F CB -1.226 37.495 39.000 -0.465 0.000 0.987 347 F HN 0.260 nan 8.300 nan 0.000 0.475 348 P HA -0.201 nan 4.420 nan 0.000 0.216 348 P C 1.729 178.932 177.300 -0.162 0.000 1.150 348 P CA 1.907 64.858 63.100 -0.249 0.000 0.837 348 P CB -0.180 31.434 31.700 -0.142 0.000 0.786 349 E N -1.406 118.768 120.200 -0.044 0.000 2.106 349 E HA -0.188 4.162 4.350 -0.000 0.000 0.192 349 E C 1.806 178.390 176.600 -0.028 0.000 0.984 349 E CA 0.783 57.165 56.400 -0.030 0.000 0.806 349 E CB -0.472 29.239 29.700 0.018 0.000 0.750 349 E HN 0.142 nan 8.360 nan 0.000 0.458 350 F N 1.068 120.952 119.950 -0.110 0.000 2.126 350 F HA -0.211 4.316 4.527 -0.000 0.000 0.299 350 F C 2.028 177.684 175.800 -0.240 0.000 1.096 350 F CA 1.267 59.200 58.000 -0.110 0.000 1.255 350 F CB -0.307 38.706 39.000 0.021 0.000 0.997 350 F HN -0.151 nan 8.300 nan 0.000 0.479 351 V N 0.813 120.467 119.914 -0.433 0.000 2.427 351 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 351 V C 2.148 177.779 176.094 -0.772 0.000 1.051 351 V CA 1.927 63.786 62.300 -0.736 0.000 1.048 351 V CB -1.006 30.388 31.823 -0.714 0.000 0.666 351 V HN 0.326 nan 8.190 nan 0.000 0.456 352 N N 0.603 119.032 118.700 -0.453 0.000 2.069 352 N HA -0.190 4.550 4.740 -0.000 0.000 0.191 352 N C 1.847 177.189 175.510 -0.279 0.000 1.031 352 N CA 1.706 54.581 53.050 -0.290 0.000 0.852 352 N CB -0.325 38.063 38.487 -0.166 0.000 1.018 352 N HN 0.608 nan 8.380 nan 0.000 0.423 353 E N 0.525 120.541 120.200 -0.306 0.000 2.051 353 E HA -0.101 4.248 4.350 -0.000 0.000 0.192 353 E C 2.090 178.477 176.600 -0.355 0.000 0.991 353 E CA 0.593 56.830 56.400 -0.271 0.000 0.799 353 E CB -0.183 29.385 29.700 -0.220 0.000 0.748 353 E HN 0.262 nan 8.360 nan 0.000 0.449 354 L N 0.332 121.206 121.223 -0.582 0.000 1.978 354 L HA -0.293 4.046 4.340 -0.000 0.000 0.218 354 L C 2.444 179.122 176.870 -0.319 0.000 1.075 354 L CA 1.836 56.348 54.840 -0.546 0.000 0.767 354 L CB -0.713 40.907 42.059 -0.732 0.000 0.890 354 L HN 0.327 nan 8.230 nan 0.000 0.434 355 H N -0.808 118.062 119.070 -0.334 0.000 2.387 355 H HA -0.128 4.428 4.556 -0.000 0.000 0.299 355 H C 1.951 177.149 175.328 -0.217 0.000 1.090 355 H CA 1.072 56.955 56.048 -0.276 0.000 1.332 355 H CB 0.094 29.705 29.762 -0.252 0.000 1.386 355 H HN 0.378 nan 8.280 nan 0.000 0.516 356 N N 0.642 119.298 118.700 -0.074 0.000 2.396 356 N HA -0.090 4.650 4.740 -0.000 0.000 0.180 356 N C 0.593 176.047 175.510 -0.094 0.000 1.028 356 N CA 0.773 53.773 53.050 -0.082 0.000 0.893 356 N CB -0.158 38.279 38.487 -0.083 0.000 0.967 356 N HN 0.488 nan 8.380 nan 0.000 0.440 357 N N -0.374 118.250 118.700 -0.126 0.000 2.314 357 N HA 0.151 4.891 4.740 -0.000 0.000 0.200 357 N C 0.594 176.029 175.510 -0.124 0.000 1.135 357 N CA 0.221 53.198 53.050 -0.122 0.000 0.835 357 N CB 0.562 38.959 38.487 -0.149 0.000 0.989 357 N HN 0.143 nan 8.380 nan 0.000 0.478 358 G N 0.682 109.408 108.800 -0.123 0.000 2.136 358 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.242 358 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.242 358 G C -0.038 174.759 174.900 -0.172 0.000 0.989 358 G CA 0.044 45.070 45.100 -0.124 0.000 0.682 358 G HN 0.351 nan 8.290 nan 0.000 0.522 359 Q N -0.780 118.891 119.800 -0.216 0.000 2.286 359 Q HA 0.768 5.108 4.340 -0.000 0.000 0.250 359 Q C -0.122 175.699 176.000 -0.298 0.000 1.021 359 Q CA -0.826 54.805 55.803 -0.287 0.000 0.930 359 Q CB 1.182 29.696 28.738 -0.373 0.000 1.266 359 Q HN 0.098 nan 8.270 nan 0.000 0.491 360 K N 0.756 120.929 120.400 -0.379 0.000 2.443 360 K HA 0.539 4.859 4.320 -0.000 0.000 0.251 360 K C -1.509 174.921 176.600 -0.283 0.000 0.972 360 K CA -0.909 55.104 56.287 -0.458 0.000 0.833 360 K CB 1.913 33.784 32.500 -1.049 0.000 1.317 360 K HN 0.400 nan 8.250 nan 0.000 0.441 361 L N 1.307 122.420 121.223 -0.184 0.000 2.349 361 L HA 0.435 4.774 4.340 -0.000 0.000 0.278 361 L C -1.335 175.566 176.870 0.052 0.000 0.996 361 L CA -0.659 54.149 54.840 -0.054 0.000 0.825 361 L CB 1.778 43.781 42.059 -0.093 0.000 1.243 361 L HN 0.309 nan 8.230 nan 0.000 0.412 362 V N 6.228 126.168 119.914 0.043 0.000 2.483 362 V HA 0.532 4.652 4.120 -0.000 0.000 0.295 362 V C 0.072 176.252 176.094 0.143 0.000 1.035 362 V CA -0.511 61.835 62.300 0.077 0.000 0.896 362 V CB 1.613 33.310 31.823 -0.210 0.000 0.986 362 V HN 0.742 nan 8.190 nan 0.000 0.447 363 I N 2.634 123.312 120.570 0.181 0.000 2.530 363 I HA 0.650 4.819 4.170 -0.000 0.000 0.297 363 I C -0.317 175.951 176.117 0.253 0.000 1.011 363 I CA -0.677 60.716 61.300 0.154 0.000 1.107 363 I CB 1.829 39.767 38.000 -0.103 0.000 1.285 363 I HN 0.518 nan 8.210 nan 0.000 0.436 364 I N 5.336 126.072 120.570 0.278 0.000 2.662 364 I HA 0.505 4.675 4.170 -0.000 0.000 0.291 364 I C -0.817 175.301 176.117 0.001 0.000 1.046 364 I CA -0.395 60.879 61.300 -0.043 0.000 1.361 364 I CB 1.308 38.957 38.000 -0.586 0.000 1.429 364 I HN 0.473 nan 8.210 nan 0.000 0.558 365 V N 5.800 125.682 119.914 -0.053 0.000 2.851 365 V HA 0.392 4.512 4.120 -0.000 0.000 0.307 365 V C -1.067 175.060 176.094 0.054 0.000 1.129 365 V CA -0.917 61.369 62.300 -0.023 0.000 0.932 365 V CB 2.043 33.922 31.823 0.094 0.000 1.024 365 V HN 0.633 nan 8.190 nan 0.000 0.426 366 D N 4.862 125.291 120.400 0.048 0.000 2.228 366 D HA 0.436 5.076 4.640 -0.000 0.000 0.247 366 D C -1.670 174.788 176.300 0.264 0.000 0.995 366 D CA -1.492 52.580 54.000 0.120 0.000 0.903 366 D CB 2.621 43.459 40.800 0.063 0.000 1.205 366 D HN 0.262 nan 8.370 nan 0.000 0.459 367 P HA -0.014 nan 4.420 nan 0.000 0.220 367 P C 0.183 177.661 177.300 0.297 0.000 1.152 367 P CA 0.489 63.837 63.100 0.413 0.000 0.812 367 P CB 0.275 32.312 31.700 0.561 0.000 0.792 368 A N 1.157 124.041 122.820 0.106 0.000 2.488 368 A HA 0.328 4.648 4.320 -0.000 0.000 0.249 368 A C 0.299 177.819 177.584 -0.106 0.000 1.083 368 A CA 0.227 52.123 52.037 -0.236 0.000 0.768 368 A CB -0.502 18.250 19.000 -0.413 0.000 1.017 368 A HN 0.023 nan 8.150 nan 0.000 0.496 369 I N 2.457 122.918 120.570 -0.181 0.000 2.389 369 I HA 0.179 4.349 4.170 -0.000 0.000 0.288 369 I C 0.870 176.913 176.117 -0.124 0.000 0.999 369 I CA -0.117 61.218 61.300 0.058 0.000 1.129 369 I CB 1.320 39.496 38.000 0.294 0.000 1.288 369 I HN 0.715 nan 8.210 nan 0.000 0.444 370 S N 5.222 120.888 115.700 -0.057 0.000 2.563 370 S HA -0.064 4.406 4.470 -0.000 0.000 0.294 370 S C 1.102 175.469 174.600 -0.387 0.000 1.279 370 S CA -0.096 57.947 58.200 -0.261 0.000 1.069 370 S CB 0.033 62.990 63.200 -0.406 0.000 0.828 370 S HN 0.701 nan 8.310 nan 0.000 0.497 371 N N 3.761 122.083 118.700 -0.629 0.000 2.322 371 N HA 0.010 4.749 4.740 -0.000 0.000 0.216 371 N C -0.457 174.568 175.510 -0.808 0.000 1.144 371 N CA -0.240 52.084 53.050 -1.211 0.000 0.830 371 N CB -0.372 37.600 38.487 -0.859 0.000 1.034 371 N HN 0.429 nan 8.380 nan 0.000 0.484 372 N N 0.442 118.862 118.700 -0.466 0.000 2.678 372 N HA 0.123 4.863 4.740 -0.000 0.000 0.231 372 N C -1.608 173.831 175.510 -0.119 0.000 1.038 372 N CA -0.002 52.895 53.050 -0.254 0.000 0.932 372 N CB 0.510 38.870 38.487 -0.212 0.000 1.176 372 N HN 0.154 nan 8.380 nan 0.000 0.511 373 S N 1.328 117.002 115.700 -0.042 0.000 2.614 373 S HA 0.676 5.146 4.470 -0.000 0.000 0.288 373 S C -0.792 173.861 174.600 0.088 0.000 1.137 373 S CA -0.517 57.753 58.200 0.116 0.000 0.992 373 S CB 0.544 63.930 63.200 0.310 0.000 1.026 373 S HN 0.558 nan 8.310 nan 0.000 0.486 374 S N 2.895 118.641 115.700 0.078 0.000 2.704 374 S HA 0.577 5.047 4.470 -0.000 0.000 0.296 374 S C 0.808 175.446 174.600 0.063 0.000 1.138 374 S CA -0.593 57.642 58.200 0.058 0.000 0.875 374 S CB 1.139 64.358 63.200 0.031 0.000 1.151 374 S HN 0.490 nan 8.310 nan 0.000 0.500 375 S N 1.115 116.844 115.700 0.049 0.000 2.383 375 S HA -0.085 4.385 4.470 -0.000 0.000 0.227 375 S C 2.058 176.682 174.600 0.039 0.000 1.026 375 S CA 1.362 59.588 58.200 0.044 0.000 0.981 375 S CB -0.704 62.517 63.200 0.035 0.000 0.818 375 S HN 0.770 nan 8.310 nan 0.000 0.472 376 S N 1.121 116.840 115.700 0.032 0.000 2.365 376 S HA -0.082 4.388 4.470 -0.000 0.000 0.221 376 S C 0.487 175.107 174.600 0.033 0.000 1.037 376 S CA 1.260 59.476 58.200 0.027 0.000 1.060 376 S CB -0.102 63.109 63.200 0.019 0.000 0.974 376 S HN 0.252 nan 8.310 nan 0.000 0.427 377 K N 2.217 122.640 120.400 0.039 0.000 2.527 377 K HA 0.505 4.824 4.320 -0.000 0.000 0.240 377 K C -2.962 173.689 176.600 0.084 0.000 0.989 377 K CA -2.423 53.894 56.287 0.050 0.000 0.985 377 K CB 1.845 34.362 32.500 0.029 0.000 1.221 377 K HN 0.243 nan 8.250 nan 0.000 0.458 378 P HA 0.074 nan 4.420 nan 0.000 0.279 378 P C -1.323 176.114 177.300 0.228 0.000 1.239 378 P CA -0.405 62.781 63.100 0.143 0.000 0.789 378 P CB 0.452 32.217 31.700 0.108 0.000 0.933 379 Y N 2.060 122.426 120.300 0.111 0.000 2.464 379 Y HA 0.464 5.014 4.550 -0.000 0.000 0.326 379 Y C 1.421 177.439 175.900 0.197 0.000 0.969 379 Y CA -0.409 57.771 58.100 0.135 0.000 1.270 379 Y CB 0.475 39.002 38.460 0.111 0.000 1.103 379 Y HN 0.556 nan 8.280 nan 0.000 0.491 380 G N 5.846 114.584 108.800 -0.102 0.000 2.553 380 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.218 380 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.218 380 G C -0.798 174.025 174.900 -0.129 0.000 1.195 380 G CA 0.990 46.031 45.100 -0.099 0.000 0.779 380 G HN 0.561 nan 8.290 nan 0.000 0.577 381 P HA -0.181 nan 4.420 nan 0.000 0.216 381 P C 1.470 178.993 177.300 0.371 0.000 1.153 381 P CA 1.221 64.355 63.100 0.057 0.000 0.858 381 P CB -0.144 31.555 31.700 -0.001 0.000 0.789 382 Y N 0.762 121.089 120.300 0.045 0.000 2.163 382 Y HA -0.183 4.366 4.550 -0.000 0.000 0.288 382 Y C 1.887 177.949 175.900 0.269 0.000 1.136 382 Y CA 1.683 59.958 58.100 0.292 0.000 1.147 382 Y CB -0.860 37.757 38.460 0.261 0.000 0.987 382 Y HN -0.119 nan 8.280 nan 0.000 0.509 383 D N -0.063 120.401 120.400 0.107 0.000 2.104 383 D HA -0.173 4.466 4.640 -0.000 0.000 0.194 383 D C 2.267 178.530 176.300 -0.061 0.000 0.994 383 D CA 1.579 55.574 54.000 -0.010 0.000 0.830 383 D CB -0.305 40.536 40.800 0.069 0.000 0.959 383 D HN 0.398 nan 8.370 nan 0.000 0.452 384 R N 0.256 120.770 120.500 0.023 0.000 2.081 384 R HA -0.037 4.303 4.340 -0.000 0.000 0.235 384 R C 2.441 178.663 176.300 -0.131 0.000 1.131 384 R CA 1.223 57.346 56.100 0.039 0.000 0.960 384 R CB -0.517 29.885 30.300 0.170 0.000 0.856 384 R HN 0.168 nan 8.270 nan 0.000 0.436 385 G N -0.063 108.530 108.800 -0.345 0.000 2.408 385 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.217 385 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.217 385 G C 1.408 175.662 174.900 -1.078 0.000 1.150 385 G CA 0.599 44.902 45.100 -1.330 0.000 0.776 385 G HN 0.210 nan 8.290 nan 0.000 0.542 386 S N 0.753 116.173 115.700 -0.467 0.000 2.383 386 S HA -0.064 4.406 4.470 -0.000 0.000 0.227 386 S C 1.972 176.410 174.600 -0.270 0.000 1.026 386 S CA 1.140 59.174 58.200 -0.275 0.000 0.981 386 S CB -0.188 62.835 63.200 -0.295 0.000 0.818 386 S HN 0.317 nan 8.310 nan 0.000 0.472 387 D N 1.437 121.697 120.400 -0.234 0.000 2.144 387 D HA -0.021 4.619 4.640 -0.000 0.000 0.199 387 D C 1.598 177.777 176.300 -0.201 0.000 0.984 387 D CA 1.063 54.964 54.000 -0.166 0.000 0.834 387 D CB -0.200 40.535 40.800 -0.109 0.000 0.955 387 D HN 0.387 nan 8.370 nan 0.000 0.465 388 M N -0.369 119.052 119.600 -0.298 0.000 2.595 388 M HA 0.042 4.521 4.480 -0.000 0.000 0.248 388 M C -0.065 176.016 176.300 -0.365 0.000 1.119 388 M CA 0.328 55.450 55.300 -0.296 0.000 1.079 388 M CB 0.175 32.606 32.600 -0.281 0.000 1.472 388 M HN -0.188 nan 8.290 nan 0.000 0.501 389 K N 0.845 120.973 120.400 -0.454 0.000 3.162 389 K HA -0.173 4.147 4.320 -0.000 0.000 0.268 389 K C -0.107 176.199 176.600 -0.491 0.000 1.062 389 K CA 0.291 56.337 56.287 -0.401 0.000 0.769 389 K CB -2.058 30.317 32.500 -0.209 0.000 1.274 389 K HN 0.432 nan 8.250 nan 0.000 0.478 390 I N -3.804 116.246 120.570 -0.867 0.000 3.914 390 I HA 0.229 4.398 4.170 -0.000 0.000 0.333 390 I C 0.268 175.943 176.117 -0.737 0.000 1.449 390 I CA -0.561 60.275 61.300 -0.773 0.000 1.135 390 I CB -0.123 37.403 38.000 -0.790 0.000 1.073 390 I HN 0.156 nan 8.210 nan 0.000 0.401 391 W N 0.176 121.304 121.300 -0.288 0.000 2.253 391 W HA 0.611 5.271 4.660 -0.000 0.000 0.348 391 W C 0.218 176.674 176.519 -0.105 0.000 1.229 391 W CA -1.447 55.774 57.345 -0.207 0.000 1.335 391 W CB 0.580 29.953 29.460 -0.145 0.000 1.165 391 W HN -0.308 nan 8.180 nan 0.000 0.631 392 V N 3.311 123.380 119.914 0.258 0.000 2.585 392 V HA -0.053 4.066 4.120 -0.000 0.000 0.296 392 V C 0.178 176.373 176.094 0.169 0.000 1.035 392 V CA -0.186 62.222 62.300 0.180 0.000 1.084 392 V CB -0.472 31.473 31.823 0.203 0.000 0.953 392 V HN 0.445 nan 8.190 nan 0.000 0.483 393 N N 2.401 121.169 118.700 0.113 0.000 2.472 393 N HA 0.430 5.170 4.740 -0.000 0.000 0.289 393 N C 0.012 175.562 175.510 0.066 0.000 1.156 393 N CA -0.459 52.645 53.050 0.090 0.000 0.940 393 N CB 1.555 40.084 38.487 0.070 0.000 1.200 393 N HN 0.654 nan 8.380 nan 0.000 0.511 394 S N -0.246 115.484 115.700 0.050 0.000 2.617 394 S HA 0.009 4.478 4.470 -0.000 0.000 0.255 394 S C 1.573 176.188 174.600 0.026 0.000 1.318 394 S CA -0.394 57.823 58.200 0.029 0.000 0.978 394 S CB 0.333 63.543 63.200 0.017 0.000 0.961 394 S HN 0.688 nan 8.310 nan 0.000 0.582 395 S N 1.144 116.851 115.700 0.013 0.000 2.419 395 S HA -0.204 4.266 4.470 -0.000 0.000 0.235 395 S C 1.262 175.871 174.600 0.014 0.000 1.019 395 S CA 1.536 59.743 58.200 0.012 0.000 0.982 395 S CB -0.800 62.400 63.200 -0.001 0.000 0.789 395 S HN 0.830 nan 8.310 nan 0.000 0.490 396 D N 1.159 121.567 120.400 0.014 0.000 2.309 396 D HA 0.100 4.740 4.640 -0.000 0.000 0.212 396 D C 1.614 177.927 176.300 0.021 0.000 0.968 396 D CA 0.977 54.986 54.000 0.015 0.000 0.882 396 D CB -1.195 39.613 40.800 0.012 0.000 0.918 396 D HN 0.717 nan 8.370 nan 0.000 0.503 397 G N -0.570 108.247 108.800 0.028 0.000 2.176 397 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.253 397 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.253 397 G C 0.946 175.866 174.900 0.033 0.000 0.979 397 G CA 1.199 46.319 45.100 0.033 0.000 0.641 397 G HN 1.098 nan 8.290 nan 0.000 0.530 398 V N -3.919 116.014 119.914 0.031 0.000 3.426 398 V HA 0.473 4.593 4.120 -0.000 0.000 0.271 398 V C 0.628 176.746 176.094 0.039 0.000 1.530 398 V CA 1.067 63.385 62.300 0.030 0.000 1.021 398 V CB 0.608 32.444 31.823 0.021 0.000 0.824 398 V HN 0.418 nan 8.190 nan 0.000 0.432 399 T N 3.790 118.370 114.554 0.043 0.000 2.743 399 T HA 0.538 4.888 4.350 -0.000 0.000 0.292 399 T C -2.802 171.938 174.700 0.067 0.000 0.972 399 T CA -1.276 60.854 62.100 0.049 0.000 0.967 399 T CB 1.290 70.178 68.868 0.033 0.000 0.926 399 T HN 0.202 nan 8.240 nan 0.000 0.459 400 P HA 0.048 nan 4.420 nan 0.000 0.262 400 P C -0.108 177.228 177.300 0.061 0.000 1.182 400 P CA -0.387 62.782 63.100 0.114 0.000 0.761 400 P CB 0.393 32.161 31.700 0.114 0.000 0.795 401 L N 4.782 126.058 121.223 0.087 0.000 2.367 401 L HA 0.240 4.579 4.340 -0.000 0.000 0.275 401 L C -0.304 176.619 176.870 0.088 0.000 1.129 401 L CA -0.026 54.862 54.840 0.081 0.000 0.839 401 L CB 0.067 42.182 42.059 0.094 0.000 1.133 401 L HN 0.194 nan 8.230 nan 0.000 0.453 402 I N 5.411 126.011 120.570 0.050 0.000 2.336 402 I HA 0.491 4.661 4.170 -0.000 0.000 0.292 402 I C 0.692 176.865 176.117 0.095 0.000 0.991 402 I CA -0.140 61.172 61.300 0.019 0.000 1.227 402 I CB 0.503 38.477 38.000 -0.044 0.000 1.366 402 I HN 0.741 nan 8.210 nan 0.000 0.466 403 G N 5.011 113.917 108.800 0.177 0.000 3.251 403 G HA2 0.610 4.570 3.960 -0.000 0.000 0.248 403 G HA3 0.610 4.570 3.960 -0.000 0.000 0.248 403 G C -1.244 173.682 174.900 0.043 0.000 1.320 403 G CA -0.355 44.877 45.100 0.219 0.000 0.982 403 G HN 0.582 nan 8.290 nan 0.000 0.575 404 E N -0.998 119.225 120.200 0.038 0.000 2.278 404 E HA 0.552 4.901 4.350 -0.000 0.000 0.272 404 E C -1.051 175.393 176.600 -0.259 0.000 0.890 404 E CA -0.664 55.689 56.400 -0.079 0.000 0.770 404 E CB 2.115 31.814 29.700 -0.002 0.000 1.212 404 E HN 0.294 nan 8.360 nan 0.000 0.415 405 V N 2.896 122.555 119.914 -0.426 0.000 5.269 405 V HA 0.306 4.426 4.120 -0.000 0.000 0.294 405 V C 0.778 176.554 176.094 -0.531 0.000 1.520 405 V CA -0.822 60.886 62.300 -0.986 0.000 0.796 405 V CB -0.233 31.090 31.823 -0.833 0.000 1.354 405 V HN 0.897 nan 8.190 nan 0.000 0.438 406 W N 0.965 122.109 121.300 -0.260 0.000 2.358 406 W HA -0.012 4.647 4.660 -0.000 0.000 0.303 406 W C -0.492 176.001 176.519 -0.044 0.000 1.208 406 W CA 1.701 59.050 57.345 0.006 0.000 1.274 406 W CB -1.104 28.347 29.460 -0.016 0.000 1.138 406 W HN 0.491 nan 8.180 nan 0.000 0.515 407 P HA 0.251 nan 4.420 nan 0.000 0.249 407 P C 0.604 177.868 177.300 -0.061 0.000 1.229 407 P CA 1.651 64.735 63.100 -0.027 0.000 0.788 407 P CB 0.581 32.195 31.700 -0.144 0.000 1.072 408 G N -0.483 108.286 108.800 -0.053 0.000 2.295 408 G HA2 -0.130 3.829 3.960 -0.000 0.000 0.195 408 G HA3 -0.130 3.829 3.960 -0.000 0.000 0.195 408 G C -1.236 173.585 174.900 -0.132 0.000 1.269 408 G CA -0.847 44.209 45.100 -0.073 0.000 1.170 408 G HN 0.182 nan 8.290 nan 0.000 0.511 409 Q N 0.947 120.661 119.800 -0.144 0.000 2.349 409 Q HA 0.457 4.797 4.340 -0.000 0.000 0.287 409 Q C 0.392 176.222 176.000 -0.283 0.000 1.044 409 Q CA 1.231 56.925 55.803 -0.181 0.000 0.918 409 Q CB 0.604 29.244 28.738 -0.164 0.000 1.242 409 Q HN 0.945 nan 8.270 nan 0.000 0.405 410 T N -2.271 112.073 114.554 -0.350 0.000 2.868 410 T HA 0.653 5.002 4.350 -0.000 0.000 0.306 410 T C -0.366 173.948 174.700 -0.643 0.000 1.224 410 T CA -0.980 60.796 62.100 -0.540 0.000 1.012 410 T CB 1.119 69.572 68.868 -0.692 0.000 1.221 410 T HN 0.406 nan 8.240 nan 0.000 0.499 411 V N -0.922 118.531 119.914 -0.770 0.000 2.994 411 V HA 0.909 5.029 4.120 -0.000 0.000 0.318 411 V C -1.122 174.458 176.094 -0.857 0.000 1.085 411 V CA -1.339 60.508 62.300 -0.755 0.000 0.998 411 V CB 1.063 32.224 31.823 -1.103 0.000 1.063 411 V HN 0.871 nan 8.190 nan 0.000 0.447 412 F N 0.660 120.530 119.950 -0.133 0.000 2.507 412 F HA 0.686 5.213 4.527 -0.000 0.000 0.325 412 F C -2.475 173.451 175.800 0.209 0.000 1.116 412 F CA -2.555 55.477 58.000 0.052 0.000 0.930 412 F CB 1.996 41.010 39.000 0.024 0.000 1.146 412 F HN 0.298 nan 8.300 nan 0.000 0.447 413 P HA -0.000 nan 4.420 nan 0.000 0.269 413 P C -0.746 176.360 