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 1jz3_1_A DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.088 176.300 -0.353 0.000 0.893 13 R CA 0.000 55.971 56.100 -0.215 0.000 0.921 13 R CB 0.000 30.171 30.300 -0.214 0.000 0.687 14 R N 1.519 121.675 120.500 -0.573 0.000 3.657 14 R HA 0.111 4.459 4.340 0.013 0.000 0.220 14 R C -0.139 175.585 176.300 -0.959 0.000 1.548 14 R CA -0.289 55.015 56.100 -1.326 0.000 1.465 14 R CB 0.144 29.870 30.300 -0.957 0.000 1.330 14 R HN 0.492 nan 8.270 nan 0.000 0.707 15 D N 0.968 121.033 120.400 -0.559 0.000 2.309 15 D HA -0.179 4.469 4.640 0.013 0.000 0.212 15 D C 1.289 177.513 176.300 -0.126 0.000 0.968 15 D CA 1.090 54.870 54.000 -0.368 0.000 0.882 15 D CB 0.154 40.577 40.800 -0.629 0.000 0.918 15 D HN 0.643 nan 8.370 nan 0.000 0.503 16 W N 1.145 122.475 121.300 0.049 0.000 3.292 16 W HA 0.209 4.877 4.660 0.013 0.000 0.263 16 W C 0.440 177.062 176.519 0.171 0.000 1.318 16 W CA -0.295 57.183 57.345 0.221 0.000 1.663 16 W CB -0.205 29.435 29.460 0.300 0.000 1.114 16 W HN -0.204 nan 8.180 nan 0.000 0.706 17 E N 1.298 121.365 120.200 -0.222 0.000 3.385 17 E HA 0.054 4.411 4.350 0.013 0.000 0.206 17 E C -0.735 175.726 176.600 -0.232 0.000 0.997 17 E CA -0.218 56.084 56.400 -0.164 0.000 1.278 17 E CB -0.187 29.396 29.700 -0.196 0.000 1.165 17 E HN 0.032 nan 8.360 nan 0.000 0.452 18 N N 1.033 119.632 118.700 -0.167 0.000 2.664 18 N HA 0.118 4.866 4.740 0.013 0.000 0.268 18 N C -2.389 172.988 175.510 -0.222 0.000 1.222 18 N CA -1.858 51.055 53.050 -0.228 0.000 0.805 18 N CB 1.359 39.719 38.487 -0.211 0.000 1.399 18 N HN -0.161 nan 8.380 nan 0.000 0.547 19 P HA 0.056 nan 4.420 nan 0.000 0.231 19 P C 1.020 178.086 177.300 -0.390 0.000 1.158 19 P CA 0.625 63.409 63.100 -0.526 0.000 0.763 19 P CB 0.082 30.980 31.700 -1.336 0.000 0.805 20 G N -0.651 107.967 108.800 -0.303 0.000 2.880 20 G HA2 0.100 4.067 3.960 0.013 0.000 0.209 20 G HA3 0.100 4.067 3.960 0.013 0.000 0.209 20 G C 0.213 175.036 174.900 -0.128 0.000 1.157 20 G CA 0.132 45.102 45.100 -0.216 0.000 0.779 20 G HN 0.202 nan 8.290 nan 0.000 0.539 21 V N 1.735 121.593 119.914 -0.093 0.000 2.325 21 V HA 0.298 4.425 4.120 0.013 0.000 0.280 21 V C 0.784 176.933 176.094 0.092 0.000 1.016 21 V CA 0.052 62.347 62.300 -0.009 0.000 0.818 21 V CB 1.251 33.054 31.823 -0.033 0.000 1.019 21 V HN 0.313 nan 8.190 nan 0.000 0.434 22 T N 0.678 115.281 114.554 0.081 0.000 3.054 22 T HA 0.384 4.742 4.350 0.013 0.000 0.255 22 T C 0.223 174.972 174.700 0.082 0.000 1.035 22 T CA -0.001 62.155 62.100 0.093 0.000 0.941 22 T CB 0.297 69.174 68.868 0.016 0.000 1.026 22 T HN 0.688 nan 8.240 nan 0.000 0.533 23 Q N 0.252 120.143 119.800 0.151 0.000 2.829 23 Q HA 0.693 5.041 4.340 0.013 0.000 0.296 23 Q C -2.266 173.865 176.000 0.218 0.000 0.893 23 Q CA -1.093 54.797 55.803 0.145 0.000 0.772 23 Q CB 0.884 29.632 28.738 0.017 0.000 1.489 23 Q HN 0.208 nan 8.270 nan 0.000 0.420 24 L N 1.470 122.840 121.223 0.244 0.000 2.470 24 L HA 0.593 4.941 4.340 0.013 0.000 0.268 24 L C -0.671 176.312 176.870 0.189 0.000 0.964 24 L CA -0.865 54.116 54.840 0.236 0.000 0.839 24 L CB 1.976 44.270 42.059 0.391 0.000 1.276 24 L HN 0.849 nan 8.230 nan 0.000 0.403 25 N N 0.716 119.504 118.700 0.145 0.000 2.800 25 N HA -0.208 4.540 4.740 0.013 0.000 0.250 25 N C 0.201 175.817 175.510 0.177 0.000 1.078 25 N CA 0.841 53.973 53.050 0.138 0.000 0.804 25 N CB -0.789 37.730 38.487 0.054 0.000 1.135 25 N HN 0.657 nan 8.380 nan 0.000 0.565 26 R N 0.995 121.532 120.500 0.061 0.000 2.490 26 R HA 0.389 4.737 4.340 0.013 0.000 0.280 26 R C 0.565 176.750 176.300 -0.192 0.000 1.077 26 R CA -0.337 55.594 56.100 -0.281 0.000 1.065 26 R CB 0.523 30.644 30.300 -0.297 0.000 1.003 26 R HN 0.123 nan 8.270 nan 0.000 0.470 27 L N 2.945 124.019 121.223 -0.248 0.000 2.466 27 L HA 0.326 4.674 4.340 0.013 0.000 0.257 27 L C 0.711 177.536 176.870 -0.076 0.000 1.189 27 L CA -0.627 54.155 54.840 -0.097 0.000 0.813 27 L CB 0.570 42.608 42.059 -0.036 0.000 1.118 27 L HN 0.738 nan 8.230 nan 0.000 0.471 28 A N 1.054 123.871 122.820 -0.006 0.000 2.520 28 A HA 0.465 4.793 4.320 0.013 0.000 0.235 28 A C 0.334 177.928 177.584 0.015 0.000 1.065 28 A CA 0.101 52.143 52.037 0.009 0.000 0.764 28 A CB 0.050 19.081 19.000 0.053 0.000 1.002 28 A HN 0.805 nan 8.150 nan 0.000 0.502 29 A N 1.369 124.150 122.820 -0.065 0.000 2.304 29 A HA 0.713 5.041 4.320 0.013 0.000 0.271 29 A C 0.081 177.567 177.584 -0.162 0.000 1.091 29 A CA 0.397 52.311 52.037 -0.205 0.000 0.812 29 A CB 0.029 18.912 19.000 -0.195 0.000 1.056 29 A HN 1.868 nan 8.150 nan 0.000 0.489 30 H N -2.280 116.634 119.070 -0.259 0.000 2.917 30 H HA 0.649 5.213 4.556 0.013 0.000 0.299 30 H C -3.397 171.646 175.328 -0.475 0.000 1.418 30 H CA -1.794 54.039 56.048 -0.357 0.000 1.138 30 H CB 0.066 29.510 29.762 -0.531 0.000 1.830 30 H HN 0.379 nan 8.280 nan 0.000 0.514 31 P HA 0.248 nan 4.420 nan 0.000 0.276 31 P C -2.607 174.540 177.300 -0.255 0.000 1.261 31 P CA -1.571 61.331 63.100 -0.329 0.000 0.800 31 P CB -0.171 31.251 31.700 -0.463 0.000 1.066 32 P HA 0.048 nan 4.420 nan 0.000 0.260 32 P C -0.781 176.735 177.300 0.360 0.000 1.185 32 P CA 1.172 64.325 63.100 0.088 0.000 0.763 32 P CB -0.177 31.606 31.700 0.138 0.000 0.776 33 F N 1.538 121.594 119.950 0.176 0.000 2.556 33 F HA 0.618 5.152 4.527 0.013 0.000 0.327 33 F C 0.996 176.743 175.800 -0.088 0.000 1.059 33 F CA -1.016 57.034 58.000 0.083 0.000 0.953 33 F CB 2.178 41.183 39.000 0.008 0.000 1.227 33 F HN 0.206 nan 8.300 nan 0.000 0.478 34 A N 0.280 123.048 122.820 -0.087 0.000 2.664 34 A HA 0.234 4.562 4.320 0.013 0.000 0.222 34 A C 0.574 177.881 177.584 -0.462 0.000 1.320 34 A CA 0.457 52.215 52.037 -0.465 0.000 1.029 34 A CB -0.105 18.157 19.000 -1.230 0.000 1.318 34 A HN 0.761 nan 8.150 nan 0.000 0.589 35 S N 0.434 115.974 115.700 -0.268 0.000 3.550 35 S HA -0.148 4.330 4.470 0.013 0.000 0.372 35 S C 0.012 174.551 174.600 -0.102 0.000 0.966 35 S CA 0.477 58.573 58.200 -0.173 0.000 1.229 35 S CB -1.607 61.493 63.200 -0.168 0.000 0.917 35 S HN 0.472 nan 8.310 nan 0.000 0.496 36 W N 1.695 122.974 121.300 -0.036 0.000 2.158 36 W HA 0.229 4.896 4.660 0.012 0.000 0.339 36 W C 1.431 177.925 176.519 -0.043 0.000 1.294 36 W CA -0.520 56.807 57.345 -0.029 0.000 1.231 36 W CB 0.233 29.676 29.460 -0.028 0.000 1.143 36 W HN 0.359 nan 8.180 nan 0.000 0.571 37 R N 1.683 122.300 120.500 0.195 0.000 2.472 37 R HA 0.080 4.428 4.340 0.013 0.000 0.279 37 R C -0.004 176.343 176.300 0.078 0.000 0.953 37 R CA -0.088 56.069 56.100 0.095 0.000 1.088 37 R CB -0.024 30.301 30.300 0.041 0.000 1.197 37 R HN 0.354 nan 8.270 nan 0.000 0.536 38 N N 0.120 118.878 118.700 0.096 0.000 2.397 38 N HA 0.119 4.867 4.740 0.013 0.000 0.291 38 N C -0.112 175.363 175.510 -0.059 0.000 1.065 38 N CA -0.048 53.012 53.050 0.015 0.000 0.884 38 N CB 1.980 40.478 38.487 0.018 0.000 1.551 38 N HN -0.268 nan 8.380 nan 0.000 0.487 39 S N 2.265 117.906 115.700 -0.098 0.000 2.402 39 S HA -0.147 4.330 4.470 0.013 0.000 0.229 39 S C 1.371 175.790 174.600 -0.302 0.000 1.021 39 S CA 1.055 59.151 58.200 -0.174 0.000 0.974 39 S CB 0.017 63.145 63.200 -0.118 0.000 0.800 39 S HN 0.755 nan 8.310 nan 0.000 0.484 40 E N 1.641 121.685 120.200 -0.260 0.000 2.150 40 E HA -0.123 4.235 4.350 0.013 0.000 0.193 40 E C 1.813 178.193 176.600 -0.366 0.000 0.985 40 E CA 1.040 57.249 56.400 -0.320 0.000 0.814 40 E CB -0.139 29.433 29.700 -0.213 0.000 0.752 40 E HN 0.235 nan 8.360 nan 0.000 0.466 41 E N 0.130 120.130 120.200 -0.334 0.000 2.106 41 E HA -0.107 4.251 4.350 0.013 0.000 0.192 41 E C 1.933 177.955 176.600 -0.964 0.000 0.984 41 E CA 1.147 57.313 56.400 -0.389 0.000 0.806 41 E CB -0.475 29.146 29.700 -0.131 0.000 0.750 41 E HN 0.389 nan 8.360 nan 0.000 0.458 42 A N 1.296 123.344 122.820 -1.286 0.000 1.897 42 A HA -0.149 4.178 4.320 0.013 0.000 0.215 42 A C 2.231 179.209 177.584 -1.010 0.000 1.181 42 A CA 1.433 52.352 52.037 -1.862 0.000 0.620 42 A CB -0.421 18.000 19.000 -0.965 0.000 0.821 42 A HN 0.121 nan 8.150 nan 0.000 0.443 43 R N -0.056 120.032 120.500 -0.687 0.000 2.083 43 R HA -0.149 4.199 4.340 0.013 0.000 0.237 43 R C 2.098 178.132 176.300 -0.442 0.000 1.137 43 R CA 2.199 57.954 56.100 -0.576 0.000 0.951 43 R CB -0.565 29.282 30.300 -0.756 0.000 0.851 43 R HN 0.624 nan 8.270 nan 0.000 0.434 44 T N -2.319 111.996 114.554 -0.400 0.000 3.160 44 T HA -0.018 4.339 4.350 0.013 0.000 0.257 44 T C 0.401 175.009 174.700 -0.154 0.000 1.147 44 T CA 0.748 62.706 62.100 -0.237 0.000 1.064 44 T CB -0.078 68.680 68.868 -0.183 0.000 0.949 44 T HN 0.403 nan 8.240 nan 0.000 0.526 45 D N 0.605 120.871 120.400 -0.223 0.000 2.945 45 D HA -0.159 4.488 4.640 0.013 0.000 0.225 45 D C 0.133 176.539 176.300 0.178 0.000 1.158 45 D CA 0.475 54.491 54.000 0.027 0.000 0.805 45 D CB -1.096 39.770 40.800 0.110 0.000 1.098 45 D HN 0.600 nan 8.370 nan 0.000 0.426 46 R N 0.011 120.577 120.500 0.110 0.000 2.649 46 R HA 0.481 4.829 4.340 0.013 0.000 0.270 46 R C -2.057 174.500 176.300 0.427 0.000 1.105 46 R CA -1.254 54.968 56.100 0.204 0.000 1.193 46 R CB 0.115 30.478 30.300 0.105 0.000 1.120 46 R HN 0.076 nan 8.270 nan 0.000 0.561 47 P HA -0.020 nan 4.420 nan 0.000 0.269 47 P C -0.808 176.648 177.300 0.261 0.000 1.215 47 P CA 0.014 63.256 63.100 0.235 0.000 0.780 47 P CB 0.763 32.548 31.700 0.142 0.000 0.898 48 S N 1.011 116.737 115.700 0.045 0.000 2.454 48 S HA 0.129 4.607 4.470 0.013 0.000 0.306 48 S C 0.931 175.536 174.600 0.008 0.000 1.100 48 S CA -0.543 57.606 58.200 -0.085 0.000 1.087 48 S CB 0.481 63.314 63.200 -0.610 0.000 1.019 48 S HN 0.247 nan 8.310 nan 0.000 0.480 49 Q N 2.529 122.372 119.800 0.071 0.000 2.364 49 Q HA -0.054 4.293 4.340 0.013 0.000 0.207 49 Q C 0.740 176.853 176.000 0.187 0.000 0.970 49 Q CA 1.173 57.053 55.803 0.129 0.000 0.888 49 Q CB 0.002 28.814 28.738 0.125 0.000 0.951 49 Q HN 0.706 nan 8.270 nan 0.000 0.469 50 Q N -0.356 119.468 119.800 0.041 0.000 2.360 50 Q HA 0.114 4.461 4.340 0.013 0.000 0.202 50 Q C -0.311 175.729 176.000 0.067 0.000 0.915 50 Q CA 0.128 55.900 55.803 -0.051 0.000 0.943 50 Q CB 0.444 29.064 28.738 -0.195 0.000 1.064 50 Q HN 0.021 nan 8.270 nan 0.000 0.511 51 L N 0.705 121.987 121.223 0.098 0.000 2.388 51 L HA 0.450 4.797 4.340 0.013 0.000 0.267 51 L C -1.124 175.827 176.870 0.136 0.000 0.995 51 L CA -0.350 54.544 54.840 0.090 0.000 0.864 51 L CB 0.933 42.955 42.059 -0.061 0.000 1.216 51 L HN -0.108 nan 8.230 nan 0.000 0.430 52 R N 2.099 122.715 120.500 0.193 0.000 2.720 52 R HA 0.661 5.009 4.340 0.013 0.000 0.272 52 R C -0.591 175.731 176.300 0.037 0.000 0.991 52 R CA -0.794 55.366 56.100 0.101 0.000 1.010 52 R CB 1.982 32.308 30.300 0.044 0.000 1.141 52 R HN 0.615 nan 8.270 nan 0.000 0.494 53 S N 1.217 116.928 115.700 0.017 0.000 2.508 53 S HA 0.296 4.774 4.470 0.013 0.000 0.284 53 S C 0.540 175.133 174.600 -0.012 0.000 1.192 53 S CA -0.675 57.525 58.200 0.001 0.000 1.070 53 S CB 0.590 63.803 63.200 0.021 0.000 1.004 53 S HN 0.540 nan 8.310 nan 0.000 0.493 54 L N 3.525 124.734 121.223 -0.023 0.000 2.667 54 L HA 0.275 4.622 4.340 0.013 0.000 0.232 54 L C 0.211 177.207 176.870 0.210 0.000 1.138 54 L CA -0.272 54.567 54.840 -0.001 0.000 0.921 54 L CB -0.286 41.702 42.059 -0.119 0.000 1.180 54 L HN 0.535 nan 8.230 nan 0.000 0.487 55 N N 1.082 119.864 118.700 0.137 0.000 2.453 55 N HA 0.432 5.180 4.740 0.013 0.000 0.253 55 N C 0.643 176.283 175.510 0.216 0.000 1.252 55 N CA 1.046 54.191 53.050 0.160 0.000 0.917 55 N CB 1.190 39.706 38.487 0.048 0.000 1.117 55 N HN 0.287 nan 8.380 nan 0.000 0.442 56 G N 0.355 109.304 108.800 0.248 0.000 2.292 56 G HA2 -0.081 3.886 3.960 0.013 0.000 0.194 56 G HA3 -0.081 3.886 3.960 0.013 0.000 0.194 56 G C -1.479 173.632 174.900 0.351 0.000 1.329 56 G CA -0.789 44.448 45.100 0.228 0.000 1.100 56 G HN 0.468 nan 8.290 nan 0.000 0.470 57 E N 0.135 120.510 120.200 0.292 0.000 2.194 57 E HA 0.467 4.825 4.350 0.013 0.000 0.284 57 E C -0.992 175.847 176.600 0.398 0.000 1.035 57 E CA -0.133 56.447 56.400 0.299 0.000 0.836 57 E CB 0.885 30.681 29.700 0.161 0.000 1.070 57 E HN 0.353 nan 8.360 nan 0.000 0.401 58 W N 1.768 123.154 121.300 0.144 0.000 2.894 58 W HA 0.421 5.089 4.660 0.013 0.000 0.345 58 W C -0.011 176.631 176.519 0.205 0.000 1.152 58 W CA -0.744 56.718 57.345 0.195 0.000 1.089 58 W CB 0.861 30.491 29.460 0.284 0.000 1.454 58 W HN 0.181 nan 8.180 nan 0.000 0.589 59 R N 1.560 122.340 120.500 0.465 0.000 2.407 59 R HA 0.593 4.941 4.340 0.013 0.000 0.303 59 R C -1.487 175.056 176.300 0.406 0.000 0.981 59 R CA -0.863 55.445 56.100 0.346 0.000 0.905 59 R CB 1.376 31.826 30.300 0.249 0.000 1.099 59 R HN 0.476 nan 8.270 nan 0.000 0.459 60 F N 0.529 120.516 119.950 0.062 0.000 2.591 60 F HA 0.659 5.193 4.527 0.013 0.000 0.309 60 F C -1.526 174.123 175.800 -0.250 0.000 1.098 60 F CA -0.669 57.227 58.000 -0.173 0.000 0.937 60 F CB 2.065 40.842 39.000 -0.373 0.000 1.250 60 F HN 0.612 nan 8.300 nan 0.000 0.447 61 A N 4.407 126.517 122.820 -1.184 0.000 2.422 61 A HA 0.542 4.870 4.320 0.013 0.000 0.302 61 A C -2.365 174.323 177.584 -1.493 0.000 1.041 61 A CA -0.510 50.903 52.037 -1.041 0.000 0.708 61 A CB 0.653 19.325 19.000 -0.547 0.000 1.257 61 A HN 0.962 nan 8.150 nan 0.000 0.414 62 W N 3.062 123.503 121.300 -1.431 0.000 2.417 62 W HA 0.727 5.394 4.660 0.013 0.000 0.317 62 W C -1.764 174.115 176.519 -1.067 0.000 1.121 62 W CA -0.288 56.371 57.345 -1.145 0.000 1.208 62 W CB 0.901 29.945 29.460 -0.693 0.000 1.253 62 W HN 0.496 nan 8.180 nan 0.000 0.533 63 F N 6.383 125.691 119.950 -1.071 0.000 2.577 63 F HA 0.386 4.920 4.527 0.013 0.000 0.318 63 F C -1.285 173.639 175.800 -1.459 0.000 1.065 63 F CA -2.391 55.080 58.000 -0.882 0.000 0.929 63 F CB 1.781 40.408 39.000 -0.623 0.000 1.237 63 F HN 0.218 nan 8.300 nan 0.000 0.468 64 P HA 0.170 nan 4.420 nan 0.000 0.241 64 P C -0.439 176.715 177.300 -0.243 0.000 1.191 64 P CA 0.706 63.512 63.100 -0.491 0.000 0.771 64 P CB 0.724 32.440 31.700 0.026 0.000 0.929 65 A N -0.145 122.545 122.820 -0.217 0.000 2.590 65 A HA 0.492 4.819 4.320 0.013 0.000 0.294 65 A C -2.501 174.974 177.584 -0.181 0.000 1.046 65 A CA -0.885 51.079 52.037 -0.122 0.000 0.684 65 A CB 0.406 19.399 19.000 -0.011 0.000 1.279 65 A HN -0.301 nan 8.150 nan 0.000 0.415 66 P HA -0.084 nan 4.420 nan 0.000 0.220 66 P C 0.708 177.907 177.300 -0.169 0.000 1.148 66 P CA 1.403 64.359 63.100 -0.241 0.000 0.803 66 P CB 0.260 31.776 31.700 -0.307 0.000 0.782 67 E N 0.055 120.216 120.200 -0.065 0.000 2.338 67 E HA -0.027 4.330 4.350 0.013 0.000 0.197 67 E C 1.953 178.490 176.600 -0.105 0.000 1.007 67 E CA 1.010 57.385 56.400 -0.042 0.000 0.849 67 E CB -0.758 28.954 29.700 0.021 0.000 0.774 67 E HN 0.233 nan 8.360 nan 0.000 0.506 68 A N 0.248 122.974 122.820 -0.156 0.000 2.251 68 A HA 0.110 4.437 4.320 0.013 0.000 0.209 68 A C 0.655 177.979 177.584 -0.434 0.000 1.187 68 A CA -0.149 51.795 52.037 -0.155 0.000 0.823 68 A CB 0.353 19.354 19.000 0.002 0.000 0.846 68 A HN 0.034 nan 8.150 nan 0.000 0.486 69 V N 3.341 122.857 119.914 -0.663 0.000 2.455 69 V HA 0.209 4.337 4.120 0.013 0.000 0.273 69 V C -2.030 173.727 176.094 -0.562 0.000 1.045 69 V CA -1.403 60.254 62.300 -1.072 0.000 0.976 69 V CB 0.708 31.956 31.823 -0.959 0.000 0.993 69 V HN 0.363 nan 8.190 nan 0.000 0.475 70 P HA 0.141 nan 4.420 nan 0.000 0.275 70 P C 0.717 177.954 177.300 -0.106 0.000 1.227 70 P CA -0.295 62.692 63.100 -0.189 0.000 0.781 70 P CB 0.933 32.579 31.700 -0.090 0.000 0.906 71 E N 2.334 122.486 120.200 -0.079 0.000 2.171 71 E HA -0.232 4.125 4.350 0.013 0.000 0.197 71 E C 1.480 178.052 176.600 -0.047 0.000 0.997 71 E CA 1.861 58.221 56.400 -0.067 0.000 0.810 71 E CB -0.118 29.549 29.700 -0.054 0.000 0.738 71 E HN 0.496 nan 8.360 nan 0.000 0.467 72 S N 0.025 115.716 115.700 -0.015 0.000 2.400 72 S HA -0.217 4.260 4.470 0.013 0.000 0.232 72 S C 1.713 176.325 174.600 