177.300 -0.324 0.000 1.209 413 P CA -0.032 62.968 63.100 -0.166 0.000 0.776 413 P CB 0.637 31.927 31.700 -0.683 0.000 0.876 414 D N 1.821 122.003 120.400 -0.364 0.000 2.518 414 D HA 0.097 4.737 4.640 -0.000 0.000 0.230 414 D C -0.011 176.034 176.300 -0.426 0.000 1.138 414 D CA -0.401 53.423 54.000 -0.293 0.000 0.964 414 D CB -0.426 40.279 40.800 -0.160 0.000 1.011 414 D HN 0.231 nan 8.370 nan 0.000 0.517 415 Y N 0.826 120.872 120.300 -0.424 0.000 2.639 415 Y HA -0.069 4.480 4.550 -0.000 0.000 0.297 415 Y C 2.557 178.115 175.900 -0.571 0.000 1.151 415 Y CA 1.081 58.894 58.100 -0.480 0.000 1.335 415 Y CB -0.318 37.782 38.460 -0.599 0.000 0.994 415 Y HN 0.394 nan 8.280 nan 0.000 0.548 416 T N -2.761 111.451 114.554 -0.569 0.000 3.118 416 T HA -0.047 4.303 4.350 -0.000 0.000 0.260 416 T C 0.626 175.058 174.700 -0.447 0.000 1.139 416 T CA 0.073 61.589 62.100 -0.974 0.000 1.085 416 T CB -0.334 67.669 68.868 -1.442 0.000 0.934 416 T HN 0.067 nan 8.240 nan 0.000 0.518 417 N N 2.465 120.986 118.700 -0.298 0.000 2.422 417 N HA 0.276 5.016 4.740 -0.000 0.000 0.266 417 N C -1.703 173.678 175.510 -0.215 0.000 1.007 417 N CA -2.604 50.269 53.050 -0.295 0.000 0.941 417 N CB 2.058 40.378 38.487 -0.278 0.000 1.115 417 N HN -0.033 nan 8.380 nan 0.000 0.492 418 P HA -0.129 nan 4.420 nan 0.000 0.218 418 P C 0.583 177.844 177.300 -0.065 0.000 1.146 418 P CA 1.062 64.111 63.100 -0.085 0.000 0.813 418 P CB 0.503 32.166 31.700 -0.061 0.000 0.778 419 N N -0.592 118.042 118.700 -0.109 0.000 2.244 419 N HA -0.104 4.636 4.740 -0.000 0.000 0.183 419 N C 1.946 177.444 175.510 -0.020 0.000 1.016 419 N CA 0.691 53.698 53.050 -0.073 0.000 0.866 419 N CB -1.141 37.273 38.487 -0.121 0.000 0.980 419 N HN 0.196 nan 8.380 nan 0.000 0.430 420 C N 1.008 120.273 119.300 -0.060 0.000 2.440 420 C HA 0.097 4.557 4.460 -0.000 0.000 0.278 420 C C 2.761 177.903 174.990 0.254 0.000 1.295 420 C CA 1.028 60.063 59.018 0.029 0.000 1.738 420 C CB -1.158 26.475 27.740 -0.178 0.000 1.987 420 C HN 0.456 nan 8.230 nan 0.000 0.492 421 A N 0.038 122.958 122.820 0.167 0.000 1.940 421 A HA -0.075 4.244 4.320 -0.000 0.000 0.219 421 A C 2.312 180.029 177.584 0.221 0.000 1.176 421 A CA 2.302 54.483 52.037 0.240 0.000 0.631 421 A CB -0.772 18.303 19.000 0.125 0.000 0.814 421 A HN 0.478 nan 8.150 nan 0.000 0.446 422 V N -1.911 118.086 119.914 0.138 0.000 2.307 422 V HA -0.254 3.865 4.120 -0.000 0.000 0.245 422 V C 2.194 178.360 176.094 0.120 0.000 1.045 422 V CA 1.852 64.209 62.300 0.096 0.000 1.024 422 V CB -1.080 30.772 31.823 0.048 0.000 0.651 422 V HN 0.902 nan 8.190 nan 0.000 0.449 423 W N -0.095 121.200 121.300 -0.008 0.000 2.335 423 W HA -0.248 4.412 4.660 -0.000 0.000 0.311 423 W C 2.534 179.105 176.519 0.087 0.000 1.213 423 W CA 1.852 59.179 57.345 -0.029 0.000 1.274 423 W CB -0.522 28.858 29.460 -0.133 0.000 1.148 423 W HN 0.385 nan 8.180 nan 0.000 0.498 424 W N 1.085 122.196 121.300 -0.316 0.000 2.358 424 W HA -0.240 4.420 4.660 -0.000 0.000 0.303 424 W C 1.946 178.330 176.519 -0.226 0.000 1.208 424 W CA 2.079 59.130 57.345 -0.489 0.000 1.274 424 W CB -0.538 29.001 29.460 0.131 0.000 1.138 424 W HN -0.196 nan 8.180 nan 0.000 0.515 425 T N 0.693 115.273 114.554 0.044 0.000 2.708 425 T HA -0.250 4.100 4.350 -0.000 0.000 0.266 425 T C 1.626 176.243 174.700 -0.137 0.000 1.037 425 T CA 1.977 64.068 62.100 -0.014 0.000 1.146 425 T CB -0.372 68.507 68.868 0.018 0.000 0.865 425 T HN -0.096 nan 8.240 nan 0.000 0.435 426 K N 1.199 121.481 120.400 -0.195 0.000 2.103 426 K HA -0.087 4.232 4.320 -0.000 0.000 0.207 426 K C 2.225 178.595 176.600 -0.383 0.000 1.048 426 K CA 1.163 57.312 56.287 -0.230 0.000 0.930 426 K CB -0.238 32.158 32.500 -0.174 0.000 0.716 426 K HN 0.132 nan 8.250 nan 0.000 0.444 427 E N -0.364 119.405 120.200 -0.719 0.000 2.051 427 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 427 E C 1.985 177.999 176.600 -0.978 0.000 0.991 427 E CA 1.154 56.847 56.400 -1.177 0.000 0.799 427 E CB -0.381 28.052 29.700 -2.111 0.000 0.748 427 E HN 0.306 nan 8.360 nan 0.000 0.449 428 F N 1.296 120.866 119.950 -0.633 0.000 2.186 428 F HA -0.093 4.434 4.527 -0.000 0.000 0.299 428 F C 2.496 178.304 175.800 0.013 0.000 1.090 428 F CA 1.148 59.066 58.000 -0.136 0.000 1.307 428 F CB -0.244 38.674 39.000 -0.137 0.000 1.019 428 F HN 0.092 nan 8.300 nan 0.000 0.489 429 E N 0.404 120.624 120.200 0.032 0.000 2.077 429 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 429 E C 2.295 178.911 176.600 0.026 0.000 0.989 429 E CA 1.032 57.417 56.400 -0.025 0.000 0.800 429 E CB -0.199 29.444 29.700 -0.095 0.000 0.746 429 E HN 0.348 nan 8.360 nan 0.000 0.452 430 L N -0.051 121.164 121.223 -0.014 0.000 1.989 430 L HA -0.198 4.141 4.340 -0.000 0.000 0.211 430 L C 2.488 179.458 176.870 0.166 0.000 1.071 430 L CA 1.206 56.063 54.840 0.028 0.000 0.749 430 L CB -0.505 41.527 42.059 -0.045 0.000 0.890 430 L HN 0.220 nan 8.230 nan 0.000 0.431 431 F N -0.251 119.742 119.950 0.072 0.000 2.186 431 F HA -0.232 4.295 4.527 -0.000 0.000 0.299 431 F C 2.708 178.720 175.800 0.354 0.000 1.090 431 F CA 1.505 59.658 58.000 0.254 0.000 1.307 431 F CB -0.544 38.684 39.000 0.378 0.000 1.019 431 F HN 0.155 nan 8.300 nan 0.000 0.489 432 H N 0.257 119.445 119.070 0.197 0.000 2.456 432 H HA -0.135 4.421 4.556 -0.000 0.000 0.296 432 H C 1.645 176.853 175.328 -0.200 0.000 1.079 432 H CA 1.452 57.430 56.048 -0.118 0.000 1.322 432 H CB -0.098 29.447 29.762 -0.362 0.000 1.388 432 H HN 0.255 nan 8.280 nan 0.000 0.538 433 N N 0.735 119.407 118.700 -0.047 0.000 2.223 433 N HA -0.130 4.610 4.740 -0.000 0.000 0.185 433 N C 1.906 177.345 175.510 -0.118 0.000 1.016 433 N CA 1.055 54.062 53.050 -0.071 0.000 0.863 433 N CB -0.113 38.370 38.487 -0.007 0.000 0.983 433 N HN 0.662 nan 8.380 nan 0.000 0.429 434 Q N -0.224 119.497 119.800 -0.132 0.000 2.134 434 Q HA 0.140 4.479 4.340 -0.000 0.000 0.195 434 Q C 0.015 175.850 176.000 -0.275 0.000 0.958 434 Q CA 0.652 56.397 55.803 -0.098 0.000 0.840 434 Q CB 0.604 29.385 28.738 0.072 0.000 0.918 434 Q HN 0.015 nan 8.270 nan 0.000 0.467 435 V N 1.932 121.538 119.914 -0.513 0.000 2.407 435 V HA 0.177 4.296 4.120 -0.000 0.000 0.291 435 V C -0.626 175.110 176.094 -0.596 0.000 1.018 435 V CA -0.521 61.419 62.300 -0.600 0.000 0.842 435 V CB 1.633 33.024 31.823 -0.721 0.000 0.996 435 V HN 0.174 nan 8.190 nan 0.000 0.426 436 E N 4.829 124.660 120.200 -0.614 0.000 2.110 436 E HA 0.232 4.582 4.350 -0.000 0.000 0.300 436 E C -0.203 176.177 176.600 -0.366 0.000 1.278 436 E CA -0.307 55.619 56.400 -0.790 0.000 1.365 436 E CB 0.120 29.562 29.700 -0.430 0.000 1.283 436 E HN 0.685 nan 8.360 nan 0.000 0.490 437 F N -0.819 119.032 119.950 -0.165 0.000 2.485 437 F HA 0.153 4.679 4.527 -0.000 0.000 0.327 437 F C 0.842 176.849 175.800 0.345 0.000 1.203 437 F CA -0.263 57.785 58.000 0.081 0.000 1.295 437 F CB 0.665 39.753 39.000 0.147 0.000 1.191 437 F HN -0.019 nan 8.300 nan 0.000 0.588 438 D N -0.071 120.523 120.400 0.323 0.000 2.449 438 D HA 0.275 4.915 4.640 -0.000 0.000 0.210 438 D C 0.634 176.918 176.300 -0.027 0.000 1.094 438 D CA 0.530 54.539 54.000 0.015 0.000 0.846 438 D CB 1.226 41.846 40.800 -0.301 0.000 1.003 438 D HN 0.775 nan 8.370 nan 0.000 0.504 439 G N 0.353 109.363 108.800 0.350 0.000 2.608 439 G HA2 0.602 4.562 3.960 -0.000 0.000 0.291 439 G HA3 0.602 4.562 3.960 -0.000 0.000 0.291 439 G C -1.787 173.361 174.900 0.412 0.000 1.425 439 G CA -0.652 44.680 45.100 0.386 0.000 0.787 439 G HN -0.017 nan 8.290 nan 0.000 0.484 440 I N -0.179 120.561 120.570 0.283 0.000 2.533 440 I HA 0.395 4.565 4.170 -0.000 0.000 0.290 440 I C -1.460 174.800 176.117 0.238 0.000 1.056 440 I CA -0.571 60.854 61.300 0.208 0.000 1.057 440 I CB 2.678 40.719 38.000 0.070 0.000 1.240 440 I HN 0.545 nan 8.210 nan 0.000 0.423 441 W N 9.148 130.482 121.300 0.057 0.000 2.296 441 W HA 0.605 5.265 4.660 -0.000 0.000 0.316 441 W C -0.929 175.650 176.519 0.101 0.000 1.022 441 W CA -1.907 55.456 57.345 0.031 0.000 1.324 441 W CB 0.793 30.256 29.460 0.004 0.000 1.227 441 W HN 0.329 nan 8.180 nan 0.000 0.409 442 I N 3.860 124.651 120.570 0.368 0.000 2.304 442 I HA 0.407 4.577 4.170 -0.000 0.000 0.291 442 I C -0.230 176.044 176.117 0.262 0.000 1.018 442 I CA -0.353 61.099 61.300 0.255 0.000 1.260 442 I CB 1.080 39.230 38.000 0.250 0.000 1.390 442 I HN 0.187 nan 8.210 nan 0.000 0.475 443 D N 5.613 126.070 120.400 0.096 0.000 2.392 443 D HA 0.526 5.166 4.640 -0.000 0.000 0.246 443 D C 0.493 176.880 176.300 0.145 0.000 1.013 443 D CA -0.497 53.590 54.000 0.145 0.000 0.993 443 D CB 1.461 42.185 40.800 -0.127 0.000 1.219 443 D HN 0.734 nan 8.370 nan 0.000 0.538 444 M N 0.325 120.016 119.600 0.152 0.000 2.503 444 M HA -0.266 4.214 4.480 -0.000 0.000 0.199 444 M C -0.162 176.195 176.300 0.095 0.000 0.466 444 M CA 0.415 55.789 55.300 0.123 0.000 0.510 444 M CB -1.880 30.785 32.600 0.108 0.000 1.858 444 M HN 0.419 nan 8.290 nan 0.000 0.799 445 N N -0.668 118.104 118.700 0.120 0.000 2.279 445 N HA 0.184 4.924 4.740 -0.000 0.000 0.226 445 N C 0.565 176.115 175.510 0.068 0.000 1.126 445 N CA 0.037 53.174 53.050 0.145 0.000 0.846 445 N CB 0.233 38.865 38.487 0.242 0.000 1.050 445 N HN 0.358 nan 8.380 nan 0.000 0.502 446 E N 0.001 120.191 120.200 -0.017 0.000 2.085 446 E HA -0.065 4.285 4.350 -0.000 0.000 0.194 446 E C 0.362 176.714 176.600 -0.414 0.000 0.994 446 E CA 0.685 57.013 56.400 -0.120 0.000 0.801 446 E CB 0.052 29.746 29.700 -0.011 0.000 0.743 446 E HN 0.265 nan 8.360 nan 0.000 0.453 447 V N 0.058 119.679 119.914 -0.490 0.000 2.539 447 V HA 0.286 4.405 4.120 -0.000 0.000 0.292 447 V C -0.268 175.676 176.094 -0.250 0.000 1.045 447 V CA -0.494 61.517 62.300 -0.482 0.000 0.945 447 V CB 1.820 32.995 31.823 -1.081 0.000 0.993 447 V HN 0.108 nan 8.190 nan 0.000 0.464 448 S N 5.445 121.070 115.700 -0.124 0.000 2.457 448 S HA 0.477 4.947 4.470 -0.000 0.000 0.289 448 S C -0.478 174.071 174.600 -0.084 0.000 1.163 448 S CA -0.541 57.638 58.200 -0.034 0.000 1.078 448 S CB 0.316 63.550 63.200 0.057 0.000 0.987 448 S HN 0.862 nan 8.310 nan 0.000 0.482 449 N N 3.515 122.186 118.700 -0.049 0.000 2.249 449 N HA 0.414 5.154 4.740 -0.000 0.000 0.296 449 N C -0.216 175.351 175.510 0.095 0.000 1.051 449 N CA -0.814 52.207 53.050 -0.049 0.000 0.815 449 N CB 0.689 39.134 38.487 -0.070 0.000 1.487 449 N HN 0.452 nan 8.380 nan 0.000 0.475 450 F N 0.681 120.596 119.950 -0.057 0.000 2.558 450 F HA 0.062 4.589 4.527 -0.000 0.000 0.298 450 F C 1.099 176.871 175.800 -0.047 0.000 1.119 450 F CA 0.046 57.989 58.000 -0.095 0.000 1.451 450 F CB -0.587 38.309 39.000 -0.174 0.000 1.091 450 F HN 0.270 nan 8.300 nan 0.000 0.563 451 V N -2.653 117.351 119.914 0.150 0.000 2.850 451 V HA 0.476 4.596 4.120 -0.000 0.000 0.315 451 V C -0.284 175.864 176.094 0.089 0.000 1.064 451 V CA -1.196 61.160 62.300 0.094 0.000 0.979 451 V CB 1.687 33.549 31.823 0.066 0.000 1.039 451 V HN -0.206 nan 8.190 nan 0.000 0.452 452 D N 2.247 122.706 120.400 0.099 0.000 2.352 452 D HA 0.493 5.133 4.640 -0.000 0.000 0.245 452 D C 1.116 177.523 176.300 0.178 0.000 1.224 452 D CA 1.552 55.664 54.000 0.186 0.000 0.879 452 D CB 0.735 41.680 40.800 0.241 0.000 1.057 452 D HN 1.265 nan 8.370 nan 0.000 0.491 453 G N 2.887 111.785 108.800 0.164 0.000 5.155 453 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.239 453 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.239 453 G C 0.398 175.287 174.900 -0.018 0.000 1.409 453 G CA 0.629 45.755 45.100 0.044 0.000 0.927 453 G HN 1.082 nan 8.290 nan 0.000 0.710 454 S N -1.726 113.962 115.700 -0.021 0.000 2.672 454 S HA 0.636 5.106 4.470 -0.000 0.000 0.271 454 S C 1.178 175.779 174.600 0.001 0.000 1.171 454 S CA 0.545 58.744 58.200 -0.001 0.000 0.817 454 S CB 1.220 64.413 63.200 -0.012 0.000 1.150 454 S HN 1.903 nan 8.310 nan 0.000 0.478 455 V N -0.079 119.839 119.914 0.006 0.000 2.594 455 V HA 0.016 4.136 4.120 -0.000 0.000 0.253 455 V C 1.551 177.636 176.094 -0.016 0.000 1.069 455 V CA 1.993 64.291 62.300 -0.003 0.000 1.082 455 V CB -1.557 30.259 31.823 -0.012 0.000 0.680 455 V HN 1.067 nan 8.190 nan 0.000 0.469 456 S N -0.355 115.330 115.700 -0.025 0.000 2.614 456 S HA 0.568 5.038 4.470 -0.000 0.000 0.230 456 S C 1.172 175.737 174.600 -0.058 0.000 0.952 456 S CA 0.255 58.434 58.200 -0.035 0.000 0.949 456 S CB -0.341 62.839 63.200 -0.033 0.000 0.786 456 S HN 1.630 nan 8.310 nan 0.000 0.478 457 G N 0.736 109.497 108.800 -0.065 0.000 2.569 457 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.259 457 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.259 457 G C -0.295 174.484 174.900 -0.203 0.000 1.263 457 G CA -0.217 44.810 45.100 -0.122 0.000 0.928 457 G HN 0.821 nan 8.290 nan 0.000 0.572 458 C N -0.232 118.859 119.300 -0.348 0.000 2.498 458 C HA 0.736 5.196 4.460 -0.000 0.000 0.316 458 C C 0.769 175.580 174.990 -0.297 0.000 1.209 458 C CA -0.042 58.728 59.018 -0.413 0.000 1.518 458 C CB 1.205 28.421 27.740 -0.875 0.000 2.147 458 C HN 0.972 nan 8.230 nan 0.000 0.483 459 S N 1.560 117.149 115.700 -0.185 0.000 2.573 459 S HA 0.162 4.632 4.470 -0.000 0.000 0.277 459 S C 0.313 174.852 174.600 -0.102 0.000 1.346 459 S CA -0.008 58.124 58.200 -0.114 0.000 1.034 459 S CB 0.252 63.408 63.200 -0.072 0.000 0.879 459 S HN 0.806 nan 8.310 nan 0.000 0.528 460 T N 4.327 118.851 114.554 -0.050 0.000 2.727 460 T HA 0.416 4.766 4.350 -0.000 0.000 0.295 460 T C 0.119 174.817 174.700 -0.004 0.000 0.915 460 T CA -0.523 61.573 62.100 -0.006 0.000 1.066 460 T CB -0.636 68.241 68.868 0.016 0.000 0.891 460 T HN 0.794 nan 8.240 nan 0.000 0.516 461 N N 1.570 120.272 118.700 0.003 0.000 3.020 461 N HA 0.197 4.937 4.740 -0.000 0.000 0.248 461 N C 0.527 176.037 175.510 -0.001 0.000 1.480 461 N CA -1.044 52.004 53.050 -0.005 0.000 0.874 461 N CB 0.329 38.802 38.487 -0.024 0.000 1.433 461 N HN 0.208 nan 8.380 nan 0.000 0.530 462 N N -0.036 118.649 118.700 -0.025 0.000 2.443 462 N HA -0.107 4.633 4.740 -0.000 0.000 0.184 462 N C 0.734 176.175 175.510 -0.115 0.000 1.037 462 N CA 1.020 54.045 53.050 -0.041 0.000 0.896 462 N CB -0.165 38.292 38.487 -0.049 0.000 0.959 462 N HN 0.615 nan 8.380 nan 0.000 0.442 463 L N 0.266 121.400 121.223 -0.147 0.000 2.084 463 L HA 0.037 4.377 4.340 -0.000 0.000 0.202 463 L C 1.720 178.653 176.870 0.106 0.000 1.074 463 L CA 1.005 55.724 54.840 -0.202 0.000 0.757 463 L CB -0.546 41.401 42.059 -0.185 0.000 0.918 463 L HN 0.099 nan 8.230 nan 0.000 0.444 464 N N -0.031 118.733 118.700 0.107 0.000 2.331 464 N HA -0.068 4.672 4.740 -0.000 0.000 0.180 464 N C 0.115 175.821 175.510 0.327 0.000 1.019 464 N CA 0.646 53.837 53.050 0.234 0.000 0.881 464 N CB 0.166 38.668 38.487 0.025 0.000 0.972 464 N HN 0.306 nan 8.380 nan 0.000 0.435 465 N N 0.789 119.601 118.700 0.187 0.000 2.765 465 N HA 0.190 4.930 4.740 -0.000 0.000 0.277 465 N C -2.861 172.701 175.510 0.087 0.000 1.750 465 N CA -0.734 52.407 53.050 0.153 0.000 0.827 465 N CB 1.506 40.083 38.487 0.151 0.000 1.200 465 N HN 0.150 nan 8.380 nan 0.000 0.494 466 P HA 0.230 nan 4.420 nan 0.000 0.272 466 P C -1.811 175.549 177.300 0.100 0.000 1.240 466 P CA -0.723 62.443 63.100 0.109 0.000 0.791 466 P CB 0.795 32.619 31.700 0.207 0.000 0.978 467 P HA -0.073 nan 4.420 nan 0.000 0.216 467 P C 0.084 177.537 177.300 0.255 0.000 1.150 467 P CA 1.492 64.742 63.100 0.249 0.000 0.843 467 P CB -0.035 31.874 31.700 0.349 0.000 0.787 468 F N -0.889 119.032 119.950 -0.048 0.000 2.547 468 F HA 0.467 4.993 4.527 -0.000 0.000 0.316 468 F C -1.030 174.688 175.800 -0.136 0.000 1.121 468 F CA -0.614 57.238 58.000 -0.248 0.000 0.911 468 F CB 1.578 40.203 39.000 -0.626 0.000 1.179 468 F HN -0.433 nan 8.300 nan 0.000 0.443 469 T N 7.126 121.061 114.554 -1.031 0.000 2.792 469 T HA 0.451 4.801 4.350 -0.000 0.000 0.280 469 T C -2.651 171.387 174.700 -1.104 0.000 0.990 469 T CA -1.301 60.315 62.100 -0.806 0.000 0.960 469 T CB 1.629 70.181 68.868 -0.527 0.000 0.939 469 T HN 0.295 nan 8.240 nan 0.000 0.439 470 P HA 0.170 nan 4.420 nan 0.000 0.271 470 P C 0.145 177.263 177.300 -0.303 0.000 1.244 470 P CA -0.696 62.183 63.100 -0.369 0.000 0.793 470 P CB 0.433 32.069 31.700 -0.106 0.000 0.984 471 R N 1.615 122.020 120.500 -0.158 0.000 4.860 471 R HA 0.194 4.533 4.340 -0.000 0.000 0.191 471 R C 0.477 176.727 176.300 -0.083 0.000 1.936 471 R CA -0.156 55.864 56.100 -0.133 0.000 1.609 471 R CB -1.367 28.875 30.300 -0.097 0.000 1.392 471 R HN 0.437 nan 8.270 nan 0.000 0.844 472 I N -1.791 118.717 120.570 -0.102 0.000 2.779 472 I HA 0.130 4.300 4.170 -0.000 0.000 0.285 472 I C 0.306 176.406 176.117 -0.028 0.000 1.134 472 I CA -1.023 60.258 61.300 -0.032 0.000 1.398 472 I CB 0.425 38.389 38.000 -0.060 0.000 1.404 472 I HN 0.116 nan 8.210 nan 0.000 0.587 473 L N 5.774 127.010 121.223 0.022 0.000 2.540 473 L HA 0.040 4.380 4.340 -0.000 0.000 0.276 473 L C 0.422 177.296 176.870 0.006 0.000 1.212 473 L CA 1.243 56.093 54.840 0.017 0.000 0.893 473 L CB -0.522 41.560 42.059 0.038 0.000 1.138 473 L HN 0.862 nan 8.230 nan 0.000 0.491 474 D N 2.825 123.227 120.400 0.004 0.000 2.653 474 D HA -0.231 4.408 4.640 -0.000 0.000 0.184 474 D C 1.121 177.445 176.300 0.040 0.000 0.993 474 D CA 1.508 55.523 54.000 0.026 0.000 1.027 474 D CB -1.318 39.498 40.800 0.025 0.000 1.089 474 D HN 1.282 nan 8.370 nan 0.000 0.447 475 G N -0.145 108.619 108.800 -0.061 0.000 2.168 475 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.263 475 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.263 475 G C -0.041 174.643 174.900 -0.360 0.000 0.977 475 G CA 0.868 45.848 45.100 -0.200 0.000 0.659 475 G HN 0.495 nan 8.290 nan 0.000 0.533 476 Y N -1.209 118.899 120.300 -0.320 0.000 2.425 476 Y HA 0.561 5.111 4.550 -0.000 0.000 0.344 476 Y C 1.510 177.105 175.900 -0.508 0.000 0.969 476 Y CA -1.117 56.689 58.100 -0.489 0.000 1.052 476 Y CB 1.469 39.435 38.460 -0.823 0.000 1.215 476 Y HN -0.073 nan 8.280 nan 0.000 0.451 477 L N 1.852 122.896 121.223 -0.299 0.000 2.083 477 L HA -0.219 4.121 4.340 -0.000 0.000 0.209 477 L C 1.644 178.499 176.870 -0.024 0.000 1.083 477 L CA 1.682 56.357 54.840 -0.275 0.000 0.752 477 L CB -0.354 41.538 42.059 -0.279 0.000 0.899 477 L HN 0.736 nan 8.230 nan 0.000 0.433 478 F N -2.142 117.853 119.950 0.075 0.000 2.773 478 F HA 0.194 4.721 4.527 -0.000 0.000 0.304 478 F C 1.128 176.954 175.800 0.042 0.000 1.129 478 F CA -1.484 56.550 58.000 0.057 0.000 1.378 478 F CB -1.600 37.423 39.000 0.038 0.000 1.095 478 F HN -0.095 nan 8.300 nan 0.000 0.565 479 C N 4.934 124.112 119.300 -0.203 0.000 2.648 479 C HA 0.099 4.559 4.460 -0.000 0.000 0.406 479 C C 1.183 176.193 174.990 0.033 0.000 1.406 479 C CA -0.424 58.528 59.018 -0.110 0.000 1.610 479 C CB -1.414 26.242 27.740 -0.140 0.000 2.451 479 C HN 0.654 nan 8.230 nan 0.000 0.608 480 K N 3.489 123.927 120.400 0.063 0.000 3.069 480 K HA -0.168 4.152 4.320 -0.000 0.000 0.267 480 K C 0.114 176.752 176.600 0.063 0.000 1.082 480 K CA 1.403 57.738 56.287 0.081 0.000 0.782 480 K CB -2.084 30.469 32.500 0.089 0.000 1.230 480 K HN 0.966 nan 8.250 nan 0.000 0.488 481 T N -1.504 113.084 114.554 0.057 0.000 2.598 481 T HA 0.645 4.995 4.350 -0.000 0.000 0.289 481 T C -0.806 173.864 174.700 -0.050 0.000 1.056 481 T CA -0.810 61.288 62.100 -0.004 0.000 1.088 481 T CB 0.976 69.906 68.868 0.103 0.000 1.519 481 T HN 0.106 nan 8.240 nan 0.000 0.488 482 L N 1.462 122.617 121.223 -0.114 0.000 2.418 482 L HA 0.403 4.743 4.340 -0.000 0.000 0.265 482 L C 0.616 177.506 176.870 0.032 0.000 1.143 482 L CA -0.998 53.765 54.840 -0.127 0.000 0.809 482 L CB 0.474 42.395 42.059 -0.229 0.000 1.124 482 L HN 0.703 nan 8.230 nan 0.000 0.456 483 C N 2.595 121.899 119.300 0.006 0.000 2.550 483 C HA -0.066 4.394 4.460 -0.000 0.000 0.406 483 C C 2.020 177.058 174.990 0.080 0.000 1.366 483 C CA -0.404 58.625 59.018 0.018 0.000 1.712 483 C CB 0.090 27.801 27.740 -0.049 0.000 2.613 483 C HN 0.755 nan 8.230 nan 0.000 0.608 484 M N 2.434 122.113 119.600 0.131 0.000 2.476 484 M HA -0.026 4.454 4.480 -0.000 0.000 0.262 484 M C 1.449 177.830 176.300 0.135 0.000 1.079 484 M CA 1.315 56.730 55.300 0.191 0.000 1.104 484 M CB -0.926 31.851 32.600 0.296 0.000 1.409 484 M HN 0.821 nan 8.290 nan 0.000 0.467 485 D N -0.515 119.922 120.400 0.062 0.000 2.363 485 D HA 0.235 4.875 4.640 -0.000 0.000 0.214 485 D C 0.533 176.854 176.300 0.035 0.000 1.093 485 D CA -0.097 53.922 54.000 0.033 0.000 0.837 485 D CB -0.432 40.367 40.800 -0.003 0.000 0.948 485 D HN 0.057 nan 8.370 nan 0.000 0.507 486 A N 0.153 122.999 122.820 0.044 0.000 2.507 486 A HA 0.424 4.744 4.320 -0.000 0.000 0.235 486 A C 0.004 177.626 177.584 0.063 0.000 1.070 486 A CA -0.195 51.870 52.037 0.046 0.000 0.768 486 A CB 0.546 19.569 19.000 0.038 0.000 1.011 486 A HN 0.121 nan 8.150 nan 0.000 0.502 487 V N 2.493 122.446 119.914 0.066 0.000 2.531 487 V HA 0.438 4.557 4.120 -0.000 0.000 0.301 487 V C -0.044 176.098 176.094 0.080 0.000 1.034 487 V CA -0.391 61.952 62.300 0.071 0.000 0.865 487 V CB 1.356 33.215 31.823 0.060 0.000 0.995 487 V HN 1.056 nan 8.190 nan 0.000 0.424 488 Q N 1.157 121.011 119.800 0.090 0.000 2.587 488 Q HA 0.417 4.756 4.340 -0.000 0.000 0.293 488 Q C 0.835 176.909 176.000 0.122 0.000 1.083 488 Q CA -0.855 54.998 55.803 0.084 0.000 0.792 488 Q CB 2.068 30.843 28.738 0.063 0.000 1.484 488 Q HN 0.845 nan 8.270 nan 0.000 0.446 489 H N 0.244 119.316 119.070 0.003 0.000 2.353 489 H HA -0.157 4.399 4.556 -0.000 0.000 0.298 489 H C 0.702 176.172 175.328 0.237 0.000 1.103 489 H CA 1.942 58.023 56.048 0.056 0.000 1.293 489 H CB 0.355 30.100 29.762 -0.029 0.000 1.372 489 H HN 0.635 nan 8.280 nan 0.000 0.501 490 W N 0.959 122.228 121.300 -0.051 0.000 2.595 490 W HA 0.239 4.899 4.660 -0.000 0.000 0.257 490 W C 1.304 177.867 176.519 0.073 0.000 1.267 490 W CA 1.399 58.727 57.345 -0.027 0.000 1.300 490 W CB -0.336 29.173 29.460 0.082 0.000 1.120 490 W HN 0.482 nan 8.180 nan 0.000 0.618 491 G N -0.742 108.211 108.800 0.255 0.000 2.320 491 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.274 491 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.274 491 G C -0.935 174.024 174.900 0.098 0.000 1.324 491 G CA -1.177 44.021 45.100 0.162 0.000 0.957 491 G HN -0.170 nan 8.290 nan 0.000 0.481 492 K N 0.130 120.559 120.400 0.048 0.000 2.237 492 K HA 0.273 4.593 4.320 -0.000 0.000 0.270 492 K C 1.269 177.905 176.600 0.059 0.000 1.015 492 K CA -0.236 56.084 56.287 0.055 0.000 0.949 492 K CB 1.568 34.099 32.500 0.050 0.000 0.976 492 K HN 0.538 nan 8.250 nan 0.000 0.472 493 Q N 1.925 121.788 119.800 0.106 0.000 2.152 493 Q HA -0.270 4.069 4.340 -0.000 0.000 0.206 493 Q C 1.572 177.681 176.000 0.182 0.000 0.985 493 Q CA 1.841 57.732 55.803 0.146 0.000 0.863 493 Q CB -0.401 28.427 28.738 0.149 0.000 0.904 493 Q HN 0.689 nan 8.270 nan 0.000 0.422 494 Y N 0.440 120.764 120.300 0.040 0.000 2.181 494 Y HA -0.288 4.261 4.550 -0.000 0.000 0.284 494 Y C 1.393 177.273 175.900 -0.034 0.000 1.179 494 Y CA 2.310 60.428 58.100 0.030 0.000 1.179 494 Y CB -0.015 38.443 38.460 -0.003 0.000 0.973 494 Y HN 0.259 nan 8.280 nan 0.000 0.519 495 D N -0.447 119.907 120.400 -0.077 0.000 2.262 495 D HA -0.004 4.636 4.640 -0.000 0.000 0.212 495 D C 1.775 177.808 176.300 -0.446 0.000 0.964 495 D CA 1.582 55.276 54.000 -0.511 0.000 0.875 495 D CB -0.010 40.032 40.800 -1.264 0.000 0.996 495 D HN 0.644 nan 8.370 nan 0.000 0.497 496 I N -2.198 118.260 120.570 -0.188 0.000 4.082 496 I HA 0.146 4.315 4.170 -0.000 0.000 0.337 496 I C 1.899 178.067 176.117 0.085 0.000 1.352 496 I CA -0.222 61.077 61.300 -0.002 0.000 1.097 496 I CB -0.052 38.041 38.000 0.155 0.000 1.048 496 I HN -0.115 nan 8.210 nan 0.000 0.393 497 H N 3.117 122.189 119.070 0.004 0.000 2.292 497 H HA -0.262 4.294 4.556 -0.000 0.000 0.292 497 H C 1.141 176.433 175.328 -0.059 0.000 1.100 497 H CA 2.703 58.737 56.048 -0.023 0.000 1.238 497 H CB -0.197 29.527 29.762 -0.064 0.000 1.355 497 H HN 0.573 nan 8.280 nan 0.000 0.484 498 N N 0.056 118.718 118.700 -0.064 0.000 2.573 498 N HA -0.058 4.682 4.740 -0.000 0.000 0.187 498 N C 1.303 176.760 175.510 -0.088 0.000 1.107 498 N CA 0.178 53.182 53.050 -0.076 0.000 0.918 498 N CB 0.158 38.704 38.487 0.098 0.000 0.966 498 N HN 0.372 nan 8.380 nan 0.000 0.448 499 L N -0.962 120.212 121.223 -0.082 0.000 2.640 499 L HA 0.086 4.426 4.340 -0.000 0.000 0.230 499 L C 1.425 178.391 176.870 0.160 0.000 1.123 499 L CA -0.149 54.708 54.840 0.029 0.000 0.900 499 L CB -0.128 42.016 42.059 0.143 0.000 1.146 499 L HN 0.190 nan 8.230 nan 0.000 0.484 500 Y N 1.574 121.856 120.300 -0.030 0.000 2.089 500 Y HA -0.184 4.366 4.550 -0.000 0.000 0.282 500 Y C 2.378 178.272 175.900 -0.010 0.000 1.139 500 Y CA 2.042 60.121 58.100 -0.036 0.000 1.123 500 Y CB -0.179 38.211 38.460 -0.117 0.000 0.980 500 Y HN 0.117 nan 8.280 nan 0.000 0.493 501 G N -1.493 107.446 108.800 0.231 0.000 2.422 501 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.218 501 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.218 501 G C 1.488 176.437 174.900 0.081 0.000 1.140 501 G CA 0.888 46.080 45.100 0.153 0.000 0.775 501 G HN 0.594 nan 8.290 nan 0.000 0.545 502 Y N 2.864 123.184 120.300 0.034 0.000 2.114 502 Y HA -0.235 4.315 4.550 -0.000 0.000 0.284 502 Y C 3.105 178.944 175.900 -0.102 0.000 1.143 502 Y CA 2.192 60.325 58.100 0.054 0.000 1.135 502 Y CB -0.488 38.087 38.460 0.192 0.000 0.980 502 Y HN 0.290 nan 8.280 nan 0.000 0.499 503 S N 0.065 115.648 115.700 -0.195 0.000 2.399 503 S HA -0.294 4.175 4.470 -0.000 0.000 0.231 503 S C 2.181 176.451 174.600 -0.549 0.000 1.022 503 S CA 1.438 59.369 58.200 -0.449 0.000 0.983 503 S CB -0.830 62.043 63.200 -0.544 0.000 0.803 503 S HN 0.696 nan 8.310 nan 0.000 0.480 504 M N 1.559 120.802 119.600 -0.595 0.000 2.132 504 M HA 0.018 4.498 4.480 -0.000 0.000 0.263 504 M C 2.386 178.362 176.300 -0.541 0.000 1.065 504 M CA 1.610 56.366 55.300 -0.907 0.000 1.122 504 M CB -0.569 31.552 32.600 -0.799 0.000 1.365 504 M HN 0.496 nan 8.290 nan 0.000 0.411 505 A N -0.243 122.365 122.820 -0.354 0.000 1.908 505 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 505 A C 2.027 179.319 177.584 -0.487 0.000 1.181 505 A CA 1.956 53.831 52.037 -0.269 0.000 0.627 505 A CB -1.198 17.728 19.000 -0.123 0.000 0.818 505 A HN 0.423 nan 8.150 nan 0.000 0.445 506 V N -0.082 119.325 119.914 -0.845 0.000 2.255 506 V HA -0.300 3.820 4.120 -0.000 0.000 0.247 506 V C 3.070 178.883 176.094 -0.469 0.000 1.051 506 V CA 2.173 63.843 62.300 -1.050 0.000 1.018 506 V CB -1.387 29.832 31.823 -1.006 0.000 0.641 506 V HN 0.629 nan 8.190 nan 0.000 0.445 507 A N -0.346 122.280 122.820 -0.324 0.000 1.933 507 A HA -0.223 4.096 4.320 -0.000 0.000 0.218 507 A C 2.372 180.050 177.584 0.157 0.000 1.175 507 A CA 2.522 54.520 52.037 -0.065 0.000 0.628 507 A CB -0.930 18.028 19.000 -0.071 0.000 0.814 507 A HN 0.538 nan 8.150 nan 0.000 0.444 508 T N 0.105 114.732 114.554 0.123 0.000 2.857 508 T HA 0.092 4.441 4.350 -0.000 0.000 0.266 508 T C 2.225 176.958 174.700 0.055 0.000 1.048 508 T CA 1.227 63.469 62.100 0.236 0.000 1.139 508 T CB -0.380 68.633 68.868 0.242 0.000 0.874 508 T HN 0.584 nan 8.240 nan 0.000 0.455 509 A N 1.707 124.531 122.820 0.007 0.000 1.908 509 A HA -0.162 4.157 4.320 -0.000 0.000 0.218 509 A C 2.217 179.835 177.584 0.057 0.000 1.181 509 A CA 2.058 54.127 52.037 0.053 0.000 0.627 509 A CB -0.640 18.444 19.000 0.139 0.000 0.818 509 A HN 0.469 nan 8.150 nan 0.000 0.445 510 E N 0.291 120.512 120.200 0.034 0.000 2.051 510 E HA -0.093 4.257 4.350 -0.000 0.000 0.192 510 E C 2.018 178.649 176.600 0.053 0.000 0.991 510 E CA 1.752 58.181 56.400 0.049 0.000 0.799 510 E CB -0.540 29.184 29.700 0.040 0.000 0.748 510 E HN 0.466 nan 8.360 nan 0.000 0.449 511 A N 0.719 123.583 122.820 0.073 0.000 1.940 511 A HA -0.103 4.217 4.320 -0.000 0.000 0.219 511 A C 2.410 179.958 177.584 -0.059 0.000 1.176 511 A CA 2.098 54.143 52.037 0.013 0.000 0.631 511 A CB -0.996 18.003 19.000 -0.002 0.000 0.814 511 A HN 0.402 nan 8.150 nan 0.000 0.446 512 A N -0.274 122.543 122.820 -0.005 0.000 2.067 512 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 512 A C 1.994 179.623 177.584 0.076 0.000 1.158 512 A CA 1.562 53.661 52.037 0.104 0.000 0.661 512 A CB -0.373 18.751 19.000 0.208 0.000 0.801 512 A HN 0.588 nan 8.150 nan 0.000 0.452 513 K N -0.849 119.573 120.400 0.036 0.000 2.147 513 K HA -0.085 4.235 4.320 -0.000 0.000 0.205 513 K C 1.754 178.341 176.600 -0.022 0.000 1.049 513 K CA 1.724 58.025 56.287 0.023 0.000 0.936 513 K CB -0.199 32.317 32.500 0.027 0.000 0.722 513 K HN 0.454 nan 8.250 nan 0.000 0.446 514 T N 0.275 114.790 114.554 -0.065 0.000 2.983 514 T HA -0.010 4.340 4.350 -0.000 0.000 0.250 514 T C 1.985 176.543 174.700 -0.237 0.000 1.037 514 T CA 0.578 62.608 62.100 -0.117 0.000 1.142 514 T CB 0.138 68.949 68.868 -0.096 0.000 0.876 514 T HN -0.086 nan 8.240 nan 0.000 0.455 515 V N 0.530 120.216 119.914 -0.379 0.000 2.591 515 V HA 0.096 4.216 4.120 -0.000 0.000 0.249 515 V C 0.356 175.817 176.094 -1.054 0.000 1.053 515 V CA 1.131 62.939 62.300 -0.821 0.000 1.068 515 V CB -0.504 30.682 31.823 -1.061 0.000 0.689 515 V HN 0.412 nan 8.190 nan 0.000 0.462 516 F N 0.377 120.197 119.950 -0.217 0.000 2.550 516 F HA 0.477 5.004 4.527 -0.000 0.000 0.348 516 F C -2.678 173.062 175.800 -0.100 0.000 1.219 516 F CA -2.975 54.924 58.000 -0.168 0.000 1.203 516 F CB 0.119 39.049 39.000 -0.116 0.000 1.436 516 F HN -0.013 nan 8.300 nan 0.000 0.541 517 P HA 0.059 nan 4.420 nan 0.000 0.263 517 P C 0.205 177.523 177.300 0.029 0.000 1.195 517 P CA 0.653 63.754 63.100 0.002 0.000 0.762 517 P CB 0.388 32.070 31.700 -0.030 0.000 0.799 518 N N -0.243 118.476 118.700 0.031 0.000 2.863 518 N HA -0.162 4.578 4.740 -0.000 0.000 0.245 518 N C -0.262 175.267 175.510 0.032 0.000 1.001 518 N CA 1.309 54.377 53.050 0.029 0.000 0.901 518 N CB -0.933 37.566 38.487 0.019 0.000 1.124 518 N HN 0.483 nan 8.380 nan 0.000 0.582 519 K N 0.707 121.140 120.400 0.056 0.000 2.156 519 K HA 0.378 4.698 4.320 -0.000 0.000 0.250 519 K C 1.293 177.904 176.600 0.018 0.000 0.955 519 K CA -0.642 55.671 56.287 0.042 0.000 0.855 519 K CB 1.439 33.978 32.500 0.065 0.000 1.101 519 K HN 0.041 nan 8.250 nan 0.000 0.434 520 R N 0.561 121.044 120.500 -0.028 0.000 2.092 520 R HA -0.088 4.252 4.340 -0.000 0.000 0.231 520 R C 1.075 177.323 176.300 -0.086 0.000 1.119 520 R CA 1.022 57.081 56.100 -0.068 0.000 0.970 520 R CB -0.122 30.103 30.300 -0.125 0.000 0.864 520 R HN 0.886 nan 8.270 nan 0.000 0.440 521 S N -0.827 114.808 115.700 -0.110 0.000 3.525 521 S HA -0.311 4.159 4.470 -0.000 0.000 0.629 521 S C -0.599 173.966 174.600 -0.058 0.000 2.621 521 S CA 1.162 59.261 58.200 -0.169 0.000 3.752 521 S CB -0.777 62.152 63.200 -0.453 0.000 0.260 521 S HN 0.323 nan 8.310 nan 0.000 1.214 522 F N 0.692 120.532 119.950 -0.183 0.000 2.670 522 F HA 0.696 5.223 4.527 -0.000 0.000 0.332 522 F C -1.221 174.540 175.800 -0.065 0.000 1.179 522 F CA -0.637 57.250 58.000 -0.189 0.000 1.076 522 F CB 0.736 39.612 39.000 -0.208 0.000 1.322 522 F HN 0.552 nan 8.300 nan 0.000 0.515 523 I N 6.902 127.057 120.570 -0.691 0.000 2.436 523 I HA 0.452 4.622 4.170 -0.000 0.000 0.289 523 I C -1.490 174.122 176.117 -0.841 0.000 1.010 523 I CA -1.031 59.955 61.300 -0.524 0.000 1.098 523 I CB 1.907 39.786 38.000 -0.201 0.000 1.266 523 I HN 0.500 nan 8.210 nan 0.000 0.434 524 L N 6.327 127.194 121.223 -0.594 0.000 2.305 524 L HA 0.637 4.977 4.340 -0.000 0.000 0.284 524 L C -0.330 176.604 176.870 0.105 0.000 1.013 524 L CA 0.275 54.881 54.840 -0.389 0.000 0.819 524 L CB 1.747 43.567 42.059 -0.399 0.000 1.227 524 L HN 0.602 nan 8.230 nan 0.000 0.417 525 T N 3.740 118.404 114.554 0.184 0.000 2.887 525 T HA 0.438 4.788 4.350 -0.000 0.000 0.288 525 T C 0.687 175.621 174.700 0.391 0.000 1.021 525 T CA -0.430 61.858 62.100 0.314 0.000 1.000 525 T CB 1.603 70.575 68.868 0.173 0.000 1.034 525 T HN 0.831 nan 8.240 nan 0.000 0.467 526 R N 1.865 122.528 120.500 0.272 0.000 2.062 526 R HA 0.256 4.596 4.340 -0.000 0.000 0.218 526 R C 0.865 177.180 176.300 0.026 0.000 1.161 526 R CA 0.276 56.262 56.100 -0.190 0.000 0.994 526 R CB -0.272 29.765 30.300 -0.437 0.000 0.888 526 R HN 0.558 nan 8.270 nan 0.000 0.442 527 S N 0.408 116.162 115.700 0.091 0.000 2.545 527 S HA 0.181 4.651 4.470 -0.000 0.000 0.275 527 S C -0.442 174.234 174.600 0.128 0.000 1.299 527 S CA -0.347 57.930 58.200 0.128 0.000 1.048 527 S CB 0.965 64.240 63.200 0.125 0.000 0.938 527 S HN 0.422 nan 8.310 nan 0.000 0.496 528 T N 2.143 116.771 114.554 0.122 0.000 2.906 528 T HA 0.735 5.085 4.350 -0.000 0.000 0.295 528 T C -1.006 173.854 174.700 0.266 0.000 1.075 528 T CA -0.698 61.512 62.100 0.182 0.000 1.005 528 T CB 1.271 70.205 68.868 0.110 0.000 1.136 528 T HN 0.483 nan 8.240 nan 0.000 0.498 529 F N 0.852 120.881 119.950 0.131 0.000 2.654 529 F HA 0.758 5.285 4.527 -0.000 0.000 0.334 529 F C -0.012 175.809 175.800 0.036 0.000 1.078 529 F CA -1.156 56.863 58.000 0.032 0.000 0.986 529 F CB 1.452 40.407 39.000 -0.075 0.000 1.362 529 F HN 1.008 nan 8.300 nan 0.000 0.498 530 A N 1.581 123.984 122.820 -0.695 0.000 2.561 530 A HA 0.419 4.739 4.320 -0.000 0.000 0.251 530 A C 1.002 178.567 177.584 -0.033 0.000 1.062 530 A CA 1.054 52.852 52.037 -0.399 0.000 0.761 530 A CB -1.317 17.357 19.000 -0.542 0.000 0.986 530 A HN 1.983 nan 8.150 nan 0.000 0.510 531 G N 1.704 110.509 108.800 0.008 0.000 2.201 531 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.212 531 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.212 531 G C 1.284 176.384 174.900 0.333 0.000 0.994 531 G CA 0.646 45.844 45.100 0.164 0.000 0.644 531 G HN 1.009 nan 8.290 nan 0.000 0.508 532 S N 0.516 116.467 115.700 0.417 0.000 2.419 532 S HA -0.015 4.455 4.470 -0.000 0.000 0.235 532 S C 2.482 177.223 174.600 0.235 0.000 1.019 532 S CA 1.912 60.380 58.200 0.446 0.000 0.982 532 S CB -0.502 62.921 63.200 0.371 0.000 0.789 532 S HN 1.338 nan 8.310 nan 0.000 0.490 533 G N 1.359 110.226 108.800 0.112 0.000 2.479 533 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.220 533 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.220 533 G C 1.219 176.052 174.900 -0.111 0.000 1.115 533 G CA 0.829 45.941 45.100 0.021 0.000 0.757 533 G HN 0.498 nan 8.290 nan 0.000 0.560 534 K N -0.643 119.593 120.400 -0.273 0.000 2.209 534 K HA -0.027 4.293 4.320 -0.000 0.000 0.204 534 K C 1.363 177.560 176.600 -0.672 0.000 1.048 534 K CA 1.028 56.963 56.287 -0.587 0.000 0.940 534 K CB -0.132 31.810 32.500 -0.930 0.000 0.729 534 K HN 0.422 nan 8.250 nan 0.000 0.451 535 F N -0.967 118.954 119.950 -0.049 0.000 2.711 535 F HA 0.383 4.910 4.527 -0.000 0.000 0.296 535 F C 0.394 176.127 175.800 -0.111 0.000 1.096 535 F CA -0.318 57.635 58.000 -0.078 0.000 1.280 535 F CB 0.827 39.772 39.000 -0.092 0.000 1.060 535 F HN -0.095 nan 8.300 nan 0.000 0.608 536 A N 0.025 122.875 122.820 0.050 0.000 2.594 536 A HA 0.835 5.155 4.320 -0.000 0.000 0.295 536 A C -0.760 176.759 177.584 -0.108 0.000 1.071 536 A CA -0.420 51.574 52.037 -0.072 0.000 0.685 536 A CB 0.485 19.479 19.000 -0.011 0.000 1.285 536 A HN 0.124 nan 8.150 nan 0.000 0.405 537 A N 0.215 122.872 122.820 -0.270 0.000 2.280 537 A HA 0.692 5.012 4.320 -0.000 0.000 0.268 537 A C -0.151 177.350 177.584 -0.138 0.000 1.111 537 A CA 0.196 52.090 52.037 -0.237 0.000 0.814 537 A CB 0.212 18.953 19.000 -0.432 0.000 1.093 537 A HN 1.633 nan 8.150 nan 0.000 0.498 538 H N -1.789 117.137 119.070 -0.241 0.000 2.930 538 H HA 0.548 5.103 4.556 -0.000 0.000 0.371 538 H C -1.330 173.939 175.328 -0.099 0.000 1.169 538 H CA -0.768 55.159 56.048 -0.202 0.000 1.157 538 H CB 1.084 30.608 29.762 -0.396 0.000 1.789 538 H HN 0.864 nan 8.280 nan 0.000 0.547 539 W N 5.331 126.071 121.300 -0.933 0.000 2.799 539 W HA 0.462 5.122 4.660 -0.000 0.000 0.349 539 W C -1.002 174.994 176.519 -0.873 0.000 1.100 539 W CA -1.163 55.811 57.345 -0.618 0.000 1.174 539 W CB 0.934 30.259 29.460 -0.225 0.000 1.427 539 W HN 0.500 nan 8.180 nan 0.000 0.547 540 L N 3.879 124.786 121.223 -0.525 0.000 2.599 540 L HA 0.344 4.683 4.340 -0.000 0.000 0.230 540 L C 1.194 177.856 176.870 -0.347 0.000 1.141 540 L CA 0.861 55.463 54.840 -0.396 0.000 0.877 540 L CB -1.167 40.864 42.059 -0.047 0.000 1.009 540 L HN 1.019 nan 8.230 nan 0.000 0.447 541 G N 0.107 108.418 108.800 -0.815 0.000 2.548 541 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.208 541 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.208 541 G C -0.950 173.944 174.900 -0.010 0.000 1.308 541 G CA -0.646 44.105 45.100 -0.582 0.000 0.924 541 G HN 0.130 nan 8.290 nan 0.000 0.540 542 D N 2.416 122.850 120.400 0.057 0.000 2.517 542 D HA 0.317 