0.020 0.000 1.025 72 S CA 1.036 59.235 58.200 -0.001 0.000 0.993 72 S CB -1.024 62.186 63.200 0.016 0.000 0.808 72 S HN 0.653 nan 8.310 nan 0.000 0.478 73 W N 2.309 123.508 121.300 -0.169 0.000 2.364 73 W HA -0.003 4.664 4.660 0.013 0.000 0.281 73 W C 1.595 177.991 176.519 -0.205 0.000 1.219 73 W CA 1.098 58.340 57.345 -0.171 0.000 1.220 73 W CB -0.307 29.022 29.460 -0.218 0.000 1.127 73 W HN 0.295 nan 8.180 nan 0.000 0.556 74 L N 0.205 121.195 121.223 -0.388 0.000 2.141 74 L HA -0.140 4.208 4.340 0.013 0.000 0.209 74 L C 2.435 179.072 176.870 -0.388 0.000 1.094 74 L CA 1.186 55.642 54.840 -0.640 0.000 0.763 74 L CB -0.709 41.000 42.059 -0.583 0.000 0.908 74 L HN -0.046 nan 8.230 nan 0.000 0.437 75 E N -0.717 119.346 120.200 -0.229 0.000 2.216 75 E HA 0.022 4.380 4.350 0.013 0.000 0.192 75 E C 0.546 177.076 176.600 -0.117 0.000 0.973 75 E CA 0.613 56.932 56.400 -0.135 0.000 0.851 75 E CB 0.603 30.257 29.700 -0.077 0.000 0.804 75 E HN 0.522 nan 8.360 nan 0.000 0.477 76 C N -0.440 118.795 119.300 -0.108 0.000 3.239 76 C HA 0.508 4.976 4.460 0.013 0.000 0.317 76 C C -0.378 174.599 174.990 -0.022 0.000 1.310 76 C CA -1.443 57.536 59.018 -0.065 0.000 1.371 76 C CB 1.099 28.822 27.740 -0.030 0.000 1.714 76 C HN 0.112 nan 8.230 nan 0.000 0.473 77 D N 0.630 121.034 120.400 0.007 0.000 2.472 77 D HA 0.336 4.984 4.640 0.013 0.000 0.237 77 D C -0.236 176.131 176.300 0.111 0.000 1.141 77 D CA 0.271 54.318 54.000 0.078 0.000 0.875 77 D CB 0.540 41.378 40.800 0.063 0.000 1.192 77 D HN 0.597 nan 8.370 nan 0.000 0.450 78 L N 5.758 127.088 121.223 0.179 0.000 2.313 78 L HA 0.233 4.580 4.340 0.013 0.000 0.282 78 L C -1.314 175.610 176.870 0.090 0.000 1.092 78 L CA -1.455 53.470 54.840 0.142 0.000 0.831 78 L CB 1.139 43.295 42.059 0.161 0.000 1.159 78 L HN 0.512 nan 8.230 nan 0.000 0.442 79 P HA -0.203 nan 4.420 nan 0.000 0.218 79 P C 0.942 178.265 177.300 0.038 0.000 1.148 79 P CA 1.056 64.184 63.100 0.046 0.000 0.822 79 P CB 0.104 31.826 31.700 0.036 0.000 0.784 80 E N -0.474 119.744 120.200 0.030 0.000 2.489 80 E HA 0.121 4.479 4.350 0.013 0.000 0.193 80 E C 0.558 177.161 176.600 0.005 0.000 1.057 80 E CA -0.153 56.253 56.400 0.011 0.000 0.866 80 E CB -0.452 29.241 29.700 -0.013 0.000 0.916 80 E HN 0.016 nan 8.360 nan 0.000 0.500 81 A N 1.170 124.005 122.820 0.025 0.000 2.429 81 A HA 0.159 4.487 4.320 0.013 0.000 0.242 81 A C -0.170 177.457 177.584 0.072 0.000 1.088 81 A CA -0.027 52.025 52.037 0.024 0.000 0.784 81 A CB 0.300 19.345 19.000 0.075 0.000 1.038 81 A HN 0.157 nan 8.150 nan 0.000 0.501 82 D N -0.523 119.949 120.400 0.120 0.000 2.340 82 D HA 0.528 5.176 4.640 0.013 0.000 0.243 82 D C -0.668 175.742 176.300 0.183 0.000 0.988 82 D CA 0.000 54.099 54.000 0.164 0.000 0.959 82 D CB 1.529 42.486 40.800 0.262 0.000 1.226 82 D HN 0.386 nan 8.370 nan 0.000 0.509 83 T N 0.574 115.217 114.554 0.148 0.000 2.767 83 T HA 0.521 4.878 4.350 0.013 0.000 0.288 83 T C 0.084 174.869 174.700 0.142 0.000 0.963 83 T CA -0.531 61.664 62.100 0.159 0.000 1.019 83 T CB 0.702 69.640 68.868 0.117 0.000 0.923 83 T HN 0.258 nan 8.240 nan 0.000 0.468 84 V N 1.221 121.247 119.914 0.187 0.000 3.130 84 V HA 0.785 4.913 4.120 0.013 0.000 0.310 84 V C -0.301 175.900 176.094 0.179 0.000 1.158 84 V CA -1.063 61.304 62.300 0.113 0.000 1.029 84 V CB 1.667 33.564 31.823 0.122 0.000 1.057 84 V HN 0.518 nan 8.190 nan 0.000 0.436 85 V N 2.132 122.123 119.914 0.127 0.000 2.583 85 V HA 0.492 4.620 4.120 0.013 0.000 0.287 85 V C 0.057 176.217 176.094 0.110 0.000 1.051 85 V CA -0.009 62.369 62.300 0.130 0.000 1.010 85 V CB 1.410 33.276 31.823 0.072 0.000 0.988 85 V HN 0.753 nan 8.190 nan 0.000 0.478 86 V N 7.198 127.105 119.914 -0.013 0.000 2.656 86 V HA 0.469 4.596 4.120 0.013 0.000 0.307 86 V C -2.241 173.729 176.094 -0.206 0.000 1.051 86 V CA -1.698 60.445 62.300 -0.262 0.000 0.893 86 V CB 2.543 33.805 31.823 -0.935 0.000 0.999 86 V HN 0.769 nan 8.190 nan 0.000 0.426 87 P HA 0.423 nan 4.420 nan 0.000 0.274 87 P C -0.816 176.412 177.300 -0.120 0.000 1.231 87 P CA -0.054 62.919 63.100 -0.211 0.000 0.790 87 P CB 1.402 32.990 31.700 -0.187 0.000 0.951 88 S N 0.300 115.942 115.700 -0.096 0.000 2.611 88 S HA 0.377 4.854 4.470 0.013 0.000 0.270 88 S C -1.360 173.174 174.600 -0.109 0.000 1.131 88 S CA -1.041 57.089 58.200 -0.117 0.000 0.826 88 S CB 0.339 63.448 63.200 -0.152 0.000 1.095 88 S HN 0.381 nan 8.310 nan 0.000 0.461 89 N N 1.041 119.606 118.700 -0.226 0.000 2.424 89 N HA 0.427 5.175 4.740 0.013 0.000 0.271 89 N C 0.539 175.863 175.510 -0.311 0.000 0.985 89 N CA -0.836 52.054 53.050 -0.267 0.000 0.921 89 N CB 0.742 39.041 38.487 -0.312 0.000 1.149 89 N HN 0.849 nan 8.380 nan 0.000 0.492 90 W N 2.707 123.851 121.300 -0.260 0.000 2.364 90 W HA -0.118 4.550 4.660 0.013 0.000 0.281 90 W C 1.062 177.533 176.519 -0.079 0.000 1.219 90 W CA 0.835 58.026 57.345 -0.256 0.000 1.220 90 W CB -0.361 28.947 29.460 -0.252 0.000 1.127 90 W HN 0.505 nan 8.180 nan 0.000 0.556 91 Q N 0.512 120.262 119.800 -0.083 0.000 2.170 91 Q HA -0.150 4.198 4.340 0.013 0.000 0.203 91 Q C 2.185 178.111 176.000 -0.123 0.000 0.976 91 Q CA 2.090 57.847 55.803 -0.077 0.000 0.858 91 Q CB -0.605 27.967 28.738 -0.278 0.000 0.907 91 Q HN 0.281 nan 8.270 nan 0.000 0.433 92 M N -0.812 118.671 119.600 -0.195 0.000 2.549 92 M HA -0.075 4.412 4.480 0.013 0.000 0.260 92 M C 0.662 176.999 176.300 0.062 0.000 1.076 92 M CA 1.432 56.650 55.300 -0.138 0.000 1.090 92 M CB -0.653 31.849 32.600 -0.165 0.000 1.418 92 M HN 0.379 nan 8.290 nan 0.000 0.486 93 H N -0.924 118.152 119.070 0.009 0.000 2.586 93 H HA 0.306 4.870 4.556 0.013 0.000 0.273 93 H C 1.322 176.533 175.328 -0.194 0.000 0.997 93 H CA 0.084 56.114 56.048 -0.030 0.000 1.177 93 H CB 0.417 30.250 29.762 0.118 0.000 1.471 93 H HN 0.558 nan 8.280 nan 0.000 0.538 94 G N 0.547 109.334 108.800 -0.021 0.000 2.176 94 G HA2 -0.375 3.593 3.960 0.013 0.000 0.253 94 G HA3 -0.375 3.593 3.960 0.013 0.000 0.253 94 G C 0.472 175.233 174.900 -0.232 0.000 0.979 94 G CA 0.354 45.368 45.100 -0.142 0.000 0.641 94 G HN 0.471 nan 8.290 nan 0.000 0.530 95 Y N 1.750 122.067 120.300 0.027 0.000 2.293 95 Y HA 0.248 4.805 4.550 0.013 0.000 0.291 95 Y C 1.706 177.389 175.900 -0.362 0.000 1.137 95 Y CA 1.637 59.641 58.100 -0.160 0.000 1.202 95 Y CB 0.159 38.595 38.460 -0.040 0.000 0.990 95 Y HN 0.656 nan 8.280 nan 0.000 0.537 96 D N -2.008 118.453 120.400 0.101 0.000 2.692 96 D HA 0.491 5.139 4.640 0.013 0.000 0.303 96 D C -1.221 175.152 176.300 0.121 0.000 1.278 96 D CA -0.852 53.205 54.000 0.095 0.000 0.852 96 D CB 0.752 41.731 40.800 0.300 0.000 1.375 96 D HN -0.047 nan 8.370 nan 0.000 0.453 97 A N 0.012 122.913 122.820 0.135 0.000 2.327 97 A HA 0.701 5.028 4.320 0.013 0.000 0.283 97 A C -2.337 175.258 177.584 0.019 0.000 1.127 97 A CA -1.145 50.944 52.037 0.086 0.000 0.810 97 A CB 0.086 19.207 19.000 0.201 0.000 1.066 97 A HN 0.537 nan 8.150 nan 0.000 0.492 98 P HA 0.479 nan 4.420 nan 0.000 0.277 98 P C -0.899 176.562 177.300 0.268 0.000 1.240 98 P CA -0.028 63.002 63.100 -0.117 0.000 0.798 98 P CB 0.793 32.150 31.700 -0.573 0.000 0.979 99 I N 1.899 122.738 120.570 0.447 0.000 2.433 99 I HA 0.274 4.451 4.170 0.013 0.000 0.292 99 I C -0.554 175.773 176.117 0.352 0.000 1.001 99 I CA -1.001 60.563 61.300 0.439 0.000 1.119 99 I CB 1.637 39.819 38.000 0.303 0.000 1.289 99 I HN 0.284 nan 8.210 nan 0.000 0.438 100 Y N 5.883 126.127 120.300 -0.093 0.000 2.417 100 Y HA 0.535 5.093 4.550 0.013 0.000 0.336 100 Y C -0.369 175.380 175.900 -0.253 0.000 0.961 100 Y CA -0.492 57.264 58.100 -0.572 0.000 1.215 100 Y CB 1.136 38.725 38.460 -1.451 0.000 1.120 100 Y HN 0.547 nan 8.280 nan 0.000 0.499 101 T N 5.352 119.364 114.554 -0.904 0.000 2.886 101 T HA 0.258 4.615 4.350 0.013 0.000 0.292 101 T C 0.145 174.396 174.700 -0.748 0.000 1.012 101 T CA -0.590 61.041 62.100 -0.782 0.000 0.982 101 T CB 1.070 69.725 68.868 -0.355 0.000 1.018 101 T HN 0.779 nan 8.240 nan 0.000 0.451 102 N N 2.928 121.247 118.700 -0.635 0.000 2.288 102 N HA 0.056 4.803 4.740 0.013 0.000 0.199 102 N C 1.559 176.844 175.510 -0.375 0.000 1.043 102 N CA 1.570 54.411 53.050 -0.349 0.000 0.947 102 N CB -0.644 37.692 38.487 -0.251 0.000 1.140 102 N HN 0.374 nan 8.380 nan 0.000 0.490 103 V N 0.275 119.886 119.914 -0.505 0.000 2.492 103 V HA 0.106 4.234 4.120 0.013 0.000 0.241 103 V C 0.403 176.206 176.094 -0.486 0.000 1.041 103 V CA 0.944 62.861 62.300 -0.639 0.000 1.057 103 V CB -0.754 30.587 31.823 -0.804 0.000 0.711 103 V HN 0.352 nan 8.190 nan 0.000 0.468 104 T N 1.050 115.384 114.554 -0.368 0.000 2.871 104 T HA 0.116 4.474 4.350 0.013 0.000 0.296 104 T C -0.319 174.259 174.700 -0.203 0.000 0.998 104 T CA 0.266 62.222 62.100 -0.240 0.000 1.162 104 T CB -0.241 68.515 68.868 -0.187 0.000 0.947 104 T HN 0.182 nan 8.240 nan 0.000 0.536 105 Y N 4.629 124.841 120.300 -0.147 0.000 2.683 105 Y HA 0.101 4.659 4.550 0.013 0.000 0.340 105 Y C -0.795 174.983 175.900 -0.204 0.000 1.245 105 Y CA -1.605 56.398 58.100 -0.162 0.000 1.485 105 Y CB 0.422 38.782 38.460 -0.166 0.000 1.328 105 Y HN 0.518 nan 8.280 nan 0.000 0.603 106 P HA -0.006 nan 4.420 nan 0.000 0.241 106 P C -0.323 176.747 177.300 -0.384 0.000 1.191 106 P CA 1.109 64.096 63.100 -0.188 0.000 0.771 106 P CB 0.028 31.639 31.700 -0.148 0.000 0.929 107 I N -5.296 115.026 120.570 -0.413 0.000 3.002 107 I HA 0.484 4.662 4.170 0.013 0.000 0.310 107 I C -0.566 175.418 176.117 -0.222 0.000 1.087 107 I CA -1.222 59.810 61.300 -0.446 0.000 1.017 107 I CB 1.713 39.316 38.000 -0.662 0.000 1.226 107 I HN -0.468 nan 8.210 nan 0.000 0.443 108 T N 2.846 117.314 114.554 -0.144 0.000 2.934 108 T HA 0.126 4.484 4.350 0.013 0.000 0.306 108 T C 0.229 174.920 174.700 -0.015 0.000 1.042 108 T CA -0.153 61.916 62.100 -0.051 0.000 1.145 108 T CB 0.488 69.347 68.868 -0.015 0.000 0.982 108 T HN 0.377 nan 8.240 nan 0.000 0.544 109 V N 5.207 125.131 119.914 0.017 0.000 2.352 109 V HA 0.234 4.362 4.120 0.013 0.000 0.253 109 V C 0.728 176.875 176.094 0.089 0.000 1.083 109 V CA -0.204 62.132 62.300 0.059 0.000 0.993 109 V CB -0.293 31.552 31.823 0.038 0.000 1.111 109 V HN 0.856 nan 8.190 nan 0.000 0.490 110 N N 5.780 124.588 118.700 0.179 0.000 2.679 110 N HA 0.227 4.975 4.740 0.013 0.000 0.240 110 N C -2.932 172.671 175.510 0.155 0.000 1.537 110 N CA -1.237 51.907 53.050 0.156 0.000 0.793 110 N CB 1.378 39.991 38.487 0.212 0.000 1.391 110 N HN 0.271 nan 8.380 nan 0.000 0.524 111 P HA 0.164 nan 4.420 nan 0.000 0.264 111 P C -2.245 174.864 177.300 -0.318 0.000 1.183 111 P CA -0.591 62.134 63.100 -0.625 0.000 0.763 111 P CB 0.503 31.671 31.700 -0.886 0.000 0.807 112 P HA 0.247 nan 4.420 nan 0.000 0.266 112 P C -0.368 176.857 177.300 -0.125 0.000 1.561 112 P CA -0.309 62.624 63.100 -0.280 0.000 1.089 112 P CB 0.033 31.535 31.700 -0.331 0.000 1.534 113 F N 0.966 121.027 119.950 0.186 0.000 2.380 113 F HA 0.299 4.834 4.527 0.013 0.000 0.325 113 F C 1.402 177.366 175.800 0.274 0.000 1.136 113 F CA -0.720 57.395 58.000 0.192 0.000 1.171 113 F CB 0.839 39.901 39.000 0.105 0.000 1.230 113 F HN -0.210 nan 8.300 nan 0.000 0.554 114 V N -0.838 119.350 119.914 0.456 0.000 3.113 114 V HA 0.682 4.809 4.120 0.013 0.000 0.316 114 V C -2.762 173.487 176.094 0.258 0.000 1.125 114 V CA -2.930 59.558 62.300 0.313 0.000 1.026 114 V CB 1.303 33.364 31.823 0.397 0.000 1.080 114 V HN 0.459 nan 8.190 nan 0.000 0.444 115 P HA 0.182 nan 4.420 nan 0.000 0.267 115 P C 1.014 178.450 177.300 0.226 0.000 1.200 115 P CA 0.564 63.753 63.100 0.149 0.000 0.772 115 P CB 0.552 32.319 31.700 0.113 0.000 0.855 116 T N -1.487 113.170 114.554 0.172 0.000 2.951 116 T HA -0.058 4.299 4.350 0.013 0.000 0.268 116 T C 0.462 175.270 174.700 0.179 0.000 1.073 116 T CA 0.708 62.918 62.100 0.183 0.000 1.134 116 T CB -0.442 68.501 68.868 0.125 0.000 0.884 116 T HN 0.383 nan 8.240 nan 0.000 0.479 117 E N 2.584 122.889 120.200 0.174 0.000 1.996 117 E HA 0.316 4.674 4.350 0.013 0.000 0.280 117 E C -0.733 176.024 176.600 0.262 0.000 1.092 117 E CA -0.412 56.097 56.400 0.182 0.000 0.862 117 E CB 0.247 30.056 29.700 0.182 0.000 1.066 117 E HN 0.234 nan 8.360 nan 0.000 0.396 118 N N 4.513 123.341 118.700 0.214 0.000 2.549 118 N HA 0.245 4.992 4.740 0.013 0.000 0.281 118 N C -2.917 172.612 175.510 0.030 0.000 1.084 118 N CA -2.499 50.709 53.050 0.264 0.000 0.862 118 N CB 1.285 39.932 38.487 0.267 0.000 1.333 118 N HN 0.036 nan 8.380 nan 0.000 0.523 119 P HA 0.039 nan 4.420 nan 0.000 0.261 119 P C -0.836 176.352 177.300 -0.186 0.000 1.183 119 P CA 0.489 63.504 63.100 -0.141 0.000 0.761 119 P CB 0.447 32.372 31.700 0.374 0.000 0.785 120 T N 2.871 117.066 114.554 -0.597 0.000 2.812 120 T HA 0.557 4.915 4.350 0.013 0.000 0.282 120 T C 0.238 174.441 174.700 -0.828 0.000 0.990 120 T CA -0.545 61.271 62.100 -0.474 0.000 0.960 120 T CB 1.482 70.100 68.868 -0.416 0.000 0.948 120 T HN 0.328 nan 8.240 nan 0.000 0.438 121 G N 1.125 109.494 108.800 -0.720 0.000 2.347 121 G HA2 0.458 4.426 3.960 0.013 0.000 0.314 121 G HA3 0.458 4.426 3.960 0.013 0.000 0.314 121 G C -0.177 174.498 174.900 -0.374 0.000 1.126 121 G CA -0.348 44.222 45.100 -0.882 0.000 0.929 121 G HN 0.868 nan 8.290 nan 0.000 0.441 122 C N 3.521 122.387 119.300 -0.723 0.000 2.200 122 C HA 0.431 4.899 4.460 0.013 0.000 0.328 122 C C -0.406 174.579 174.990 -0.009 0.000 1.148 122 C CA -0.879 57.848 59.018 -0.485 0.000 1.624 122 C CB -1.935 25.093 27.740 -1.188 0.000 2.167 122 C HN 0.623 nan 8.230 nan 0.000 0.484 123 Y N 1.925 122.494 120.300 0.448 0.000 2.387 123 Y HA 0.637 5.195 4.550 0.013 0.000 0.330 123 Y C 0.828 177.156 175.900 0.714 0.000 1.133 123 Y CA -0.092 58.381 58.100 0.621 0.000 1.152 123 Y CB 1.499 40.327 38.460 0.613 0.000 1.215 123 Y HN 0.663 nan 8.280 nan 0.000 0.466 124 S N 2.039 118.214 115.700 0.792 0.000 2.570 124 S HA 0.828 5.306 4.470 0.013 0.000 0.270 124 S C -1.901 172.769 174.600 0.117 0.000 1.149 124 S CA -0.837 57.605 58.200 0.403 0.000 0.837 124 S CB 2.223 65.549 63.200 0.211 0.000 1.124 124 S HN 0.634 nan 8.310 nan 0.000 0.465 125 L N 0.548 121.674 121.223 -0.161 0.000 2.565 125 L HA 0.689 5.037 4.340 0.013 0.000 0.261 125 L C -1.239 175.583 176.870 -0.079 0.000 0.932 125 L CA 0.124 54.723 54.840 -0.401 0.000 0.878 125 L CB 2.253 43.539 42.059 -1.288 0.000 1.333 125 L HN 0.896 nan 8.230 nan 0.000 0.409 126 T N 5.554 120.084 114.554 -0.040 0.000 2.767 126 T HA 0.752 5.109 4.350 0.013 0.000 0.284 126 T C -0.819 173.931 174.700 0.084 0.000 0.973 126 T CA 0.025 62.133 62.100 0.013 0.000 0.996 126 T CB 0.236 69.077 68.868 -0.045 0.000 0.927 126 T HN 0.465 nan 8.240 nan 0.000 0.456 127 F N 1.211 121.064 119.950 -0.162 0.000 2.685 127 F HA 0.751 5.285 4.527 0.013 0.000 0.315 127 F C -0.775 174.948 175.800 -0.129 0.000 1.126 127 F CA -1.576 56.330 58.000 -0.157 0.000 0.950 127 F CB 1.354 40.239 39.000 -0.192 0.000 1.360 127 F HN 0.367 nan 8.300 nan 0.000 0.469 128 N N 0.191 118.802 118.700 -0.149 0.000 2.456 128 N HA 0.648 5.396 4.740 0.013 0.000 0.296 128 N C -1.978 173.403 175.510 -0.215 0.000 1.102 128 N CA -0.464 52.444 53.050 -0.237 0.000 0.924 128 N CB 1.999 40.409 38.487 -0.129 0.000 1.186 128 N HN 0.653 nan 8.380 nan 0.000 0.492 129 V N 2.224 121.981 119.914 -0.261 0.000 2.525 129 V HA 0.278 4.406 4.120 0.013 0.000 0.299 129 V C -0.793 175.176 176.094 -0.208 0.000 1.034 129 V CA -0.955 61.196 62.300 -0.247 0.000 0.863 129 V CB 1.543 33.280 31.823 -0.142 0.000 0.999 129 V HN 0.721 nan 8.190 nan 0.000 0.423 130 D N 2.585 122.814 120.400 -0.284 0.000 2.382 130 D HA 0.108 4.756 4.640 0.013 0.000 0.245 130 D C 1.114 177.415 176.300 0.002 0.000 1.120 130 D CA 0.068 53.992 54.000 -0.127 0.000 0.890 130 D CB 1.577 42.305 40.800 -0.121 0.000 1.201 130 D HN 0.734 nan 8.370 nan 0.000 0.433 131 E N 0.775 120.988 120.200 0.022 0.000 2.171 131 E HA -0.238 4.120 4.350 0.013 0.000 0.197 131 E C 1.685 178.353 176.600 0.114 0.000 