4.956 4.640 -0.000 0.000 0.220 542 D C 1.138 177.596 176.300 0.264 0.000 1.158 542 D CA -0.051 53.944 54.000 -0.009 0.000 0.992 542 D CB -0.203 40.584 40.800 -0.022 0.000 1.058 542 D HN 0.629 nan 8.370 nan 0.000 0.516 543 N N 0.081 118.960 118.700 0.299 0.000 2.374 543 N HA 0.267 5.006 4.740 -0.000 0.000 0.284 543 N C -0.164 175.551 175.510 0.341 0.000 1.280 543 N CA -0.270 52.985 53.050 0.341 0.000 0.963 543 N CB 0.323 39.030 38.487 0.367 0.000 1.141 543 N HN -0.087 nan 8.380 nan 0.000 0.565 544 T N -1.450 113.284 114.554 0.300 0.000 2.906 544 T HA 0.660 5.010 4.350 -0.000 0.000 0.295 544 T C -0.561 174.267 174.700 0.214 0.000 1.061 544 T CA -0.613 61.606 62.100 0.198 0.000 1.000 544 T CB 1.523 70.495 68.868 0.173 0.000 1.103 544 T HN 0.702 nan 8.240 nan 0.000 0.486 545 A N 2.732 125.614 122.820 0.103 0.000 3.037 545 A HA 0.526 4.846 4.320 -0.000 0.000 0.272 545 A C 0.776 178.412 177.584 0.087 0.000 1.723 545 A CA -0.343 51.778 52.037 0.140 0.000 1.413 545 A CB -1.200 17.808 19.000 0.012 0.000 1.112 545 A HN 0.825 nan 8.150 nan 0.000 0.606 546 T N -4.311 110.288 114.554 0.075 0.000 2.901 546 T HA 0.449 4.798 4.350 -0.000 0.000 0.293 546 T C 0.364 174.945 174.700 -0.200 0.000 1.084 546 T CA -0.664 61.420 62.100 -0.027 0.000 1.008 546 T CB 0.770 69.633 68.868 -0.008 0.000 1.170 546 T HN 0.416 nan 8.240 nan 0.000 0.509 547 W N 0.405 121.603 121.300 -0.170 0.000 2.402 547 W HA 0.074 4.733 4.660 -0.000 0.000 0.286 547 W C 1.803 178.075 176.519 -0.411 0.000 1.221 547 W CA 0.762 57.950 57.345 -0.262 0.000 1.257 547 W CB -0.259 29.098 29.460 -0.172 0.000 1.120 547 W HN 0.747 nan 8.180 nan 0.000 0.551 548 D N 0.319 120.535 120.400 -0.306 0.000 2.104 548 D HA -0.183 4.456 4.640 -0.000 0.000 0.194 548 D C 1.326 176.871 176.300 -1.257 0.000 0.994 548 D CA 1.767 55.242 54.000 -0.875 0.000 0.830 548 D CB -0.549 39.622 40.800 -1.048 0.000 0.959 548 D HN 0.155 nan 8.370 nan 0.000 0.452 549 D N -0.286 119.677 120.400 -0.729 0.000 2.144 549 D HA -0.124 4.516 4.640 -0.000 0.000 0.199 549 D C 1.944 178.048 176.300 -0.328 0.000 0.984 549 D CA 0.329 54.165 54.000 -0.273 0.000 0.834 549 D CB -0.082 40.801 40.800 0.138 0.000 0.955 549 D HN 0.069 nan 8.370 nan 0.000 0.465 550 L N 0.933 121.668 121.223 -0.814 0.000 2.012 550 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 550 L C 1.924 178.539 176.870 -0.424 0.000 1.073 550 L CA 1.747 55.901 54.840 -1.142 0.000 0.748 550 L CB -0.249 41.013 42.059 -1.327 0.000 0.891 550 L HN -0.111 nan 8.230 nan 0.000 0.431 551 R N -1.437 118.893 120.500 -0.283 0.000 2.081 551 R HA -0.199 4.141 4.340 -0.000 0.000 0.235 551 R C 2.020 178.445 176.300 0.209 0.000 1.131 551 R CA 1.818 57.895 56.100 -0.037 0.000 0.960 551 R CB -0.614 29.673 30.300 -0.022 0.000 0.856 551 R HN 0.454 nan 8.270 nan 0.000 0.436 552 W N 0.913 122.271 121.300 0.097 0.000 2.525 552 W HA -0.036 4.624 4.660 -0.000 0.000 0.259 552 W C 2.410 179.016 176.519 0.145 0.000 1.253 552 W CA 0.921 58.350 57.345 0.140 0.000 1.262 552 W CB -0.959 28.586 29.460 0.141 0.000 1.122 552 W HN 0.200 nan 8.180 nan 0.000 0.607 553 S N -0.009 115.896 115.700 0.341 0.000 2.383 553 S HA -0.165 4.305 4.470 -0.000 0.000 0.227 553 S C 1.806 176.540 174.600 0.223 0.000 1.026 553 S CA 1.134 59.501 58.200 0.279 0.000 0.981 553 S CB -0.740 62.659 63.200 0.332 0.000 0.818 553 S HN 0.214 nan 8.310 nan 0.000 0.472 554 I N 2.518 123.222 120.570 0.224 0.000 2.142 554 I HA -0.050 4.120 4.170 -0.000 0.000 0.240 554 I C -0.717 175.435 176.117 0.058 0.000 1.078 554 I CA 0.996 62.362 61.300 0.111 0.000 1.343 554 I CB -1.357 36.716 38.000 0.122 0.000 1.046 554 I HN 0.250 nan 8.210 nan 0.000 0.405 555 P HA -0.154 nan 4.420 nan 0.000 0.216 555 P C 1.596 178.992 177.300 0.161 0.000 1.150 555 P CA 1.786 64.987 63.100 0.168 0.000 0.843 555 P CB -0.288 31.576 31.700 0.274 0.000 0.787 556 G N -0.279 108.632 108.800 0.185 0.000 2.446 556 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.217 556 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.217 556 G C 1.630 176.688 174.900 0.263 0.000 1.168 556 G CA 0.850 46.095 45.100 0.242 0.000 0.771 556 G HN 0.163 nan 8.290 nan 0.000 0.551 557 V N 1.004 120.993 119.914 0.125 0.000 2.343 557 V HA -0.120 4.000 4.120 -0.000 0.000 0.247 557 V C 2.930 179.029 176.094 0.009 0.000 1.051 557 V CA 1.452 63.796 62.300 0.073 0.000 1.036 557 V CB -0.467 31.344 31.823 -0.021 0.000 0.654 557 V HN 0.341 nan 8.190 nan 0.000 0.451 558 L N -0.345 120.807 121.223 -0.119 0.000 2.017 558 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 558 L C 2.586 179.369 176.870 -0.145 0.000 1.073 558 L CA 1.840 56.531 54.840 -0.249 0.000 0.745 558 L CB -0.688 40.973 42.059 -0.663 0.000 0.894 558 L HN 0.377 nan 8.230 nan 0.000 0.432 559 E N -0.280 119.887 120.200 -0.055 0.000 2.077 559 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 559 E C 2.073 178.174 176.600 -0.832 0.000 0.989 559 E CA 1.344 57.540 56.400 -0.340 0.000 0.800 559 E CB -0.137 29.461 29.700 -0.170 0.000 0.746 559 E HN 0.336 nan 8.360 nan 0.000 0.452 560 F N 1.273 121.072 119.950 -0.252 0.000 2.293 560 F HA -0.102 4.425 4.527 -0.000 0.000 0.300 560 F C 2.062 177.825 175.800 -0.062 0.000 1.086 560 F CA 0.758 58.733 58.000 -0.041 0.000 1.375 560 F CB -0.070 39.035 39.000 0.175 0.000 1.045 560 F HN 0.040 nan 8.300 nan 0.000 0.516 561 N N 0.434 119.146 118.700 0.020 0.000 2.166 561 N HA -0.145 4.595 4.740 -0.000 0.000 0.186 561 N C 1.999 177.472 175.510 -0.062 0.000 1.019 561 N CA 1.087 54.122 53.050 -0.025 0.000 0.856 561 N CB -0.294 38.157 38.487 -0.061 0.000 0.993 561 N HN 0.302 nan 8.380 nan 0.000 0.426 562 L N 0.154 121.285 121.223 -0.154 0.000 2.079 562 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 562 L C 1.541 178.427 176.870 0.027 0.000 1.081 562 L CA 1.113 55.918 54.840 -0.057 0.000 0.752 562 L CB -0.507 41.497 42.059 -0.091 0.000 0.896 562 L HN 0.093 nan 8.230 nan 0.000 0.433 563 F N 0.162 120.145 119.950 0.054 0.000 2.802 563 F HA 0.184 4.711 4.527 -0.000 0.000 0.300 563 F C 1.852 177.656 175.800 0.007 0.000 1.168 563 F CA 0.320 58.339 58.000 0.031 0.000 1.433 563 F CB -1.161 37.772 39.000 -0.112 0.000 1.115 563 F HN 0.203 nan 8.300 nan 0.000 0.582 564 G N 0.940 109.808 108.800 0.115 0.000 2.137 564 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.237 564 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.237 564 G C 0.264 175.201 174.900 0.061 0.000 1.002 564 G CA 0.089 45.185 45.100 -0.007 0.000 0.702 564 G HN 0.399 nan 8.290 nan 0.000 0.515 565 I N 0.989 121.668 120.570 0.182 0.000 2.859 565 I HA 0.195 4.364 4.170 -0.000 0.000 0.296 565 I C -1.043 175.202 176.117 0.214 0.000 1.300 565 I CA -2.013 59.422 61.300 0.225 0.000 1.020 565 I CB 1.212 39.448 38.000 0.393 0.000 1.823 565 I HN -0.079 nan 8.210 nan 0.000 0.599 566 P HA -0.144 nan 4.420 nan 0.000 0.219 566 P C 0.871 178.316 177.300 0.241 0.000 1.150 566 P CA 0.979 64.140 63.100 0.102 0.000 0.814 566 P CB 0.408 32.053 31.700 -0.092 0.000 0.787 567 M N 1.084 120.900 119.600 0.361 0.000 2.557 567 M HA 0.264 4.744 4.480 -0.000 0.000 0.328 567 M C -0.991 175.421 176.300 0.187 0.000 1.423 567 M CA -0.070 55.431 55.300 0.335 0.000 1.418 567 M CB -0.200 32.510 32.600 0.182 0.000 1.381 567 M HN -0.288 nan 8.290 nan 0.000 0.467 568 V N 4.098 124.159 119.914 0.245 0.000 3.012 568 V HA 1.019 5.139 4.120 -0.000 0.000 0.307 568 V C -0.658 175.564 176.094 0.213 0.000 1.166 568 V CA -0.042 62.358 62.300 0.165 0.000 0.974 568 V CB 2.303 34.201 31.823 0.126 0.000 1.040 568 V HN 0.817 nan 8.190 nan 0.000 0.428 569 G N 5.398 114.294 108.800 0.160 0.000 2.601 569 G HA2 0.700 4.660 3.960 -0.000 0.000 0.291 569 G HA3 0.700 4.660 3.960 -0.000 0.000 0.291 569 G C -3.549 171.290 174.900 -0.100 0.000 1.456 569 G CA -0.666 44.374 45.100 -0.101 0.000 0.804 569 G HN 0.662 nan 8.290 nan 0.000 0.499 570 P HA 0.359 nan 4.420 nan 0.000 0.301 570 P C -1.055 176.242 177.300 -0.005 0.000 1.309 570 P CA -0.489 62.599 63.100 -0.019 0.000 0.782 570 P CB 1.256 33.008 31.700 0.085 0.000 1.282 571 D N 0.342 120.788 120.400 0.076 0.000 2.342 571 D HA 0.214 4.854 4.640 -0.000 0.000 0.260 571 D C 0.487 176.563 176.300 -0.373 0.000 1.278 571 D CA 0.253 54.234 54.000 -0.032 0.000 0.910 571 D CB -0.534 40.367 40.800 0.169 0.000 1.079 571 D HN 0.218 nan 8.370 nan 0.000 0.496 572 I N 1.645 121.973 120.570 -0.403 0.000 2.775 572 I HA -0.173 3.997 4.170 -0.000 0.000 0.290 572 I C 1.076 176.695 176.117 -0.829 0.000 1.203 572 I CA 0.002 60.859 61.300 -0.738 0.000 1.433 572 I CB 0.308 38.186 38.000 -0.203 0.000 1.354 572 I HN 0.617 nan 8.210 nan 0.000 0.579 573 c N 3.771 121.529 118.600 -1.403 0.000 5.716 573 c HA -0.122 4.448 4.570 -0.000 0.000 0.276 573 c C 0.828 174.567 174.090 -0.586 0.000 1.974 573 c CA 0.302 56.254 56.329 -0.629 0.000 1.737 573 c CB -2.418 39.980 42.510 -0.187 0.000 2.710 573 c HN 1.522 nan 8.230 nan 0.000 0.494 574 G N -1.214 107.100 108.800 -0.811 0.000 3.225 574 G HA2 0.113 4.073 3.960 -0.000 0.000 0.686 574 G HA3 0.113 4.073 3.960 -0.000 0.000 0.686 574 G C -0.370 174.473 174.900 -0.094 0.000 1.105 574 G CA 0.073 44.988 45.100 -0.307 0.000 0.831 574 G HN 1.114 nan 8.290 nan 0.000 0.578 575 F N 2.820 122.706 119.950 -0.107 0.000 2.053 575 F HA 0.494 5.021 4.527 -0.000 0.000 0.292 575 F C 1.962 177.681 175.800 -0.134 0.000 1.125 575 F CA 2.132 60.091 58.000 -0.067 0.000 1.193 575 F CB -0.219 38.834 39.000 0.089 0.000 0.996 575 F HN 1.109 nan 8.300 nan 0.000 0.470 576 A N 1.130 123.920 122.820 -0.049 0.000 2.401 576 A HA 0.530 4.850 4.320 -0.000 0.000 0.259 576 A C -0.799 176.348 177.584 -0.728 0.000 1.103 576 A CA -0.288 51.489 52.037 -0.433 0.000 0.789 576 A CB 0.037 19.057 19.000 0.034 0.000 1.035 576 A HN 0.602 nan 8.150 nan 0.000 0.491 577 L N 0.780 121.038 121.223 -1.609 0.000 0.584 577 L HA -0.126 4.214 4.340 -0.000 0.000 0.356 577 L C -0.729 175.816 176.870 -0.543 0.000 1.004 577 L CA 0.094 54.426 54.840 -0.846 0.000 1.223 577 L CB -0.858 41.032 42.059 -0.281 0.000 0.014 577 L HN 0.885 nan 8.230 nan 0.000 0.091 578 D N 0.734 121.045 120.400 -0.148 0.000 2.424 578 D HA 0.327 4.967 4.640 -0.000 0.000 0.244 578 D C 0.344 176.637 176.300 -0.012 0.000 1.134 578 D CA 0.246 54.238 54.000 -0.013 0.000 0.881 578 D CB 0.870 41.701 40.800 0.051 0.000 1.191 578 D HN 0.559 nan 8.370 nan 0.000 0.445 579 T N 1.981 116.554 114.554 0.032 0.000 2.806 579 T HA 0.422 4.772 4.350 -0.000 0.000 0.290 579 T C -2.426 172.358 174.700 0.140 0.000 0.966 579 T CA -1.899 60.246 62.100 0.075 0.000 1.060 579 T CB 0.786 69.711 68.868 0.095 0.000 0.927 579 T HN 0.040 nan 8.240 nan 0.000 0.485 580 P HA 0.161 nan 4.420 nan 0.000 0.271 580 P C 0.851 178.250 177.300 0.165 0.000 1.218 580 P CA -0.337 62.855 63.100 0.153 0.000 0.780 580 P CB 0.568 32.365 31.700 0.162 0.000 0.901 581 E N 2.356 122.677 120.200 0.203 0.000 2.085 581 E HA -0.259 4.091 4.350 -0.000 0.000 0.194 581 E C 1.440 178.037 176.600 -0.005 0.000 0.994 581 E CA 1.606 58.071 56.400 0.108 0.000 0.801 581 E CB 0.028 29.831 29.700 0.172 0.000 0.743 581 E HN 0.562 nan 8.360 nan 0.000 0.453 582 E N 0.032 120.295 120.200 0.106 0.000 2.072 582 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 582 E C 2.417 179.088 176.600 0.120 0.000 0.985 582 E CA 0.779 57.279 56.400 0.167 0.000 0.801 582 E CB -0.108 29.772 29.700 0.301 0.000 0.750 582 E HN 0.195 nan 8.360 nan 0.000 0.452 583 L N 0.985 122.196 121.223 -0.020 0.000 1.994 583 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 583 L C 2.555 179.293 176.870 -0.220 0.000 1.071 583 L CA 1.933 56.431 54.840 -0.569 0.000 0.745 583 L CB -0.985 40.648 42.059 -0.710 0.000 0.892 583 L HN 0.321 nan 8.230 nan 0.000 0.431 584 c N -0.067 118.482 118.600 -0.086 0.000 2.425 584 c HA -0.150 4.419 4.570 -0.000 0.000 0.277 584 c C 3.083 177.105 174.090 -0.114 0.000 1.280 584 c CA 1.134 57.425 56.329 -0.063 0.000 1.744 584 c CB -0.970 41.466 42.510 -0.123 0.000 1.989 584 c HN 0.693 nan 8.230 nan 0.000 0.491 585 R N 0.001 120.402 120.500 -0.165 0.000 2.066 585 R HA -0.078 4.261 4.340 -0.000 0.000 0.232 585 R C 2.441 178.729 176.300 -0.019 0.000 1.131 585 R CA 1.369 57.401 56.100 -0.113 0.000 0.955 585 R CB -0.299 29.945 30.300 -0.093 0.000 0.851 585 R HN 0.336 nan 8.270 nan 0.000 0.432 586 R N -0.043 120.454 120.500 -0.004 0.000 2.096 586 R HA -0.173 4.166 4.340 -0.000 0.000 0.235 586 R C 1.864 178.179 176.300 0.024 0.000 1.127 586 R CA 1.052 57.156 56.100 0.007 0.000 0.968 586 R CB -0.975 29.345 30.300 0.033 0.000 0.861 586 R HN 0.466 nan 8.270 nan 0.000 0.440 587 W N 0.524 121.736 121.300 -0.147 0.000 2.418 587 W HA -0.009 4.651 4.660 -0.000 0.000 0.292 587 W C 1.725 178.220 176.519 -0.041 0.000 1.213 587 W CA 0.680 57.974 57.345 -0.085 0.000 1.283 587 W CB -0.168 29.236 29.460 -0.094 0.000 1.119 587 W HN -0.001 nan 8.180 nan 0.000 0.542 588 M N 0.196 119.902 119.600 0.177 0.000 2.229 588 M HA -0.176 4.304 4.480 -0.000 0.000 0.264 588 M C 1.891 178.214 176.300 0.038 0.000 1.063 588 M CA 1.453 56.793 55.300 0.066 0.000 1.114 588 M CB -1.313 31.270 32.600 -0.027 0.000 1.387 588 M HN 0.130 nan 8.290 nan 0.000 0.420 589 Q N -0.225 119.591 119.800 0.027 0.000 2.050 589 Q HA -0.191 4.148 4.340 -0.000 0.000 0.202 589 Q C 2.064 178.054 176.000 -0.017 0.000 0.980 589 Q CA 1.277 57.045 55.803 -0.059 0.000 0.840 589 Q CB -0.313 28.335 28.738 -0.150 0.000 0.898 589 Q HN 0.324 nan 8.270 nan 0.000 0.424 590 L N 0.262 121.484 121.223 -0.001 0.000 2.093 590 L HA 0.008 4.348 4.340 -0.000 0.000 0.208 590 L C 2.048 178.824 176.870 -0.157 0.000 1.085 590 L CA 2.096 56.920 54.840 -0.027 0.000 0.755 590 L CB -0.874 41.141 42.059 -0.073 0.000 0.904 590 L HN 0.178 nan 8.230 nan 0.000 0.435 591 G N -1.014 107.739 108.800 -0.078 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 1.596 176.517 174.900 0.035 0.000 1.127 591 G CA 0.619 45.704 45.100 -0.025 0.000 0.766 591 G HN 0.619 nan 8.290 nan 0.000 0.552 592 A N -0.007 122.756 122.820 -0.094 0.000 2.076 592 A HA 0.134 4.454 4.320 -0.000 0.000 0.220 592 A C 1.649 178.906 177.584 -0.545 0.000 1.160 592 A CA 1.048 52.877 52.037 -0.346 0.000 0.653 592 A CB -0.380 18.290 19.000 -0.550 0.000 0.801 592 A HN 0.365 nan 8.150 nan 0.000 0.455 593 F N -3.026 117.018 119.950 0.156 0.000 2.688 593 F HA 0.309 4.836 4.527 -0.000 0.000 0.310 593 F C -0.183 176.046 175.800 0.716 0.000 1.098 593 F CA -1.068 57.156 58.000 0.373 0.000 1.228 593 F CB 0.018 38.979 39.000 -0.065 0.000 1.042 593 F HN 0.033 nan 8.300 nan 0.000 0.557 594 Y N 2.013 122.679 120.300 0.610 0.000 2.411 594 Y HA 0.163 4.712 4.550 -0.000 0.000 0.333 594 Y C -1.217 174.940 175.900 0.428 0.000 1.186 594 Y CA -2.796 55.582 58.100 0.463 0.000 1.381 594 Y CB -0.191 38.443 38.460 0.291 0.000 1.273 594 Y HN -0.132 nan 8.280 nan 0.000 0.546 595 P HA -0.197 nan 4.420 nan 0.000 0.215 595 P C -0.038 177.530 177.300 0.447 0.000 1.157 595 P CA 1.349 64.693 63.100 0.408 0.000 0.868 595 P CB 0.137 32.040 31.700 0.338 0.000 0.788 596 F N 0.372 120.458 119.950 0.227 0.000 2.404 596 F HA 0.472 4.998 4.527 -0.000 0.000 0.358 596 F C 0.086 175.979 175.800 0.156 0.000 1.120 596 F CA -1.365 56.696 58.000 0.102 0.000 1.144 596 F CB 0.508 39.519 39.000 0.018 0.000 1.133 596 F HN -0.298 nan 8.300 nan 0.000 0.495 597 S N 7.844 123.395 115.700 -0.248 0.000 2.577 597 S HA 0.516 4.986 4.470 -0.000 0.000 0.294 597 S C -0.704 173.631 174.600 -0.442 0.000 1.161 597 S CA -0.632 57.521 58.200 -0.079 0.000 1.143 597 S CB -0.024 63.352 63.200 0.294 0.000 0.991 597 S HN 0.852 nan 8.310 nan 0.000 0.475 598 R N 3.953 124.044 120.500 -0.681 0.000 2.538 598 R HA 0.346 4.686 4.340 -0.000 0.000 0.292 598 R C -1.363 174.696 176.300 -0.400 0.000 1.008 598 R CA -0.629 55.007 56.100 -0.774 0.000 0.896 598 R CB 0.865 30.468 30.300 -1.161 0.000 1.187 598 R HN 0.554 nan 8.270 nan 0.000 0.440 599 N N 2.995 121.503 118.700 -0.320 0.000 2.420 599 N HA 0.092 4.832 4.740 -0.000 0.000 0.249 599 N C -1.587 173.872 175.510 -0.084 0.000 1.033 599 N CA 0.032 53.017 53.050 -0.107 0.000 0.944 599 N CB 0.756 39.306 38.487 0.105 0.000 1.113 599 N HN 0.615 nan 8.380 nan 0.000 0.502 600 H N 2.371 121.344 119.070 -0.161 0.000 2.768 600 H HA 0.557 5.113 4.556 -0.000 0.000 0.371 600 H C -1.315 174.052 175.328 0.064 0.000 1.151 600 H CA -0.709 55.302 56.048 -0.061 0.000 1.165 600 H CB 1.144 30.840 29.762 -0.110 0.000 1.722 600 H HN 0.548 nan 8.280 nan 0.000 0.543 601 N N 1.643 120.135 118.700 -0.345 0.000 2.277 601 N HA 0.439 5.179 4.740 -0.000 0.000 0.286 601 N C -0.354 174.857 175.510 -0.498 0.000 1.140 601 N CA -0.005 52.864 53.050 -0.301 0.000 0.799 601 N CB 2.219 40.609 38.487 -0.161 0.000 1.596 601 N HN 0.857 nan 8.380 nan 0.000 0.473 602 G N 0.190 108.569 108.800 -0.702 0.000 2.621 602 G HA2 0.197 4.157 3.960 -0.000 0.000 0.271 602 G HA3 0.197 4.157 3.960 -0.000 0.000 0.271 602 G C -0.602 174.097 174.900 -0.336 0.000 1.236 602 G CA -0.334 44.232 45.100 -0.890 0.000 0.958 602 G HN 0.657 nan 8.290 nan 0.000 0.512 603 Q N -0.601 118.894 119.800 -0.509 0.000 2.313 603 Q HA 0.407 4.747 4.340 -0.000 0.000 0.266 603 Q C 1.220 176.729 176.000 -0.819 0.000 0.989 603 Q CA 0.842 56.191 55.803 -0.758 0.000 0.890 603 Q CB 0.378 28.454 28.738 -1.102 0.000 1.200 603 Q HN 1.205 nan 8.270 nan 0.000 0.396 604 G N 2.742 111.179 108.800 -0.606 0.000 2.241 604 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.244 604 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.244 604 G C -0.567 174.040 174.900 -0.490 0.000 0.998 604 G CA 0.218 44.991 45.100 -0.544 0.000 0.621 604 G HN 0.626 nan 8.290 nan 0.000 0.519 605 Y N 1.723 121.906 120.300 -0.194 0.000 2.299 605 Y HA 0.479 5.028 4.550 -0.000 0.000 0.335 605 Y C 1.252 177.069 175.900 -0.138 0.000 1.287 605 Y CA -0.260 57.748 58.100 -0.153 0.000 1.424 605 Y CB 0.492 38.849 38.460 -0.172 0.000 1.326 605 Y HN 0.399 nan 8.280 nan 0.000 0.567 606 K N 1.089 121.526 120.400 0.062 0.000 2.355 606 K HA 0.032 4.352 4.320 -0.000 0.000 0.270 606 K C -0.882 175.685 176.600 -0.056 0.000 1.003 606 K CA -0.726 55.545 56.287 -0.026 0.000 0.957 606 K CB 0.383 32.858 32.500 -0.040 0.000 0.939 606 K HN 0.490 nan 8.250 nan 0.000 0.482 607 D N 2.323 122.665 120.400 -0.097 0.000 2.548 607 D HA -0.128 4.512 4.640 -0.000 0.000 0.231 607 D C 0.492 176.708 176.300 -0.140 0.000 1.142 607 D CA 0.747 54.685 54.000 -0.103 0.000 0.866 607 D CB 0.649 41.384 40.800 -0.107 0.000 1.190 607 D HN 0.694 nan 8.370 nan 0.000 0.469 608 Q N 0.240 120.022 119.800 -0.029 0.000 2.064 608 Q HA 0.056 4.395 4.340 -0.000 0.000 0.213 608 Q C -0.552 175.595 176.000 0.245 0.000 0.779 608 Q CA -0.582 55.298 55.803 0.128 0.000 1.032 608 Q CB 0.308 29.133 28.738 0.144 0.000 1.203 608 Q HN 0.494 nan 8.270 nan 0.000 0.457 609 D N 1.240 121.728 120.400 0.147 0.000 2.443 609 D HA 0.016 4.655 4.640 -0.000 0.000 0.239 609 D C -1.782 174.665 176.300 0.245 0.000 1.136 609 D CA -1.110 52.991 54.000 0.168 0.000 0.879 609 D CB 1.444 42.318 40.800 0.123 0.000 1.195 609 D HN -0.144 nan 8.370 nan 0.000 0.443 610 P HA -0.181 nan 4.420 nan 0.000 0.216 610 P C 1.252 178.690 177.300 0.230 0.000 1.154 610 P CA 2.290 65.502 63.100 0.187 0.000 0.865 610 P CB 0.025 31.730 31.700 0.009 0.000 0.789 611 A N -0.425 122.475 122.820 0.134 0.000 2.119 611 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 611 A C 2.208 179.852 177.584 0.100 0.000 1.152 611 A CA 1.404 53.505 52.037 0.106 0.000 0.708 611 A CB -1.422 17.618 19.000 0.066 0.000 0.805 611 A HN 0.306 nan 8.150 nan 0.000 0.460 612 S N -1.003 114.743 115.700 0.076 0.000 2.469 612 S HA -0.083 4.387 4.470 -0.000 0.000 0.238 612 S C 1.253 175.755 174.600 -0.163 0.000 0.998 612 S CA 0.977 59.136 58.200 -0.067 0.000 0.957 612 S CB -0.766 62.336 63.200 -0.165 0.000 0.764 612 S HN 0.417 nan 8.310 nan 0.000 0.514 613 F N 2.278 122.238 119.950 0.017 0.000 2.789 613 F HA 0.424 4.951 4.527 -0.000 0.000 0.300 613 F C 1.490 177.299 175.800 0.016 0.000 1.132 613 F CA 0.470 58.480 58.000 0.017 0.000 1.404 613 F CB 0.094 39.105 39.000 0.018 0.000 1.114 613 F HN 0.491 nan 8.300 nan 0.000 0.584 614 G N -0.271 108.614 108.800 0.142 0.000 2.931 614 G HA2 0.190 4.150 3.960 -0.000 0.000 0.675 614 G HA3 0.190 4.150 3.960 -0.000 0.000 0.675 614 G C 0.466 175.413 174.900 0.078 0.000 1.339 614 G CA -0.734 44.420 45.100 0.090 0.000 0.866 614 G HN 0.257 nan 8.290 nan 0.000 0.616 615 A N 0.830 123.681 122.820 0.052 0.000 2.032 615 A HA 0.043 4.362 4.320 -0.000 0.000 0.221 615 A C 1.494 179.099 177.584 0.034 0.000 1.165 615 A CA 2.360 54.421 52.037 0.040 0.000 0.645 615 A CB 0.016 19.034 19.000 0.030 0.000 0.807 615 A HN 0.646 nan 8.150 nan 0.000 0.453 616 D N -0.514 119.907 120.400 0.036 0.000 2.650 616 D HA 0.148 4.788 4.640 -0.000 0.000 0.265 616 D C -0.101 176.218 176.300 0.032 0.000 1.339 616 D CA 0.360 54.376 54.000 0.027 0.000 0.816 616 D CB 0.366 41.177 40.800 0.018 0.000 1.091 616 D HN 0.479 nan 8.370 nan 0.000 0.483 617 S N -0.071 115.659 115.700 0.050 0.000 2.593 617 S HA 0.084 4.554 4.470 -0.000 0.000 0.269 617 S C 1.365 175.983 174.600 0.029 0.000 1.334 617 S CA -0.622 57.613 58.200 0.058 0.000 1.015 617 S CB 1.945 65.212 63.200 0.110 0.000 0.912 617 S HN 0.085 nan 8.310 nan 0.000 0.541 618 L N 1.801 123.035 121.223 0.019 0.000 2.083 618 L HA 0.017 4.357 4.340 -0.000 0.000 0.209 618 L C 2.132 178.992 176.870 -0.016 0.000 1.083 618 L CA 1.531 56.371 54.840 0.001 0.000 0.752 618 L CB -0.894 41.167 42.059 0.004 0.000 0.899 618 L HN 0.912 nan 8.230 nan 0.000 0.433 619 L N -1.476 119.718 121.223 -0.048 0.000 1.994 619 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 619 L C 2.439 179.266 176.870 -0.072 0.000 1.071 619 L CA 1.691 56.457 54.840 -0.123 0.000 0.745 619 L CB -0.358 41.490 42.059 -0.351 0.000 0.892 619 L HN 0.396 nan 8.230 nan 0.000 0.431 620 L N 0.488 121.699 121.223 -0.020 0.000 2.017 620 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 620 L C 2.222 179.083 176.870 -0.014 0.000 1.073 620 L CA 1.866 56.705 54.840 -0.002 0.000 0.745 620 L CB -0.992 41.092 42.059 0.041 0.000 0.894 620 L HN 0.333 nan 8.230 nan 0.000 0.432 621 N N -0.824 117.872 118.700 -0.007 0.000 2.104 621 N HA -0.189 4.551 4.740 -0.000 0.000 0.190 621 N C 2.079 177.588 175.510 -0.002 0.000 1.024 621 N CA 1.545 54.588 53.050 -0.011 0.000 0.853 621 N CB -0.589 37.886 38.487 -0.020 0.000 1.008 621 N HN 0.424 nan 8.380 nan 0.000 0.424 622 S N -0.021 115.687 115.700 0.013 0.000 2.368 622 S HA -0.010 4.459 4.470 -0.000 0.000 0.224 622 S C 2.068 176.752 174.600 0.139 0.000 1.029 622 S CA 1.091 59.343 58.200 0.087 0.000 0.988 622 S CB -0.205 63.064 63.200 0.115 0.000 0.838 622 S HN 0.260 nan 8.310 nan 0.000 0.462 623 S N 1.109 116.830 115.700 0.036 0.000 2.353 623 S HA -0.106 4.364 4.470 -0.000 0.000 0.222 623 S C 1.934 176.480 174.600 -0.090 0.000 1.035 623 S CA 1.348 59.524 58.200 -0.041 0.000 1.025 623 S CB -0.434 62.690 63.200 -0.126 0.000 0.902 623 S HN 0.530 nan 8.310 nan 0.000 0.440 624 R N 0.363 120.810 120.500 -0.087 0.000 2.083 624 R HA -0.178 4.162 4.340 -0.000 0.000 0.237 624 R C 2.401 178.643 176.300 -0.097 0.000 1.137 624 R CA 1.680 57.715 56.100 -0.108 0.000 0.951 624 R CB -0.489 29.769 30.300 -0.069 0.000 0.851 624 R HN 0.571 nan 8.270 nan 0.000 0.434 625 H N -0.773 118.198 119.070 -0.166 0.000 2.290 625 H HA -0.206 4.349 4.556 -0.000 0.000 0.298 625 H C 1.524 176.664 175.328 -0.313 0.000 1.087 625 H CA 2.369 58.255 56.048 -0.270 0.000 1.291 625 H CB -0.178 29.343 29.762 -0.402 0.000 1.369 625 H HN 0.348 nan 8.280 nan 0.000 0.492 626 Y N 0.206 120.475 120.300 -0.052 0.000 2.337 626 Y HA -0.055 4.494 4.550 -0.000 0.000 0.293 626 Y C 2.896 178.655 175.900 -0.235 0.000 1.123 626 Y CA 0.217 58.260 58.100 -0.096 0.000 1.201 626 Y CB 0.095 38.587 38.460 0.053 0.000 1.011 626 Y HN 0.105 nan 8.280 nan 0.000 0.545 627 L N -0.234 120.920 121.223 -0.116 0.000 2.141 627 L HA -0.237 4.103 4.340 -0.000 0.000 0.209 627 L C 1.596 178.385 176.870 -0.136 0.000 1.094 627 L CA 1.463 56.198 54.840 -0.174 0.000 0.763 627 L CB -0.474 41.400 42.059 -0.308 0.000 0.908 627 L HN 0.316 nan 8.230 nan 0.000 0.437 628 N N -0.103 118.493 118.700 -0.174 0.000 2.244 628 N HA -0.126 4.614 4.740 -0.000 0.000 0.183 628 N C 1.868 177.371 175.510 -0.011 0.000 1.016 628 N CA 0.862 53.845 53.050 -0.113 0.000 0.866 628 N CB 0.047 38.450 38.487 -0.141 0.000 0.980 628 N HN 0.253 nan 8.380 nan 0.000 0.430 629 I N 0.656 121.179 120.570 -0.080 0.000 2.252 629 I HA -0.229 3.940 4.170 -0.000 0.000 0.245 629 I C 2.569 178.735 176.117 0.081 0.000 1.102 629 I CA 0.769 62.066 61.300 -0.006 0.000 1.385 629 I CB -0.205 37.758 38.000 -0.060 0.000 1.064 629 I HN 0.154 nan 8.210 nan 0.000 0.414 630 R N 0.548 121.058 120.500 0.016 0.000 2.083 630 R HA -0.244 4.096 4.340 -0.000 0.000 0.237 630 R C 2.433 178.950 176.300 0.362 0.000 1.137 630 R CA 2.029 58.207 56.100 0.131 0.000 0.951 630 R CB -0.445 29.860 30.300 0.009 0.000 0.851 630 R HN 0.222 nan 8.270 nan 0.000 0.434 631 Y N 0.873 121.241 120.300 0.114 0.000 2.224 631 Y HA -0.112 4.438 4.550 -0.000 0.000 0.289 631 Y C 2.587 178.613 175.900 0.210 0.000 1.146 631 Y CA 1.729 59.923 58.100 0.157 0.000 1.182 631 Y CB -0.605 37.925 38.460 0.118 0.000 0.983 631 Y HN 0.126 nan 8.280 nan 0.000 0.524 632 T N 0.020 114.775 114.554 0.335 0.000 2.833 632 T HA -0.127 4.223 4.350 -0.000 0.000 0.269 632 T C 1.648 176.564 174.700 0.359 0.000 1.054 632 T CA 1.126 63.405 62.100 0.298 0.000 1.135 632 T CB -0.354 68.667 68.868 0.255 0.000 0.869 632 T HN 0.224 nan 8.240 nan 0.000 0.466 633 L N 0.476 121.946 121.223 0.412 0.000 2.628 633 L HA 0.315 4.655 4.340 -0.000 0.000 0.229 633 L C 1.760 179.000 176.870 0.615 0.000 1.137 633 L CA -0.068 55.106 54.840 0.556 0.000 0.909 633 L CB -0.184 42.246 42.059 0.619 0.000 1.137 633 L HN 0.231 nan 8.230 nan 0.000 0.470 634 L N 0.548 122.033 121.223 0.438 0.000 2.079 634 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 634 L C -0.229 176.898 176.870 0.429 0.000 1.081 634 L CA 1.489 56.496 54.840 0.278 0.000 0.752 634 L CB -1.373 40.677 42.059 -0.014 0.000 0.896 634 L HN 0.261 nan 8.230 nan 0.000 0.433 635 P HA -0.238 nan 4.420 nan 0.000 0.216 635 P C 1.278 179.002 177.300 0.708 0.000 1.150 635 P CA 1.390 64.942 63.100 0.753 0.000 0.837 635 P CB -0.065 32.030 31.700 0.658 0.000 0.786 636 Y N 0.261 120.884 120.300 0.538 0.000 2.163 636 Y HA -0.138 4.411 4.550 -0.000 0.000 0.288 636 Y C 2.107 178.250 175.900 0.405 0.000 1.136 636 Y CA 1.104 59.508 58.100 0.508 0.000 1.147 636 Y CB -1.161 37.663 38.460 0.606 0.000 0.987 636 Y HN -0.229 nan 8.280 nan 0.000 0.509 637 L N -0.486 120.876 121.223 0.232 0.000 2.012 637 L HA -0.222 4.117 4.340 -0.000 0.000 0.210 637 L C 2.230 179.201 176.870 0.169 0.000 1.073 637 L CA 2.017 56.793 54.840 -0.106 0.000 0.748 637 L CB -1.460 40.462 42.059 -0.228 0.000 0.891 637 L HN 0.397 nan 8.230 nan 0.000 0.431 638 Y N 0.181 120.582 120.300 0.168 0.000 2.181 638 Y HA -0.249 4.301 4.550 -0.000 0.000 0.288 638 Y C 2.482 178.568 175.900 0.311 0.000 1.146 638 Y CA 2.154 60.401 58.100 0.246 0.000 1.164 638 Y CB -0.850 37.799 38.460 0.315 0.000 0.982 638 Y HN 0.254 nan 8.280 nan 0.000 0.515 639 T N 1.191 115.952 114.554 0.344 0.000 2.746 639 T HA -0.193 4.157 4.350 -0.000 0.000 0.267 639 T C 2.142 176.899 174.700 0.095 0.000 1.039 639 T CA 1.681 63.940 62.100 0.265 0.000 1.142 639 T CB -0.582 68.526 68.868 0.401 0.000 0.866 639 T HN 0.301 nan 8.240 nan 0.000 0.444 640 L N -0.327 120.859 121.223 -0.062 0.000 2.042 640 L HA -0.097 4.243 4.340 -0.000 0.000 0.210 640 L C 2.344 179.054 176.870 -0.266 0.000 1.076 640 L CA 1.535 56.237 54.840 -0.229 0.000 0.749 640 L CB -0.692 41.107 42.059 -0.433 0.000 0.893 640 L HN 0.209 nan 8.230 nan 0.000 0.432 641 F N -0.827 119.009 119.950 -0.189 0.000 2.171 641 F HA -0.248 4.279 4.527 -0.000 0.000 0.300 641 F C 2.352 177.990 175.800 -0.270 0.000 1.090 641 F CA 1.425 59.301 58.000 -0.207 0.000 1.293 641 F CB -0.577 38.317 39.000 -0.177 0.000 1.013 641 F HN -0.009 nan 8.300 nan 0.000 0.486 642 F N 1.204 120.928 119.950 -0.377 0.000 2.095 642 F HA -0.203 4.324 4.527 -0.000 0.000 0.298 642 F C 2.394 177.960 175.800 -0.389 0.000 1.104 642 F CA 1.572 59.179 58.000 -0.655 0.000 1.232 642 F CB -0.364 37.914 39.000 -1.203 0.000 0.987 642 F HN -0.267 nan 8.300 nan 0.000 0.475 643 R N 0.840 121.033 120.500 -0.510 0.000 2.092 643 R HA -0.013 4.326 4.340 -0.000 0.000 0.231 643 R C 2.452 178.509 176.300 -0.405 0.000 1.119 643 R CA 1.169 56.956 56.100 -0.522 0.000 0.970 643 R CB -1.669 28.486 30.300 -0.242 0.000 0.864 643 R HN 0.447 nan 8.270 nan 0.000 0.440 644 A N 0.354 122.992 122.820 -0.303 0.000 1.877 644 A HA -0.236 4.084 4.320 -0.000 0.000 0.216 644 A C 2.115 179.563 177.584 -0.226 0.000 1.186 644 A CA 1.985 53.878 52.037 -0.239 0.000 0.620 644 A CB -0.739 18.132 19.000 -0.214 0.000 0.822 644 A HN 0.471 nan 8.150 nan 0.000 0.443 645 H N 0.665 119.547 119.070 -0.314 0.000 2.357 645 H HA -0.075 4.481 4.556 -0.000 0.000 0.301 645 H C 2.273 177.383 175.328 -0.364 0.000 1.082 645 H CA 2.363 58.228 56.048 -0.305 0.000 1.342 645 H CB -0.057 29.544 29.762 -0.268 0.000 1.389 645 H HN 0.515 nan 8.280 nan 0.000 0.511 646 S N -1.291 114.000 115.700 -0.681 0.000 2.470 646 S HA 0.055 4.525 4.470 -0.000 0.000 0.222 646 S C 2.121 176.433 174.600 -0.481 0.000 1.024 646 S CA 0.521 58.307 58.200 -0.689 0.000 0.931 646 S CB 0.318 62.970 63.200 -0.913 0.000 0.791 646 S HN 0.453 nan 8.310 nan 0.000 0.513 647 R N 0.248 120.489 120.500 -0.432 0.000 2.412 647 R HA 0.356 4.696 4.340 -0.000 0.000 0.212 647 R C 1.109 177.262 176.300 -0.244 0.000 0.878 647 R CA 0.816 56.740 56.100 -0.293 0.000 1.022 647 R CB 0.466 30.608 30.300 -0.263 0.000 1.265 647 R HN 0.527 nan 8.270 nan 0.000 0.620 648 G N 1.650 110.291 108.800 -0.265 0.000 2.134 648 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.209 648 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.209 648 G C -0.852 173.944 174.900 -0.173 0.000 0.993 648 G CA 0.123 45.086 45.100 -0.228 0.000 0.669 648 G HN 0.380 nan 8.290 nan 0.000 0.519 649 D N 1.552 121.854 120.400 -0.163 0.000 2.400 649 D HA 0.452 5.092 4.640 -0.000 0.000 0.238 649 D C 1.510 177.739 176.300 -0.119 0.000 1.157 649 D CA 0.997 54.931 54.000 -0.110 0.000 0.889 649 D CB 0.643 41.377 40.800 -0.110 0.000 1.199 649 D HN 0.476 nan 8.370 nan 0.000 0.436 650 T N -1.977 112.540 114.554 -0.063 0.000 2.813 650 T HA 0.282 4.632 4.350 -0.000 0.000 0.297 650 T C 1.018 175.617 174.700 -0.168 0.000 1.036 650 T CA -0.785 61.259 62.100 -0.093 0.000 1.044 650 T CB 0.824 69.668 68.868 -0.039 0.000 0.993 650 T HN 0.076 nan 8.240 nan 0.000 0.535 651 V N 0.468 120.237 119.914 -0.242 0.000 2.735 651 V HA 0.411 4.531 4.120 -0.000 0.000 0.234 651 V C 1.584 177.588 176.094 -0.149 0.000 1.121 651 V CA 0.573 62.657 62.300 -0.360 0.000 1.160 651 V CB -0.780 30.575 31.823 -0.779 0.000 0.908 651 V HN 1.152 nan 8.190 nan 0.000 0.495 652 A N 1.566 124.354 122.820 -0.055 0.000 2.354 652 A HA 0.596 4.916 4.320 -0.000 0.000 0.281 652 A C 0.119 177.745 177.584 0.069 0.000 1.174 652 A CA 0.108 52.250 52.037 0.175 0.000 0.828 652 A CB -0.042 19.026 19.000 0.113 0.000 1.099 652 A HN 0.447 nan 8.150 nan 0.000 0.516 653 R N 3.445 124.044 120.500 0.165 0.000 2.561 653 R HA 0.538 4.878 4.340 -0.000 0.000 0.297 653 R C -3.093 173.208 176.300 0.001 0.000 0.969 653 R CA -1.956 54.143 56.100 -0.001 0.000 0.879 653 R CB 1.996 32.342 30.300 0.078 0.000 1.178 653 R HN 0.401 nan 8.270 nan 0.000 0.445 654 P HA 0.029 nan 4.420 nan 0.000 0.271 654 P C 0.382 177.753 177.300 0.117 0.000 1.218 654 P CA -0.353 62.675 63.100 -0.119 0.000 0.780 654 P CB 0.635 32.180 31.700 -0.259 0.000 0.901 655 L N 2.333 123.697 121.223 0.235 0.000 2.129 655 L HA -0.206 4.133 4.340 -0.000 0.000 0.212 655 L C 2.056 179.202 176.870 0.459 0.000 1.087 655 L CA 1.888 56.974 54.840 0.409 0.000 0.757 655 L CB -1.519 40.774 42.059 0.390 0.000 0.896 655 L HN 0.445 nan 8.230 nan 0.000 0.434 656 L N -3.947 117.513 121.223 0.395 0.000 2.275 656 L HA -0.101 4.238 4.340 -0.000 0.000 0.215 656 L C 2.243 179.407 176.870 0.490 0.000 1.119 656 L CA 1.534 56.655 54.840 0.468 0.000 0.790 656 L CB -1.126 41.184 42.059 0.419 0.000 0.919 656 L HN 0.288 nan 8.230 nan 0.000 0.443 657 H N -0.257 118.939 119.070 0.209 0.000 2.462 657 H HA 0.031 4.586 4.556 -0.000 0.000 0.292 657 H C 1.354 176.804 175.328 0.203 0.000 1.049 657 H CA 1.076 57.247 56.048 0.206 0.000 1.334 657 H CB 0.521 30.348 29.762 0.108 0.000 1.404 657 H HN 0.477 nan 8.280 nan 0.000 0.544 658 E N 0.117 120.382 120.200 0.108 0.000 2.307 658 E HA 0.011 4.361 4.350 -0.000 0.000 0.195 658 E C 0.167 176.342 176.600 -0.708 0.000 0.975 658 E CA 0.355 56.536 56.400 -0.366 0.000 0.878 658 E CB 0.362 29.645 29.700 -0.696 0.000 0.845 658 E HN 0.341 nan 8.360 nan 0.000 0.488 659 F N 0.449 120.417 119.950 0.031 0.000 2.850 659 F HA 0.125 4.652 4.527 -0.000 0.000 0.329 659 F C 0.915 176.746 175.800 0.052 0.000 1.182 659 F CA -0.927 57.065 58.000 -0.013 0.000 1.270 659 F CB -0.448 38.657 39.000 0.174 0.000 0.979 659 F HN -0.037 nan 8.300 nan 0.000 0.506 660 Y N -0.813 119.733 120.300 0.409 0.000 2.384 660 Y HA -0.127 4.423 4.550 -0.000 0.000 0.289 660 Y C 1.642 177.885 175.900 0.573 0.000 1.152 660 Y CA 0.827 59.227 58.100 0.501 0.000 1.258 660 Y CB -1.213 37.407 38.460 0.266 0.000 0.979 660 Y HN 0.213 nan 8.280 nan 0.000 0.549 661 E N 0.155 120.557 120.200 0.337 0.000 2.265 661 E HA -0.165 4.185 4.350 -0.000 0.000 0.196 661 E C 0.055 176.802 176.600 0.244 0.000 0.996 661 E CA 1.014 57.618 56.400 0.339 0.000 0.832 661 E CB -0.092 29.723 29.700 0.193 0.000 0.756 661 E HN 0.393 nan 8.360 nan 0.000 0.491 662 D N 0.776 121.301 120.400 0.208 0.000 2.412 662 D HA -0.016 4.624 4.640 -0.000 0.000 0.224 662 D C 0.609 176.741 176.300 -0.280 0.000 1.093 662 D CA -0.405 53.614 54.000 0.031 0.000 0.850 662 D CB 0.456 41.336 40.800 0.133 0.000 1.046 662 D HN -0.064 nan 8.370 nan 0.000 0.507 663 N N 1.825 120.112 118.700 -0.689 0.000 2.519 663 N HA -0.156 4.584 4.740 -0.000 0.000 0.186 663 N C 0.754 175.726 175.510 -0.898 0.000 1.062 663 N CA 0.631 52.722 53.050 -1.598 0.000 0.910 663 N CB -0.175 37.315 38.487 -1.661 0.000 0.958 663 N HN 0.101 nan 8.380 nan 0.000 0.445 664 S N -0.783 114.584 115.700 -0.555 0.000 2.515 664 S HA -0.071 4.398 4.470 -0.000 0.000 0.231 664 S C 1.613 175.863 174.600 -0.583 0.000 0.987 664 S CA 1.210 59.067 58.200 -0.572 0.000 0.936 664 S CB -0.533 62.222 63.200 -0.741 0.000 0.766 664 S HN 0.808 nan 8.310 nan 0.000 0.528 665 T N -2.277 112.093 114.554 -0.306 0.000 3.067 665 T HA 0.018 4.368 4.350 -0.000 0.000 0.257 665 T C 1.202 176.092 174.700 0.316 0.000 1.105 665 T CA -0.067 62.050 62.100 0.028 0.000 1.104 665 T CB -0.309 68.723 68.868 0.273 0.000 0.925 665 T HN 0.376 nan 8.240 nan 0.000 0.498 666 W N 3.491 124.861 121.300 0.117 0.000 2.392 666 W HA 0.117 4.777 4.660 -0.000 0.000 0.279 666 W C 1.486 178.176 176.519 0.284 0.000 1.225 666 W CA 0.871 58.352 57.345 0.227 0.000 1.233 666 W CB -0.505 29.073 29.460 0.197 0.000 1.122 666 W HN 0.605 nan 8.180 nan 0.000 0.561 667 D N -1.353 119.289 120.400 0.404 0.000 2.469 667 D HA 0.036 4.676 4.640 -0.000 0.000 0.215 667 D C 0.180 176.708 176.300 0.379 0.000 1.154 667 D CA 0.073 54.285 54.000 0.353 0.000 0.832 667 D CB -0.608 40.334 40.800 0.237 0.000 1.008 667 D HN -0.223 nan 8.370 nan 0.000 0.506 668 V N 2.213 122.304 119.914 0.295 0.000 2.485 668 V HA 0.070 4.190 4.120 -0.000 0.000 0.287 668 V C 0.800 177.086 176.094 0.320 0.000 1.022 668 V CA 0.517 62.953 62.300 0.227 0.000 1.067 668 V CB 0.173 32.078 31.823 0.136 0.000 0.967 668 V HN 0.512 nan 8.190 nan 0.000 0.479 669 H N 1.406 120.574 119.070 0.164 0.000 3.540 669 H HA 0.314 4.870 4.556 -0.000 0.000 0.259 669 H C 1.016 176.426 175.328 0.136 0.000 1.197 669 H CA -0.279 55.862 56.048 0.154 0.000 1.136 669 H CB 0.223 30.117 29.762 0.221 0.000 1.605 669 H HN 0.505 nan 8.280 nan 0.000 0.657 670 Q N 0.600 120.293 119.800 -0.179 0.000 2.282 670 Q HA 0.241 4.581 4.340 -0.000 0.000 0.206 670 Q C -0.296 175.715 176.000 0.018 0.000 0.878 670 Q CA 0.192 55.930 55.803 -0.108 0.000 0.944 670 Q CB 0.971 29.590 28.738 -0.198 0.000 1.100 670 Q HN 0.560 nan 8.270 nan 0.000 0.509 671 Q N -0.196 119.649 119.800 0.074 0.000 2.495 671 Q HA 0.624 4.963 4.340 -0.000 0.000 0.287 671 Q C -1.124 175.036 176.000 0.267 0.000 1.078 671 Q CA -0.781 55.074 55.803 0.086 0.000 0.793 671 Q CB 2.206 30.927 28.738 -0.028 0.000 1.459 671 Q HN 0.089 nan 8.270 nan 0.000 0.422 672 F N -1.785 118.161 119.950 -0.007 0.000 2.779 672 F HA 0.712 5.239 4.527 -0.000 0.000 0.316 672 F C -2.160 