0.997 131 E CA 1.657 58.092 56.400 0.059 0.000 0.810 131 E CB 0.170 29.892 29.700 0.036 0.000 0.738 131 E HN 0.472 nan 8.360 nan 0.000 0.467 132 S N -0.689 115.090 115.700 0.132 0.000 2.400 132 S HA -0.184 4.294 4.470 0.013 0.000 0.232 132 S C 1.556 176.262 174.600 0.178 0.000 1.025 132 S CA 0.959 59.241 58.200 0.136 0.000 0.993 132 S CB -0.647 62.626 63.200 0.121 0.000 0.808 132 S HN 0.412 nan 8.310 nan 0.000 0.478 133 W N 1.632 122.892 121.300 -0.067 0.000 2.465 133 W HA 0.340 5.008 4.660 0.013 0.000 0.268 133 W C 1.820 178.428 176.519 0.149 0.000 1.242 133 W CA -0.055 57.266 57.345 -0.041 0.000 1.248 133 W CB -0.466 29.046 29.460 0.087 0.000 1.118 133 W HN 0.312 nan 8.180 nan 0.000 0.587 134 L N -0.085 121.324 121.223 0.310 0.000 2.585 134 L HA 0.027 4.374 4.340 0.013 0.000 0.226 134 L C 2.117 179.076 176.870 0.148 0.000 1.113 134 L CA 0.365 55.337 54.840 0.219 0.000 0.876 134 L CB -0.441 41.714 42.059 0.159 0.000 1.072 134 L HN -0.079 nan 8.230 nan 0.000 0.468 135 Q N 0.981 120.856 119.800 0.125 0.000 2.311 135 Q HA 0.008 4.355 4.340 0.013 0.000 0.203 135 Q C 0.288 176.338 176.000 0.083 0.000 0.954 135 Q CA 0.637 56.489 55.803 0.082 0.000 0.885 135 Q CB 0.472 29.245 28.738 0.058 0.000 0.963 135 Q HN 0.662 nan 8.270 nan 0.000 0.471 136 E N -1.775 118.497 120.200 0.121 0.000 2.437 136 E HA 0.497 4.854 4.350 0.013 0.000 0.280 136 E C -0.171 176.551 176.600 0.203 0.000 1.044 136 E CA -0.421 56.049 56.400 0.118 0.000 0.826 136 E CB 1.245 30.994 29.700 0.081 0.000 1.358 136 E HN 0.033 nan 8.360 nan 0.000 0.459 137 G N 0.654 109.505 108.800 0.084 0.000 2.698 137 G HA2 -0.266 3.701 3.960 0.013 0.000 0.233 137 G HA3 -0.266 3.701 3.960 0.013 0.000 0.233 137 G C -0.741 174.068 174.900 -0.152 0.000 1.352 137 G CA 0.207 45.269 45.100 -0.065 0.000 0.879 137 G HN 0.779 nan 8.290 nan 0.000 0.567 138 Q N -0.697 118.855 119.800 -0.414 0.000 2.356 138 Q HA 0.655 5.003 4.340 0.013 0.000 0.270 138 Q C -1.055 174.782 176.000 -0.271 0.000 1.058 138 Q CA -0.497 55.171 55.803 -0.226 0.000 0.802 138 Q CB 1.745 30.388 28.738 -0.158 0.000 1.303 138 Q HN 0.643 nan 8.270 nan 0.000 0.444 139 T N 4.573 119.137 114.554 0.016 0.000 2.786 139 T HA 0.500 4.857 4.350 0.013 0.000 0.283 139 T C -0.712 174.097 174.700 0.181 0.000 0.992 139 T CA -0.675 61.529 62.100 0.173 0.000 0.954 139 T CB 0.650 69.763 68.868 0.409 0.000 0.934 139 T HN 0.651 nan 8.240 nan 0.000 0.440 140 R N 2.822 123.417 120.500 0.159 0.000 2.854 140 R HA 0.802 5.149 4.340 0.013 0.000 0.271 140 R C -1.074 175.318 176.300 0.153 0.000 0.996 140 R CA -0.981 55.211 56.100 0.153 0.000 0.961 140 R CB 1.539 31.902 30.300 0.106 0.000 1.182 140 R HN 0.579 nan 8.270 nan 0.000 0.479 141 I N 2.138 122.802 120.570 0.156 0.000 2.525 141 I HA 0.484 4.662 4.170 0.013 0.000 0.301 141 I C -1.111 175.038 176.117 0.053 0.000 0.992 141 I CA -1.317 60.024 61.300 0.068 0.000 1.162 141 I CB 1.448 39.490 38.000 0.069 0.000 1.332 141 I HN 0.635 nan 8.210 nan 0.000 0.458 142 I N 6.773 127.275 120.570 -0.114 0.000 2.478 142 I HA 0.290 4.468 4.170 0.013 0.000 0.287 142 I C -1.400 174.577 176.117 -0.234 0.000 1.042 142 I CA -0.344 60.912 61.300 -0.073 0.000 1.067 142 I CB 1.710 39.677 38.000 -0.055 0.000 1.233 142 I HN 0.386 nan 8.210 nan 0.000 0.431 143 F N 4.552 124.487 119.950 -0.026 0.000 2.332 143 F HA 0.279 4.814 4.527 0.013 0.000 0.368 143 F C 1.313 177.002 175.800 -0.185 0.000 1.110 143 F CA -0.444 57.473 58.000 -0.138 0.000 1.087 143 F CB 0.907 39.788 39.000 -0.199 0.000 1.235 143 F HN 0.453 nan 8.300 nan 0.000 0.470 144 D N 2.375 122.692 120.400 -0.139 0.000 2.264 144 D HA 0.045 4.692 4.640 0.013 0.000 0.208 144 D C 0.955 177.090 176.300 -0.276 0.000 0.966 144 D CA 0.918 54.791 54.000 -0.212 0.000 0.864 144 D CB 0.397 41.014 40.800 -0.305 0.000 0.933 144 D HN 0.632 nan 8.370 nan 0.000 0.499 145 G N -0.456 108.126 108.800 -0.363 0.000 2.505 145 G HA2 0.428 4.395 3.960 0.013 0.000 0.292 145 G HA3 0.428 4.395 3.960 0.013 0.000 0.292 145 G C -1.488 173.189 174.900 -0.372 0.000 1.332 145 G CA -0.432 44.364 45.100 -0.506 0.000 1.286 145 G HN -0.057 nan 8.290 nan 0.000 0.606 146 V N 2.561 122.447 119.914 -0.046 0.000 2.525 146 V HA 0.541 4.669 4.120 0.013 0.000 0.299 146 V C -0.840 175.343 176.094 0.148 0.000 1.034 146 V CA -1.158 61.112 62.300 -0.050 0.000 0.863 146 V CB 1.965 33.501 31.823 -0.479 0.000 0.999 146 V HN 0.697 nan 8.190 nan 0.000 0.423 147 N N 2.458 121.230 118.700 0.119 0.000 2.479 147 N HA 0.323 5.070 4.740 0.013 0.000 0.261 147 N C 0.609 176.056 175.510 -0.104 0.000 0.979 147 N CA 0.149 53.179 53.050 -0.033 0.000 0.930 147 N CB 2.191 40.500 38.487 -0.296 0.000 1.172 147 N HN 0.677 nan 8.380 nan 0.000 0.499 148 S N 1.898 117.576 115.700 -0.036 0.000 2.520 148 S HA 0.575 5.053 4.470 0.013 0.000 0.219 148 S C 0.353 175.014 174.600 0.102 0.000 1.028 148 S CA 0.077 58.305 58.200 0.046 0.000 0.921 148 S CB 0.368 63.615 63.200 0.079 0.000 0.844 148 S HN 0.653 nan 8.310 nan 0.000 0.495 149 A N 0.805 123.694 122.820 0.117 0.000 2.605 149 A HA 0.745 5.072 4.320 0.013 0.000 0.294 149 A C -1.312 176.349 177.584 0.127 0.000 1.062 149 A CA -0.988 51.064 52.037 0.026 0.000 0.682 149 A CB 0.774 19.830 19.000 0.093 0.000 1.278 149 A HN 1.077 nan 8.150 nan 0.000 0.410 150 F N -0.455 119.276 119.950 -0.365 0.000 2.693 150 F HA 0.744 5.279 4.527 0.013 0.000 0.309 150 F C -1.140 174.520 175.800 -0.232 0.000 1.129 150 F CA -0.810 57.084 58.000 -0.177 0.000 0.948 150 F CB 1.170 40.066 39.000 -0.172 0.000 1.315 150 F HN 0.622 nan 8.300 nan 0.000 0.447 151 H N 2.052 121.276 119.070 0.255 0.000 2.472 151 H HA 0.696 5.260 4.556 0.013 0.000 0.338 151 H C -1.401 173.914 175.328 -0.023 0.000 1.133 151 H CA -0.709 55.365 56.048 0.044 0.000 1.216 151 H CB 2.473 32.246 29.762 0.017 0.000 1.497 151 H HN 0.807 nan 8.280 nan 0.000 0.500 152 L N 3.179 124.190 121.223 -0.354 0.000 2.385 152 L HA 0.417 4.765 4.340 0.013 0.000 0.273 152 L C -1.591 175.007 176.870 -0.453 0.000 0.990 152 L CA -0.468 54.223 54.840 -0.249 0.000 0.821 152 L CB 1.480 43.278 42.059 -0.435 0.000 1.279 152 L HN 0.508 nan 8.230 nan 0.000 0.412 153 W N 4.373 125.618 121.300 -0.091 0.000 2.761 153 W HA 0.587 5.254 4.660 0.013 0.000 0.340 153 W C -1.126 175.322 176.519 -0.120 0.000 1.072 153 W CA -0.855 56.430 57.345 -0.100 0.000 1.215 153 W CB 2.060 31.503 29.460 -0.029 0.000 1.420 153 W HN 0.607 nan 8.180 nan 0.000 0.519 154 C N 4.729 124.088 119.300 0.098 0.000 2.396 154 C HA 0.307 4.775 4.460 0.013 0.000 0.321 154 C C 0.312 175.412 174.990 0.182 0.000 1.233 154 C CA -0.325 58.751 59.018 0.097 0.000 1.440 154 C CB -0.507 27.217 27.740 -0.026 0.000 2.110 154 C HN 0.812 nan 8.230 nan 0.000 0.473 155 N N 3.588 122.358 118.700 0.117 0.000 2.721 155 N HA -0.190 4.558 4.740 0.013 0.000 0.249 155 N C 0.964 176.534 175.510 0.099 0.000 1.072 155 N CA 2.001 55.101 53.050 0.084 0.000 0.710 155 N CB -1.350 37.193 38.487 0.092 0.000 0.993 155 N HN 1.839 nan 8.380 nan 0.000 0.547 156 G N -1.206 107.644 108.800 0.083 0.000 2.184 156 G HA2 -0.371 3.596 3.960 0.013 0.000 0.264 156 G HA3 -0.371 3.596 3.960 0.013 0.000 0.264 156 G C 0.139 175.195 174.900 0.260 0.000 0.975 156 G CA 0.683 45.827 45.100 0.073 0.000 0.642 156 G HN 0.555 nan 8.290 nan 0.000 0.536 157 R N -1.054 119.662 120.500 0.361 0.000 2.460 157 R HA 0.416 4.763 4.340 0.013 0.000 0.303 157 R C -0.329 176.287 176.300 0.528 0.000 0.968 157 R CA -0.908 55.476 56.100 0.472 0.000 0.889 157 R CB 1.057 31.645 30.300 0.479 0.000 1.123 157 R HN 0.197 nan 8.270 nan 0.000 0.455 158 W N 3.778 125.235 121.300 0.262 0.000 2.308 158 W HA 0.060 4.727 4.660 0.013 0.000 0.324 158 W C 0.137 176.577 176.519 -0.132 0.000 1.387 158 W CA 0.088 57.305 57.345 -0.213 0.000 1.250 158 W CB 0.656 29.958 29.460 -0.263 0.000 1.257 158 W HN 0.342 nan 8.180 nan 0.000 0.554 159 V N 5.438 124.655 119.914 -1.161 0.000 2.599 159 V HA 0.533 4.660 4.120 0.013 0.000 0.237 159 V C 1.102 176.192 176.094 -1.672 0.000 1.081 159 V CA 1.129 62.680 62.300 -1.249 0.000 1.107 159 V CB -0.479 30.624 31.823 -1.199 0.000 0.808 159 V HN 0.794 nan 8.190 nan 0.000 0.486 160 G N -1.927 105.657 108.800 -2.026 0.000 2.427 160 G HA2 0.465 4.433 3.960 0.013 0.000 0.306 160 G HA3 0.465 4.433 3.960 0.013 0.000 0.306 160 G C -2.436 171.965 174.900 -0.831 0.000 1.280 160 G CA -0.289 43.928 45.100 -1.473 0.000 0.837 160 G HN 0.004 nan 8.290 nan 0.000 0.482 161 Y N -0.467 119.523 120.300 -0.517 0.000 2.534 161 Y HA 0.675 5.232 4.550 0.013 0.000 0.345 161 Y C -0.069 175.586 175.900 -0.407 0.000 1.031 161 Y CA -0.042 57.728 58.100 -0.548 0.000 1.022 161 Y CB 2.302 40.582 38.460 -0.299 0.000 1.292 161 Y HN 1.130 nan 8.280 nan 0.000 0.459 162 G N 4.064 112.052 108.800 -1.354 0.000 2.706 162 G HA2 0.590 4.558 3.960 0.013 0.000 0.297 162 G HA3 0.590 4.558 3.960 0.013 0.000 0.297 162 G C -2.033 172.407 174.900 -0.766 0.000 1.403 162 G CA -0.814 43.768 45.100 -0.864 0.000 0.954 162 G HN 0.600 nan 8.290 nan 0.000 0.500 163 Q N -0.135 119.469 119.800 -0.327 0.000 2.552 163 Q HA 0.587 4.934 4.340 0.013 0.000 0.289 163 Q C -1.336 174.668 176.000 0.007 0.000 1.097 163 Q CA -0.825 54.913 55.803 -0.109 0.000 0.812 163 Q CB 2.616 31.343 28.738 -0.019 0.000 1.460 163 Q HN 0.637 nan 8.270 nan 0.000 0.452 164 D N -0.238 120.204 120.400 0.068 0.000 4.303 164 D HA -0.095 4.552 4.640 0.013 0.000 0.230 164 D C -0.523 175.845 176.300 0.112 0.000 1.172 164 D CA 0.418 54.472 54.000 0.091 0.000 1.001 164 D CB -0.643 40.195 40.800 0.064 0.000 0.641 164 D HN 0.527 nan 8.370 nan 0.000 0.296 165 S N 3.120 118.900 115.700 0.133 0.000 2.507 165 S HA -0.059 4.419 4.470 0.013 0.000 0.235 165 S C 1.572 176.308 174.600 0.226 0.000 0.988 165 S CA 0.549 58.855 58.200 0.176 0.000 0.944 165 S CB 0.264 63.530 63.200 0.110 0.000 0.762 165 S HN 0.447 nan 8.310 nan 0.000 0.526 166 R N 0.072 120.667 120.500 0.158 0.000 2.508 166 R HA 0.439 4.787 4.340 0.013 0.000 0.300 166 R C -0.336 176.023 176.300 0.098 0.000 0.970 166 R CA 0.067 56.258 56.100 0.152 0.000 1.102 166 R CB 0.167 30.577 30.300 0.184 0.000 1.246 166 R HN 0.326 nan 8.270 nan 0.000 0.539 167 L N 1.258 122.512 121.223 0.052 0.000 2.327 167 L HA 0.518 4.866 4.340 0.013 0.000 0.258 167 L C -2.345 174.503 176.870 -0.037 0.000 1.024 167 L CA -2.334 52.505 54.840 -0.001 0.000 0.825 167 L CB 2.834 44.885 42.059 -0.013 0.000 1.386 167 L HN -0.197 nan 8.230 nan 0.000 0.417 168 P HA 0.081 nan 4.420 nan 0.000 0.271 168 P C -0.994 176.262 177.300 -0.074 0.000 1.216 168 P CA -0.129 62.918 63.100 -0.088 0.000 0.771 168 P CB 1.073 32.684 31.700 -0.148 0.000 0.864 169 S N 2.271 117.980 115.700 0.015 0.000 2.456 169 S HA 0.292 4.770 4.470 0.013 0.000 0.316 169 S C -0.369 174.150 174.600 -0.136 0.000 1.089 169 S CA -0.617 57.547 58.200 -0.060 0.000 1.101 169 S CB 0.859 64.200 63.200 0.234 0.000 0.995 169 S HN 0.377 nan 8.310 nan 0.000 0.468 170 E N 2.303 122.232 120.200 -0.451 0.000 2.199 170 E HA 0.532 4.890 4.350 0.013 0.000 0.269 170 E C -1.378 174.829 176.600 -0.654 0.000 0.899 170 E CA -0.521 55.687 56.400 -0.321 0.000 0.772 170 E CB 1.679 31.313 29.700 -0.111 0.000 1.155 170 E HN 0.411 nan 8.360 nan 0.000 0.408 171 F N 0.751 120.754 119.950 0.087 0.000 2.565 171 F HA 0.196 4.731 4.527 0.013 0.000 0.313 171 F C 0.128 175.953 175.800 0.041 0.000 1.091 171 F CA -1.100 56.916 58.000 0.028 0.000 0.915 171 F CB 1.701 40.689 39.000 -0.020 0.000 1.208 171 F HN 0.301 nan 8.300 nan 0.000 0.453 172 D N 3.003 123.538 120.400 0.226 0.000 2.325 172 D HA 0.221 4.869 4.640 0.013 0.000 0.251 172 D C 0.281 176.730 176.300 0.248 0.000 1.196 172 D CA 0.247 54.363 54.000 0.193 0.000 0.866 172 D CB 1.075 41.972 40.800 0.161 0.000 1.101 172 D HN 0.564 nan 8.370 nan 0.000 0.476 173 L N 2.819 124.189 121.223 0.245 0.000 2.640 173 L HA 0.023 4.371 4.340 0.013 0.000 0.230 173 L C 2.130 179.242 176.870 0.402 0.000 1.123 173 L CA -0.167 54.864 54.840 0.318 0.000 0.900 173 L CB 0.050 42.250 42.059 0.236 0.000 1.146 173 L HN 0.293 nan 8.230 nan 0.000 0.484 174 S N 1.404 117.275 115.700 0.285 0.000 2.378 174 S HA -0.309 4.168 4.470 0.013 0.000 0.229 174 S C 2.042 176.747 174.600 0.176 0.000 1.052 174 S CA 1.950 60.273 58.200 0.205 0.000 1.084 174 S CB -0.209 63.068 63.200 0.129 0.000 0.950 174 S HN 0.576 nan 8.310 nan 0.000 0.440 175 A N -0.566 122.340 122.820 0.143 0.000 2.235 175 A HA 0.282 4.610 4.320 0.013 0.000 0.208 175 A C 1.309 178.813 177.584 -0.135 0.000 1.172 175 A CA 0.460 52.466 52.037 -0.051 0.000 0.786 175 A CB -0.456 18.415 19.000 -0.216 0.000 0.804 175 A HN 0.492 nan 8.150 nan 0.000 0.479 176 F N -0.855 119.136 119.950 0.068 0.000 2.720 176 F HA 0.372 4.907 4.527 0.013 0.000 0.301 176 F C 0.652 176.487 175.800 0.058 0.000 1.103 176 F CA -0.168 57.871 58.000 0.064 0.000 1.291 176 F CB 0.082 39.126 39.000 0.073 0.000 1.086 176 F HN -0.027 nan 8.300 nan 0.000 0.592 177 L N 0.836 122.210 121.223 0.252 0.000 2.431 177 L HA 0.580 4.928 4.340 0.013 0.000 0.260 177 L C 0.105 177.018 176.870 0.072 0.000 1.098 177 L CA -0.831 54.097 54.840 0.147 0.000 0.800 177 L CB 1.259 43.416 42.059 0.164 0.000 1.210 177 L HN 0.013 nan 8.230 nan 0.000 0.465 178 R N 0.573 121.078 120.500 0.009 0.000 2.774 178 R HA 0.791 5.139 4.340 0.013 0.000 0.272 178 R C -1.171 175.108 176.300 -0.036 0.000 1.000 178 R CA -0.923 55.175 56.100 -0.003 0.000 0.906 178 R CB 1.446 31.736 30.300 -0.015 0.000 1.227 178 R HN 0.548 nan 8.270 nan 0.000 0.468 179 A N 1.157 123.964 122.820 -0.022 0.000 2.531 179 A HA 0.470 4.797 4.320 0.013 0.000 0.236 179 A C 1.106 178.644 177.584 -0.077 0.000 1.062 179 A CA 1.175 53.189 52.037 -0.039 0.000 0.760 179 A CB -0.818 18.171 19.000 -0.018 0.000 0.995 179 A HN 1.449 nan 8.150 nan 0.000 0.501 180 G N 1.537 110.273 108.800 -0.106 0.000 2.496 180 G HA2 -0.165 3.802 3.960 0.013 0.000 0.243 180 G HA3 -0.165 3.802 3.960 0.013 0.000 0.243 180 G C -0.196 174.582 174.900 -0.203 0.000 1.176 180 G CA 0.154 45.177 45.100 -0.128 0.000 0.940 180 G HN 1.013 nan 8.290 nan 0.000 0.573 181 E N 1.640 121.725 120.200 -0.190 0.000 2.338 181 E HA 0.396 4.753 4.350 0.013 0.000 0.272 181 E C -0.057 176.346 176.600 -0.328 0.000 1.029 181 E CA -0.084 56.160 56.400 -0.260 0.000 0.872 181 E CB 0.481 30.078 29.700 -0.172 0.000 1.015 181 E HN 0.415 nan 8.360 nan 0.000 0.417 182 N N 2.270 120.627 118.700 -0.573 0.000 2.262 182 N HA 0.351 5.099 4.740 0.013 0.000 0.295 182 N C -1.036 174.202 175.510 -0.455 0.000 1.161 182 N CA -0.702 52.003 53.050 -0.575 0.000 0.767 182 N CB 2.440 40.410 38.487 -0.862 0.000 1.499 182 N HN 0.326 nan 8.380 nan 0.000 0.476 183 R N 1.996 122.419 120.500 -0.129 0.000 2.476 183 R HA 0.475 4.823 4.340 0.013 0.000 0.305 183 R C -1.168 175.206 176.300 0.124 0.000 0.965 183 R CA -0.498 55.613 56.100 0.019 0.000 0.867 183 R CB 0.849 31.119 30.300 -0.051 0.000 1.176 183 R HN 0.477 nan 8.270 nan 0.000 0.447 184 L N 2.951 124.292 121.223 0.197 0.000 2.379 184 L HA 0.768 5.116 4.340 0.013 0.000 0.269 184 L C -0.148 176.766 176.870 0.074 0.000 1.084 184 L CA -1.009 53.931 54.840 0.166 0.000 0.802 184 L CB 1.818 43.973 42.059 0.161 0.000 1.175 184 L HN 0.802 nan 8.230 nan 0.000 0.448 185 A N 2.173 125.050 122.820 0.094 0.000 2.375 185 A HA 0.726 5.054 4.320 0.013 0.000 0.295 185 A C -1.158 176.658 177.584 0.387 0.000 1.066 185 A CA -0.427 51.571 52.037 -0.064 0.000 0.722 185 A CB 1.578 20.032 19.000 -0.909 0.000 1.206 185 A HN 0.353 nan 8.150 nan 0.000 0.435 186 V N 3.142 123.455 119.914 0.665 0.000 2.443 186 V HA 0.502 4.629 4.120 0.013 0.000 0.293 186 V C -0.120 176.470 176.094 0.827 0.000 1.021 186 V CA -0.303 62.386 62.300 0.649 0.000 0.848 186 V CB 1.577 33.589 31.823 0.314 0.000 0.998 186 V HN 0.964 nan 8.190 nan 0.000 0.424 187 M N 5.978 126.090 119.600 0.853 0.000 2.055 187 M HA 0.570 5.058 4.480 0.013 0.000 0.347 187 M C -1.463 175.086 176.300 0.415 0.000 1.123 187 M CA -0.349 55.295 55.300 0.573 0.000 