173.691 175.800 0.085 0.000 1.164 672 F CA -1.324 56.700 58.000 0.040 0.000 0.924 672 F CB 1.025 40.054 39.000 0.049 0.000 1.348 672 F HN 0.324 nan 8.300 nan 0.000 0.467 673 L N 0.981 122.345 121.223 0.235 0.000 2.334 673 L HA 0.396 4.736 4.340 -0.000 0.000 0.273 673 L C -1.416 175.730 176.870 0.460 0.000 1.013 673 L CA -0.680 54.291 54.840 0.218 0.000 0.816 673 L CB 1.589 43.822 42.059 0.290 0.000 1.278 673 L HN 0.575 nan 8.230 nan 0.000 0.431 674 W N 2.737 124.142 121.300 0.175 0.000 2.416 674 W HA 0.508 5.168 4.660 -0.000 0.000 0.318 674 W C 0.909 177.577 176.519 0.249 0.000 1.150 674 W CA 0.170 57.668 57.345 0.255 0.000 1.392 674 W CB 0.049 29.733 29.460 0.373 0.000 1.311 674 W HN 0.795 nan 8.180 nan 0.000 0.436 675 G N 5.556 114.507 108.800 0.253 0.000 2.564 675 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.273 675 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.273 675 G C -1.366 173.660 174.900 0.211 0.000 1.242 675 G CA 0.074 45.268 45.100 0.157 0.000 0.951 675 G HN 0.308 nan 8.290 nan 0.000 0.564 676 P HA 0.128 nan 4.420 nan 0.000 0.227 676 P C 1.404 178.617 177.300 -0.145 0.000 1.161 676 P CA 2.182 65.249 63.100 -0.055 0.000 0.788 676 P CB -0.029 31.570 31.700 -0.168 0.000 0.822 677 G N -0.912 107.951 108.800 0.104 0.000 2.944 677 G HA2 0.266 4.226 3.960 -0.000 0.000 0.220 677 G HA3 0.266 4.226 3.960 -0.000 0.000 0.220 677 G C -0.096 175.150 174.900 0.577 0.000 1.100 677 G CA 0.169 45.393 45.100 0.207 0.000 0.780 677 G HN 0.224 nan 8.290 nan 0.000 0.539 678 L N 1.079 122.615 121.223 0.523 0.000 2.372 678 L HA 0.737 5.077 4.340 -0.000 0.000 0.274 678 L C -1.429 175.525 176.870 0.139 0.000 0.988 678 L CA -1.152 53.866 54.840 0.297 0.000 0.833 678 L CB 2.008 44.195 42.059 0.212 0.000 1.236 678 L HN -0.087 nan 8.230 nan 0.000 0.410 679 L N 6.380 127.628 121.223 0.041 0.000 2.282 679 L HA 0.650 4.990 4.340 -0.000 0.000 0.288 679 L C -1.031 175.610 176.870 -0.383 0.000 1.033 679 L CA 0.105 54.829 54.840 -0.194 0.000 0.807 679 L CB 1.086 42.849 42.059 -0.493 0.000 1.209 679 L HN 0.610 nan 8.230 nan 0.000 0.423 680 I N 4.324 124.558 120.570 -0.560 0.000 2.378 680 I HA 0.418 4.587 4.170 -0.000 0.000 0.291 680 I C -0.268 175.560 176.117 -0.482 0.000 0.992 680 I CA -0.040 60.830 61.300 -0.716 0.000 1.154 680 I CB 1.890 39.203 38.000 -1.146 0.000 1.315 680 I HN 0.543 nan 8.210 nan 0.000 0.448 681 T N 6.869 121.205 114.554 -0.363 0.000 3.141 681 T HA 0.345 4.695 4.350 -0.000 0.000 0.377 681 T C -2.604 171.980 174.700 -0.193 0.000 1.258 681 T CA -1.186 60.776 62.100 -0.231 0.000 1.263 681 T CB 0.768 69.518 68.868 -0.197 0.000 1.066 681 T HN 0.281 nan 8.240 nan 0.000 0.546 682 P HA 0.363 nan 4.420 nan 0.000 0.281 682 P C -0.298 176.959 177.300 -0.071 0.000 1.249 682 P CA -0.498 62.535 63.100 -0.112 0.000 0.810 682 P CB 1.014 32.677 31.700 -0.062 0.000 1.008 683 V N 3.672 123.559 119.914 -0.046 0.000 2.488 683 V HA 0.072 4.192 4.120 -0.000 0.000 0.277 683 V C 1.355 177.492 176.094 0.071 0.000 1.046 683 V CA 0.401 62.700 62.300 -0.002 0.000 0.986 683 V CB 0.092 31.924 31.823 0.015 0.000 0.989 683 V HN 0.447 nan 8.190 nan 0.000 0.475 684 L N 3.539 124.808 121.223 0.076 0.000 3.184 684 L HA 0.430 4.770 4.340 -0.000 0.000 0.283 684 L C -0.193 176.795 176.870 0.197 0.000 1.218 684 L CA 0.090 55.024 54.840 0.156 0.000 1.028 684 L CB 0.531 42.613 42.059 0.038 0.000 1.400 684 L HN 0.574 nan 8.230 nan 0.000 0.591 685 D N 1.310 121.686 120.400 -0.039 0.000 2.375 685 D HA 0.125 4.765 4.640 -0.000 0.000 0.247 685 D C -0.463 175.244 176.300 -0.988 0.000 1.061 685 D CA -0.293 53.473 54.000 -0.390 0.000 0.834 685 D CB 2.420 43.071 40.800 -0.248 0.000 1.247 685 D HN 0.036 nan 8.370 nan 0.000 0.489 686 E N 0.577 119.750 120.200 -1.712 0.000 2.480 686 E HA 0.192 4.542 4.350 -0.000 0.000 0.258 686 E C 0.989 177.164 176.600 -0.709 0.000 0.984 686 E CA 0.597 55.944 56.400 -1.756 0.000 0.930 686 E CB 0.175 28.959 29.700 -1.527 0.000 0.936 686 E HN 0.729 nan 8.360 nan 0.000 0.466 687 G N 2.570 111.115 108.800 -0.424 0.000 2.225 687 G HA2 -0.317 3.642 3.960 -0.000 0.000 0.254 687 G HA3 -0.317 3.642 3.960 -0.000 0.000 0.254 687 G C 0.272 175.077 174.900 -0.158 0.000 0.988 687 G CA 0.053 45.028 45.100 -0.208 0.000 0.625 687 G HN 0.909 nan 8.290 nan 0.000 0.527 688 A N 0.046 122.748 122.820 -0.197 0.000 2.340 688 A HA 0.714 5.034 4.320 -0.000 0.000 0.268 688 A C 0.636 178.181 177.584 -0.065 0.000 1.100 688 A CA 0.578 52.539 52.037 -0.126 0.000 0.803 688 A CB 0.417 19.331 19.000 -0.143 0.000 1.043 688 A HN 0.417 nan 8.150 nan 0.000 0.488 689 E N 0.384 120.555 120.200 -0.049 0.000 2.812 689 E HA 0.199 4.549 4.350 -0.000 0.000 0.211 689 E C -0.802 175.782 176.600 -0.025 0.000 0.986 689 E CA 0.072 56.457 56.400 -0.025 0.000 1.119 689 E CB 0.523 30.213 29.700 -0.017 0.000 1.046 689 E HN 0.605 nan 8.360 nan 0.000 0.474 690 K N 0.299 120.674 120.400 -0.042 0.000 2.575 690 K HA 0.509 4.829 4.320 -0.000 0.000 0.279 690 K C -1.902 174.656 176.600 -0.070 0.000 0.969 690 K CA -0.705 55.552 56.287 -0.050 0.000 0.868 690 K CB 3.122 35.590 32.500 -0.052 0.000 1.457 690 K HN -0.087 nan 8.250 nan 0.000 0.426 691 V N 2.963 122.823 119.914 -0.090 0.000 2.760 691 V HA 0.477 4.597 4.120 -0.000 0.000 0.309 691 V C -1.222 174.788 176.094 -0.140 0.000 1.077 691 V CA -0.862 61.375 62.300 -0.106 0.000 0.910 691 V CB 1.980 33.742 31.823 -0.102 0.000 1.008 691 V HN 0.691 nan 8.190 nan 0.000 0.424 692 M N 5.225 124.749 119.600 -0.127 0.000 2.184 692 M HA 0.588 5.067 4.480 -0.000 0.000 0.351 692 M C 0.087 176.296 176.300 -0.152 0.000 1.395 692 M CA 0.365 55.579 55.300 -0.143 0.000 1.117 692 M CB 0.376 32.914 32.600 -0.103 0.000 1.708 692 M HN 0.881 nan 8.290 nan 0.000 0.468 693 A N 4.380 127.073 122.820 -0.211 0.000 2.515 693 A HA 0.700 5.020 4.320 -0.000 0.000 0.296 693 A C -1.918 175.547 177.584 -0.198 0.000 1.094 693 A CA -0.637 51.271 52.037 -0.215 0.000 0.718 693 A CB 1.509 20.322 19.000 -0.312 0.000 1.307 693 A HN 0.684 nan 8.150 nan 0.000 0.408 694 Y N 1.020 121.153 120.300 -0.278 0.000 2.341 694 Y HA 0.549 5.098 4.550 -0.000 0.000 0.337 694 Y C -0.648 175.032 175.900 -0.366 0.000 1.014 694 Y CA -0.522 57.413 58.100 -0.275 0.000 1.111 694 Y CB 1.724 40.079 38.460 -0.176 0.000 1.194 694 Y HN 0.411 nan 8.280 nan 0.000 0.462 695 V N 9.282 128.575 119.914 -1.034 0.000 2.311 695 V HA 0.342 4.462 4.120 -0.000 0.000 0.275 695 V C -2.213 173.333 176.094 -0.913 0.000 1.022 695 V CA -2.076 59.701 62.300 -0.871 0.000 0.830 695 V CB 0.926 32.384 31.823 -0.609 0.000 1.012 695 V HN 0.717 nan 8.190 nan 0.000 0.452 696 P HA 0.068 nan 4.420 nan 0.000 0.271 696 P C -0.308 176.864 177.300 -0.214 0.000 1.244 696 P CA -0.350 62.468 63.100 -0.470 0.000 0.793 696 P CB 0.505 31.487 31.700 -1.197 0.000 0.984 697 D N 0.155 120.433 120.400 -0.202 0.000 2.545 697 D HA 0.368 5.008 4.640 -0.000 0.000 0.227 697 D C -0.715 175.605 176.300 0.034 0.000 1.150 697 D CA 0.369 54.360 54.000 -0.015 0.000 1.046 697 D CB -1.211 39.631 40.800 0.070 0.000 1.098 697 D HN 0.342 nan 8.370 nan 0.000 0.502 698 A N 1.642 124.444 122.820 -0.030 0.000 2.599 698 A HA 0.523 4.842 4.320 -0.000 0.000 0.290 698 A C -1.017 176.354 177.584 -0.355 0.000 1.101 698 A CA -0.761 51.160 52.037 -0.193 0.000 0.674 698 A CB 0.967 19.762 19.000 -0.342 0.000 1.277 698 A HN 0.060 nan 8.150 nan 0.000 0.419 699 V N 0.298 119.996 119.914 -0.359 0.000 2.572 699 V HA 0.289 4.409 4.120 -0.000 0.000 0.291 699 V C -0.731 174.992 176.094 -0.618 0.000 1.039 699 V CA 0.607 62.684 62.300 -0.371 0.000 1.055 699 V CB -0.160 31.517 31.823 -0.244 0.000 0.969 699 V HN 0.691 nan 8.190 nan 0.000 0.482 700 W N 3.892 125.040 121.300 -0.253 0.000 2.736 700 W HA 0.682 5.342 4.660 -0.000 0.000 0.335 700 W C -0.935 175.390 176.519 -0.322 0.000 1.059 700 W CA -0.595 56.657 57.345 -0.153 0.000 1.226 700 W CB 1.448 30.858 29.460 -0.083 0.000 1.416 700 W HN 0.442 nan 8.180 nan 0.000 0.505 701 Y N 1.002 121.529 120.300 0.379 0.000 2.409 701 Y HA 0.219 4.769 4.550 -0.000 0.000 0.343 701 Y C 0.102 176.157 175.900 0.257 0.000 0.973 701 Y CA -1.273 56.969 58.100 0.236 0.000 1.064 701 Y CB 1.368 39.893 38.460 0.108 0.000 1.207 701 Y HN 0.335 nan 8.280 nan 0.000 0.452 702 D N 1.362 121.947 120.400 0.309 0.000 2.487 702 D HA -0.120 4.520 4.640 -0.000 0.000 0.243 702 D C 0.675 176.983 176.300 0.013 0.000 1.154 702 D CA 0.470 54.496 54.000 0.044 0.000 0.876 702 D CB 0.524 41.344 40.800 0.033 0.000 1.161 702 D HN 0.583 nan 8.370 nan 0.000 0.478 703 Y N 3.643 123.837 120.300 -0.177 0.000 2.145 703 Y HA -0.152 4.397 4.550 -0.000 0.000 0.286 703 Y C 1.654 177.503 175.900 -0.085 0.000 1.145 703 Y CA 1.666 59.682 58.100 -0.139 0.000 1.148 703 Y CB 0.166 38.516 38.460 -0.184 0.000 0.981 703 Y HN 0.572 nan 8.280 nan 0.000 0.507 704 E N -0.916 119.271 120.200 -0.021 0.000 2.046 704 E HA -0.138 4.212 4.350 -0.000 0.000 0.190 704 E C 2.128 178.657 176.600 -0.119 0.000 0.982 704 E CA 1.838 58.200 56.400 -0.062 0.000 0.800 704 E CB -0.187 29.575 29.700 0.102 0.000 0.756 704 E HN 0.624 nan 8.360 nan 0.000 0.449 705 T N -3.114 111.395 114.554 -0.075 0.000 3.035 705 T HA 0.174 4.524 4.350 -0.000 0.000 0.259 705 T C 1.685 176.333 174.700 -0.086 0.000 1.078 705 T CA 0.719 62.776 62.100 -0.072 0.000 1.132 705 T CB 0.434 69.276 68.868 -0.043 0.000 0.900 705 T HN 0.317 nan 8.240 nan 0.000 0.480 706 G N 1.453 110.209 108.800 -0.073 0.000 2.176 706 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.253 706 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.253 706 G C 0.312 175.259 174.900 0.079 0.000 0.979 706 G CA 0.430 45.498 45.100 -0.054 0.000 0.641 706 G HN 1.327 nan 8.290 nan 0.000 0.530 707 S N -0.276 115.469 115.700 0.074 0.000 2.584 707 S HA 0.566 5.035 4.470 -0.000 0.000 0.273 707 S C 0.230 174.919 174.600 0.149 0.000 1.311 707 S CA 0.350 58.607 58.200 0.095 0.000 1.034 707 S CB 1.682 64.882 63.200 -0.001 0.000 0.939 707 S HN 0.657 nan 8.310 nan 0.000 0.513 708 Q N 2.287 122.155 119.800 0.112 0.000 2.297 708 Q HA 0.354 4.693 4.340 -0.000 0.000 0.267 708 Q C 0.098 176.004 176.000 -0.157 0.000 1.006 708 Q CA -0.778 54.962 55.803 -0.105 0.000 0.896 708 Q CB 0.767 29.407 28.738 -0.164 0.000 1.186 708 Q HN 0.793 nan 8.270 nan 0.000 0.392 709 V N 2.581 122.381 119.914 -0.190 0.000 2.881 709 V HA 0.201 4.321 4.120 -0.000 0.000 0.303 709 V C 0.996 176.876 176.094 -0.357 0.000 1.070 709 V CA -0.430 61.650 62.300 -0.366 0.000 1.074 709 V CB 1.391 32.979 31.823 -0.392 0.000 1.012 709 V HN 0.881 nan 8.190 nan 0.000 0.482 710 R N 1.515 121.697 120.500 -0.529 0.000 2.153 710 R HA 0.065 4.405 4.340 -0.000 0.000 0.218 710 R C 0.585 176.793 176.300 -0.153 0.000 1.072 710 R CA 0.374 56.286 56.100 -0.314 0.000 0.990 710 R CB -0.111 30.014 30.300 -0.292 0.000 0.889 710 R HN 0.828 nan 8.270 nan 0.000 0.452 711 W N 2.078 123.322 121.300 -0.093 0.000 2.293 711 W HA 0.074 4.734 4.660 -0.000 0.000 0.342 711 W C 0.723 177.182 176.519 -0.100 0.000 1.274 711 W CA -0.118 57.152 57.345 -0.126 0.000 1.290 711 W CB -0.210 29.131 29.460 -0.198 0.000 1.176 711 W HN -0.009 nan 8.180 nan 0.000 0.570 712 R N 2.418 122.982 120.500 0.108 0.000 2.572 712 R HA 0.106 4.445 4.340 -0.000 0.000 0.273 712 R C -0.114 176.149 176.300 -0.062 0.000 1.168 712 R CA -0.807 55.313 56.100 0.033 0.000 1.021 712 R CB 0.670 30.989 30.300 0.033 0.000 1.249 712 R HN 0.553 nan 8.270 nan 0.000 0.423 713 K N 3.116 123.411 120.400 -0.174 0.000 3.244 713 K HA -0.240 4.079 4.320 -0.000 0.000 0.270 713 K C -1.555 174.928 176.600 -0.194 0.000 1.016 713 K CA 1.807 57.981 56.287 -0.189 0.000 0.754 713 K CB -0.735 31.759 32.500 -0.010 0.000 1.326 713 K HN 0.795 nan 8.250 nan 0.000 0.465 714 Q N -0.432 119.076 119.800 -0.487 0.000 2.578 714 Q HA 0.386 4.726 4.340 -0.000 0.000 0.284 714 Q C -1.416 174.340 176.000 -0.406 0.000 0.960 714 Q CA -1.416 54.234 55.803 -0.255 0.000 0.809 714 Q CB 1.043 29.698 28.738 -0.138 0.000 1.462 714 Q HN 0.024 nan 8.270 nan 0.000 0.392 715 K N 1.118 121.457 120.400 -0.101 0.000 2.298 715 K HA 0.474 4.793 4.320 -0.000 0.000 0.280 715 K C -0.240 176.187 176.600 -0.287 0.000 1.032 715 K CA -0.205 56.016 56.287 -0.110 0.000 0.958 715 K CB 1.483 33.980 32.500 -0.005 0.000 0.978 715 K HN 0.535 nan 8.250 nan 0.000 0.472 716 V N -0.688 118.969 119.914 -0.428 0.000 3.078 716 V HA 0.400 4.520 4.120 -0.000 0.000 0.311 716 V C -0.843 174.982 176.094 -0.449 0.000 1.138 716 V CA -1.020 60.920 62.300 -0.599 0.000 1.007 716 V CB 1.968 32.983 31.823 -1.348 0.000 1.045 716 V HN 0.797 nan 8.190 nan 0.000 0.432 717 E N 2.781 122.773 120.200 -0.348 0.000 2.035 717 E HA 0.414 4.764 4.350 -0.000 0.000 0.271 717 E C -0.652 175.810 176.600 -0.230 0.000 0.953 717 E CA -0.474 55.792 56.400 -0.225 0.000 0.777 717 E CB 1.143 30.774 29.700 -0.116 0.000 1.104 717 E HN 0.809 nan 8.360 nan 0.000 0.408 718 M N 3.941 123.383 119.600 -0.264 0.000 2.120 718 M HA 0.138 4.618 4.480 -0.000 0.000 0.354 718 M C -0.280 176.001 176.300 -0.031 0.000 1.287 718 M CA -0.186 55.007 55.300 -0.178 0.000 1.103 718 M CB 0.825 33.285 32.600 -0.233 0.000 1.623 718 M HN 0.383 nan 8.290 nan 0.000 0.471 719 E N 6.241 126.482 120.200 0.069 0.000 2.180 719 E HA 0.287 4.637 4.350 -0.000 0.000 0.283 719 E C -1.694 174.934 176.600 0.047 0.000 1.061 719 E CA -0.129 56.301 56.400 0.051 0.000 0.861 719 E CB 0.491 30.235 29.700 0.074 0.000 1.056 719 E HN 0.709 nan 8.360 nan 0.000 0.407 720 L N 7.354 128.586 121.223 0.016 0.000 2.492 720 L HA 0.357 4.697 4.340 -0.000 0.000 0.258 720 L C -2.345 174.532 176.870 0.012 0.000 1.028 720 L CA -2.020 52.828 54.840 0.014 0.000 0.900 720 L CB 1.526 43.580 42.059 -0.008 0.000 1.191 720 L HN 0.403 nan 8.230 nan 0.000 0.459 721 P HA 0.063 nan 4.420 nan 0.000 0.274 721 P C 1.080 178.396 177.300 0.026 0.000 1.264 721 P CA -0.175 62.935 63.100 0.017 0.000 0.795 721 P CB 0.702 32.410 31.700 0.014 0.000 1.064 722 G N 0.446 109.262 108.800 0.025 0.000 2.479 722 G HA2 -0.207 3.752 3.960 -0.000 0.000 0.220 722 G HA3 -0.207 3.752 3.960 -0.000 0.000 0.220 722 G C 0.621 175.549 174.900 0.047 0.000 1.115 722 G CA 0.771 45.892 45.100 0.036 0.000 0.757 722 G HN 0.636 nan 8.290 nan 0.000 0.560 723 D N -0.836 119.593 120.400 0.048 0.000 2.368 723 D HA 0.119 4.759 4.640 -0.000 0.000 0.218 723 D C 0.308 176.715 176.300 0.178 0.000 1.112 723 D CA -0.008 54.039 54.000 0.078 0.000 0.834 723 D CB 0.308 41.112 40.800 0.007 0.000 0.953 723 D HN -0.011 nan 8.370 nan 0.000 0.505 724 K N 0.765 121.244 120.400 0.133 0.000 2.324 724 K HA 0.499 4.819 4.320 -0.000 0.000 0.253 724 K C -0.772 175.819 176.600 -0.016 0.000 0.932 724 K CA -0.770 55.608 56.287 0.152 0.000 0.799 724 K CB 2.998 35.557 32.500 0.098 0.000 1.154 724 K HN 0.101 nan 8.250 nan 0.000 0.425 725 I N 0.119 120.577 120.570 -0.187 0.000 2.530 725 I HA 0.395 4.565 4.170 -0.000 0.000 0.297 725 I C 0.073 176.046 176.117 -0.240 0.000 1.011 725 I CA -0.641 60.469 61.300 -0.316 0.000 1.107 725 I CB 1.826 39.487 38.000 -0.565 0.000 1.285 725 I HN 0.665 nan 8.210 nan 0.000 0.436 726 G N 7.471 116.147 108.800 -0.206 0.000 2.361 726 G HA2 0.464 4.424 3.960 -0.000 0.000 0.260 726 G HA3 0.464 4.424 3.960 -0.000 0.000 0.260 726 G C -0.982 173.717 174.900 -0.335 0.000 1.261 726 G CA -0.265 44.735 45.100 -0.166 0.000 0.897 726 G HN 0.528 nan 8.290 nan 0.000 0.499 727 L N 2.769 123.734 121.223 -0.431 0.000 2.439 727 L HA 0.396 4.736 4.340 -0.000 0.000 0.270 727 L C -0.966 175.581 176.870 -0.539 0.000 0.972 727 L CA -0.849 53.697 54.840 -0.488 0.000 0.836 727 L CB 2.219 43.976 42.059 -0.504 0.000 1.255 727 L HN 0.600 nan 8.230 nan 0.000 0.404 728 H N 2.773 121.778 119.070 -0.108 0.000 2.717 728 H HA 0.638 5.194 4.556 -0.000 0.000 0.366 728 H C -0.931 174.554 175.328 0.262 0.000 1.132 728 H CA -0.515 55.598 56.048 0.108 0.000 1.180 728 H CB 2.237 32.046 29.762 0.079 0.000 1.678 728 H HN 0.358 nan 8.280 nan 0.000 0.537 729 L N 2.053 123.534 121.223 0.430 0.000 2.309 729 L HA 0.484 4.823 4.340 -0.000 0.000 0.282 729 L C 0.383 177.579 176.870 0.544 0.000 1.036 729 L CA -0.715 54.315 54.840 0.317 0.000 0.806 729 L CB 1.403 43.414 42.059 -0.079 0.000 1.220 729 L HN 0.406 nan 8.230 nan 0.000 0.429 730 R N 1.379 122.132 120.500 0.423 0.000 2.298 730 R HA 0.334 4.674 4.340 -0.000 0.000 0.310 730 R C 0.191 176.675 176.300 0.307 0.000 1.068 730 R CA -0.377 55.678 56.100 -0.074 0.000 0.957 730 R CB 1.085 31.251 30.300 -0.222 0.000 1.003 730 R HN 0.834 nan 8.270 nan 0.000 0.454 731 G N 1.349 110.252 108.800 0.172 0.000 2.353 731 G HA2 0.329 4.289 3.960 -0.000 0.000 0.239 731 G HA3 0.329 4.289 3.960 -0.000 0.000 0.239 731 G C 0.803 175.857 174.900 0.256 0.000 1.295 731 G CA 0.361 45.654 45.100 0.320 0.000 0.884 731 G HN 0.918 nan 8.290 nan 0.000 0.537 732 G N 0.464 109.369 108.800 0.175 0.000 2.184 732 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.206 732 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.206 732 G C -0.021 174.633 174.900 -0.410 0.000 0.995 732 G CA 0.246 45.290 45.100 -0.093 0.000 0.651 732 G HN 0.817 nan 8.290 nan 0.000 0.511 733 Y N -0.150 120.186 120.300 0.059 0.000 2.462 733 Y HA 0.734 5.283 4.550 -0.000 0.000 0.346 733 Y C 0.489 176.287 175.900 -0.170 0.000 0.976 733 Y CA -1.136 56.893 58.100 -0.118 0.000 1.044 733 Y CB 1.675 39.962 38.460 -0.289 0.000 1.230 733 Y HN 0.081 nan 8.280 nan 0.000 0.455 734 I N 3.678 124.168 120.570 -0.133 0.000 2.378 734 I HA 0.347 4.516 4.170 -0.000 0.000 0.291 734 I C -1.291 174.722 176.117 -0.174 0.000 0.992 734 I CA -0.586 60.691 61.300 -0.039 0.000 1.154 734 I CB 1.069 39.109 38.000 0.067 0.000 1.315 734 I HN 0.413 nan 8.210 nan 0.000 0.448 735 F N 7.208 127.202 119.950 0.074 0.000 2.402 735 F HA 0.418 4.945 4.527 -0.000 0.000 0.355 735 F C -2.165 173.716 175.800 0.135 0.000 1.123 735 F CA -2.459 55.580 58.000 0.065 0.000 1.021 735 F CB 1.266 40.224 39.000 -0.069 0.000 1.160 735 F HN 0.215 nan 8.300 nan 0.000 0.451 736 P HA 0.234 nan 4.420 nan 0.000 0.285 736 P C -0.513 177.054 177.300 0.445 0.000 1.259 736 P CA -0.243 63.101 63.100 0.407 0.000 0.794 736 P CB 1.600 33.646 31.700 0.576 0.000 0.940 737 T N -0.291 114.473 114.554 0.351 0.000 2.916 737 T HA 0.584 4.934 4.350 -0.000 0.000 0.292 737 T C -1.004 173.834 174.700 0.229 0.000 1.064 737 T CA -0.774 61.516 62.100 0.317 0.000 1.011 737 T CB 1.924 70.949 68.868 0.263 0.000 1.152 737 T HN 0.456 nan 8.240 nan 0.000 0.510 738 Q N 0.721 120.657 119.800 0.226 0.000 2.285 738 Q HA 0.295 4.635 4.340 -0.000 0.000 0.269 738 Q C -0.873 175.220 176.000 0.156 0.000 1.030 738 Q CA -0.632 55.259 55.803 0.146 0.000 0.788 738 Q CB 2.132 30.973 28.738 0.171 0.000 1.266 738 Q HN 0.820 nan 8.270 nan 0.000 0.438 739 Q N 5.020 124.878 119.800 0.097 0.000 2.308 739 Q HA 0.016 4.356 4.340 -0.000 0.000 0.313 739 Q C -2.046 174.032 176.000 0.130 0.000 1.075 739 Q CA -0.616 55.242 55.803 0.092 0.000 0.995 739 Q CB 0.581 29.349 28.738 0.050 0.000 1.107 739 Q HN 0.409 nan 8.270 nan 0.000 0.380 740 P HA 0.152 nan 4.420 nan 0.000 0.274 740 P C -0.779 176.600 177.300 0.132 0.000 1.246 740 P CA -0.260 62.949 63.100 0.182 0.000 0.795 740 P CB 1.008 32.798 31.700 0.149 0.000 1.006 741 N N -1.163 117.635 118.700 0.163 0.000 3.316 741 N HA 0.178 4.917 4.740 -0.000 0.000 0.300 741 N C 0.579 176.127 175.510 0.063 0.000 1.567 741 N CA -0.244 52.862 53.050 0.093 0.000 0.821 741 N CB 0.590 39.138 38.487 0.102 0.000 1.748 741 N HN 0.338 nan 8.380 nan 0.000 0.603 742 T N -2.907 111.667 114.554 0.033 0.000 3.100 742 T HA 0.186 4.535 4.350 -0.000 0.000 0.253 742 T C 0.578 175.333 174.700 0.092 0.000 1.118 742 T CA 0.700 62.791 62.100 -0.015 0.000 1.058 742 T CB -0.598 68.270 68.868 0.000 0.000 0.953 742 T HN 0.601 nan 8.240 nan 0.000 0.515 743 T N -1.364 113.298 114.554 0.181 0.000 2.903 743 T HA 0.483 4.833 4.350 -0.000 0.000 0.299 743 T C 1.118 175.993 174.700 0.292 0.000 1.093 743 T CA -0.083 62.158 62.100 0.235 0.000 1.002 743 T CB 1.758 70.673 68.868 0.078 0.000 1.127 743 T HN 0.084 nan 8.240 nan 0.000 0.488 744 T N 0.167 114.885 114.554 0.274 0.000 2.915 744 T HA -0.086 4.263 4.350 -0.000 0.000 0.269 744 T C 1.888 176.683 174.700 0.160 0.000 1.071 744 T CA 0.907 63.153 62.100 0.243 0.000 1.132 744 T CB -0.514 68.512 68.868 0.263 0.000 0.878 744 T HN 0.445 nan 8.240 nan 0.000 0.479 745 L N 1.705 122.986 121.223 0.095 0.000 2.013 745 L HA 0.067 4.407 4.340 -0.000 0.000 0.212 745 L C 2.774 179.669 176.870 0.041 0.000 1.073 745 L CA 2.092 56.950 54.840 0.031 0.000 0.753 745 L CB -1.061 40.985 42.059 -0.021 0.000 0.890 745 L HN 0.362 nan 8.230 nan 0.000 0.432 746 A N -1.268 121.590 122.820 0.064 0.000 1.903 746 A HA -0.106 4.214 4.320 -0.000 0.000 0.213 746 A C 2.455 180.096 177.584 0.094 0.000 1.185 746 A CA 1.432 53.507 52.037 0.063 0.000 0.628 746 A CB -1.066 17.967 19.000 0.056 0.000 0.830 746 A HN 0.626 nan 8.150 nan 0.000 0.446 747 S N 0.331 116.123 115.700 0.153 0.000 2.383 747 S HA -0.220 4.250 4.470 -0.000 0.000 0.229 747 S C 1.894 176.596 174.600 0.169 0.000 1.030 747 S CA 1.385 59.699 58.200 0.190 0.000 1.002 747 S CB -0.563 62.816 63.200 0.299 0.000 0.829 747 S HN 0.564 nan 8.310 nan 0.000 0.467 748 R N 1.270 121.859 120.500 0.148 0.000 2.293 748 R HA 0.087 4.427 4.340 -0.000 0.000 0.219 748 R C 1.766 178.147 176.300 0.135 0.000 1.091 748 R CA 1.132 57.321 56.100 0.149 0.000 1.004 748 R CB -0.160 30.133 30.300 -0.013 0.000 0.865 748 R HN 0.544 nan 8.270 nan 0.000 0.469 749 K N -0.322 120.124 120.400 0.077 0.000 2.374 749 K HA 0.087 4.407 4.320 -0.000 0.000 0.196 749 K C 0.034 176.637 176.600 0.005 0.000 1.023 749 K CA -0.083 56.226 56.287 0.037 0.000 1.103 749 K CB 0.308 32.824 32.500 0.026 0.000 0.848 749 K HN 0.065 nan 8.250 nan 0.000 0.528 750 N N 1.517 120.226 118.700 0.014 0.000 2.463 750 N HA 0.220 4.960 4.740 -0.000 0.000 0.270 750 N C -2.672 172.799 175.510 -0.066 0.000 1.205 750 N CA -2.097 50.948 53.050 -0.007 0.000 0.974 750 N CB 0.343 38.850 38.487 0.032 0.000 1.197 750 N HN -0.200 nan 8.380 nan 0.000 0.504 751 P HA 0.098 nan 4.420 nan 0.000 0.268 751 P C -0.364 176.856 177.300 -0.134 0.000 1.208 751 P CA 0.199 63.230 63.100 -0.116 0.000 0.777 751 P CB 0.574 32.232 31.700 -0.070 0.000 0.875 752 L N 0.843 121.917 121.223 -0.247 0.000 2.376 752 L HA 0.860 5.199 4.340 -0.000 0.000 0.267 752 L C 1.061 177.934 176.870 0.005 0.000 1.035 752 L CA -0.392 54.311 54.840 -0.229 0.000 0.800 752 L CB 1.094 42.742 42.059 -0.686 0.000 1.290 752 L HN 0.418 nan 8.230 nan 0.000 0.462 753 G N 0.001 108.913 108.800 0.187 0.000 2.695 753 G HA2 0.734 4.694 3.960 -0.000 0.000 0.290 753 G HA3 0.734 4.694 3.960 -0.000 0.000 0.290 753 G C -1.767 173.266 174.900 0.222 0.000 1.410 753 G CA -0.596 44.630 45.100 0.211 0.000 0.844 753 G HN 0.346 nan 8.290 nan 0.000 0.478 754 L N 0.366 121.608 121.223 0.031 0.000 2.386 754 L HA 0.556 4.896 4.340 -0.000 0.000 0.271 754 L C -0.666 176.180 176.870 -0.041 0.000 0.993 754 L CA -0.768 54.011 54.840 -0.102 0.000 0.819 754 L CB 2.419 44.240 42.059 -0.395 0.000 1.294 754 L HN 0.323 nan 8.230 nan 0.000 0.414 755 I N 4.227 124.825 120.570 0.046 0.000 2.328 755 I HA 0.342 4.512 4.170 -0.000 0.000 0.287 755 I C -0.331 175.856 176.117 0.118 0.000 1.012 755 I CA -0.268 61.062 61.300 0.049 0.000 1.195 755 I CB 1.400 39.430 38.000 0.050 0.000 1.350 755 I HN 0.409 nan 8.210 nan 0.000 0.464 756 I N 6.369 126.944 120.570 0.008 0.000 2.291 756 I HA 0.341 4.511 4.170 -0.000 0.000 0.290 756 I C 0.524 176.632 176.117 -0.015 0.000 1.050 756 I CA -0.222 61.095 61.300 0.028 0.000 1.245 756 I CB 1.093 39.086 38.000 -0.011 0.000 1.405 756 I HN 0.596 nan 8.210 nan 0.000 0.478 757 A N 8.375 131.253 122.820 0.097 0.000 2.366 757 A HA 0.559 4.879 4.320 -0.000 0.000 0.322 757 A C -0.050 177.608 177.584 0.124 0.000 1.397 757 A CA -0.509 51.516 52.037 -0.021 0.000 0.984 757 A CB 0.010 19.164 19.000 0.256 0.000 1.149 757 A HN 0.699 nan 8.150 nan 0.000 0.540 758 L N 2.801 124.062 121.223 0.064 0.000 2.453 758 L HA 0.152 4.492 4.340 -0.000 0.000 0.272 758 L C 0.642 177.659 176.870 0.244 0.000 1.182 758 L CA -0.552 54.383 54.840 0.157 0.000 0.858 758 L CB 0.292 42.433 42.059 0.137 0.000 1.120 758 L HN 0.845 nan 8.230 nan 0.000 0.474 759 D N 1.302 121.791 120.400 0.147 0.000 2.447 759 D HA 0.030 4.669 4.640 -0.000 0.000 0.265 759 D C 0.763 177.114 176.300 0.086 0.000 1.250 759 D CA -0.500 53.564 54.000 0.106 0.000 1.046 759 D CB 0.518 41.351 40.800 0.055 0.000 1.095 759 D HN 0.455 nan 8.370 nan 0.000 0.555 760 E N -0.872 119.359 120.200 0.051 0.000 2.171 760 E HA -0.180 4.170 4.350 -0.000 0.000 0.197 760 E C 0.911 177.536 176.600 0.041 0.000 0.997 760 E CA 1.371 57.794 56.400 0.039 0.000 0.810 760 E CB -0.284 29.431 29.700 0.024 0.000 0.738 760 E HN 0.348 nan 8.360 nan 0.000 0.467 761 N N 0.618 119.343 118.700 0.042 0.000 2.370 761 N HA 0.003 4.743 4.740 -0.000 0.000 0.198 761 N C -0.577 174.964 175.510 0.053 0.000 1.156 761 N CA 0.203 53.276 53.050 0.039 0.000 0.839 761 N CB 0.491 38.996 38.487 0.030 0.000 0.989 761 N HN 0.002 nan 8.380 nan 0.000 0.468 762 K N 0.224 120.668 120.400 0.072 0.000 3.071 762 K HA -0.197 4.122 4.320 -0.000 0.000 0.265 762 K C -0.636 176.029 176.600 0.108 0.000 1.060 762 K CA 0.787 57.137 56.287 0.104 0.000 0.767 762 K CB -2.066 30.501 32.500 0.112 0.000 1.241 762 K HN 0.527 nan 8.250 nan 0.000 0.486 763 E N -0.596 119.650 120.200 0.077 0.000 2.320 763 E HA 0.816 5.165 4.350 -0.000 0.000 0.264 763 E C -0.582 176.040 176.600 0.037 0.000 0.923 763 E CA -0.806 55.628 56.400 0.057 0.000 0.796 763 E CB 2.152 31.867 29.700 0.025 0.000 1.262 763 E HN 0.310 nan 8.360 nan 0.000 0.428 764 A N 1.512 124.342 122.820 0.017 0.000 2.605 764 A HA 0.621 4.940 4.320 -0.000 0.000 0.294 764 A C -1.524 176.039 177.584 -0.036 0.000 1.062 764 A CA -0.808 51.210 52.037 -0.031 0.000 0.682 764 A CB 1.614 20.633 19.000 0.030 0.000 1.278 764 A HN 0.428 nan 8.150 nan 0.000 0.410 765 K N -0.175 120.158 120.400 -0.111 0.000 2.512 765 K HA 0.776 5.096 4.320 -0.000 0.000 0.263 765 K C -0.265 176.341 176.600 0.011 0.000 0.966 765 K CA -0.438 55.827 56.287 -0.036 0.000 0.851 765 K CB 2.892 35.347 32.500 -0.075 0.000 1.395 765 K HN 1.432 nan 8.250 nan 0.000 0.440 766 G N 0.475 109.364 108.800 0.149 0.000 2.554 766 G HA2 0.493 4.452 3.960 -0.000 0.000 0.306 766 G HA3 0.493 4.452 3.960 -0.000 0.000 0.306 766 G C -1.881 173.167 174.900 0.247 0.000 1.320 766 G CA -0.684 44.565 45.100 0.250 0.000 0.800 766 G HN 0.657 nan 8.290 nan 0.000 0.481 767 E N -1.837 118.554 120.200 0.318 0.000 2.423 767 E HA 0.675 5.025 4.350 -0.000 0.000 0.280 767 E C -2.206 174.595 176.600 0.334 0.000 1.030 767 E CA -1.045 55.415 56.400 0.099 0.000 0.812 767 E CB 2.486 32.272 29.700 0.144 0.000 1.313 767 E HN 0.886 nan 8.360 nan 0.000 0.456 768 L N 1.632 122.987 121.223 0.219 0.000 2.516 768 L HA 0.567 4.907 4.340 -0.000 0.000 0.267 768 L C -1.998 175.091 176.870 0.365 0.000 0.957 768 L CA -0.594 54.514 54.840 0.447 0.000 0.860 768 L CB 1.775 44.222 42.059 0.647 0.000 1.265 768 L HN 0.686 nan 8.230 nan 0.000 0.403 769 F N 5.703 125.787 119.950 0.224 0.000 2.421 769 F HA 0.676 5.202 4.527 -0.000 0.000 0.337 769 F C -1.423 174.585 175.800 0.346 0.000 1.105 769 F CA -0.196 57.816 58.000 0.021 0.000 1.049 769 F CB 1.000 39.696 39.000 -0.508 0.000 1.139 769 F HN 0.620 nan 8.300 nan 0.000 0.479 770 W N 8.990 129.827 121.300 -0.771 0.000 3.132 770 W HA 0.263 4.922 4.660 -0.000 0.000 0.337 770 W C -1.845 174.339 176.519 -0.557 0.000 1.082 770 W CA -0.654 56.447 57.345 -0.407 0.000 1.242 770 W CB 1.859 31.299 29.460 -0.034 0.000 1.354 770 W HN 0.766 nan 8.180 nan 0.000 0.461 771 D N 1.537 121.412 120.400 -0.875 0.000 2.837 771 D HA 0.161 4.800 4.640 -0.000 0.000 0.294 771 D C 0.644 176.300 176.300 -1.073 0.000 1.158 771 D CA -0.223 53.256 54.000 -0.868 0.000 1.073 771 D CB 0.114 40.590 40.800 -0.540 0.000 1.419 771 D HN 0.268 nan 8.370 nan 0.000 0.584 772 D N -1.672 118.081 120.400 -1.078 0.000 2.378 772 D HA 0.129 4.769 4.640 -0.000 0.000 0.227 772 D C 1.588 177.628 176.300 -0.433 0.000 1.012 772 D CA 1.106 54.725 54.000 -0.635 0.000 0.905 772 D CB -0.377 40.182 40.800 -0.402 0.000 0.895 772 D HN 0.874 nan 8.370 nan 0.000 0.532 773 G N 0.637 109.188 108.800 -0.415 0.000 2.205 773 G HA2 -0.363 3.596 3.960 -0.000 0.000 0.261 773 G HA3 -0.363 3.596 3.960 -0.000 0.000 0.261 773 G C 0.766 175.582 174.900 -0.140 0.000 0.980 773 G CA 0.701 45.596 45.100 -0.342 0.000 0.632 773 G HN 0.608 nan 8.290 nan 0.000 0.533 774 E N -1.983 118.151 120.200 -0.110 0.000 2.608 774 E HA 0.140 4.490 4.350 -0.000 0.000 0.204 774 E C 0.339 176.914 176.600 -0.042 0.000 0.884 774 E CA 0.377 56.747 56.400 -0.050 0.000 1.533 774 E CB 0.079 29.785 29.700 0.009 0.000 1.559 774 E HN 0.239 nan 8.360 nan 0.000 0.864 775 T N 2.450 116.970 114.554 -0.057 0.000 2.870 775 T HA 0.106 4.456 4.350 -0.000 0.000 0.300 775 T C -0.205 174.480 174.700 -0.025 0.000 0.989 775 T CA 0.005 62.085 62.100 -0.033 0.000 1.139 775 T CB 1.320 70.165 68.868 -0.039 0.000 0.920 775 T HN 0.066 nan 8.240 nan 0.000 0.537 776 K N 2.173 122.566 120.400 -0.011 0.000 2.326 776 K HA 0.036 4.355 4.320 -0.000 0.000 0.275 776 K C 0.051 176.658 176.600 0.012 0.000 1.018 776 K CA -0.224 56.055 56.287 -0.013 0.000 0.962 776 K CB 0.323 32.822 32.500 -0.002 0.000 0.953 776 K HN 0.622 nan 8.250 nan 0.000 0.475 777 D N 1.497 121.908 120.400 0.018 0.000 2.981 777 D HA -0.157 4.483 4.640 -0.000 0.000 0.223 777 D C 0.900 177.260 176.300 0.101 0.000 1.151 777 D CA 1.475 55.516 54.000 0.068 0.000 0.827 777 D CB -1.324 39.517 40.800 0.067 0.000 1.101 777 D HN 0.869 nan 8.370 nan 0.000 0.426 778 T N -3.587 111.024 114.554 0.095 0.000 2.881 778 T HA -0.105 4.245 4.350 -0.000 0.000 0.270 778 T C 1.931 176.812 174.700 0.301 0.000 1.068 778 T CA 1.487 63.676 62.100 0.149 0.000 1.131 778 T CB -0.108 68.815 68.868 0.091 0.000 0.871 778 T HN 0.182 nan 8.240 nan 0.000 0.479 779 V N 1.985 122.061 119.914 0.269 0.000 2.300 779 V HA 0.106 4.226 4.120 -0.000 0.000 0.241 779 V C 3.256 179.551 176.094 0.335 0.000 1.034 779 V CA 1.263 63.772 62.300 0.347 0.000 1.021 779 V CB -1.436 30.546 31.823 0.266 0.000 0.662 779 V HN 0.611 nan 8.190 nan 0.000 0.458 780 A N 0.701 123.656 122.820 0.225 0.000 1.948 780 A HA -0.298 4.022 4.320 -0.000 0.000 0.220 780 A C 1.846 179.523 177.584 0.154 0.000 1.177 780 A CA 2.570 54.704 52.037 0.162 0.000 0.636 780 A CB -0.925 18.145 19.000 0.117 0.000 0.815 780 A HN 0.730 nan 8.150 nan 0.000 0.449 781 N N -0.448 118.347 118.700 0.158 0.000 2.398 781 N HA 0.054 4.793 4.740 -0.000 0.000 0.188 781 N C -0.497 175.091 175.510 0.130 0.000 1.122 781 N CA 0.041 53.165 53.050 0.123 0.000 0.866 781 N CB 0.182 38.727 38.487 0.097 0.000 0.970 781 N HN 0.158 nan 8.380 nan 0.000 0.462 782 K N 0.107 120.630 120.400 0.205 0.000 3.148 782 K HA -0.143 4.177 4.320 -0.000 0.000 0.267 782 K C -1.008 175.600 176.600 0.015 0.000 0.996 782 K CA 0.351 56.706 56.287 0.114 0.000 0.737 782 K CB -2.142 30.361 32.500 0.004 0.000 1.308 782 K HN 0.071 nan 8.250 nan 0.000 0.470 783 V N 2.028 122.036 119.914 0.156 0.000 2.204 783 V HA 0.356 4.476 4.120 -0.000 0.000 0.264 783 V C -0.226 175.978 176.094 0.185 0.000 1.106 783 V CA -0.531 61.840 62.300 0.118 0.000 0.947 783 V CB -0.806 31.084 31.823 0.110 0.000 1.164 783 V HN 0.364 nan 8.190 nan 0.000 0.461 784 Y N 2.006 122.339 120.300 0.056 0.000 2.689 784 Y HA 0.818 5.367 4.550 -0.000 0.000 0.333 784 Y C -1.575 174.336 175.900 0.017 0.000 1.208 784 Y CA -1.893 56.176 58.100 -0.051 0.000 1.055 784 Y CB 1.666 40.022 38.460 -0.174 0.000 1.304 784 Y HN 0.197 nan 8.280 nan 0.000 0.455 785 L N 2.843 124.168 121.223 0.169 0.000 2.307 785 L HA 0.779 5.119 4.340 -0.000 0.000 0.284 785 L C -1.698 175.284 176.870 0.188 0.000 1.023 785 L CA -0.830 54.101 54.840 0.152 0.000 0.810 785 L CB 1.483 43.674 42.059 0.219 0.000 1.231 785 L HN 0.756 nan 8.230 nan 0.000 0.423 786 L N 6.537 127.875 121.223 0.190 0.000 2.441 786 L HA 0.682 5.022 4.340 -0.000 0.000 0.270 786 L C -0.810 176.122 176.870 0.103 0.000 0.973 786 L CA -0.214 54.747 54.840 0.202 0.000 0.842 786 L CB 1.222 43.481 42.059 0.333 0.000 1.239 786 L HN 0.922 nan 8.230 nan 0.000 0.406 787 C N 1.868 121.187 119.300 0.031 0.000 2.848 787 C HA 0.964 5.423 4.460 -0.000 0.000 0.317 787 C C -0.817 173.950 174.990 -0.372 0.000 1.260 787 C CA -0.642 58.299 59.018 -0.128 0.000 1.656 787 C CB 2.051 29.724 27.740 -0.110 0.000 2.174 787 C HN 0.806 nan 8.230 nan 0.000 0.479 788 E N 0.714 120.668 120.200 -0.410 0.000 2.222 788 E HA 0.610 4.960 4.350 -0.000 0.000 0.267 788 E C -1.656 174.660 176.600 -0.474 0.000 0.884 788 E CA -0.193 55.963 56.400 -0.406 0.000 0.764 788 E CB 1.807 31.434 29.700 -0.122 0.000 1.169 788 E HN 0.638 nan 8.360 nan 0.000 0.413 789 F N 0.758 120.739 119.950 0.052 0.000 2.469 789 F HA 0.490 5.017 4.527 -0.000 0.000 0.332 789 F C 0.275 176.085 175.800 0.016 0.000 1.103 789 F CA -0.827 57.184 58.000 0.018 0.000 0.979 789 F CB 1.927 40.920 39.000 -0.012 0.000 1.137 789 F HN 0.313 nan 8.300 nan 0.000 0.463 790 S N 0.896 116.706 115.700 0.183 0.000 2.572 790 S HA 0.739 5.209 4.470 -0.000 0.000 0.274 790 S C -1.459 173.200 174.600 0.099 0.000 1.150 790 S CA -0.822 57.441 58.200 0.105 0.000 0.944 790 S CB 1.313 64.545 63.200 0.054 0.000 1.071 790 S HN 0.374 nan 8.310 nan 0.000 0.479 791 V N 2.776 122.746 119.914 0.093 0.000 2.417 791 V HA 0.892 5.012 4.120 -0.000 0.000 0.291 791 V C -0.232 175.899 176.094 0.063 0.000 1.024 791 V CA -0.031 62.335 62.300 0.110 0.000 0.861 791 V CB 1.504 33.442 31.823 0.190 0.000 0.985 791 V HN 1.217 nan 8.190 nan 0.000 0.436 792 T N 1.843 116.406 114.554 0.015 0.000 3.705 792 T HA 0.419 4.768 4.350 -0.000 0.000 0.342 792 T C -0.556 174.100 174.700 -0.072 0.000 1.043 792 T CA -0.666 61.434 62.100 -0.001 0.000 1.071 792 T CB 1.417 70.280 68.868 -0.008 0.000 1.124 792 T HN 0.545 nan 8.240 nan 0.000 0.467 793 Q N 2.060 121.815 119.800 -0.074 0.000 2.127 793 Q HA 0.330 4.670 4.340 -0.000 0.000 0.222 793 Q C 0.222 176.210 176.000 -0.020 0.000 0.794 793 Q CA -0.154 55.674 55.803 0.042 0.000 1.010 793 Q CB 0.538 29.323 28.738 0.078 0.000 1.170 793 Q HN 0.804 nan 8.270 nan 0.000 0.479 794 N N 0.968 119.419 118.700 -0.415 0.000 2.466 794 N HA 0.206 4.946 4.740 -0.000 0.000 0.272 794 N C -1.131 173.481 175.510 -1.497 0.000 1.455 794 N CA -0.083 52.299 53.050 -1.112 0.000 0.875 794 N CB 0.980 39.091 38.487 -0.626 0.000 1.372 794 N HN -0.094 nan 8.380 nan 0.000 0.492 795 R N 1.442 121.209 120.500 -1.221 0.000 2.572 795 R HA 0.271 4.611 4.340 -0.000 0.000 0.273 795 R C -2.214 173.916 176.300 -0.283 0.000 1.168 795 R CA -0.688 54.995 56.100 -0.695 0.000 1.021 795 R CB 1.044 31.133 30.300 -0.353 0.000 1.249 795 R HN 0.028 nan 8.270 nan 0.000 0.423 796 L N 3.147 124.345 121.223 -0.042 0.000 2.282 796 L HA 0.508 4.848 4.340 -0.000 0.000 0.288 796 L C -0.889 176.041 176.870 0.100 0.000 1.033 796 L CA 0.236 55.164 54.840 0.145 0.000 0.807 796 L CB 1.589 43.806 42.059 0.265 0.000 1.209 796 L HN 0.619 nan 8.230 nan 0.000 0.423 797 E N 4.043 124.305 120.200 0.104 0.000 2.158 797 E HA 0.483 4.833 4.350 -0.000 0.000 0.271 797 E C -1.267 175.433 176.600 0.166 0.000 0.911 797 E CA -0.803 55.662 56.400 0.108 0.000 0.767 797 E CB 2.212 31.948 29.700 0.060 0.000 1.120 797 E HN 0.454 nan 8.360 nan 0.000 0.405 798 V N 4.000 124.033 119.914 0.199 0.000 2.328 798 V HA 0.278 4.398 4.120 -0.000 0.000 0.278 798 V C -0.188 175.986 176.094 0.132 0.000 1.021 798 V CA -0.800 61.642 62.300 0.235 0.000 0.838 798 V CB 1.025 33.062 31.823 0.355 0.000 0.999 798 V HN 0.567 nan 8.190 nan 0.000 0.447 799 N N 4.639 123.366 118.700 0.045 0.000 2.314 799 N HA 0.504 5.244 4.740 -0.000 0.000 0.294 799 N C -1.276 174.230 175.510 -0.007 0.000 1.029 799 N CA -0.555 52.503 53.050 0.014 0.000 0.845 799 N CB 1.939 40.427 38.487 0.001 0.000 1.321 799 N HN 0.390 nan 8.380 nan 0.000 0.481 800 I N 2.330 122.906 120.570 0.011 0.000 2.354 800 I HA 0.165 4.335 4.170 -0.000 0.000 0.292 800 I C 1.493 177.620 176.117 0.016 0.000 0.989 800 I CA -0.223 61.089 61.300 0.020 0.000 1.188 800 I CB 1.097 39.117 38.000 0.033 0.000 1.342 800 I HN 0.655 nan 8.210 nan 0.000 0.457 801 S N 4.931 120.648 115.700 0.028 0.000 2.527 801 S HA 0.124 4.594 4.470 -0.000 0.000 0.227 801 S C 0.501 175.120 174.600 0.032 0.000 1.059 801 S CA 0.038 58.261 58.200 0.038 0.000 0.919 801 S CB 0.483 63.719 63.200 0.062 0.000 0.805 801 S HN 0.633 nan 8.310 nan 0.000 0.500 802 Q N 0.556 120.371 119.800 0.024 0.000 2.331 802 Q HA 0.680 5.020 4.340 -0.000 0.000 0.272 802 Q C -1.284 174.679 176.000 -0.063 0.000 1.062 802 Q CA -0.254 55.510 55.803 -0.066 0.000 0.806 802 Q