1.035 187 M CB 1.092 34.072 32.600 0.634 0.000 1.484 187 M HN 0.482 nan 8.290 nan 0.000 0.428 188 V N 6.761 126.875 119.914 0.333 0.000 2.394 188 V HA 0.366 4.494 4.120 0.013 0.000 0.282 188 V C -0.105 176.137 176.094 0.245 0.000 1.031 188 V CA -0.665 61.834 62.300 0.332 0.000 0.881 188 V CB 1.457 33.574 31.823 0.491 0.000 0.982 188 V HN 0.791 nan 8.190 nan 0.000 0.451 189 L N 5.263 126.571 121.223 0.142 0.000 2.276 189 L HA 0.495 4.843 4.340 0.013 0.000 0.286 189 L C 1.583 178.470 176.870 0.028 0.000 1.061 189 L CA -0.270 54.582 54.840 0.020 0.000 0.807 189 L CB 0.810 42.795 42.059 -0.123 0.000 1.177 189 L HN 0.648 nan 8.230 nan 0.000 0.429 190 R N 3.210 123.681 120.500 -0.048 0.000 2.073 190 R HA -0.061 4.286 4.340 0.013 0.000 0.234 190 R C -0.321 175.656 176.300 -0.538 0.000 1.134 190 R CA 1.250 57.088 56.100 -0.437 0.000 0.952 190 R CB 0.194 30.118 30.300 -0.626 0.000 0.850 190 R HN 0.578 nan 8.270 nan 0.000 0.433 191 W N 0.349 121.714 121.300 0.109 0.000 2.606 191 W HA 0.431 5.099 4.660 0.012 0.000 0.332 191 W C -0.330 176.306 176.519 0.196 0.000 1.052 191 W CA -0.803 56.614 57.345 0.119 0.000 1.223 191 W CB 1.751 31.282 29.460 0.118 0.000 1.383 191 W HN 0.046 nan 8.180 nan 0.000 0.524 192 S N -1.067 114.918 115.700 0.475 0.000 2.672 192 S HA 0.189 4.667 4.470 0.013 0.000 0.271 192 S C 0.067 174.922 174.600 0.426 0.000 1.171 192 S CA -0.444 58.051 58.200 0.493 0.000 0.817 192 S CB 1.110 64.573 63.200 0.439 0.000 1.150 192 S HN 0.632 nan 8.310 nan 0.000 0.478 193 D N 0.390 121.047 120.400 0.429 0.000 2.263 193 D HA 0.066 4.713 4.640 0.013 0.000 0.208 193 D C 1.735 178.344 176.300 0.516 0.000 0.971 193 D CA 1.212 55.508 54.000 0.493 0.000 0.867 193 D CB -0.671 40.300 40.800 0.284 0.000 0.929 193 D HN 0.711 nan 8.370 nan 0.000 0.492 194 G N 0.059 109.083 108.800 0.374 0.000 2.471 194 G HA2 -0.231 3.736 3.960 0.013 0.000 0.219 194 G HA3 -0.231 3.736 3.960 0.013 0.000 0.219 194 G C 1.671 176.763 174.900 0.319 0.000 1.125 194 G CA 0.624 45.921 45.100 0.327 0.000 0.775 194 G HN 0.310 nan 8.290 nan 0.000 0.548 195 S N 0.028 115.901 115.700 0.287 0.000 2.419 195 S HA -0.117 4.361 4.470 0.013 0.000 0.233 195 S C 1.869 176.572 174.600 0.172 0.000 1.016 195 S CA 0.750 59.084 58.200 0.223 0.000 0.974 195 S CB -0.409 62.926 63.200 0.225 0.000 0.786 195 S HN 0.557 nan 8.310 nan 0.000 0.492 196 Y N 1.150 121.574 120.300 0.208 0.000 2.497 196 Y HA 0.100 4.658 4.550 0.013 0.000 0.292 196 Y C 1.623 177.640 175.900 0.194 0.000 1.137 196 Y CA 0.589 58.727 58.100 0.063 0.000 1.285 196 Y CB -0.219 38.130 38.460 -0.184 0.000 0.991 196 Y HN 0.201 nan 8.280 nan 0.000 0.556 197 L N -0.385 121.052 121.223 0.355 0.000 2.667 197 L HA 0.120 4.468 4.340 0.013 0.000 0.232 197 L C 0.104 177.129 176.870 0.259 0.000 1.138 197 L CA 0.413 55.419 54.840 0.277 0.000 0.921 197 L CB 0.086 42.310 42.059 0.275 0.000 1.180 197 L HN 0.135 nan 8.230 nan 0.000 0.487 198 E N 0.015 120.382 120.200 0.279 0.000 3.388 198 E HA 0.035 4.393 4.350 0.013 0.000 0.214 198 E C -0.450 176.279 176.600 0.215 0.000 1.040 198 E CA -0.086 56.460 56.400 0.244 0.000 1.327 198 E CB 0.435 30.267 29.700 0.220 0.000 1.243 198 E HN 0.035 nan 8.360 nan 0.000 0.444 199 D N 1.157 121.649 120.400 0.152 0.000 2.706 199 D HA 0.031 4.679 4.640 0.013 0.000 0.236 199 D C -0.211 176.107 176.300 0.030 0.000 1.231 199 D CA -0.121 53.864 54.000 -0.025 0.000 0.828 199 D CB 0.110 40.652 40.800 -0.430 0.000 1.015 199 D HN 0.061 nan 8.370 nan 0.000 0.484 200 Q N 0.338 120.241 119.800 0.170 0.000 2.421 200 Q HA 0.115 4.463 4.340 0.013 0.000 0.255 200 Q C -0.066 176.071 176.000 0.229 0.000 1.013 200 Q CA 0.021 55.984 55.803 0.267 0.000 0.895 200 Q CB 0.628 29.663 28.738 0.494 0.000 1.271 200 Q HN 0.056 nan 8.270 nan 0.000 0.460 201 D N 2.854 123.417 120.400 0.273 0.000 2.489 201 D HA 0.129 4.777 4.640 0.013 0.000 0.237 201 D C -0.781 175.708 176.300 0.314 0.000 1.212 201 D CA 0.205 54.368 54.000 0.271 0.000 1.058 201 D CB -0.486 40.476 40.800 0.271 0.000 1.098 201 D HN 0.482 nan 8.370 nan 0.000 0.509 202 M N -0.111 119.638 119.600 0.248 0.000 3.084 202 M HA 0.400 4.887 4.480 0.013 0.000 0.273 202 M C -1.302 175.094 176.300 0.160 0.000 1.242 202 M CA -1.154 54.197 55.300 0.085 0.000 0.819 202 M CB 1.060 33.627 32.600 -0.055 0.000 1.625 202 M HN -0.113 nan 8.290 nan 0.000 0.493 203 W N 1.961 123.336 121.300 0.125 0.000 2.223 203 W HA 0.317 4.985 4.660 0.013 0.000 0.334 203 W C 0.267 176.812 176.519 0.042 0.000 1.334 203 W CA -0.091 57.327 57.345 0.122 0.000 1.246 203 W CB 0.373 29.843 29.460 0.016 0.000 1.184 203 W HN 0.288 nan 8.180 nan 0.000 0.563 204 R N 4.908 125.604 120.500 0.327 0.000 2.235 204 R HA 0.360 4.708 4.340 0.013 0.000 0.338 204 R C -0.078 176.239 176.300 0.027 0.000 1.087 204 R CA -0.074 56.136 56.100 0.183 0.000 0.948 204 R CB -0.114 30.365 30.300 0.298 0.000 1.099 204 R HN 0.560 nan 8.270 nan 0.000 0.483 205 M N 0.130 119.633 119.600 -0.162 0.000 2.739 205 M HA 0.525 5.013 4.480 0.013 0.000 0.284 205 M C 0.033 175.987 176.300 -0.575 0.000 1.103 205 M CA -0.834 54.246 55.300 -0.368 0.000 0.809 205 M CB 2.067 34.441 32.600 -0.377 0.000 1.708 205 M HN 0.580 nan 8.290 nan 0.000 0.481 206 S N -1.309 113.916 115.700 -0.791 0.000 2.611 206 S HA 0.924 5.401 4.470 0.013 0.000 0.268 206 S C -0.617 173.480 174.600 -0.838 0.000 1.156 206 S CA -0.209 57.450 58.200 -0.902 0.000 0.817 206 S CB 1.689 64.178 63.200 -1.185 0.000 1.122 206 S HN 1.478 nan 8.310 nan 0.000 0.466 207 G N -0.055 108.509 108.800 -0.394 0.000 2.343 207 G HA2 0.172 4.139 3.960 0.013 0.000 0.562 207 G HA3 0.172 4.139 3.960 0.013 0.000 0.562 207 G C -1.423 173.490 174.900 0.021 0.000 1.269 207 G CA -0.619 44.549 45.100 0.114 0.000 1.011 207 G HN 1.169 nan 8.290 nan 0.000 0.498 208 I N 2.020 122.449 120.570 -0.234 0.000 2.256 208 I HA 0.279 4.457 4.170 0.013 0.000 0.294 208 I C 1.123 177.113 176.117 -0.212 0.000 1.127 208 I CA -0.205 60.864 61.300 -0.385 0.000 1.247 208 I CB -0.164 37.345 38.000 -0.818 0.000 1.460 208 I HN 0.520 nan 8.210 nan 0.000 0.511 209 F N 4.469 124.267 119.950 -0.254 0.000 2.695 209 F HA 0.458 4.993 4.527 0.012 0.000 0.303 209 F C 0.669 176.383 175.800 -0.143 0.000 1.091 209 F CA -0.565 57.318 58.000 -0.195 0.000 1.300 209 F CB 0.126 39.014 39.000 -0.186 0.000 1.071 209 F HN 0.144 nan 8.300 nan 0.000 0.578 210 R N 0.389 120.438 120.500 -0.751 0.000 2.930 210 R HA 0.255 4.603 4.340 0.013 0.000 0.257 210 R C -0.798 175.281 176.300 -0.367 0.000 1.107 210 R CA -1.195 54.567 56.100 -0.563 0.000 0.999 210 R CB 0.675 30.564 30.300 -0.685 0.000 1.209 210 R HN -0.042 nan 8.270 nan 0.000 0.486 211 D N 0.781 121.008 120.400 -0.289 0.000 2.449 211 D HA 0.103 4.751 4.640 0.013 0.000 0.236 211 D C -0.496 175.656 176.300 -0.247 0.000 1.149 211 D CA 0.388 54.260 54.000 -0.213 0.000 0.878 211 D CB 0.764 41.471 40.800 -0.156 0.000 1.198 211 D HN -0.001 nan 8.370 nan 0.000 0.446 212 V N 1.257 121.034 119.914 -0.228 0.000 2.495 212 V HA 0.569 4.697 4.120 0.013 0.000 0.298 212 V C 0.155 176.121 176.094 -0.213 0.000 1.031 212 V CA -0.565 61.542 62.300 -0.321 0.000 0.871 212 V CB 1.558 33.193 31.823 -0.312 0.000 0.988 212 V HN 0.741 nan 8.190 nan 0.000 0.432 213 S N 4.564 120.120 115.700 -0.240 0.000 2.618 213 S HA 0.874 5.351 4.470 0.013 0.000 0.277 213 S C -1.489 173.055 174.600 -0.093 0.000 1.138 213 S CA -0.832 57.294 58.200 -0.122 0.000 0.844 213 S CB 2.168 65.328 63.200 -0.067 0.000 1.127 213 S HN 0.472 nan 8.310 nan 0.000 0.474 214 L N 1.462 122.693 121.223 0.014 0.000 2.356 214 L HA 0.776 5.124 4.340 0.013 0.000 0.277 214 L C -1.477 175.578 176.870 0.309 0.000 0.996 214 L CA -0.732 54.190 54.840 0.136 0.000 0.822 214 L CB 1.590 43.714 42.059 0.109 0.000 1.256 214 L HN 0.858 nan 8.230 nan 0.000 0.413 215 L N 4.479 125.865 121.223 0.272 0.000 2.362 215 L HA 0.500 4.848 4.340 0.013 0.000 0.275 215 L C -1.094 175.808 176.870 0.054 0.000 0.998 215 L CA -0.186 54.755 54.840 0.168 0.000 0.820 215 L CB 1.278 43.389 42.059 0.087 0.000 1.270 215 L HN 0.623 nan 8.230 nan 0.000 0.415 216 H N 5.293 124.165 119.070 -0.331 0.000 2.488 216 H HA 0.475 5.039 4.556 0.013 0.000 0.322 216 H C -1.223 173.900 175.328 -0.341 0.000 1.078 216 H CA -0.526 55.185 56.048 -0.561 0.000 1.260 216 H CB 1.131 30.029 29.762 -1.440 0.000 1.425 216 H HN 0.522 nan 8.280 nan 0.000 0.471 217 K N 5.333 125.364 120.400 -0.616 0.000 2.328 217 K HA 0.391 4.718 4.320 0.013 0.000 0.246 217 K C -2.699 173.670 176.600 -0.385 0.000 0.955 217 K CA -2.060 54.013 56.287 -0.356 0.000 0.817 217 K CB 2.152 34.508 32.500 -0.239 0.000 1.208 217 K HN 0.483 nan 8.250 nan 0.000 0.432 218 P HA 0.177 nan 4.420 nan 0.000 0.276 218 P C 0.516 177.752 177.300 -0.107 0.000 1.252 218 P CA -0.194 62.849 63.100 -0.095 0.000 0.802 218 P CB 0.512 32.188 31.700 -0.041 0.000 1.035 219 T N -0.904 113.611 114.554 -0.064 0.000 2.720 219 T HA -0.070 4.288 4.350 0.013 0.000 0.268 219 T C 0.619 175.285 174.700 -0.056 0.000 1.037 219 T CA 1.659 63.728 62.100 -0.053 0.000 1.144 219 T CB -0.666 68.188 68.868 -0.024 0.000 0.864 219 T HN 0.427 nan 8.240 nan 0.000 0.444 220 T N 3.791 118.318 114.554 -0.045 0.000 2.727 220 T HA 0.437 4.794 4.350 0.013 0.000 0.298 220 T C -0.172 174.488 174.700 -0.066 0.000 0.942 220 T CA -0.566 61.499 62.100 -0.058 0.000 0.997 220 T CB 0.473 69.325 68.868 -0.028 0.000 0.917 220 T HN 0.489 nan 8.240 nan 0.000 0.487 221 Q N 2.508 122.254 119.800 -0.090 0.000 2.565 221 Q HA 0.588 4.936 4.340 0.013 0.000 0.294 221 Q C -1.254 174.688 176.000 -0.096 0.000 1.005 221 Q CA -1.166 54.575 55.803 -0.103 0.000 0.771 221 Q CB 1.298 29.957 28.738 -0.132 0.000 1.486 221 Q HN 0.439 nan 8.270 nan 0.000 0.422 222 I N 2.700 123.187 120.570 -0.139 0.000 2.363 222 I HA 0.031 4.209 4.170 0.013 0.000 0.292 222 I C 0.774 176.806 176.117 -0.143 0.000 1.075 222 I CA -0.009 61.227 61.300 -0.106 0.000 1.333 222 I CB 1.080 38.965 38.000 -0.192 0.000 1.415 222 I HN 0.864 nan 8.210 nan 0.000 0.502 223 S N 2.864 118.600 115.700 0.061 0.000 2.517 223 S HA 0.175 4.653 4.470 0.013 0.000 0.214 223 S C 0.218 175.046 174.600 0.381 0.000 0.991 223 S CA -0.220 58.092 58.200 0.187 0.000 0.906 223 S CB 0.248 63.508 63.200 0.099 0.000 0.789 223 S HN 0.711 nan 8.310 nan 0.000 0.513 224 D N -0.315 120.315 120.400 0.384 0.000 2.728 224 D HA 0.472 5.120 4.640 0.013 0.000 0.249 224 D C -1.910 174.594 176.300 0.340 0.000 1.225 224 D CA -0.702 53.514 54.000 0.360 0.000 0.748 224 D CB 1.438 42.329 40.800 0.152 0.000 1.326 224 D HN 0.213 nan 8.370 nan 0.000 0.426 225 F N -0.567 119.478 119.950 0.158 0.000 2.650 225 F HA 0.615 5.149 4.527 0.013 0.000 0.310 225 F C -1.473 174.427 175.800 0.167 0.000 1.112 225 F CA -0.799 57.226 58.000 0.041 0.000 0.986 225 F CB 1.320 40.368 39.000 0.081 0.000 1.285 225 F HN 0.229 nan 8.300 nan 0.000 0.440 226 H N 1.843 120.984 119.070 0.119 0.000 2.589 226 H HA 0.722 5.286 4.556 0.013 0.000 0.351 226 H C -1.312 174.055 175.328 0.065 0.000 1.074 226 H CA -1.487 54.561 56.048 0.001 0.000 1.203 226 H CB 2.686 32.434 29.762 -0.024 0.000 1.558 226 H HN 0.598 nan 8.280 nan 0.000 0.522 227 V N 2.442 122.450 119.914 0.157 0.000 2.417 227 V HA 0.623 4.750 4.120 0.013 0.000 0.291 227 V C -0.140 175.947 176.094 -0.012 0.000 1.024 227 V CA -0.530 61.817 62.300 0.078 0.000 0.861 227 V CB 1.183 33.054 31.823 0.081 0.000 0.985 227 V HN 0.914 nan 8.190 nan 0.000 0.436 228 A N 3.463 126.256 122.820 -0.045 0.000 2.380 228 A HA 0.964 5.291 4.320 0.013 0.000 0.315 228 A C -0.097 177.389 177.584 -0.164 0.000 1.101 228 A CA -0.530 51.460 52.037 -0.078 0.000 0.771 228 A CB 1.947 20.924 19.000 -0.038 0.000 1.287 228 A HN 0.916 nan 8.150 nan 0.000 0.436 229 T N -0.163 114.278 114.554 -0.188 0.000 2.890 229 T HA 0.709 5.067 4.350 0.013 0.000 0.295 229 T C -0.571 173.941 174.700 -0.314 0.000 0.993 229 T CA -0.661 61.240 62.100 -0.330 0.000 0.979 229 T CB 0.864 69.434 68.868 -0.497 0.000 0.967 229 T HN 0.692 nan 8.240 nan 0.000 0.441 230 R N 1.955 122.205 120.500 -0.417 0.000 2.711 230 R HA 0.810 5.158 4.340 0.013 0.000 0.284 230 R C -1.139 174.800 176.300 -0.601 0.000 0.968 230 R CA -0.755 55.172 56.100 -0.288 0.000 0.924 230 R CB 1.530 31.758 30.300 -0.120 0.000 1.162 230 R HN 0.542 nan 8.270 nan 0.000 0.465 231 F N 0.389 120.332 119.950 -0.013 0.000 2.611 231 F HA 0.360 4.894 4.527 0.011 0.000 0.324 231 F C 0.528 176.193 175.800 -0.225 0.000 1.061 231 F CA -1.140 56.790 58.000 -0.116 0.000 0.954 231 F CB 1.068 39.902 39.000 -0.277 0.000 1.301 231 F HN 0.536 nan 8.300 nan 0.000 0.482 232 N N 0.098 118.774 118.700 -0.039 0.000 2.364 232 N HA 0.031 4.778 4.740 0.013 0.000 0.264 232 N C 0.481 175.845 175.510 -0.244 0.000 1.263 232 N CA -0.090 52.900 53.050 -0.099 0.000 0.959 232 N CB 0.152 38.609 38.487 -0.051 0.000 1.204 232 N HN 0.685 nan 8.380 nan 0.000 0.550 233 D N -1.326 118.977 120.400 -0.161 0.000 2.182 233 D HA -0.228 4.420 4.640 0.013 0.000 0.201 233 D C 0.256 176.461 176.300 -0.158 0.000 0.986 233 D CA 1.503 55.408 54.000 -0.159 0.000 0.847 233 D CB -0.511 40.257 40.800 -0.053 0.000 0.942 233 D HN 0.731 nan 8.370 nan 0.000 0.467 234 D N -1.675 118.676 120.400 -0.081 0.000 2.462 234 D HA 0.044 4.691 4.640 0.013 0.000 0.221 234 D C 0.068 176.497 176.300 0.216 0.000 1.173 234 D CA -0.978 53.078 54.000 0.093 0.000 0.831 234 D CB -1.017 39.847 40.800 0.106 0.000 1.001 234 D HN 0.196 nan 8.370 nan 0.000 0.499 235 F N 0.341 120.349 119.950 0.097 0.000 2.988 235 F HA -0.294 4.241 4.527 0.012 0.000 0.287 235 F C 1.644 177.526 175.800 0.137 0.000 0.781 235 F CA 0.808 58.878 58.000 0.117 0.000 1.221 235 F CB -2.473 36.486 39.000 -0.068 0.000 1.392 235 F HN 0.212 nan 8.300 nan 0.000 0.425 236 S N -1.358 114.452 115.700 0.183 0.000 2.528 236 S HA 0.284 4.761 4.470 0.013 0.000 0.219 236 S C 0.684 175.341 174.600 0.096 0.000 0.985 236 S CA 0.033 58.311 58.200 0.129 0.000 0.914 236 S CB 0.444 63.692 63.200 0.080 0.000 0.776 236 S HN 0.458 nan 8.310 nan 0.000 0.526 237 R N 0.046 120.607 120.500 0.102 0.000 2.725 237 R HA 0.822 5.170 4.340 0.013 0.000 0.277 237 R C -1.272 175.051 176.300 0.039 0.000 0.987 237 R CA -0.277 55.848 56.100 0.041 0.000 0.901 237 R CB 2.281 32.582 30.300 0.001 0.000 1.207 237 R HN 0.271 nan 8.270 nan 0.000 0.463 238 A N 1.319 124.098 122.820 -0.068 0.000 2.566 238 A HA 0.757 5.084 4.320 0.013 0.000 0.292 238 A C -1.499 175.996 177.584 -0.148 0.000 1.112 238 A CA -0.629 51.281 52.037 -0.212 0.000 0.707 238 A CB 2.066 20.903 19.000 -0.272 0.000 1.302 238 A HN 0.337 nan 8.150 nan 0.000 0.409 239 V N 1.184 120.989 119.914 -0.182 0.000 2.531 239 V HA 0.458 4.586 4.120 0.013 0.000 0.301 239 V C -0.683 175.353 176.094 -0.097 0.000 1.034 239 V CA -0.357 61.881 62.300 -0.103 0.000 0.865 239 V CB 1.482 33.246 31.823 -0.099 0.000 0.995 239 V HN 0.829 nan 8.190 nan 0.000 0.424 240 L N 5.064 126.267 121.223 -0.032 0.000 2.275 240 L HA 0.595 4.943 4.340 0.013 0.000 0.288 240 L C -0.096 176.734 176.870 -0.067 0.000 1.046 240 L CA 0.144 54.940 54.840 -0.073 0.000 0.805 240 L CB 0.855 42.901 42.059 -0.021 0.000 1.193 240 L HN 0.653 nan 8.230 nan 0.000 0.426 241 E N 4.860 125.016 120.200 -0.074 0.000 2.176 241 E HA 0.612 4.969 4.350 0.013 0.000 0.267 241 E C -1.116 175.473 176.600 -0.018 0.000 0.893 241 E CA -0.829 55.545 56.400 -0.044 0.000 0.761 241 E CB 2.033 31.710 29.700 -0.039 0.000 1.133 241 E HN 0.683 nan 8.360 nan 0.000 0.409 242 A N 3.463 126.279 122.820 -0.007 0.000 2.311 242 A HA 0.300 4.628 4.320 0.013 0.000 0.306 242 A C -0.530 177.058 177.584 0.007 0.000 1.189 242 A CA -0.656 51.401 52.037 0.034 0.000 0.791 242 A CB 0.943 19.962 19.000 0.032 0.000 1.172 242 A HN 0.678 nan 8.150 nan 0.000 0.481 243 E N 2.603 122.809 120.200 0.010 0.000 2.174 243 E HA 0.542 4.899 4.350 0.013 0.000 0.282 243 E C -1.360 175.198 176.600 -0.069 0.000 0.992 243 E CA -0.358 56.003 56.400 -0.065 0.000 0.803 243 E CB 1.137 30.762 29.700 -0.125 0.000 1.090 243 E HN 0.371 nan 8.360 nan 0.000 0.396 244 V N 4.915 124.798 119.914 -0.051 0.000 2.540 244 V HA 0.279 4.407 4.120 0.013 0.000 0.302 244 V C -0.473 175.675 176.094 0.091 0.000 1.035 244 V CA -0.789 61.527 62.300 0.028 0.000 0.873 244 V CB 1.711 33.532 31.823 -0.003 0.000 0.992 244 V HN 0.743 nan 8.190 nan 0.000 0.428 245 Q N 4.337 124.209 119.800 0.120 0.000 2.345 245 Q HA 0.841 5.188 4.340 0.013 0.000 0.268 245 Q C -0.866 175.230 176.000 0.160 0.000 1.054 245 Q CA -0.896 54.992 55.803 0.142 0.000 0.835 245 Q CB 2.680 31.432 28.738 0.023 0.000 1.339 245 Q HN 0.804 nan 8.270 nan 0.000 0.447 246 M N -0.932 118.705 119.600 0.061 0.000 2.716 246 M HA 0.749 5.237 4.480 0.013 0.000 0.307 246 M C -1.269 174.963 176.300 -0.113 0.000 1.223 246 M CA -0.510 54.737 55.300 -0.087 0.000 0.871 246 M CB 1.662 34.012 32.600 -0.417 0.000 1.739 246 M HN 0.521 nan 8.290 nan 0.000 0.475 247 C N 0.754 119.993 119.300 -0.103 0.000 2.614 247 C HA 1.022 5.490 4.460 0.013 0.000 0.320 247 C C 0.764 175.690 174.990 -0.106 0.000 1.200 247 C CA 0.758 59.729 59.018 -0.079 0.000 1.700 247 C CB 0.998 28.717 27.740 -0.036 0.000 2.275 247 C HN 1.360 nan 8.230 nan 0.000 0.492 248 G N 1.637 110.383 108.800 -0.090 0.000 2.384 248 G HA2 -0.075 3.892 3.960 0.013 0.000 0.200 248 G HA3 -0.075 3.892 3.960 0.013 0.000 0.200 248 G C -0.683 174.157 174.900 -0.098 0.000 1.205 248 G CA -0.384 44.666 45.100 -0.084 0.000 1.116 248 G HN 0.863 nan 8.290 nan 0.000 0.547 249 E N 0.434 120.583 120.200 -0.086 0.000 1.944 249 E HA 0.376 4.734 4.350 0.013 0.000 0.272 249 E C -0.335 176.173 176.600 -0.154 0.000 1.195 249 E CA -0.551 55.801 56.400 -0.080 0.000 0.926 249 E CB 0.242 29.934 29.700 -0.015 0.000 1.051 249 E HN 0.462 nan 8.360 nan 0.000 0.404 250 L N 6.097 127.208 121.223 -0.185 0.000 2.278 250 L HA 0.285 4.632 4.340 0.013 0.000 0.287 250 L C -0.740 175.969 176.870 -0.268 0.000 1.072 250 L CA 0.244 54.925 54.840 -0.265 0.000 0.819 250 L CB 0.230 42.151 42.059 -0.230 0.000 1.176 250 L HN 0.433 nan 8.230 nan 0.000 0.435 251 R N 2.969 123.219 120.500 -0.417 0.000 2.774 251 R HA 0.265 4.613 4.340 0.013 0.000 0.272 251 R C 0.047 176.024 176.300 -0.539 0.000 1.000 251 R CA -0.808 54.979 56.100 -0.522 0.000 0.906 251 R CB 1.173 30.898 30.300 -0.959 0.000 1.227 251 R HN 0.475 nan 8.270 nan 0.000 0.468 252 D N 0.882 121.087 120.400 -0.325 0.000 2.265 252 D HA -0.156 4.492 4.640 0.013 0.000 0.208 252 D C 1.536 177.764 176.300 -0.121 0.000 0.977 252 D CA 1.653 55.559 54.000 -0.156 0.000 0.871 252 D CB 0.063 40.833 40.800 -0.050 0.000 0.925 252 D HN 0.553 nan 8.370 nan 0.000 0.485 253 Y N -0.358 119.952 120.300 0.017 0.000 2.546 253 Y HA 0.253 4.811 4.550 0.013 0.000 0.287 253 Y C 0.802 176.710 175.900 0.013 0.000 1.158 253 Y CA -0.433 57.676 58.100 0.015 0.000 1.307 253 Y CB -0.881 37.588 38.460 0.014 0.000 1.036 253 Y HN -0.189 nan 8.280 nan 0.000 0.532 254 L N 2.438 123.600 121.223 -0.103 0.000 2.452 254 L HA 0.326 4.674 4.340 0.013 0.000 0.267 254 L C 0.178 177.087 176.870 0.065 0.000 1.188 254 L CA -0.188 54.702 54.840 0.083 0.000 0.821 254 L CB 0.471 42.555 42.059 0.042 0.000 1.102 254 L HN 0.152 nan 8.230 nan 0.000 0.470 255 R N 1.407 121.846 120.500 -0.101 0.000 2.764 255 R HA 0.677 5.025 4.340 0.013 0.000 0.270 255 R C -1.533 174.494 176.300 -0.455 0.000 1.014 255 R CA -0.801 55.092 56.100 -0.345 0.000 0.904 255 R CB 2.021 31.974 30.300 -0.578 0.000 1.236 255 R HN 0.266 nan 8.270 nan 0.000 0.466 256 V N 0.694 120.360 119.914 -0.413 0.000 2.656 256 V HA 0.540 4.668 4.120 0.013 0.000 0.307 256 V C -0.374 175.686 176.094 -0.057 0.000 1.051 256 V CA -0.563 61.590 62.300 -0.244 0.000 0.893 256 V CB 2.331 33.956 31.823 -0.331 0.000 0.999 256 V HN 0.712 nan 8.190 nan 0.000 0.426 257 T N 3.871 118.505 114.554 0.134 0.000 2.809 257 T HA 0.568 4.926 4.350 0.013 0.000 0.284 257 T C -0.606 174.119 174.700 0.041 0.000 0.992 257 T CA -0.311 61.870 62.100 0.134 0.000 0.957 257 T CB 1.523 70.517 68.868 0.211 0.000 0.942 257 T HN 0.344 nan 8.240 nan 0.000 0.439 258 V N 4.158 124.074 119.914 0.003 0.000 2.417 258 V HA 0.683 4.811 4.120 0.013 0.000 0.291 258 V C 0.090 176.194 176.094 0.015 0.000 1.024 258 V CA -0.721 61.577 62.300 -0.003 0.000 0.861 258 V CB 1.612 33.419 31.823 -0.026 0.000 0.985 258 V HN 1.034 nan 8.190 nan 0.000 0.436 259 S N 5.268 121.008 115.700 0.067 0.000 2.542 259 S HA 0.851 5.329 4.470 0.013 0.000 0.293 259 S C -1.123 173.543 174.600 0.111 0.000 1.089 259 S CA -0.778 57.452 58.200 0.051 0.000 0.961 259 S CB 2.117 65.376 63.200 0.098 0.000 1.062 259 S HN 0.534 nan 8.310 nan 0.000 0.483 260 L N 2.387 123.571 121.223 -0.065 0.000 2.333 260 L HA 0.804 5.152 4.340 0.013 0.000 0.280 260 L C -2.000 174.836 176.870 -0.058 0.000 1.004 260 L CA -0.298 54.584 54.840 0.070 0.000 0.820 260 L CB 0.899 42.987 42.059 0.048 0.000 1.247 260 L HN 0.889 nan 8.230 nan 0.000 0.416 261 W N 3.623 125.033 121.300 0.183 0.000 2.819 261 W HA 0.551 5.218 4.660 0.013 0.000 0.337 261 W C -0.527 176.107 176.519 0.193 0.000 1.077 261 W CA -0.476 56.958 57.345 0.148 0.000 1.226 261 W CB 1.424 30.919 29.460 0.057 0.000 1.419 261 W HN 0.407 nan 8.180 nan 0.000 0.502 262 Q N 2.741 122.711 119.800 0.284 0.000 2.462 262 Q HA 0.471 4.818 4.340 0.013 0.000 0.247 262 Q C 0.785 176.832 176.000 0.078 0.000 1.044 262 Q CA 0.568 56.392 55.803 0.035 0.000 0.803 262 Q CB 0.491 29.178 28.738 -0.086 0.000 1.190 262 Q HN 0.803 nan 8.270 nan 0.000 0.507 263 G N 3.244 112.086 108.800 0.069 0.000 2.556 263 G HA2 -0.361 3.607 3.960 0.013 0.000 0.283 263 G HA3 -0.361 3.607 3.960 0.013 0.000 0.283 263 G C 0.277 175.274 174.900 0.160 0.000 1.177 263 G CA 0.356 45.498 45.100 0.070 0.000 0.978 263 G HN 0.714 nan 8.290 nan 0.000 0.554 264 E N 0.860 121.146 120.200 0.144 0.000 2.476 264 E HA 0.216 4.573 4.350 0.013 0.000 0.191 264 E C 0.292 177.112 176.600 0.367 0.000 1.064 264 E CA 0.513 57.036 56.400 0.206 0.000 0.866 264 E CB 0.173 29.930 29.700 0.095 0.000 0.952 264 E HN 0.332 nan 8.360 nan 0.000 0.492 265 T N 0.992 115.718 114.554 0.287 0.000 2.795 265 T HA 0.134 4.491 4.350 0.013 0.000 0.282 265 T C -0.325 174.369 174.700 -0.010 0.000 0.980 265 T CA -0.515 61.678 62.100 0.155 0.000 1.012 265 T CB 1.755 70.658 68.868 0.057 0.000 0.936 265 T HN 0.020 nan 8.240 nan 0.000 0.457 266 Q N 2.766 122.298 119.800 -0.445 0.000 2.314 266 Q HA 0.315 4.663 4.340 0.013 0.000 0.257 266 Q C 0.978 176.707 176.000 -0.452 0.000 0.975 266 Q CA -0.492 54.709 55.803 -1.003 0.000 0.933 266 Q CB 0.809 28.666 28.738 -1.468 0.000 1.195 266 Q HN 0.692 nan 8.270 nan 0.000 0.426 267 V N 1.242 120.968 119.914 -0.313 0.000 2.992 267 V HA 0.555 4.682 4.120 0.013 0.000 0.250 267 V C 0.315 176.313 176.094 -0.160 0.000 1.090 267 V CA 0.914 63.126 62.300 -0.147 0.000 1.101 267 V CB 0.038 31.861 31.823 0.000 0.000 0.743 267 V HN 0.661 nan 8.190 nan 0.000 0.468 268 A N -1.031 121.664 122.820 -0.209 0.000 2.601 268 A HA 0.811 5.139 4.320 0.013 0.000 0.291 268 A C -0.647 176.836 177.584 -0.168 0.000 1.075 268 A CA 0.207 52.151 52.037 -0.154 0.000 0.671 268 A CB 1.416 20.354 19.000 -0.103 0.000 1.277 268 A HN 0.717 nan 8.150 nan 0.000 0.417 269 S N -1.350 114.281 115.700 -0.116 0.000 2.552 269 S HA 0.766 5.244 4.470 0.013 0.000 0.272 269 S C -0.655 173.911 174.600 -0.058 0.000 1.150 269 S CA 0.206 58.352 58.200 -0.090 0.000 0.849 269 S CB 1.649 64.787 63.200 -0.104 0.000 1.113 269 S HN 2.353 nan 8.310 nan 0.000 0.458 270 G N 1.459 110.236 108.800 -0.038 0.000 2.706 270 G HA2 0.641 4.609 3.960 0.013 0.000 0.297 270 G HA3 0.641 4.609 3.960 0.013 0.000 0.297 270 G C -1.448 173.442 174.900 -0.017 0.000 1.403 270 G CA -0.393 44.688 45.100 -0.032 0.000 0.954 270 G HN 0.688 nan 8.290 nan 0.000 0.500 271 T N -0.055 114.491 114.554 -0.013 0.000 2.876 271 T HA 0.848 5.206 4.350 0.013 0.000 0.289 271 T C -0.262 174.411 174.700 -0.045 0.000 1.014 271 T CA -0.065 62.035 62.100 0.001 0.000 0.986 271 T CB 1.788 70.692 68.868 0.061 0.000 1.021 271 T HN 1.510 nan 8.240 nan 0.000 0.458 272 A N 3.626 126.386 122.820 -0.100 0.000 2.612 272 A HA 0.915 5.243 4.320 0.013 0.000 0.293 272 A C -3.086 174.388 177.584 -0.184 0.000 1.075 272 A CA -1.607 50.358 52.037 -0.121 0.000 0.680 272 A CB 1.301 20.223 19.000 -0.130 0.000 1.279 272 A HN 0.532 nan 8.150 nan 0.000 0.411 273 P HA 0.536 nan 4.420 nan 0.000 0.278 273 P C -0.636 176.571 177.300 -0.155 0.000 1.266 273 P CA -0.265 62.770 63.100 -0.108 0.000 0.807 273 P CB 0.378 32.060 31.700 -0.030 0.000 1.094 274 F N -0.196 119.710 119.950 -0.074 0.000 2.406 274 F HA 0.484 5.019 4.527 0.013 0.000 0.327 274 F C 1.421 177.199 175.800 -0.037 0.000 1.153 274 F CA 1.449 59.416 58.000 -0.056 0.000 1.218 274 F CB 0.289 39.249 39.000 -0.067 0.000 1.215 274 F HN 0.583 nan 8.300 nan 0.000 0.570 275 G N 1.527 110.433 108.800 0.177 0.000 3.071 275 G HA2 0.338 4.305 3.960 0.013 0.000 0.620 275 G HA3 0.338 4.305 3.960 0.013 0.000 0.620 275 G C -0.393 174.550 174.900 0.071 0.000 1.204 275 G CA -0.746 44.420 45.100 0.111 0.000 1.200 275 G HN 1.046 nan 8.290 nan 0.000 0.530 276 G N 1.008 109.871 108.800 0.105 0.000 2.588 276 G HA2 0.667 4.635 3.960 0.013 0.000 0.278 276 G HA3 0.667 4.635 3.960 0.013 0.000 0.278 276 G C 0.510 175.448 174.900 0.062 0.000 1.307 276 G CA 0.040 45.189 45.100 0.083 0.000 1.016 276 G HN 0.983 nan 8.290 nan 0.000 0.503 277 E N -0.550 119.680 120.200 0.051 0.000 2.409 277 E HA 0.090 4.448 4.350 0.013 0.000 0.257 277 E C 0.047 176.669 176.600 0.037 0.000 1.150 277 E CA -0.451 55.969 56.400 0.034 0.000 0.942 277 E CB 0.888 30.604 29.700 0.026 0.000 0.979 277 E HN 0.308 nan 8.360 nan 0.000 0.447 278 I N 1.424 122.004 120.570 0.017 0.000 2.710 278 I HA -0.095 4.082 4.170 0.013 0.000 0.286 278 I C 1.429 177.554 176.117 0.014 0.000 1.181 278 I CA 0.399 61.702 61.300 0.005 0.000 1.430 278 I CB 0.240 38.238 38.000 -0.003 0.000 1.367 278 I HN 0.570 nan 8.210 nan 0.000 0.577 279 I N 1.206 121.779 120.570 0.006 0.000 4.312 279 I HA 0.341 4.518 4.170 0.013 0.000 0.324 279 I C -0.280 175.839 176.117 0.003 0.000 1.298 279 I CA -0.077 61.236 61.300 0.022 0.000 1.231 279 I CB 0.542 38.581 38.000 0.065 0.000 1.152 279 I HN 0.607 nan 8.210 nan 0.000 0.421 280 D N -0.350 120.038 120.400 -0.020 0.000 2.838 280 D HA 0.172 4.820 4.640 0.013 0.000 0.334 280 D C 0.194 176.478 176.300 -0.027 0.000 1.315 280 D CA -0.511 53.478 54.000 -0.019 0.000 0.917 280 D CB 0.588 41.378 40.800 -0.018 0.000 1.435 280 D HN -0.141 nan 8.370 nan 0.000 0.517 281 E N -1.010 119.177 120.200 -0.022 0.000 2.331 281 E HA -0.066 4.291 4.350 0.013 0.000 0.199 281 E C 1.250 177.832 176.600 -0.031 0.000 1.008 281 E CA 1.011 57.398 56.400 -0.022 0.000 0.843 281 E CB -0.027 29.664 29.700 -0.016 0.000 0.761 281 E HN 0.228 nan 8.360 nan 0.000 0.507 282 R N -0.568 119.905 120.500 -0.044 0.000 2.334 282 R HA 0.305 4.652 4.340 0.013 0.000 0.216 282 R C 0.842 177.099 176.300 -0.071 0.000 0.905 282 R CA 0.678 56.745 56.100 -0.056 0.000 1.064 282 R CB 0.815 31.077 30.300 -0.063 0.000 1.046 282 R HN 0.203 nan 8.270 nan 0.000 0.508 283 G N -0.457 108.303 108.800 -0.067 0.000 2.358 283 G HA2 -0.081 3.886 3.960 0.013 0.000 0.198 283 G HA3 -0.081 3.886 3.960 0.013 0.000 0.198 283 G C -0.343 174.503 174.900 -0.091 0.000 1.220 283 G CA -0.619 44.440 45.100 -0.069 0.000 1.187 283 G HN 0.462 nan 8.290 nan 0.000 0.544 284 G N -2.002 106.736 108.800 -0.104 0.000 3.022 284 G HA2 0.639 4.607 3.960 0.013 0.000 0.284 284 G HA3 0.639 4.607 3.960 0.013 0.000 0.284 284 G C -1.588 173.195 174.900 -0.195 0.000 1.375 284 G CA -0.709 44.329 45.100 -0.104 0.000 0.902 284 G HN 0.781 nan 8.290 nan 0.000 0.538 285 Y N 1.140 121.451 120.300 0.018 0.000 2.556 285 Y HA 0.405 4.963 4.550 0.012 0.000 0.352 285 Y C 1.464 177.389 175.900 0.041 0.000 1.006 285 Y CA 0.225 58.340 58.100 0.026 0.000 1.277 285 Y CB 1.541 40.021 38.460 0.034 0.000 1.136 285 Y HN 0.546 nan 8.280 nan 0.000 0.523 286 A N 1.716 124.597 122.820 0.102 0.000 2.167 286 A HA -0.109 4.219 4.320 0.013 0.000 0.214 286 A C 1.235 178.890 177.584 0.118 0.000 1.151 286 A CA 1.127 53.216 52.037 0.087 0.000 0.735 286 A CB -0.251 18.758 19.000 0.015 0.000 0.802 286 A HN 0.768 nan 8.150 nan 0.000 0.467 287 D N -0.919 119.564 120.400 0.138 0.000 2.427 287 D HA 0.170 4.817 4.640 0.013 0.000 0.224 287 D C 0.442 176.896 176.300 0.257 0.000 1.157 287 D CA -0.061 53.968 54.000 0.049 0.000 0.828 287 D CB 0.020 40.813 40.800 -0.010 0.000 0.974 287 D HN 0.347 nan 8.370 nan 0.000 0.498 288 R N -0.732 120.003 120.500 0.392 0.000 2.836 288 R HA 0.746 5.094 4.340 0.013 0.000 0.269 288 R C -1.669 174.744 176.300 0.188 0.000 1.010 288 R CA -1.155 55.131 56.100 0.311 0.000 0.930 288 R CB 3.116 33.477 30.300 0.102 0.000 1.218 288 R HN -0.019 nan 8.270 nan 0.000 0.473 289 V N 0.436 120.331 119.914 -0.032 0.000 2.969 289 V HA 0.458 4.586 4.120 0.013 0.000 0.304 289 V C -1.510 174.503 176.094 -0.135 0.000 1.192 289 V CA -0.279 61.920 62.300 -0.168 0.000 0.962 289 V CB 2.668 34.209 31.823 -0.470 0.000 1.045 289 V HN 0.796 nan 8.190 nan 0.000 0.428 290 T N 7.700 122.196 114.554 -0.097 0.000 2.770 290 T HA 0.592 4.950 4.350 0.013 0.000 0.283 290 T C -0.840 173.814 174.700 -0.077 0.000 0.988 290 T CA -0.377 61.680 62.100 -0.072 0.000 0.957 290 T CB 0.966 69.808 68.868 -0.043 0.000 0.930 290 T HN 0.427 nan 8.240 nan 0.000 0.443 291 L N 3.758 124.937 121.223 -0.074 0.000 2.325 291 L HA 0.594 4.942 4.340 0.013 0.000 0.278 291 L C 0.389 177.229 176.870 -0.050 0.000 1.023 291 L CA -0.464 54.336 54.840 -0.068 0.000 0.811 291 L CB 1.510 43.529 42.059 -0.068 0.000 1.249 291 L HN 0.556 nan 8.230 nan 0.000 0.431 292 R N 3.445 123.917 120.500 -0.047 0.000 2.476 292 R HA 0.624 4.972 4.340 0.013 0.000 0.305 292 R C -1.449 174.825 176.300 -0.043 0.000 0.965 292 R CA -0.981 55.093 56.100 -0.044 0.000 0.867 292 R CB 2.190 32.465 30.300 -0.043 0.000 1.176 292 R HN 0.230 nan 8.270 nan 0.000 0.447 293 L N 2.753 123.952 121.223 -0.041 0.000 2.333 293 L HA 0.361 4.709 4.340 0.013 0.000 0.280 293 L C -0.154 176.691 176.870 -0.043 0.000 1.004 293 L CA -0.541 54.275 54.840 -0.041 0.000 0.820 293 L CB 1.516 43.556 42.059 -0.031 0.000 1.247 293 L HN 0.439 nan 8.230 nan 0.000 0.416 294 N N 2.220 120.889 118.700 -0.052 0.000 2.499 294 N HA 0.512 5.259 4.740 0.013 0.000 0.281 294 N C -1.066 174.397 175.510 -0.078 0.000 1.098 294 N CA -0.217 52.797 53.050 -0.060 0.000 0.979 294 N CB 2.289 40.742 38.487 -0.055 0.000 1.121 294 N HN 0.210 nan 8.380 nan 0.000 0.466 295 V N 2.078 121.929 119.914 -0.104 0.000 2.482 295 V HA 0.189 4.316 4.120 0.013 0.000 0.295 295 V C -0.220 175.783 176.094 -0.152 0.000 1.026 295 V CA -0.875 61.323 62.300 -0.171 0.000 0.856 295 V CB 1.987 33.608 31.823 -0.337 0.000 1.001 295 V HN 0.461 nan 8.190 nan 0.000 0.424 296 E N 2.785 122.921 120.200 -0.107 0.000 2.283 296 E HA 0.306 4.664 4.350 0.013 0.000 0.278 296 E C 0.255 176.824 176.600 -0.051 0.000 1.027 296 E CA -0.356 56.007 56.400 -0.062 0.000 0.843 296 E CB 0.640 30.316 29.700 -0.039 0.000 1.062 296 E HN 0.741 nan 8.360 nan 0.000 0.401 297 N N 1.372 120.067 118.700 -0.010 0.000 2.688 297 N HA -0.152 4.595 4.740 0.013 0.000 0.258 297 N C -2.476 173.035 175.510 0.002 0.000 1.016 297 N CA 0.122 53.183 53.050 0.019 0.000 0.747 297 N CB -0.912 37.586 38.487 0.019 0.000 0.895 297 N HN 0.300 nan 8.380 nan 0.000 0.543 298 P HA 0.008 nan 4.420 nan 0.000 0.269 298 P C -0.399 176.936 177.300 0.058 0.000 1.209 298 P CA 0.306 63.313 63.100 -0.154 0.000 0.776 298 P CB 0.742 32.180 31.700 -0.436 0.000 0.876 299 K N 2.574 123.094 120.400 0.201 0.000 2.316 299 K HA 0.277 4.605 4.320 0.013 0.000 0.289 299 K C 0.214 176.978 176.600 0.274 0.000 1.070 299 K CA -0.357 56.039 56.287 0.182 0.000 0.928 299 K CB 0.209 32.773 32.500 0.106 0.000 1.039 299 K HN 0.436 nan 8.250 nan 0.000 0.480 300 L N 2.508 123.816 121.223 0.141 0.000 2.395 300 L HA 0.304 4.652 