CB 2.187 30.816 28.738 -0.183 0.000 1.312 802 Q HN 0.089 nan 8.270 nan 0.000 0.431 803 S N 2.258 117.912 115.700 -0.077 0.000 2.539 803 S HA 0.244 4.714 4.470 -0.000 0.000 0.185 803 S C -0.489 174.096 174.600 -0.025 0.000 1.181 803 S CA 0.232 58.418 58.200 -0.023 0.000 1.216 803 S CB -0.080 63.117 63.200 -0.004 0.000 1.476 803 S HN 0.733 nan 8.310 nan 0.000 0.395 804 T N -0.940 113.590 114.554 -0.040 0.000 3.129 804 T HA 0.322 4.671 4.350 -0.000 0.000 0.267 804 T C -0.395 174.371 174.700 0.110 0.000 1.018 804 T CA -0.198 61.900 62.100 -0.003 0.000 0.903 804 T CB -0.085 68.751 68.868 -0.053 0.000 1.067 804 T HN 0.423 nan 8.240 nan 0.000 0.549 805 Y N 1.763 122.052 120.300 -0.017 0.000 2.346 805 Y HA 0.595 5.144 4.550 -0.000 0.000 0.332 805 Y C -0.876 175.054 175.900 0.051 0.000 0.985 805 Y CA -1.822 56.291 58.100 0.021 0.000 1.112 805 Y CB 1.593 40.070 38.460 0.028 0.000 1.170 805 Y HN -0.007 nan 8.280 nan 0.000 0.447 806 K N 5.668 125.764 120.400 -0.505 0.000 2.367 806 K HA 0.208 4.528 4.320 -0.000 0.000 0.263 806 K C -0.914 175.269 176.600 -0.695 0.000 1.000 806 K CA -0.611 55.421 56.287 -0.424 0.000 0.891 806 K CB 0.658 33.039 32.500 -0.199 0.000 1.117 806 K HN 0.702 nan 8.250 nan 0.000 0.443 807 D N 5.846 125.950 120.400 -0.494 0.000 2.434 807 D HA 0.002 4.642 4.640 -0.000 0.000 0.252 807 D C -1.354 174.858 176.300 -0.147 0.000 1.185 807 D CA -1.299 52.553 54.000 -0.246 0.000 0.886 807 D CB 1.381 42.298 40.800 0.195 0.000 1.148 807 D HN 0.445 nan 8.370 nan 0.000 0.483 808 P HA -0.030 nan 4.420 nan 0.000 0.242 808 P C 0.151 177.431 177.300 -0.033 0.000 1.197 808 P CA 0.481 63.541 63.100 -0.066 0.000 0.765 808 P CB 0.139 31.815 31.700 -0.040 0.000 0.936 809 N N 0.326 119.018 118.700 -0.012 0.000 2.383 809 N HA -0.007 4.733 4.740 -0.000 0.000 0.192 809 N C -0.027 175.460 175.510 -0.038 0.000 1.141 809 N CA -0.159 52.884 53.050 -0.011 0.000 0.851 809 N CB -0.503 37.995 38.487 0.018 0.000 0.976 809 N HN -0.115 nan 8.380 nan 0.000 0.465 810 N N 0.759 119.426 118.700 -0.054 0.000 2.756 810 N HA -0.146 4.594 4.740 -0.000 0.000 0.248 810 N C -1.141 174.312 175.510 -0.096 0.000 1.062 810 N CA 0.428 53.439 53.050 -0.065 0.000 0.696 810 N CB -1.227 37.231 38.487 -0.049 0.000 0.946 810 N HN 0.272 nan 8.380 nan 0.000 0.548 811 L N -0.248 120.891 121.223 -0.140 0.000 2.395 811 L HA 0.678 5.017 4.340 -0.000 0.000 0.269 811 L C 0.921 177.633 176.870 -0.263 0.000 1.133 811 L CA -0.060 54.641 54.840 -0.231 0.000 0.812 811 L CB 1.188 43.032 42.059 -0.358 0.000 1.125 811 L HN 0.325 nan 8.230 nan 0.000 0.452 812 A N 1.966 124.597 122.820 -0.316 0.000 2.594 812 A HA 0.678 4.997 4.320 -0.000 0.000 0.295 812 A C -1.241 176.106 177.584 -0.395 0.000 1.071 812 A CA -0.612 51.249 52.037 -0.293 0.000 0.685 812 A CB 0.877 19.797 19.000 -0.134 0.000 1.285 812 A HN 0.415 nan 8.150 nan 0.000 0.405 813 F N 2.359 122.239 119.950 -0.116 0.000 2.467 813 F HA 0.262 4.789 4.527 -0.000 0.000 0.362 813 F C 1.539 177.262 175.800 -0.128 0.000 1.090 813 F CA 0.187 58.115 58.000 -0.121 0.000 1.202 813 F CB 0.840 39.759 39.000 -0.135 0.000 1.113 813 F HN 0.686 nan 8.300 nan 0.000 0.541 814 N N 1.200 119.921 118.700 0.035 0.000 2.159 814 N HA 0.064 4.803 4.740 -0.000 0.000 0.217 814 N C -0.500 175.006 175.510 -0.007 0.000 1.223 814 N CA -0.050 52.995 53.050 -0.009 0.000 0.896 814 N CB 0.580 39.047 38.487 -0.034 0.000 1.064 814 N HN 0.734 nan 8.380 nan 0.000 0.518 815 E N 0.500 120.709 120.200 0.016 0.000 2.321 815 E HA 0.420 4.770 4.350 -0.000 0.000 0.281 815 E C -1.617 174.970 176.600 -0.022 0.000 0.910 815 E CA -0.550 55.842 56.400 -0.013 0.000 0.770 815 E CB 1.898 31.589 29.700 -0.015 0.000 1.225 815 E HN 0.105 nan 8.360 nan 0.000 0.417 816 I N 3.838 124.368 120.570 -0.067 0.000 2.418 816 I HA 0.341 4.511 4.170 -0.000 0.000 0.287 816 I C -0.340 175.706 176.117 -0.117 0.000 1.008 816 I CA -0.691 60.547 61.300 -0.104 0.000 1.104 816 I CB 1.807 39.727 38.000 -0.133 0.000 1.264 816 I HN 0.238 nan 8.210 nan 0.000 0.438 817 K N 7.421 127.753 120.400 -0.113 0.000 2.213 817 K HA 0.660 4.980 4.320 -0.000 0.000 0.270 817 K C -1.151 175.361 176.600 -0.148 0.000 1.002 817 K CA -0.490 55.719 56.287 -0.130 0.000 0.868 817 K CB 1.138 33.559 32.500 -0.131 0.000 1.093 817 K HN 0.541 nan 8.250 nan 0.000 0.454 818 I N 6.070 126.539 120.570 -0.168 0.000 2.406 818 I HA 0.301 4.471 4.170 -0.000 0.000 0.290 818 I C -0.596 175.415 176.117 -0.176 0.000 0.999 818 I CA -0.880 60.315 61.300 -0.176 0.000 1.124 818 I CB 1.427 39.287 38.000 -0.232 0.000 1.289 818 I HN 0.374 nan 8.210 nan 0.000 0.441 819 L N 5.184 126.247 121.223 -0.267 0.000 2.325 819 L HA 0.646 4.986 4.340 -0.000 0.000 0.278 819 L C 0.915 177.602 176.870 -0.305 0.000 1.023 819 L CA -0.682 53.904 54.840 -0.424 0.000 0.811 819 L CB 1.630 43.122 42.059 -0.946 0.000 1.249 819 L HN 0.935 nan 8.230 nan 0.000 0.431 820 G N 1.061 109.858 108.800 -0.005 0.000 2.225 820 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.264 820 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.264 820 G C -0.015 174.967 174.900 0.137 0.000 1.060 820 G CA 0.420 45.662 45.100 0.237 0.000 0.833 820 G HN 0.693 nan 8.290 nan 0.000 0.498 821 T N -0.540 114.085 114.554 0.117 0.000 2.876 821 T HA 0.565 4.915 4.350 -0.000 0.000 0.289 821 T C 0.104 174.896 174.700 0.153 0.000 1.014 821 T CA -0.580 61.587 62.100 0.112 0.000 0.986 821 T CB 1.339 70.255 68.868 0.081 0.000 1.021 821 T HN 0.178 nan 8.240 nan 0.000 0.458 822 E N 1.931 122.136 120.200 0.008 0.000 2.369 822 E HA 0.142 4.491 4.350 -0.000 0.000 0.255 822 E C 0.103 176.598 176.600 -0.175 0.000 1.172 822 E CA -0.382 55.994 56.400 -0.040 0.000 0.932 822 E CB 0.506 30.090 29.700 -0.194 0.000 1.040 822 E HN 0.733 nan 8.360 nan 0.000 0.454 823 E N 2.129 121.984 120.200 -0.575 0.000 2.498 823 E HA 0.008 4.358 4.350 -0.000 0.000 0.252 823 E C -2.160 174.240 176.600 -0.334 0.000 1.025 823 E CA -1.199 54.576 56.400 -1.041 0.000 0.938 823 E CB 0.291 29.479 29.700 -0.853 0.000 0.947 823 E HN -0.013 nan 8.360 nan 0.000 0.478 824 P HA 0.066 nan 4.420 nan 0.000 0.280 824 P C -1.295 175.887 177.300 -0.198 0.000 1.244 824 P CA -0.321 62.576 63.100 -0.340 0.000 0.784 824 P CB 1.441 32.764 31.700 -0.628 0.000 0.913 825 S N 1.450 117.095 115.700 -0.092 0.000 2.568 825 S HA 0.502 4.972 4.470 -0.000 0.000 0.293 825 S C -0.311 174.294 174.600 0.008 0.000 1.089 825 S CA -0.749 57.423 58.200 -0.047 0.000 0.945 825 S CB 0.624 63.800 63.200 -0.040 0.000 1.077 825 S HN 0.384 nan 8.310 nan 0.000 0.485 826 N N -0.065 118.639 118.700 0.006 0.000 2.696 826 N HA -0.109 4.630 4.740 -0.000 0.000 0.256 826 N C -0.650 174.892 175.510 0.052 0.000 1.031 826 N CA 0.550 53.612 53.050 0.020 0.000 0.730 826 N CB -1.613 36.880 38.487 0.011 0.000 0.894 826 N HN 0.623 nan 8.380 nan 0.000 0.544 827 V N 0.663 120.615 119.914 0.064 0.000 2.572 827 V HA 0.230 4.350 4.120 -0.000 0.000 0.291 827 V C 1.045 177.188 176.094 0.082 0.000 1.039 827 V CA 0.239 62.607 62.300 0.113 0.000 1.055 827 V CB 1.419 33.290 31.823 0.080 0.000 0.969 827 V HN 0.357 nan 8.190 nan 0.000 0.482 828 T N 4.130 118.743 114.554 0.097 0.000 2.887 828 T HA 0.646 4.996 4.350 -0.000 0.000 0.288 828 T C -0.569 174.186 174.700 0.091 0.000 1.021 828 T CA -0.555 61.588 62.100 0.072 0.000 1.000 828 T CB 1.966 70.863 68.868 0.049 0.000 1.034 828 T HN 0.320 nan 8.240 nan 0.000 0.467 829 V N 2.925 122.892 119.914 0.088 0.000 2.409 829 V HA 0.478 4.597 4.120 -0.000 0.000 0.291 829 V C -0.240 175.947 176.094 0.156 0.000 1.020 829 V CA -0.851 61.522 62.300 0.122 0.000 0.848 829 V CB 1.523 33.400 31.823 0.089 0.000 0.990 829 V HN 0.730 nan 8.190 nan 0.000 0.430 830 K N 3.109 123.623 120.400 0.191 0.000 2.207 830 K HA 0.518 4.838 4.320 -0.000 0.000 0.255 830 K C -0.835 175.932 176.600 0.278 0.000 0.941 830 K CA -0.736 55.659 56.287 0.181 0.000 0.825 830 K CB 2.125 34.682 32.500 0.095 0.000 1.119 830 K HN 0.804 nan 8.250 nan 0.000 0.430 831 H N 3.722 122.841 119.070 0.083 0.000 2.551 831 H HA 0.138 4.694 4.556 -0.000 0.000 0.321 831 H C -0.470 174.792 175.328 -0.109 0.000 1.028 831 H CA -0.302 55.688 56.048 -0.097 0.000 1.215 831 H CB 0.619 30.342 29.762 -0.066 0.000 1.414 831 H HN 0.685 nan 8.280 nan 0.000 0.480 832 N N 3.884 122.357 118.700 -0.379 0.000 2.716 832 N HA -0.218 4.521 4.740 -0.000 0.000 0.250 832 N C 1.118 176.542 175.510 -0.143 0.000 1.033 832 N CA 1.317 54.194 53.050 -0.290 0.000 0.727 832 N CB -1.106 37.140 38.487 -0.402 0.000 0.950 832 N HN 1.092 nan 8.380 nan 0.000 0.541 833 G N -2.344 106.414 108.800 -0.070 0.000 2.267 833 G HA2 -0.369 3.590 3.960 -0.000 0.000 0.257 833 G HA3 -0.369 3.590 3.960 -0.000 0.000 0.257 833 G C 0.133 175.026 174.900 -0.012 0.000 0.998 833 G CA 0.401 45.481 45.100 -0.032 0.000 0.620 833 G HN 0.448 nan 8.290 nan 0.000 0.529 834 V N 3.355 123.260 119.914 -0.015 0.000 2.408 834 V HA 0.422 4.542 4.120 -0.000 0.000 0.267 834 V C -1.555 174.574 176.094 0.060 0.000 1.047 834 V CA -1.273 61.035 62.300 0.014 0.000 0.937 834 V CB 1.197 33.023 31.823 0.005 0.000 0.999 834 V HN 0.171 nan 8.190 nan 0.000 0.472 835 P HA 0.405 nan 4.420 nan 0.000 0.275 835 P C -0.227 177.113 177.300 0.068 0.000 1.227 835 P CA 0.210 63.350 63.100 0.067 0.000 0.781 835 P CB 1.182 32.908 31.700 0.044 0.000 0.906 839 S N 4.840 120.547 115.700 0.011 0.000 2.707 839 S HA 0.792 5.262 4.470 -0.000 0.000 0.303 839 S C -2.650 171.951 174.600 0.002 0.000 1.132 839 S CA -0.949 57.258 58.200 0.011 0.000 1.046 839 S CB 1.064 64.269 63.200 0.009 0.000 1.004 839 S HN 0.843 nan 8.310 nan 0.000 0.483 840 P HA 0.347 nan 4.420 nan 0.000 0.276 840 P C -0.633 176.658 177.300 -0.016 0.000 1.252 840 P CA -0.357 62.735 63.100 -0.013 0.000 0.802 840 P CB 0.486 32.175 31.700 -0.018 0.000 1.035 841 T N 0.381 114.922 114.554 -0.022 0.000 2.869 841 T HA 0.342 4.692 4.350 -0.000 0.000 0.295 841 T C -0.014 174.666 174.700 -0.032 0.000 0.987 841 T CA -0.223 61.863 62.100 -0.023 0.000 1.109 841 T CB 0.432 69.287 68.868 -0.021 0.000 0.932 841 T HN 0.134 nan 8.240 nan 0.000 0.518 842 V N 3.686 123.582 119.914 -0.029 0.000 2.531 842 V HA 0.433 4.553 4.120 -0.000 0.000 0.301 842 V C 0.100 176.188 176.094 -0.009 0.000 1.034 842 V CA -0.870 61.408 62.300 -0.037 0.000 0.865 842 V CB 2.037 33.825 31.823 -0.058 0.000 0.995 842 V HN 0.975 nan 8.190 nan 0.000 0.424 843 T N 4.659 119.211 114.554 -0.003 0.000 2.794 843 T HA 0.562 4.912 4.350 -0.000 0.000 0.280 843 T C -1.195 173.551 174.700 0.077 0.000 0.987 843 T CA -0.296 61.814 62.100 0.018 0.000 0.993 843 T CB 1.069 69.928 68.868 -0.016 0.000 0.939 843 T HN 0.533 nan 8.240 nan 0.000 0.449 844 Y N 2.466 122.729 120.300 -0.061 0.000 2.350 844 Y HA 0.396 4.946 4.550 -0.000 0.000 0.338 844 Y C -0.816 175.055 175.900 -0.048 0.000 0.961 844 Y CA -1.567 56.497 58.100 -0.060 0.000 1.100 844 Y CB 1.339 39.769 38.460 -0.051 0.000 1.179 844 Y HN 0.515 nan 8.280 nan 0.000 0.454 845 D N 3.380 123.390 120.400 -0.650 0.000 2.428 845 D HA 0.114 4.754 4.640 -0.000 0.000 0.221 845 D C 0.742 176.466 176.300 -0.959 0.000 1.123 845 D CA 0.218 53.870 54.000 -0.580 0.000 0.869 845 D CB 1.255 41.850 40.800 -0.341 0.000 1.032 845 D HN 0.706 nan 8.370 nan 0.000 0.506 846 S N 2.961 118.264 115.700 -0.661 0.000 2.423 846 S HA -0.169 4.301 4.470 -0.000 0.000 0.231 846 S C 1.555 176.045 174.600 -0.184 0.000 1.014 846 S CA 0.524 58.515 58.200 -0.347 0.000 0.965 846 S CB -0.109 63.099 63.200 0.014 0.000 0.785 846 S HN 0.635 nan 8.310 nan 0.000 0.495 847 N N 0.739 119.333 118.700 -0.176 0.000 2.207 847 N HA -0.025 4.715 4.740 -0.000 0.000 0.182 847 N C 1.267 176.712 175.510 -0.108 0.000 1.020 847 N CA 0.942 53.927 53.050 -0.108 0.000 0.858 847 N CB -0.099 38.335 38.487 -0.089 0.000 0.991 847 N HN 0.287 nan 8.380 nan 0.000 0.427 848 L N 1.457 122.590 121.223 -0.150 0.000 2.509 848 L HA 0.159 4.498 4.340 -0.000 0.000 0.222 848 L C 0.480 177.297 176.870 -0.089 0.000 1.123 848 L CA 0.772 55.547 54.840 -0.108 0.000 0.856 848 L CB -0.369 41.620 42.059 -0.117 0.000 0.985 848 L HN 0.097 nan 8.230 nan 0.000 0.456 849 K N -0.454 119.849 120.400 -0.162 0.000 3.125 849 K HA -0.128 4.192 4.320 -0.000 0.000 0.268 849 K C -0.624 175.959 176.600 -0.029 0.000 1.078 849 K CA 0.250 56.503 56.287 -0.056 0.000 0.775 849 K CB -2.534 30.015 32.500 0.081 0.000 1.253 849 K HN 0.103 nan 8.250 nan 0.000 0.486 850 V N 0.253 120.053 119.914 -0.189 0.000 2.417 850 V HA 0.687 4.807 4.120 -0.000 0.000 0.291 850 V C 0.413 176.478 176.094 -0.048 0.000 1.024 850 V CA -0.649 61.582 62.300 -0.115 0.000 0.861 850 V CB 1.923 33.657 31.823 -0.149 0.000 0.985 850 V HN 0.389 nan 8.190 nan 0.000 0.436 851 A N 6.107 128.950 122.820 0.038 0.000 2.330 851 A HA 0.894 5.214 4.320 -0.000 0.000 0.327 851 A C -0.720 176.821 177.584 -0.072 0.000 1.155 851 A CA -0.535 51.535 52.037 0.055 0.000 0.803 851 A CB 0.732 19.718 19.000 -0.023 0.000 1.208 851 A HN 0.780 nan 8.150 nan 0.000 0.477 852 I N 3.234 123.765 120.570 -0.064 0.000 2.389 852 I HA 0.320 4.490 4.170 -0.000 0.000 0.288 852 I C -0.733 175.332 176.117 -0.087 0.000 0.999 852 I CA -0.262 60.986 61.300 -0.087 0.000 1.129 852 I CB 1.565 39.519 38.000 -0.076 0.000 1.288 852 I HN 0.509 nan 8.210 nan 0.000 0.444 853 I N 5.582 126.088 120.570 -0.107 0.000 2.331 853 I HA 0.403 4.573 4.170 -0.000 0.000 0.292 853 I C 0.273 176.349 176.117 -0.068 0.000 0.998 853 I CA 0.060 61.304 61.300 -0.094 0.000 1.267 853 I CB 1.656 39.586 38.000 -0.118 0.000 1.386 853 I HN 0.526 nan 8.210 nan 0.000 0.476 854 T N 2.795 117.318 114.554 -0.052 0.000 2.778 854 T HA 0.237 4.587 4.350 -0.000 0.000 0.293 854 T C -0.642 174.036 174.700 -0.036 0.000 1.144 854 T CA -0.176 61.899 62.100 -0.041 0.000 1.010 854 T CB 1.305 70.151 68.868 -0.038 0.000 1.325 854 T HN 0.734 nan 8.240 nan 0.000 0.515 855 D N 0.709 121.090 120.400 -0.031 0.000 2.689 855 D HA -0.150 4.490 4.640 -0.000 0.000 0.237 855 D C -0.644 175.637 176.300 -0.032 0.000 1.148 855 D CA 0.844 54.827 54.000 -0.028 0.000 0.656 855 D CB -1.147 39.640 40.800 -0.022 0.000 1.050 855 D HN 0.491 nan 8.370 nan 0.000 0.426 856 I N -0.162 120.383 120.570 -0.041 0.000 2.934 856 I HA 0.450 4.620 4.170 -0.000 0.000 0.306 856 I C -0.876 175.199 176.117 -0.069 0.000 1.110 856 I CA -0.783 60.483 61.300 -0.057 0.000 1.019 856 I CB 1.957 39.918 38.000 -0.065 0.000 1.227 856 I HN -0.111 nan 8.210 nan 0.000 0.434 857 D N 5.607 125.943 120.400 -0.106 0.000 2.846 857 D HA 0.261 4.901 4.640 -0.000 0.000 0.279 857 D C -1.260 174.927 176.300 -0.187 0.000 1.222 857 D CA -0.218 53.719 54.000 -0.105 0.000 0.769 857 D CB 0.366 41.126 40.800 -0.068 0.000 1.299 857 D HN 0.253 nan 8.370 nan 0.000 0.537 858 L N 2.074 123.142 121.223 -0.258 0.000 2.363 858 L HA 0.307 4.647 4.340 -0.000 0.000 0.286 858 L C 0.687 177.548 176.870 -0.015 0.000 1.106 858 L CA -0.403 54.117 54.840 -0.533 0.000 0.859 858 L CB 0.394 42.114 42.059 -0.565 0.000 1.223 858 L HN 0.110 nan 8.230 nan 0.000 0.446 859 L N 3.838 125.147 121.223 0.144 0.000 2.540 859 L HA -0.003 4.337 4.340 -0.000 0.000 0.276 859 L C 0.393 177.415 176.870 0.253 0.000 1.212 859 L CA -0.326 54.610 54.840 0.161 0.000 0.893 859 L CB 0.576 42.717 42.059 0.136 0.000 1.138 859 L HN 0.447 nan 8.230 nan 0.000 0.491 860 L N 3.800 125.059 121.223 0.060 0.000 2.513 860 L HA 0.229 4.569 4.340 -0.000 0.000 0.272 860 L C 0.993 177.931 176.870 0.112 0.000 1.187 860 L CA 1.500 56.377 54.840 0.061 0.000 0.895 860 L CB 0.470 42.401 42.059 -0.214 0.000 1.147 860 L HN 0.846 nan 8.230 nan 0.000 0.483 861 G N 2.489 111.402 108.800 0.189 0.000 2.175 861 G HA2 -0.174 3.785 3.960 -0.000 0.000 0.244 861 G HA3 -0.174 3.785 3.960 -0.000 0.000 0.244 861 G C 0.130 175.109 174.900 0.132 0.000 0.982 861 G CA 0.032 45.213 45.100 0.135 0.000 0.641 861 G HN 0.561 nan 8.290 nan 0.000 0.527 862 E N 0.065 120.384 120.200 0.198 0.000 2.207 862 E HA 0.684 5.034 4.350 -0.000 0.000 0.270 862 E C 0.258 176.889 176.600 0.052 0.000 0.927 862 E CA -0.044 56.425 56.400 0.116 0.000 0.799 862 E CB 1.848 31.604 29.700 0.094 0.000 1.172 862 E HN 0.730 nan 8.360 nan 0.000 0.404 863 A N 2.796 125.560 122.820 -0.093 0.000 2.328 863 A HA 0.550 4.870 4.320 -0.000 0.000 0.284 863 A C -1.149 176.298 177.584 -0.229 0.000 1.160 863 A CA -0.115 51.881 52.037 -0.068 0.000 0.818 863 A CB 0.057 19.015 19.000 -0.069 0.000 1.087 863 A HN 0.520 nan 8.150 nan 0.000 0.504 864 Y N -0.103 120.289 120.300 0.152 0.000 2.581 864 Y HA 0.576 5.126 4.550 -0.000 0.000 0.345 864 Y C 0.373 176.327 175.900 0.091 0.000 1.036 864 Y CA -0.526 57.660 58.100 0.143 0.000 1.042 864 Y CB 2.636 41.180 38.460 0.140 0.000 1.289 864 Y HN 0.560 nan 8.280 nan 0.000 0.471 865 T N 2.111 116.816 114.554 0.252 0.000 2.824 865 T HA 0.602 4.951 4.350 -0.000 0.000 0.282 865 T C -1.221 173.570 174.700 0.151 0.000 0.993 865 T CA -0.669 61.519 62.100 0.147 0.000 0.967 865 T CB 1.262 70.171 68.868 0.069 0.000 0.960 865 T HN 0.309 nan 8.240 nan 0.000 0.441 866 V N 3.821 123.814 119.914 0.132 0.000 2.407 866 V HA 0.449 4.569 4.120 -0.000 0.000 0.291 866 V C -0.218 175.943 176.094 0.111 0.000 1.018 866 V CA -0.760 61.645 62.300 0.175 0.000 0.842 866 V CB 1.513 33.477 31.823 0.235 0.000 0.996 866 V HN 0.858 nan 8.190 nan 0.000 0.426 867 E N 4.127 124.367 120.200 0.066 0.000 2.256 867 E HA 0.698 5.048 4.350 -0.000 0.000 0.267 867 E C -1.320 175.321 176.600 0.069 0.000 0.892 867 E CA -0.698 55.606 56.400 -0.160 0.000 0.775 867 E CB 2.667 32.270 29.700 -0.161 0.000 1.207 867 E HN 0.706 nan 8.360 nan 0.000 0.420 868 W N 0.655 121.896 121.300 -0.098 0.000 3.018 868 W HA 0.822 5.481 4.660 -0.000 0.000 0.352 868 W C -1.419 174.970 176.519 -0.217 0.000 1.230 868 W CA -0.948 56.303 57.345 -0.158 0.000 1.162 868 W CB 0.468 29.808 29.460 -0.201 0.000 1.483 868 W HN 0.557 nan 8.180 nan 0.000 0.584 869 A N 0.312 123.124 122.820 -0.013 0.000 2.389 869 A HA 0.855 5.175 4.320 -0.000 0.000 0.293 869 A C -1.104 176.336 177.584 -0.239 0.000 1.186 869 A CA -0.677 51.281 52.037 -0.131 0.000 0.828 869 A CB 1.171 20.139 19.000 -0.053 0.000 1.369 869 A HN 0.792 nan 8.150 nan 0.000 0.446 870 H N 0.000 119.122 119.070 0.086 0.000 2.539 870 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 870 H CA 0.000 56.076 56.048 0.047 0.000 1.023 870 H CB 0.000 29.795 29.762 0.054 0.000 1.292 870 H HN 0.000 nan 8.280 nan 0.000 0.496