4.340 0.013 0.000 0.269 300 L C -0.012 176.935 176.870 0.128 0.000 1.133 300 L CA -0.814 54.107 54.840 0.136 0.000 0.812 300 L CB 0.453 42.428 42.059 -0.140 0.000 1.125 300 L HN 0.597 nan 8.230 nan 0.000 0.452 301 W N 2.834 124.156 121.300 0.037 0.000 2.438 301 W HA 0.502 5.169 4.660 0.012 0.000 0.324 301 W C -0.035 176.433 176.519 -0.084 0.000 1.119 301 W CA 0.095 57.449 57.345 0.015 0.000 1.221 301 W CB 1.393 30.914 29.460 0.102 0.000 1.253 301 W HN 0.618 nan 8.180 nan 0.000 0.555 302 S N 2.737 117.908 115.700 -0.883 0.000 2.643 302 S HA 0.640 5.117 4.470 0.013 0.000 0.270 302 S C 0.063 173.871 174.600 -1.319 0.000 1.166 302 S CA -0.349 57.385 58.200 -0.776 0.000 0.815 302 S CB 1.071 64.110 63.200 -0.269 0.000 1.139 302 S HN 0.986 nan 8.310 nan 0.000 0.472 303 A N 0.352 122.568 122.820 -1.006 0.000 2.066 303 A HA 0.091 4.419 4.320 0.013 0.000 0.218 303 A C 1.745 179.011 177.584 -0.530 0.000 1.157 303 A CA 1.345 52.808 52.037 -0.958 0.000 0.670 303 A CB -0.936 17.382 19.000 -1.136 0.000 0.804 303 A HN 0.858 nan 8.150 nan 0.000 0.453 304 E N -0.719 119.306 120.200 -0.291 0.000 2.072 304 E HA 0.025 4.383 4.350 0.013 0.000 0.190 304 E C -0.274 176.189 176.600 -0.227 0.000 0.982 304 E CA 0.746 57.034 56.400 -0.186 0.000 0.803 304 E CB -0.004 29.715 29.700 0.031 0.000 0.755 304 E HN 0.615 nan 8.360 nan 0.000 0.453 305 I N 1.632 122.044 120.570 -0.265 0.000 2.542 305 I HA 0.157 4.335 4.170 0.013 0.000 0.278 305 I C -2.494 173.400 176.117 -0.371 0.000 1.069 305 I CA -1.925 59.236 61.300 -0.232 0.000 1.100 305 I CB 2.172 40.085 38.000 -0.145 0.000 1.204 305 I HN -0.211 nan 8.210 nan 0.000 0.470 306 P HA 0.096 nan 4.420 nan 0.000 0.226 306 P C -0.594 176.676 177.300 -0.050 0.000 1.783 306 P CA -0.248 62.543 63.100 -0.515 0.000 0.980 306 P CB -0.266 31.286 31.700 -0.247 0.000 1.967 307 N N 1.621 120.317 118.700 -0.007 0.000 2.454 307 N HA 0.150 4.898 4.740 0.013 0.000 0.260 307 N C 0.113 175.821 175.510 0.330 0.000 1.218 307 N CA 0.462 53.580 53.050 0.113 0.000 0.904 307 N CB 0.710 39.259 38.487 0.104 0.000 1.065 307 N HN 0.285 nan 8.380 nan 0.000 0.462 308 L N 1.973 123.320 121.223 0.206 0.000 2.393 308 L HA 0.484 4.832 4.340 0.013 0.000 0.260 308 L C -0.940 176.009 176.870 0.132 0.000 1.002 308 L CA -0.845 54.170 54.840 0.292 0.000 0.818 308 L CB 1.431 43.632 42.059 0.236 0.000 1.369 308 L HN 0.396 nan 8.230 nan 0.000 0.412 309 Y N 0.017 120.466 120.300 0.248 0.000 2.630 309 Y HA 0.652 5.210 4.550 0.013 0.000 0.337 309 Y C -0.266 175.753 175.900 0.199 0.000 1.051 309 Y CA -0.795 57.450 58.100 0.242 0.000 1.121 309 Y CB 1.829 40.493 38.460 0.341 0.000 1.299 309 Y HN 0.371 nan 8.280 nan 0.000 0.498 310 R N 1.126 121.855 120.500 0.381 0.000 2.387 310 R HA 0.800 5.148 4.340 0.013 0.000 0.314 310 R C -1.602 174.875 176.300 0.296 0.000 0.958 310 R CA -0.493 55.760 56.100 0.255 0.000 0.846 310 R CB 1.023 31.404 30.300 0.136 0.000 1.147 310 R HN 0.731 nan 8.270 nan 0.000 0.447 311 A N 3.913 126.852 122.820 0.198 0.000 2.288 311 A HA 0.614 4.941 4.320 0.013 0.000 0.320 311 A C -1.062 176.571 177.584 0.082 0.000 1.217 311 A CA -0.662 51.474 52.037 0.165 0.000 0.840 311 A CB 1.311 20.378 19.000 0.111 0.000 1.179 311 A HN 0.495 nan 8.150 nan 0.000 0.504 312 V N 3.352 123.320 119.914 0.090 0.000 2.417 312 V HA 0.360 4.487 4.120 0.013 0.000 0.291 312 V C -0.332 175.732 176.094 -0.050 0.000 1.024 312 V CA -0.483 61.808 62.300 -0.015 0.000 0.861 312 V CB 1.624 33.444 31.823 -0.004 0.000 0.985 312 V HN 0.611 nan 8.190 nan 0.000 0.436 313 V N 4.915 124.732 119.914 -0.161 0.000 2.294 313 V HA 0.374 4.502 4.120 0.013 0.000 0.272 313 V C 0.055 176.087 176.094 -0.103 0.000 1.027 313 V CA -0.554 61.627 62.300 -0.199 0.000 0.823 313 V CB 0.907 32.448 31.823 -0.469 0.000 1.030 313 V HN 0.909 nan 8.190 nan 0.000 0.457 314 E N 3.825 124.022 120.200 -0.006 0.000 2.156 314 E HA 0.465 4.823 4.350 0.013 0.000 0.279 314 E C -0.852 175.847 176.600 0.166 0.000 0.965 314 E CA -0.806 55.639 56.400 0.074 0.000 0.789 314 E CB 2.293 32.050 29.700 0.095 0.000 1.098 314 E HN 0.466 nan 8.360 nan 0.000 0.397 315 L N 4.867 126.169 121.223 0.131 0.000 2.264 315 L HA 0.373 4.721 4.340 0.013 0.000 0.289 315 L C -0.910 176.084 176.870 0.207 0.000 1.044 315 L CA 0.141 55.062 54.840 0.134 0.000 0.807 315 L CB 0.005 42.121 42.059 0.096 0.000 1.192 315 L HN 0.667 nan 8.230 nan 0.000 0.425 316 H N 0.044 119.173 119.070 0.099 0.000 2.948 316 H HA 0.711 5.275 4.556 0.013 0.000 0.315 316 H C -0.743 174.669 175.328 0.139 0.000 1.360 316 H CA -0.568 55.534 56.048 0.090 0.000 1.125 316 H CB 0.545 30.338 29.762 0.052 0.000 1.844 316 H HN 0.518 nan 8.280 nan 0.000 0.529 317 T N -1.798 112.902 114.554 0.244 0.000 2.882 317 T HA 0.490 4.847 4.350 0.013 0.000 0.287 317 T C 1.418 176.266 174.700 0.247 0.000 1.014 317 T CA -0.314 61.914 62.100 0.214 0.000 1.049 317 T CB 1.454 70.362 68.868 0.066 0.000 1.001 317 T HN 0.914 nan 8.240 nan 0.000 0.525 318 A N 1.112 124.043 122.820 0.184 0.000 1.972 318 A HA -0.053 4.274 4.320 0.013 0.000 0.219 318 A C 1.820 179.507 177.584 0.171 0.000 1.169 318 A CA 1.358 53.499 52.037 0.173 0.000 0.635 318 A CB -0.835 18.236 19.000 0.118 0.000 0.810 318 A HN 0.861 nan 8.150 nan 0.000 0.446 319 D N -1.313 119.157 120.400 0.116 0.000 2.378 319 D HA 0.238 4.886 4.640 0.013 0.000 0.227 319 D C 1.304 177.640 176.300 0.061 0.000 1.012 319 D CA 1.223 55.262 54.000 0.066 0.000 0.905 319 D CB 0.074 40.889 40.800 0.026 0.000 0.895 319 D HN 0.635 nan 8.370 nan 0.000 0.532 320 G N -0.398 108.467 108.800 0.108 0.000 2.205 320 G HA2 -0.201 3.767 3.960 0.013 0.000 0.180 320 G HA3 -0.201 3.767 3.960 0.013 0.000 0.180 320 G C 0.381 175.299 174.900 0.030 0.000 1.004 320 G CA -0.195 44.931 45.100 0.043 0.000 0.670 320 G HN 0.242 nan 8.290 nan 0.000 0.496 321 T N 1.807 116.403 114.554 0.069 0.000 2.728 321 T HA 0.517 4.875 4.350 0.013 0.000 0.296 321 T C 0.201 174.959 174.700 0.095 0.000 0.940 321 T CA -0.231 61.897 62.100 0.048 0.000 1.013 321 T CB 1.746 70.627 68.868 0.022 0.000 0.912 321 T HN 0.554 nan 8.240 nan 0.000 0.484 322 L N 5.504 126.760 121.223 0.054 0.000 2.418 322 L HA 0.322 4.670 4.340 0.013 0.000 0.274 322 L C 0.897 177.810 176.870 0.072 0.000 1.135 322 L CA 0.388 55.274 54.840 0.077 0.000 0.870 322 L CB -0.030 42.044 42.059 0.025 0.000 1.154 322 L HN 0.693 nan 8.230 nan 0.000 0.462 323 I N 3.104 123.731 120.570 0.095 0.000 2.270 323 I HA 0.026 4.203 4.170 0.013 0.000 0.239 323 I C 0.427 176.566 176.117 0.037 0.000 1.080 323 I CA 0.779 62.115 61.300 0.061 0.000 1.383 323 I CB 0.044 38.086 38.000 0.070 0.000 1.097 323 I HN 0.810 nan 8.210 nan 0.000 0.420 324 E N 0.008 120.231 120.200 0.038 0.000 2.416 324 E HA 0.722 5.080 4.350 0.013 0.000 0.280 324 E C -1.442 175.176 176.600 0.030 0.000 1.055 324 E CA -1.098 55.316 56.400 0.022 0.000 0.825 324 E CB 1.816 31.499 29.700 -0.028 0.000 1.312 324 E HN 0.017 nan 8.360 nan 0.000 0.452 325 A N 1.311 124.170 122.820 0.065 0.000 2.414 325 A HA 0.693 5.020 4.320 0.013 0.000 0.306 325 A C -0.945 176.723 177.584 0.141 0.000 1.054 325 A CA -0.743 51.330 52.037 0.060 0.000 0.724 325 A CB 1.565 20.597 19.000 0.053 0.000 1.267 325 A HN 0.527 nan 8.150 nan 0.000 0.418 326 E N -0.310 119.905 120.200 0.025 0.000 2.339 326 E HA 0.846 5.204 4.350 0.013 0.000 0.262 326 E C -0.466 176.145 176.600 0.017 0.000 0.934 326 E CA -0.548 55.913 56.400 0.101 0.000 0.802 326 E CB 2.380 32.037 29.700 -0.072 0.000 1.275 326 E HN 1.199 nan 8.360 nan 0.000 0.427 327 A N -0.170 122.768 122.820 0.197 0.000 2.566 327 A HA 0.697 5.025 4.320 0.013 0.000 0.290 327 A C -1.233 176.532 177.584 0.303 0.000 1.071 327 A CA -0.367 51.726 52.037 0.093 0.000 0.658 327 A CB 0.693 19.682 19.000 -0.017 0.000 1.285 327 A HN 0.884 nan 8.150 nan 0.000 0.427 328 C N -0.681 118.757 119.300 0.230 0.000 3.311 328 C HA 0.801 5.268 4.460 0.013 0.000 0.325 328 C C -1.446 173.638 174.990 0.157 0.000 1.352 328 C CA -0.927 58.231 59.018 0.233 0.000 1.308 328 C CB 1.069 28.968 27.740 0.265 0.000 1.619 328 C HN 0.820 nan 8.230 nan 0.000 0.469 329 D N 1.151 121.629 120.400 0.130 0.000 2.304 329 D HA 0.539 5.186 4.640 0.013 0.000 0.250 329 D C -0.306 176.049 176.300 0.091 0.000 1.107 329 D CA 0.195 54.273 54.000 0.130 0.000 0.885 329 D CB 1.836 42.715 40.800 0.132 0.000 1.192 329 D HN 0.546 nan 8.370 nan 0.000 0.436 330 V N 1.291 121.285 119.914 0.133 0.000 2.495 330 V HA 0.656 4.784 4.120 0.013 0.000 0.298 330 V C 0.628 176.789 176.094 0.111 0.000 1.031 330 V CA -0.834 61.491 62.300 0.042 0.000 0.871 330 V CB 2.037 33.868 31.823 0.013 0.000 0.988 330 V HN 0.607 nan 8.190 nan 0.000 0.432 331 G N 3.158 111.924 108.800 -0.057 0.000 2.468 331 G HA2 0.582 4.549 3.960 0.013 0.000 0.315 331 G HA3 0.582 4.549 3.960 0.013 0.000 0.315 331 G C -0.921 174.057 174.900 0.131 0.000 1.203 331 G CA -0.371 44.770 45.100 0.069 0.000 0.962 331 G HN 0.442 nan 8.290 nan 0.000 0.476 332 F N 4.148 124.294 119.950 0.327 0.000 2.462 332 F HA 0.405 4.940 4.527 0.012 0.000 0.360 332 F C 1.171 177.227 175.800 0.426 0.000 1.134 332 F CA 0.026 58.277 58.000 0.419 0.000 1.148 332 F CB 0.607 39.872 39.000 0.441 0.000 1.147 332 F HN 0.454 nan 8.300 nan 0.000 0.550 333 R N 3.199 123.994 120.500 0.493 0.000 2.663 333 R HA 0.414 4.762 4.340 0.013 0.000 0.267 333 R C -1.870 174.600 176.300 0.284 0.000 1.038 333 R CA -0.808 55.428 56.100 0.226 0.000 0.886 333 R CB 1.614 32.069 30.300 0.259 0.000 1.249 333 R HN 0.587 nan 8.270 nan 0.000 0.463 334 E N 2.119 122.388 120.200 0.114 0.000 2.199 334 E HA 0.492 4.850 4.350 0.013 0.000 0.269 334 E C -1.267 175.407 176.600 0.123 0.000 0.899 334 E CA -0.927 55.614 56.400 0.235 0.000 0.772 334 E CB 2.184 32.107 29.700 0.372 0.000 1.155 334 E HN 0.396 nan 8.360 nan 0.000 0.408 335 V N 5.266 125.248 119.914 0.113 0.000 2.448 335 V HA 0.607 4.734 4.120 0.013 0.000 0.295 335 V C -0.259 175.877 176.094 0.070 0.000 1.025 335 V CA -0.653 61.684 62.300 0.063 0.000 0.859 335 V CB 1.281 33.120 31.823 0.026 0.000 0.988 335 V HN 0.767 nan 8.190 nan 0.000 0.431 336 R N 4.072 124.608 120.500 0.061 0.000 2.663 336 R HA 0.700 5.048 4.340 0.013 0.000 0.267 336 R C -2.152 174.177 176.300 0.048 0.000 1.038 336 R CA -0.916 55.223 56.100 0.065 0.000 0.886 336 R CB 1.841 32.194 30.300 0.088 0.000 1.249 336 R HN 0.520 nan 8.270 nan 0.000 0.463 337 I N 1.344 121.941 120.570 0.046 0.000 2.354 337 I HA 0.345 4.523 4.170 0.013 0.000 0.292 337 I C -0.648 175.493 176.117 0.040 0.000 0.989 337 I CA -0.437 60.884 61.300 0.035 0.000 1.188 337 I CB 1.878 39.899 38.000 0.036 0.000 1.342 337 I HN 0.705 nan 8.210 nan 0.000 0.457 338 E N 5.885 126.106 120.200 0.034 0.000 2.278 338 E HA 0.265 4.622 4.350 0.013 0.000 0.272 338 E C -0.257 176.359 176.600 0.026 0.000 0.890 338 E CA -0.499 55.922 56.400 0.036 0.000 0.770 338 E CB 0.990 30.717 29.700 0.045 0.000 1.212 338 E HN 0.534 nan 8.360 nan 0.000 0.415 339 N N 3.149 121.864 118.700 0.025 0.000 2.741 339 N HA -0.224 4.524 4.740 0.013 0.000 0.250 339 N C 0.438 175.956 175.510 0.013 0.000 1.115 339 N CA 2.075 55.136 53.050 0.019 0.000 0.724 339 N CB -1.151 37.346 38.487 0.017 0.000 1.090 339 N HN 0.981 nan 8.380 nan 0.000 0.558 340 G N -2.302 106.507 108.800 0.014 0.000 2.175 340 G HA2 -0.270 3.697 3.960 0.013 0.000 0.244 340 G HA3 -0.270 3.697 3.960 0.013 0.000 0.244 340 G C -0.114 174.783 174.900 -0.005 0.000 0.982 340 G CA 0.410 45.514 45.100 0.007 0.000 0.641 340 G HN 0.432 nan 8.290 nan 0.000 0.527 341 L N 0.113 121.334 121.223 -0.004 0.000 2.346 341 L HA 0.721 5.068 4.340 0.013 0.000 0.274 341 L C 0.034 176.895 176.870 -0.016 0.000 1.007 341 L CA -1.346 53.483 54.840 -0.018 0.000 0.818 341 L CB 1.875 43.924 42.059 -0.017 0.000 1.284 341 L HN 0.098 nan 8.230 nan 0.000 0.424 342 L N 4.217 125.417 121.223 -0.037 0.000 2.278 342 L HA 0.449 4.797 4.340 0.013 0.000 0.287 342 L C -0.855 175.990 176.870 -0.042 0.000 1.072 342 L CA 0.380 55.197 54.840 -0.037 0.000 0.819 342 L CB 0.332 42.353 42.059 -0.065 0.000 1.176 342 L HN 0.368 nan 8.230 nan 0.000 0.435 343 L N 5.835 127.051 121.223 -0.012 0.000 2.346 343 L HA 0.558 4.905 4.340 0.013 0.000 0.274 343 L C -0.848 176.027 176.870 0.007 0.000 1.007 343 L CA -0.855 53.986 54.840 0.001 0.000 0.818 343 L CB 1.954 44.038 42.059 0.041 0.000 1.284 343 L HN 0.532 nan 8.230 nan 0.000 0.424 344 L N 3.496 124.734 121.223 0.024 0.000 2.349 344 L HA 0.488 4.836 4.340 0.013 0.000 0.278 344 L C -0.132 176.746 176.870 0.013 0.000 0.996 344 L CA -0.039 54.825 54.840 0.040 0.000 0.825 344 L CB 0.979 43.084 42.059 0.076 0.000 1.243 344 L HN 0.588 nan 8.230 nan 0.000 0.412 345 N N 4.157 122.719 118.700 -0.231 0.000 2.710 345 N HA -0.224 4.523 4.740 0.013 0.000 0.249 345 N C 0.922 176.052 175.510 -0.632 0.000 1.059 345 N CA 1.376 53.927 53.050 -0.830 0.000 0.720 345 N CB -1.237 36.687 38.487 -0.938 0.000 0.983 345 N HN 1.171 nan 8.380 nan 0.000 0.544 346 G N -2.248 106.489 108.800 -0.105 0.000 2.179 346 G HA2 -0.342 3.625 3.960 0.013 0.000 0.260 346 G HA3 -0.342 3.625 3.960 0.013 0.000 0.260 346 G C -0.062 174.878 174.900 0.068 0.000 0.977 346 G CA 0.869 46.033 45.100 0.108 0.000 0.641 346 G HN 0.411 nan 8.290 nan 0.000 0.533 347 K N 0.464 120.895 120.400 0.052 0.000 2.318 347 K HA 0.559 4.887 4.320 0.013 0.000 0.249 347 K C -2.874 173.704 176.600 -0.036 0.000 0.942 347 K CA -2.230 54.051 56.287 -0.010 0.000 0.808 347 K CB 2.565 34.997 32.500 -0.113 0.000 1.189 347 K HN 0.010 nan 8.250 nan 0.000 0.428 348 P HA 0.221 nan 4.420 nan 0.000 0.276 348 P C -0.111 177.123 177.300 -0.111 0.000 1.253 348 P CA -0.240 62.814 63.100 -0.076 0.000 0.766 348 P CB 0.471 32.129 31.700 -0.069 0.000 0.845 349 L N 3.412 124.562 121.223 -0.121 0.000 2.466 349 L HA 0.308 4.656 4.340 0.013 0.000 0.257 349 L C 0.624 177.400 176.870 -0.156 0.000 1.189 349 L CA -0.562 54.190 54.840 -0.147 0.000 0.813 349 L CB 0.292 42.220 42.059 -0.219 0.000 1.118 349 L HN 0.256 nan 8.230 nan 0.000 0.471 350 L N 3.098 124.241 121.223 -0.132 0.000 2.427 350 L HA 0.420 4.768 4.340 0.013 0.000 0.264 350 L C -0.655 176.147 176.870 -0.113 0.000 0.989 350 L CA -0.219 54.525 54.840 -0.160 0.000 0.865 350 L CB 0.954 42.947 42.059 -0.110 0.000 1.209 350 L HN 0.232 nan 8.230 nan 0.000 0.430 351 I N 5.029 125.460 120.570 -0.232 0.000 2.421 351 I HA 0.203 4.381 4.170 0.013 0.000 0.291 351 I C 0.547 176.609 176.117 -0.092 0.000 1.089 351 I CA 0.215 61.390 61.300 -0.208 0.000 1.354 351 I CB 0.312 38.057 38.000 -0.425 0.000 1.413 351 I HN 0.563 nan 8.210 nan 0.000 0.513 352 R N 4.868 125.412 120.500 0.072 0.000 3.070 352 R HA 0.442 4.790 4.340 0.013 0.000 0.252 352 R C 0.539 176.968 176.300 0.214 0.000 1.370 352 R CA -0.283 55.910 56.100 0.156 0.000 1.482 352 R CB 0.836 31.040 30.300 -0.160 0.000 1.220 352 R HN 0.752 nan 8.270 nan 0.000 0.622 353 G N 0.172 109.072 108.800 0.167 0.000 2.552 353 G HA2 0.593 4.560 3.960 0.013 0.000 0.324 353 G HA3 0.593 4.560 3.960 0.013 0.000 0.324 353 G C -1.261 173.978 174.900 0.565 0.000 1.217 353 G CA -0.467 44.743 45.100 0.185 0.000 0.989 353 G HN 0.231 nan 8.290 nan 0.000 0.490 354 V N -0.145 120.056 119.914 0.478 0.000 3.048 354 V HA 0.446 4.574 4.120 0.013 0.000 0.303 354 V C -1.139 175.067 176.094 0.187 0.000 1.214 354 V CA -1.197 61.242 62.300 0.232 0.000 0.984 354 V CB 2.175 33.813 31.823 -0.308 0.000 1.054 354 V HN 0.775 nan 8.190 nan 0.000 0.430 355 N N 4.324 123.061 118.700 0.061 0.000 2.514 355 N HA 0.417 5.164 4.740 0.013 0.000 0.277 355 N C -0.712 174.585 175.510 -0.355 0.000 1.126 355 N CA -0.272 52.687 53.050 -0.151 0.000 0.978 355 N CB 1.402 39.805 38.487 -0.140 0.000 1.106 355 N HN 0.617 nan 8.380 nan 0.000 0.461 356 R N 2.126 122.385 120.500 -0.401 0.000 2.502 356 R HA 0.229 4.577 4.340 0.013 0.000 0.300 356 R C -0.910 175.122 176.300 -0.446 0.000 0.984 356 R CA -0.562 55.313 56.100 -0.374 0.000 0.882 356 R CB 0.921 30.978 30.300 -0.404 0.000 1.180 356 R HN 0.585 nan 8.270 nan 0.000 0.444 357 H N 2.082 120.998 119.070 -0.256 0.000 2.508 357 H HA 0.153 4.717 4.556 0.013 0.000 0.358 357 H C -0.499 174.818 175.328 -0.019 0.000 1.212 357 H CA -0.032 55.959 56.048 -0.095 0.000 1.356 357 H CB 1.495 31.267 29.762 0.017 0.000 1.525 357 H HN 0.571 nan 8.280 nan 0.000 0.578 358 E N 1.701 122.092 120.200 0.318 0.000 1.963 358 E HA 0.102 4.460 4.350 0.013 0.000 0.274 358 E C -0.766 175.976 176.600 0.236 0.000 1.061 358 E CA -0.097 56.401 56.400 0.164 0.000 0.847 358 E CB 0.277 30.091 29.700 0.191 0.000 1.083 358 E HN 0.355 nan 8.360 nan 0.000 0.402 359 H N 1.649 120.780 119.070 0.102 0.000 2.679 359 H HA 0.307 4.871 4.556 0.013 0.000 0.360 359 H C -1.565 173.822 175.328 0.098 0.000 1.105 359 H CA -0.671 55.433 56.048 0.093 0.000 1.196 359 H CB 1.093 30.895 29.762 0.066 0.000 1.636 359 H HN 0.373 nan 8.280 nan 0.000 0.531 360 H N 5.767 124.439 119.070 -0.663 0.000 2.759 360 H HA 0.216 4.780 4.556 0.013 0.000 0.354 360 H C -2.365 172.591 175.328 -0.618 0.000 1.074 360 H CA -2.400 53.394 56.048 -0.424 0.000 1.226 360 H CB 2.744 32.409 29.762 -0.162 0.000 1.648 360 H HN 0.537 nan 8.280 nan 0.000 0.529 361 P HA -0.044 nan 4.420 nan 0.000 0.221 361 P C 1.189 178.409 177.300 -0.133 0.000 1.150 361 P CA 0.739 63.721 63.100 -0.197 0.000 0.800 361 P CB 0.877 32.492 31.700 -0.141 0.000 0.787 362 L N -1.630 119.607 121.223 0.023 0.000 2.286 362 L HA 0.112 4.460 4.340 0.013 0.000 0.203 362 L C 2.234 178.892 176.870 -0.354 0.000 1.068 362 L CA 0.717 55.422 54.840 -0.225 0.000 0.811 362 L CB -0.765 41.017 42.059 -0.462 0.000 0.989 362 L HN -0.014 nan 8.230 nan 0.000 0.467 363 H N -0.037 118.953 119.070 -0.132 0.000 2.551 363 H HA 0.323 4.886 4.556 0.013 0.000 0.271 363 H C 1.341 176.544 175.328 -0.208 0.000 0.984 363 H CA 0.465 56.361 56.048 -0.253 0.000 1.164 363 H CB 0.327 29.810 29.762 -0.466 0.000 1.437 363 H HN 0.376 nan 8.280 nan 0.000 0.550 364 G N 1.495 110.205 108.800 -0.149 0.000 2.559 364 G HA2 -0.354 3.614 3.960 0.013 0.000 0.282 364 G HA3 -0.354 3.614 3.960 0.013 0.000 0.282 364 G C 0.729 175.544 174.900 -0.142 0.000 1.177 364 G CA 0.339 45.306 45.100 -0.222 0.000 0.960 364 G HN 0.437 nan 8.290 nan 0.000 0.540 365 Q N -0.080 119.665 119.800 -0.092 0.000 2.198 365 Q HA 0.473 4.820 4.340 0.013 0.000 0.209 365 Q C 0.317 176.417 176.000 0.167 0.000 0.848 365 Q CA -0.148 55.654 55.803 -0.001 0.000 0.974 365 Q CB 1.342 29.969 28.738 -0.184 0.000 1.115 365 Q HN 0.364 nan 8.270 nan 0.000 0.494 366 V N 2.152 122.137 119.914 0.118 0.000 2.488 366 V HA 0.134 4.261 4.120 0.013 0.000 0.277 366 V C 0.227 176.366 176.094 0.076 0.000 1.046 366 V CA 0.327 62.696 62.300 0.116 0.000 0.986 366 V CB 0.839 32.663 31.823 0.002 0.000 0.989 366 V HN 0.324 nan 8.190 nan 0.000 0.475 367 M N 4.658 124.308 119.600 0.083 0.000 2.537 367 M HA 0.508 4.996 4.480 0.013 0.000 0.324 367 M C -0.542 175.722 176.300 -0.060 0.000 1.187 367 M CA -0.621 54.688 55.300 0.015 0.000 0.993 367 M CB 1.725 34.298 32.600 -0.045 0.000 1.666 367 M HN 0.927 nan 8.290 nan 0.000 0.461 368 D N -1.421 118.950 120.400 -0.049 0.000 2.645 368 D HA 0.230 4.878 4.640 0.013 0.000 0.228 368 D C 0.384 176.667 176.300 -0.029 0.000 1.148 368 D CA -0.668 53.304 54.000 -0.046 0.000 0.860 368 D CB 1.403 42.202 40.800 -0.002 0.000 1.548 368 D HN 0.684 nan 8.370 nan 0.000 0.460 369 E N 0.379 120.571 120.200 -0.014 0.000 2.070 369 E HA -0.368 3.990 4.350 0.013 0.000 0.197 369 E C 1.506 178.146 176.600 0.066 0.000 1.004 369 E CA 1.550 57.969 56.400 0.031 0.000 0.805 369 E CB 0.128 29.863 29.700 0.058 0.000 0.744 369 E HN 0.644 nan 8.360 nan 0.000 0.451 370 Q N -0.570 119.273 119.800 0.071 0.000 2.061 370 Q HA -0.146 4.202 4.340 0.013 0.000 0.204 370 Q C 2.180 178.238 176.000 0.096 0.000 0.984 370 Q CA 2.183 58.037 55.803 0.086 0.000 0.846 370 Q CB 0.003 28.795 28.738 0.090 0.000 0.902 370 Q HN 0.308 nan 8.270 nan 0.000 0.421 371 T N 0.663 115.285 114.554 0.113 0.000 2.708 371 T HA -0.152 4.206 4.350 0.013 0.000 0.266 371 T C 1.798 176.569 174.700 0.118 0.000 1.037 371 T CA 1.364 63.540 62.100 0.127 0.000 1.146 371 T CB -0.137 68.836 68.868 0.176 0.000 0.865 371 T HN 0.272 nan 8.240 nan 0.000 0.435 372 M N 0.549 120.221 119.600 0.120 0.000 2.080 372 M HA -0.114 4.374 4.480 0.013 0.000 0.260 372 M C 2.482 178.881 176.300 0.165 0.000 1.068 372 M CA 1.387 56.825 55.300 0.231 0.000 1.109 372 M CB -0.747 32.023 32.600 0.284 0.000 1.342 372 M HN 0.098 nan 8.290 nan 0.000 0.405 373 V N 0.417 120.371 119.914 0.066 0.000 2.287 373 V HA -0.324 3.804 4.120 0.013 0.000 0.248 373 V C 2.393 178.458 176.094 -0.048 0.000 1.053 373 V CA 2.301 64.572 62.300 -0.048 0.000 1.027 373 V CB -0.961 30.872 31.823 0.017 0.000 0.646 373 V HN 0.583 nan 8.190 nan 0.000 0.447 374 Q N -0.444 119.381 119.800 0.043 0.000 2.084 374 Q HA -0.267 4.081 4.340 0.013 0.000 0.202 374 Q C 1.934 177.999 176.000 0.108 0.000 0.978 374 Q CA 2.099 57.946 55.803 0.074 0.000 0.844 374 Q CB -0.145 28.652 28.738 0.099 0.000 0.898 374 Q HN 0.630 nan 8.270 nan 0.000 0.426 375 D N 0.407 120.885 120.400 0.130 0.000 2.097 375 D HA -0.109 4.539 4.640 0.013 0.000 0.197 375 D C 1.951 178.209 176.300 -0.069 0.000 0.984 375 D CA 1.019 55.101 54.000 0.137 0.000 0.826 375 D CB -0.160 40.696 40.800 0.093 0.000 0.973 375 D HN 0.349 nan 8.370 nan 0.000 0.460 376 I N 0.740 121.252 120.570 -0.097 0.000 2.226 376 I HA -0.237 3.941 4.170 0.013 0.000 0.245 376 I C 2.412 178.394 176.117 -0.226 0.000 1.100 376 I CA 0.599 61.740 61.300 -0.265 0.000 1.374 376 I CB -0.095 37.620 38.000 -0.475 0.000 1.057 376 I HN 0.007 nan 8.210 nan 0.000 0.413 377 L N 0.099 121.227 121.223 -0.158 0.000 1.989 377 L HA -0.252 4.096 4.340 0.013 0.000 0.211 377 L C 2.580 179.515 176.870 0.109 0.000 1.071 377 L CA 1.570 56.410 54.840 -0.001 0.000 0.749 377 L CB -0.655 41.431 42.059 0.045 0.000 0.890 377 L HN 0.282 nan 8.230 nan 0.000 0.431 378 L N -1.003 120.309 121.223 0.149 0.000 2.079 378 L HA -0.261 4.086 4.340 0.013 0.000 0.210 378 L C 2.702 179.739 176.870 0.278 0.000 1.081 378 L CA 1.335 56.345 54.840 0.284 0.000 0.752 378 L CB -0.328 42.007 42.059 0.460 0.000 0.896 378 L HN 0.317 nan 8.230 nan 0.000 0.433 379 M N -0.596 118.990 119.600 -0.022 0.000 2.086 379 M HA -0.241 4.247 4.480 0.013 0.000 0.261 379 M C 2.293 178.672 176.300 0.132 0.000 1.067 379 M CA 1.886 57.098 55.300 -0.146 0.000 1.116 379 M CB -0.297 31.984 32.600 -0.531 0.000 1.348 379 M HN 0.080 nan 8.290 nan 0.000 0.407 380 K N -0.095 120.289 120.400 -0.027 0.000 2.057 380 K HA -0.167 4.160 4.320 0.013 0.000 0.206 380 K C 1.947 178.534 176.600 -0.022 0.000 1.050 380 K CA 1.246 57.422 56.287 -0.184 0.000 0.935 380 K CB -0.217 31.962 32.500 -0.534 0.000 0.715 380 K HN 0.431 nan 8.250 nan 0.000 0.439 381 Q N 0.416 120.362 119.800 0.244 0.000 2.364 381 Q HA -0.052 4.295 4.340 0.013 0.000 0.209 381 Q C 0.779 177.075 176.000 0.495 0.000 0.977 381 Q CA 0.752 56.821 55.803 0.443 0.000 0.885 381 Q CB 0.119 29.097 28.738 0.400 0.000 0.941 381 Q HN 0.271 nan 8.270 nan 0.000 0.464 382 N N 0.457 119.397 118.700 0.400 0.000 2.273 382 N HA 0.051 4.798 4.740 0.013 0.000 0.231 382 N C -0.598 175.017 175.510 0.175 0.000 1.134 382 N CA 0.029 53.308 53.050 0.381 0.000 0.856 382 N CB 0.711 39.506 38.487 0.514 0.000 1.068 382 N HN 0.151 nan 8.380 nan 0.000 0.510 383 N N 0.179 118.987 118.700 0.180 0.000 2.782 383 N HA -0.187 4.561 4.740 0.013 0.000 0.251 383 N C -0.809 174.634 175.510 -0.111 0.000 1.101 383 N CA 0.783 53.898 53.050 0.107 0.000 0.764 383 N CB -1.723 36.754 38.487 -0.017 0.000 1.122 383 N HN 0.241 nan 8.380 nan 0.000 0.561 384 F N 1.086 121.060 119.950 0.040 0.000 2.375 384 F HA 0.291 4.825 4.527 0.012 0.000 0.333 384 F C 1.790 177.590 175.800 -0.000 0.000 1.104 384 F CA -0.448 57.558 58.000 0.010 0.000 1.149 384 F CB 0.745 39.725 39.000 -0.033 0.000 1.190 384 F HN 0.062 nan 8.300 nan 0.000 0.533 385 N N 0.360 119.184 118.700 0.206 0.000 2.143 385 N HA 0.443 5.191 4.740 0.013 0.000 0.222 385 N C -0.864 174.715 175.510 0.116 0.000 1.264 385 N CA -0.011 53.095 53.050 0.092 0.000 0.897 385 N CB 0.724 39.314 38.487 0.171 0.000 1.092 385 N HN 0.479 nan 8.380 nan 0.000 0.516 386 A N -0.492 122.467 122.820 0.232 0.000 2.594 386 A HA 0.765 5.092 4.320 0.013 0.000 0.295 386 A C -1.787 176.040 177.584 0.404 0.000 1.071 386 A CA -0.726 51.515 52.037 0.339 0.000 0.685 386 A CB 1.856 21.086 19.000 0.383 0.000 1.285 386 A HN 0.239 nan 8.150 nan 0.000 0.405 387 V N 1.219 121.412 119.914 0.465 0.000 2.808 387 V HA 0.777 4.905 4.120 0.013 0.000 0.308 387 V C -0.626 175.570 176.094 0.170 0.000 1.099 387 V CA -0.668 61.835 62.300 0.338 0.000 0.920 387 V CB 1.848 33.803 31.823 0.220 0.000 1.014 387 V HN 1.123 nan 8.190 nan 0.000 0.425 388 R N 4.975 125.391 120.500 -0.139 0.000 2.393 388 R HA 0.492 4.839 4.340 0.013 0.000 0.310 388 R C -0.718 175.421 176.300 -0.268 0.000 0.968 388 R CA -0.458 55.388 56.100 -0.424 0.000 0.867 388 R CB 1.165 31.020 30.300 -0.740 0.000 1.124 388 R HN 0.798 nan 8.270 nan 0.000 0.450 389 C N 4.489 123.665 119.300 -0.206 0.000 2.896 389 C HA 0.127 4.595 4.460 0.013 0.000 0.499 389 C C 0.441 175.145 174.990 -0.477 0.000 1.022 389 C CA -0.442 58.408 59.018 -0.281 0.000 1.127 389 C CB -2.044 25.650 27.740 -0.078 0.000 1.452 389 C HN 0.731 nan 8.230 nan 0.000 0.580 390 S N 1.477 116.771 115.700 -0.676 0.000 2.488 390 S HA 0.178 4.656 4.470 0.013 0.000 0.278 390 S C -0.108 173.612 174.600 -1.467 0.000 1.259 390 S CA 0.101 57.639 58.200 -1.105 0.000 1.061 390 S CB 0.187 62.687 63.200 -1.167 0.000 0.910 390 S HN 0.729 nan 8.310 nan 0.000 0.491 391 H N 3.690 122.223 119.070 -0.895 0.000 2.439 391 H HA 0.330 4.894 4.556 0.013 0.000 0.230 391 H C -1.172 174.079 175.328 -0.129 0.000 1.420 391 H CA -0.335 55.542 56.048 -0.286 0.000 1.305 391 H CB -0.170 29.604 29.762 0.020 0.000 1.667 391 H HN 0.891 nan 8.280 nan 0.000 0.515 392 Y N -2.830 117.577 120.300 0.179 0.000 2.765 392 Y HA 0.378 4.936 4.550 0.013 0.000 0.350 392 Y C -3.324 172.687 175.900 0.184 0.000 1.196 392 Y CA -3.032 55.182 58.100 0.190 0.000 1.119 392 Y CB 0.026 38.604 38.460 0.198 0.000 1.368 392 Y HN -0.079 nan 8.280 nan 0.000 0.463 393 P HA 0.153 nan 4.420 nan 0.000 0.268 393 P C -0.620 176.974 177.300 0.490 0.000 1.205 393 P CA 0.148 63.500 63.100 0.420 0.000 0.771 393 P CB 0.592 32.469 31.700 0.295 0.000 0.858 394 N N 0.429 119.433 118.700 0.507 0.000 2.447 394 N HA 0.093 4.841 4.740 0.013 0.000 0.271 394 N C 0.124 175.880 175.510 0.410 0.000 1.226 394 N CA -0.594 52.668 53.050 0.353 0.000 0.980 394 N CB 0.342 38.833 38.487 0.007 0.000 1.206 394 N HN 0.601 nan 8.380 nan 0.000 0.558 395 H N 2.225 121.398 119.070 0.173 0.000 3.038 395 H HA -0.005 4.558 4.556 0.013 0.000 0.338 395 H C -1.643 173.849 175.328 0.273 0.000 1.041 395 H CA -0.725 55.407 56.048 0.140 0.000 1.394 395 H CB 0.992 30.802 29.762 0.079 0.000 1.357 395 H HN 0.437 nan 8.280 nan 0.000 0.600 396 P HA -0.195 nan 4.420 nan 0.000 0.218 396 P C 1.823 179.438 177.300 0.526 0.000 1.148 396 P CA 0.686 64.031 63.100 0.408 0.000 0.822 396 P CB 0.239 32.032 31.700 0.155 0.000 0.784 397 L N -0.888 120.723 121.223 0.647 0.000 2.265 397 L HA -0.053 4.295 4.340 0.013 0.000 0.215 397 L C 2.418 179.468 176.870 0.300 0.000 1.117 397 L CA 1.326 56.409 54.840 0.405 0.000 0.782 397 L CB -1.410 40.828 42.059 0.298 0.000 0.914 397 L HN 0.021 nan 8.230 nan 0.000 0.441 398 W N -0.457 120.871 121.300 0.047 0.000 2.318 398 W HA -0.344 4.324 4.660 0.012 0.000 0.313 398 W C 2.058 178.426 176.519 -0.253 0.000 1.221 398 W CA 2.002 59.234 57.345 -0.188 0.000 1.266 398 W CB -0.400 28.845 29.460 -0.358 0.000 1.150 398 W HN 0.272 nan 8.180 nan 0.000 0.496 399 Y N 0.889 121.128 120.300 -0.102 0.000 2.181 399 Y HA -0.225 4.332 4.550 0.013 0.000 0.288 399 Y C 2.864 178.552 175.900 -0.353 0.000 1.146 399 Y CA 2.185 60.006 58.100 -0.465 0.000 1.164 399 Y CB -1.314 36.526 38.460 -1.032 0.000 0.982 399 Y HN -0.208 nan 8.280 nan 0.000 0.515 400 T N 0.824 115.405 114.554 0.046 0.000 2.684 400 T HA -0.195 4.163 4.350 0.013 0.000 0.267 400 T C 2.016 176.764 174.700 0.079 0.000 1.036 400 T CA 1.636 63.838 62.100 0.171 0.000 1.148 400 T CB -0.638 68.370 68.868 0.233 0.000 0.863 400 T HN 0.233 nan 8.240 nan 0.000 0.436 401 L N 0.315 121.542 121.223 0.007 0.000 2.046 401 L HA -0.113 4.235 4.340 0.013 0.000 0.208 401 L C 2.910 179.747 176.870 -0.055 0.000 1.077 401 L CA 0.986 55.843 54.840 0.030 0.000 0.747 401 L CB -0.716 41.311 42.059 -0.054 0.000 0.896 401 L HN 0.381 nan 8.230 nan 0.000 0.432 402 C N -0.342 118.759 119.300 -0.332 0.000 2.435 402 C HA -0.125 4.342 4.460 0.013 0.000 0.279 402 C C 2.404 177.427 174.990 0.055 0.000 1.321 402 C CA 0.326 59.180 59.018 -0.274 0.000 1.752 402 C CB -0.786 26.678 27.740 -0.460 0.000 1.959 402 C HN 0.535 nan 8.230 nan 0.000 0.500 403 D N 0.559 121.004 120.400 0.075 0.000 2.117 403 D HA -0.099 4.549 4.640 0.013 0.000 0.197 403 D C 2.399 178.911 176.300 0.354 0.000 0.987 403 D CA 1.210 55.336 54.000 0.210 0.000 0.829 403 D CB -0.314 40.572 40.800 0.143 0.000 0.961 403 D HN 0.523 nan 8.370 nan 0.000 0.460 404 R N -0.991 119.615 120.500 0.175 0.000 2.080 404 R HA 0.006 4.353 4.340 0.013 0.000 0.222 404 R C 2.159 178.434 176.300 -0.043 0.000 1.107 404 R CA 0.620 56.756 56.100 0.060 0.000 0.980 404 R CB -0.206 30.063 30.300 -0.052 0.000 0.879 404 R HN 0.277 nan 8.270 nan 0.000 0.439 405 Y N -0.038 120.272 120.300 0.017 0.000 2.420 405 Y HA 0.163 4.720 4.550 0.012 0.000 0.292 405 Y C 0.984 176.816 175.900 -0.113 0.000 1.119 405 Y CA 0.781 58.865 58.100 -0.027 0.000 1.229 405 Y CB 0.585 39.000 38.460 -0.075 0.000 1.026 405 Y HN 0.244 nan 8.280 nan 0.000 0.554 406 G N 1.219 110.052 108.800 0.055 0.000 2.929 406 G HA2 -0.157 3.810 3.960 0.013 0.000 0.335 406 G HA3 -0.157 3.810 3.960 0.013 0.000 0.335 406 G C -1.187 173.563 174.900 -0.250 0.000 1.054 406 G CA -0.535 44.477 45.100 -0.148 0.000 1.067 406 G HN 0.174 nan 8.290 nan 0.000 0.472 407 L N 1.158 122.298 121.223 -0.138 0.000 2.455 407 L HA 0.504 4.851 4.340 0.013 0.000 0.264 407 L C 0.010 176.866 176.870 -0.023 0.000 0.968 407 L CA -1.276 53.448 54.840 -0.192 0.000 0.827 407 L CB 2.028 43.999 42.059 -0.147 0.000 1.317 407 L HN 0.491 nan 8.230 nan 0.000 0.407 408 Y N 1.725 122.157 120.300 0.220 0.000 2.359 408 Y HA 0.403 4.962 4.550 0.014 0.000 0.330 408 Y C 0.166 176.195 175.900 0.214 0.000 1.143 408 Y CA -0.655 57.609 58.100 0.274 0.000 1.318 408 Y CB 1.421 40.018 38.460 0.227 0.000 1.234 408 Y HN 0.161 nan 8.280 nan 0.000 0.522 409 V N 4.101 124.201 119.914 0.310 0.000 2.680 409 V HA 0.313 4.441 4.120 0.013 0.000 0.309 409 V C -0.663 175.511 176.094 0.132 0.000 1.052 409 V CA -1.021 61.403 62.300 0.206 0.000 0.908 409 V CB 1.989 33.897 31.823 0.142 0.000 1.001 409 V HN 0.435 nan 8.190 nan 0.000 0.431 410 V N 3.084 123.040 119.914 0.069 0.000 2.333 410 V HA 0.326 4.453 4.120 0.013 0.000 0.274 410 V C -0.281 175.843 176.094 0.049 0.000 1.028 410 V CA -0.365 61.930 62.300 -0.008 0.000 0.851 410 V CB 1.380 33.096 31.823 -0.177 0.000 1.000 410 V HN 0.865 nan 8.190 nan 0.000 0.456 411 D N 4.211 124.681 120.400 0.116 0.000 2.249 411 D HA 0.309 4.957 4.640 0.013 0.000 0.246 411 D C -0.228 176.262 176.300 0.317 0.000 1.114 411 D CA -0.049 54.118 54.000 0.278 0.000 0.854 411 D CB 1.283 42.288 40.800 0.342 0.000 1.132 411 D HN 0.697 nan 8.370 nan 0.000 0.461 412 E N 1.890 122.245 120.200 0.258 0.000 2.210 412 E HA 0.609 4.966 4.350 0.013 0.000 0.266 412 E C -1.016 175.726 176.600 0.236 0.000 0.883 412 E CA -1.061 55.476 56.400 0.229 0.000 0.761 412 E CB 1.363 31.149 29.700 0.144 0.000 1.156 412 E HN 0.463 nan 8.360 nan 0.000 0.412 413 A N 3.822 126.774 122.820 0.220 0.000 2.483 413 A HA 0.025 4.353 4.320 0.013 0.000 0.238 413 A C 0.348 178.061 177.584 0.215 0.000 1.070 413 A CA -0.138 52.008 52.037 0.182 0.000 0.770 413 A CB 0.099 19.173 19.000 0.123 0.000 1.008 413 A HN 0.695 nan 8.150 nan 0.000 0.497 414 N N 1.356 120.189 118.700 0.222 0.000 3.050 414 N HA 0.259 5.007 4.740 0.013 0.000 0.289 414 N C -0.994 174.650 175.510 0.223 0.000 1.209 414 N CA 0.161 53.376 53.050 0.275 0.000 1.154 414 N CB -0.823 37.831 38.487 0.278 0.000 1.444 414 N HN 0.473 nan 8.380 nan 0.000 0.529 415 I N 0.760 121.458 120.570 0.213 0.000 2.503 415 I HA 0.291 4.468 4.170 0.013 0.000 0.282 415 I C -0.563 175.663 176.117 0.181 0.000 1.059 415 I CA -0.636 60.772 61.300 0.180 0.000 1.081 415 I CB 1.658 39.737 38.000 0.132 0.000 1.210 415 I HN 0.221 nan 8.210 nan 0.000 0.450 416 E N 4.364 124.666 120.200 0.170 0.000 2.287 416 E HA 0.385 4.742 4.350 0.013 0.000 0.274 416 E C -0.574 176.097 176.600 0.119 0.000 0.896 416 E CA -0.466 56.005 56.400 0.119 0.000 0.788 416 E CB 1.696 31.448 29.700 0.088 0.000 1.244 416 E HN 0.615 nan 8.360 nan 0.000 0.408 417 T N 0.583 115.196 114.554 0.098 0.000 3.415 417 T HA 0.157 4.514 4.350 0.013 0.000 0.282 417 T C 0.903 175.645 174.700 0.071 0.000 1.007 417 T CA -0.328 61.856 62.100 0.140 0.000 0.958 417 T CB -0.295 68.640 68.868 0.112 0.000 1.171 417 T HN 0.663 nan 8.240 nan 0.000 0.500 418 H N 1.346 120.333 119.070 -0.139 0.000 2.357 418 H HA -0.103 4.461 4.556 0.013 0.000 0.296 418 H C 2.358 177.564 175.328 -0.203 0.000 1.108 418 H CA 1.469 57.411 56.048 -0.178 0.000 1.273 418 H CB -0.254 29.369 29.762 -0.232 0.000 1.367 418 H HN 0.582 nan 8.280 nan 0.000 0.498 419 G N 0.286 108.935 108.800 -0.251 0.000 2.625 419 G HA2 -0.106 3.862 3.960 0.013 0.000 0.214 419 G HA3 -0.106 3.862 3.960 0.013 0.000 0.214 419 G C 0.549 175.554 174.900 0.175 0.000 1.132 419 G CA 0.022 44.993 45.100 -0.214 0.000 0.782 419 G HN 0.168 nan 8.290 nan 0.000 0.538 420 M N 0.162 119.909 119.600 0.244 0.000 2.198 420 M HA 0.348 4.836 4.480 0.013 0.000 0.315 420 M C -0.389 175.949 176.300 0.063 0.000 1.134 420 M CA -0.299 55.102 55.300 0.168 0.000 1.171 420 M CB 1.433 34.088 32.600 0.091 0.000 1.413 420 M HN -0.205 nan 8.290 nan 0.000 0.467 421 V N 3.646 123.576 119.914 0.027 0.000 2.482 421 V HA 0.356 4.484 4.120 0.013 0.000 0.295 421 V C -1.954 174.134 176.094 -0.010 0.000 1.026 421 V CA -1.287 61.015 62.300 0.002 0.000 0.856 421 V CB 1.770 33.590 31.823 -0.005 0.000 1.001 421 V HN 0.735 nan 8.190 nan 0.000 0.424 422 P HA 0.237 nan 4.420 nan 0.000 0.277 422 P C 0.962 178.264 177.300 0.003 0.000 1.276 422 P CA -0.475 62.620 63.100 -0.007 0.000 0.788 422 P CB 1.066 32.763 31.700 -0.006 0.000 1.114 423 M N 0.466 120.072 119.600 0.010 0.000 2.279 423 M HA -0.147 4.341 4.480 0.013 0.000 0.264 423 M C 1.168 177.488 176.300 0.034 0.000 1.062 423 M CA 1.656 56.970 55.300 0.023 0.000 1.099 423 M CB -0.458 32.142 32.600 -0.001 0.000 1.394 423 M HN 0.355 nan 8.290 nan 0.000 0.426 424 N N -0.026 118.696 118.700 0.036 0.000 2.322 424 N HA -0.076 4.672 4.740 0.013 0.000 0.216 424 N C 1.099 176.597 175.510 -0.021 0.000 1.144 424 N CA 0.144 53.221 53.050 0.044 0.000 0.830 424 N CB -0.759 37.772 38.487 0.072 0.000 1.034 424 N HN 0.371 nan 8.380 nan 0.000 0.484 425 R N 0.392 120.865 120.500 -0.045 0.000 2.105 425 R HA -0.012 4.335 4.340 0.013 0.000 0.239 425 R C 1.359 177.567 176.300 -0.153 0.000 1.135 425 R CA 1.308 57.358 56.100 -0.084 0.000 0.967 425 R CB -0.033 30.215 30.300 -0.086 0.000 0.861 425 R HN 0.300 nan 8.270 nan 0.000 0.442 426 L N -0.631 120.445 121.223 -0.245 0.000 2.168 426 L HA 0.005 4.353 4.340 0.013 0.000 0.203 426 L C 2.458 179.210 176.870 -0.198 0.000 1.078 426 L CA 1.263 55.846 54.840 -0.428 0.000 0.780 426 L CB -0.494 41.062 42.059 -0.837 0.000 0.939 426 L HN 0.330 nan 8.230 nan 0.000 0.451 427 T N -4.327 110.138 114.554 -0.147 0.000 3.072 427 T HA -0.152 4.205 4.350 0.013 0.000 0.266 427 T C 1.243 175.863 174.700 -0.133 0.000 1.127 427 T CA 1.151 63.146 62.100 -0.174 0.000 1.107 427 T CB -0.217 68.498 68.868 -0.254 0.000 0.910 427 T HN 0.116 nan 8.240 nan 0.000 0.513 428 D N 1.011 121.366 120.400 -0.075 0.000 2.349 428 D HA 0.105 4.753 4.640 0.013 0.000 0.214 428 D C -0.188 176.095 176.300 -0.027 0.000 1.063 428 D CA -0.196 53.769 54.000 -0.058 0.000 0.847 428 D CB -0.020 40.751 40.800 -0.048 0.000 0.933 428 D HN 0.335 nan 8.370 nan 0.000 0.513 429 D N -0.258 120.144 120.400 0.003 0.000 2.233 429 D HA 0.132 4.780 4.640 0.013 0.000 0.240 429 D C -1.713 174.637 176.300 0.083 0.000 1.074 429 D CA -2.184 51.851 54.000 0.059 0.000 0.838 429 D CB 2.151 43.031 40.800 0.133 0.000 1.124 429 D HN -0.051 nan 8.370 nan 0.000 0.475 430 P HA -0.068 nan 4.420 nan 0.000 0.226 430 P C 0.926 178.228 177.300 0.004 0.000 1.153 430 P CA 0.563 63.672 63.100 0.015 0.000 0.777 430 P CB 0.361 32.059 31.700 -0.004 0.000 0.794 431 R N -1.607 118.902 120.500 0.016 0.000 2.235 431 R HA -0.046 4.302 4.340 0.013 0.000 0.213 431 R C 1.393 177.560 176.300 -0.220 0.000 1.059 431 R CA 0.901 56.939 56.100 -0.104 0.000 0.997 431 R CB -0.649 29.576 30.300 -0.126 0.000 0.884 431 R HN 0.352 nan 8.270 nan 0.000 0.462 432 W N 0.217 121.465 121.300 -0.086 0.000 3.278 432 W HA 0.142 4.809 4.660 0.012 0.000 0.308 432 W C 1.602 178.065 176.519 -0.092 0.000 1.253 432 W CA -0.527 56.767 57.345 -0.085 0.000 1.759 432 W CB -0.019 29.390 29.460 -0.086 0.000 1.093 432 W HN -0.018 nan 8.180 nan 0.000 0.648 433 L N 2.113 123.360 121.223 0.041 0.000 2.046 433 L HA -0.035 4.313 4.340 0.013 0.000 0.208 433 L C -0.685 176.150 176.870 -0.058 0.000 1.077 433 L CA 2.180 57.009 54.840 -0.019 0.000 0.747 433 L CB -1.589 40.448 42.059 -0.037 0.000 0.896 433 L HN -0.244 nan 8.230 nan 0.000 0.432 434 P HA -0.137 nan 4.420 nan 0.000 0.215 434 P C 1.573 178.817 177.300 -0.092 0.000 1.153 434 P CA 2.102 65.139 63.100 -0.104 0.000 0.853 434 P CB -0.202 31.424 31.700 -0.122 0.000 0.788 435 A N -0.993 121.784 122.820 -0.073 0.000 1.898 435 A HA -0.165 4.163 4.320 0.013 0.000 0.216 435 A C 2.239 179.834 177.584 0.019 0.000 1.181 435 A CA 1.819 53.846 52.037 -0.016 0.000 0.620 435 A CB -1.452 17.567 19.000 0.031 0.000 0.819 435 A HN 0.088 nan 8.150 nan 0.000 0.442 436 M N 0.470 120.093 119.600 0.039 0.000 2.159 436 M HA -0.161 4.327 4.480 0.013 0.000 0.263 436 M C 2.531 178.779 176.300 -0.087 0.000 1.063 436 M CA 1.762 57.061 55.300 -0.002 0.000 1.110 436 M CB -0.411 32.167 32.600 -0.037 0.000 1.374 436 M HN 0.671 nan 8.290 nan 0.000 0.411 437 S N 0.347 115.967 115.700 -0.133 0.000 2.370 437 S HA -0.205 4.273 4.470 0.013 0.000 0.226 437 S C 1.641 176.074 174.600 -0.280 0.000 1.033 437 S CA 1.573 59.626 58.200 -0.244 0.000 1.011 437 S CB -0.658 62.370 63.200 -0.287 0.000 0.852 437 S HN 0.531 nan 8.310 nan 0.000 0.457 438 E N 1.031 121.118 120.200 -0.188 0.000 2.153 438 E HA -0.090 4.268 4.350 0.013 0.000 0.194 438 E C 2.430 178.945 176.600 -0.143 0.000 0.988 438 E CA 0.907 57.204 56.400 -0.173 0.000 0.811 438 E CB -0.131 29.505 29.700 -0.107 0.000 0.746 438 E HN 0.579 nan 8.360 nan 0.000 0.466 439 R N 0.017 120.463 120.500 -0.090 0.000 2.115 439 R HA -0.077 4.271 4.340 0.013 0.000 0.230 439 R C 2.247 178.508 176.300 -0.065 0.000 1.111 439 R CA 0.745 56.824 56.100 -0.035 0.000 0.976 439 R CB 0.025 30.345 30.300 0.034 0.000 0.870 439 R HN 0.025 nan 8.270 nan 0.000 0.445 440 V N 0.067 119.895 119.914 -0.143 0.000 2.426 440 V HA -0.160 3.968 4.120 0.013 0.000 0.242 440 V C 2.443 178.357 176.094 -0.299 0.000 1.036 440 V CA 2.078 64.273 62.300 -0.175 0.000 1.044 440 V CB -0.126 31.579 31.823 -0.198 0.000 0.688 440 V HN 0.514 nan 8.190 nan 0.000 0.462 441 T N -1.042 113.209 114.554 -0.504 0.000 2.821 441 T HA -0.196 4.162 4.350 0.013 0.000 0.267 441 T C 1.927 176.465 174.700 -0.269 0.000 1.046 441 T CA 1.185 62.897 62.100 -0.646 0.000 1.139 441 T CB -0.352 67.925 68.868 -0.984 0.000 0.871 441 T HN 0.382 nan 8.240 nan 0.000 0.454 442 R N 0.170 120.541 120.500 -0.215 0.000 2.148 442 R HA 0.241 4.588 4.340 0.013 0.000 0.223 442 R C 2.587 178.811 176.300 -0.127 0.000 1.088 442 R CA 1.206 57.217 56.100 -0.148 0.000 0.985 442 R CB -0.432 29.789 30.300 -0.132 0.000 0.880 442 R HN 0.484 nan 8.270 nan 0.000 0.451 443 M N 0.480 120.012 119.600 -0.113 0.000 2.099 443 M HA -0.136 4.352 4.480 0.013 0.000 0.262 443 M C 1.804 178.032 176.300 -0.119 0.000 1.067 443 M CA 1.643 56.907 55.300 -0.061 0.000 1.124 443 M CB 0.109 32.712 32.600 0.004 0.000 1.353 443 M HN -0.027 nan 8.290 nan 0.000 0.410 444 V N 1.032 120.775 119.914 -0.285 0.000 2.343 444 V HA -0.277 3.850 4.120 0.013 0.000 0.247 444 V C 2.259 178.240 176.094 -0.188 0.000 1.051 444 V CA 1.965 63.967 62.300 -0.497 0.000 1.036 444 V CB -0.924 30.541 31.823 -0.598 0.000 0.654 444 V HN 0.590 nan 8.190 nan 0.000 0.451 445 Q N -0.603 119.128 119.800 -0.114 0.000 2.291 445 Q HA -0.211 4.137 4.340 0.013 0.000 0.206 445 Q C 2.410 178.325 176.000 -0.142 0.000 0.976 445 Q CA 1.391 57.134 55.803 -0.100 0.000 0.875 445 Q CB -0.153 28.550 28.738 -0.059 0.000 0.927 445 Q HN 0.557 nan 8.270 nan 0.000 0.450 446 R N 0.198 120.610 120.500 -0.147 0.000 2.140 446 R HA -0.061 4.287 4.340 0.013 0.000 0.213 446 R C 0.385 176.612 176.300 -0.121 0.000 1.059 446 R CA 1.046 57.036 56.100 -0.184 0.000 1.000 446 R CB 0.540 30.730 30.300 -0.184 0.000 0.910 446 R HN 0.092 nan 8.270 nan 0.000 0.455 447 D N -0.050 120.340 120.400 -0.016 0.000 2.433 447 D HA 0.009 4.657 4.640 0.013 0.000 0.211 447 D C 1.256 177.665 176.300 0.182 0.000 1.114 447 D CA 0.047 54.085 54.000 0.063 0.000 0.837 447 D CB 0.330 41.115 40.800 -0.024 0.000 0.984 447 D HN 0.334 nan 8.370 nan 0.000 0.505 448 R N 0.602 121.213 120.500 0.186 0.000 2.249 448 R HA -0.023 4.325 4.340 0.013 0.000 0.230 448 R C 0.670 176.973 176.300 0.005 0.000 1.121 448 R CA 0.994 57.210 56.100 0.194 0.000 0.997 448 R CB -0.246 30.101 30.300 0.079 0.000 0.867 448 R HN -0.082 nan 8.270 nan 0.000 0.465 449 N N 0.134 118.768 118.700 -0.109 0.000 2.280 449 N HA 0.014 4.762 4.740 0.013 0.000 0.192 449 N C -0.587 174.809 175.510 -0.190 0.000 1.109 449 N CA 0.172 53.130 53.050 -0.152 0.000 0.855 449 N CB 0.171 38.538 38.487 -0.201 0.000 0.974 449 N HN 0.274 nan 8.380 nan 0.000 0.482 450 H N 1.445 120.452 119.070 -0.105 0.000 2.800 450 H HA 0.114 4.677 4.556 0.012 0.000 0.291 450 H C -1.195 173.982 175.328 -0.251 0.000 1.076 450 H CA -1.300 54.670 56.048 -0.131 0.000 1.452 450 H CB 1.543 31.262 29.762 -0.072 0.000 1.461 450 H HN 0.047 nan 8.280 nan 0.000 0.488 451 P HA -0.173 nan 4.420 nan 0.000 0.218 451 P C 1.476 178.283 177.300 -0.822 0.000 1.148 451 P CA 1.266 63.987 63.100 -0.631 0.000 0.822 451 P CB 0.261 31.314 31.700 -1.079 0.000 0.784 452 S N -0.727 114.610 115.700 -0.604 0.000 2.400 452 S HA -0.068 4.410 4.470 0.013 0.000 0.232 452 S C 1.148 175.718 174.600 -0.050 0.000 1.025 452 S CA 0.547 58.589 58.200 -0.262 0.000 0.993 452 S CB -1.587 61.598 63.200 -0.025 0.000 0.808 452 S HN -0.042 nan 8.310 nan 0.000 0.478 453 V N 3.533 123.389 119.914 -0.096 0.000 2.470 453 V HA 0.240 4.368 4.120 0.013 0.000 0.276 453 V C 1.093 177.054 176.094 -0.222 0.000 1.040 453 V CA 0.070 62.283 62.300 -0.145 0.000 1.008 453 V CB 0.536 32.184 31.823 -0.292 0.000 0.990 453 V HN 0.632 nan 8.190 nan 0.000 0.477 454 I N 2.623 123.111 120.570 -0.136 0.000 4.323 454 I HA 0.517 4.694 4.170 0.013 0.000 0.328 454 I C 0.347 176.352 176.117 -0.187 0.000 1.310 454 I CA 0.440 61.672 61.300 -0.114 0.000 1.186 454 I CB 0.540 38.560 38.000 0.034 0.000 1.130 454 I HN 0.323 nan 8.210 nan 0.000 0.411 455 I N 0.182 120.619 120.570 -0.222 0.000 2.722 455 I HA 0.368 4.546 4.170 0.013 0.000 0.295 455 I C -1.582 174.424 176.117 -0.186 0.000 1.161 455 I CA -0.369 60.835 61.300 -0.161 0.000 1.032 455 I CB 2.222 40.224 38.000 0.003 0.000 1.244 455 I HN 0.020 nan 8.210 nan 0.000 0.421 456 W N 3.855 125.204 121.300 0.081 0.000 2.496 456 W HA 0.650 5.316 4.660 0.011 0.000 0.327 456 W C 0.354 176.939 176.519 0.109 0.000 1.086 456 W CA -0.618 56.781 57.345 0.090 0.000 1.222 456 W CB 1.728 31.238 29.460 0.083 0.000 1.304 456 W HN 0.310 nan 8.180 nan 0.000 0.547 457 S N 2.401 118.334 115.700 0.390 0.000 2.513 457 S HA 0.418 4.896 4.470 0.013 0.000 0.299 457 S C 0.199 174.972 174.600 0.290 0.000 1.087 457 S CA -0.716 57.662 58.200 0.297 0.000 1.012 457 S CB 0.923 64.251 63.200 0.213 0.000 1.044 457 S HN 0.582 nan 8.310 nan 0.000 0.485 458 L N 3.758 125.152 121.223 0.286 0.000 2.610 458 L HA 0.337 4.685 4.340 0.013 0.000 0.232 458 L C 1.393 178.347 176.870 0.140 0.000 1.149 458 L CA 0.541 55.471 54.840 0.150 0.000 0.872 458 L CB -1.148 40.893 42.059 -0.030 0.000 0.992 458 L HN 1.013 nan 8.230 nan 0.000 0.447 459 G N 0.173 109.135 108.800 0.271 0.000 2.280 459 G HA2 -0.139 3.828 3.960 0.013 0.000 0.277 459 G HA3 -0.139 3.828 3.960 0.013 0.000 0.277 459 G C -1.552 173.549 174.900 0.334 0.000 1.288 459 G CA -0.445 44.815 45.100 0.267 0.000 1.075 459 G HN 0.215 nan 8.290 nan 0.000 0.480 460 N N -0.065 118.772 118.700 0.228 0.000 2.405 460 N HA 0.464 5.212 4.740 0.013 0.000 0.274 460 N C -0.515 174.950 175.510 -0.076 0.000 1.170 460 N CA 0.156 53.196 53.050 -0.018 0.000 0.848 460 N CB 1.552 39.781 38.487 -0.430 0.000 1.629 460 N HN 0.939 nan 8.380 nan 0.000 0.481 461 E N 0.730 120.797 120.200 -0.223 0.000 2.202 461 E HA -0.176 4.181 4.350 0.013 0.000 0.169 461 E C -0.860 175.659 176.600 -0.136 0.000 1.536 461 E CA 0.812 57.004 56.400 -0.346 0.000 0.664 461 E CB -1.246 28.027 29.700 -0.713 0.000 1.064 461 E HN 0.448 nan 8.360 nan 0.000 0.327 462 S N 0.111 115.870 115.700 0.099 0.000 2.941 462 S HA 0.389 4.866 4.470 0.013 0.000 0.251 462 S C 0.618 175.383 174.600 0.274 0.000 1.029 462 S CA -0.160 58.159 58.200 0.199 0.000 1.062 462 S CB 1.384 64.765 63.200 0.302 0.000 0.977 462 S HN 0.855 nan 8.310 nan 0.000 0.552 463 G N 2.034 110.926 108.800 0.153 0.000 2.598 463 G HA2 -0.272 3.696 3.960 0.013 0.000 0.269 463 G HA3 -0.272 3.696 3.960 0.013 0.000 0.269 463 G C -0.480 174.624 174.900 0.341 0.000 1.289 463 G CA -0.015 45.182 45.100 0.161 0.000 0.926 463 G HN 0.663 nan 8.290 nan 0.000 0.567 464 H N 0.383 119.571 119.070 0.197 0.000 2.906 464 H HA 0.569 5.132 4.556 0.012 0.000 0.324 464 H C 0.343 175.831 175.328 0.266 0.000 0.973 464 H CA -0.147 56.057 56.048 0.260 0.000 1.321 464 H CB 0.588 30.442 29.762 0.153 0.000 1.535 464 H HN 1.002 nan 8.280 nan 0.000 0.518 465 G N 1.574 110.535 108.800 0.269 0.000 2.511 465 G HA2 0.445 4.413 3.960 0.013 0.000 0.318 465 G HA3 0.445 4.413 3.960 0.013 0.000 0.318 465 G C 0.649 175.456 174.900 -0.155 0.000 1.210 465 G CA -0.164 44.898 45.100 -0.064 0.000 0.969 465 G HN 0.691 nan 8.290 nan 0.000 0.484 466 A N 0.550 123.284 122.820 -0.144 0.000 2.024 466 A HA -0.111 4.217 4.320 0.013 0.000 0.220 466 A C 2.123 179.687 177.584 -0.034 0.000 1.164 466 A CA 1.846 53.835 52.037 -0.081 0.000 0.643 466 A CB -0.402 18.568 19.000 -0.049 0.000 0.806 466 A HN 0.539 nan 8.150 nan 0.000 0.451 467 N N -0.359 118.285 118.700 -0.094 0.000 2.223 467 N HA -0.136 4.611 4.740 0.013 0.000 0.185 467 N C 1.356 176.807 175.510 -0.099 0.000 1.016 467 N CA 1.635 54.616 53.050 -0.116 0.000 0.863 467 N CB -0.621 37.756 38.487 -0.184 0.000 0.983 467 N HN 0.791 nan 8.380 nan 0.000 0.429 468 H N 0.121 119.187 119.070 -0.006 0.000 2.395 468 H HA 0.007 4.570 4.556 0.012 0.000 0.299 468 H C 1.195 176.597 175.328 0.124 0.000 1.070 468 H CA 1.077 57.127 56.048 0.004 0.000 1.356 468 H CB 0.230 30.003 29.762 0.018 0.000 1.401 468 H HN 0.173 nan 8.280 nan 0.000 0.524 469 D N 0.455 121.017 120.400 0.270 0.000 2.117 469 D HA -0.128 4.520 4.640 0.013 0.000 0.197 469 D C 2.298 178.745 176.300 0.245 0.000 0.987 469 D CA 1.211 55.362 54.000 0.251 0.000 0.829 469 D CB -0.407 40.505 40.800 0.187 0.000 0.961 469 D HN 0.417 nan 8.370 nan 0.000 0.460 470 A N 0.690 123.607 122.820 0.161 0.000 1.933 470 A HA -0.106 4.222 4.320 0.013 0.000 0.218 470 A C 2.384 180.078 177.584 0.184 0.000 1.175 470 A CA 0.921 53.046 52.037 0.146 0.000 0.628 470 A CB -0.670 18.374 19.000 0.073 0.000 0.814 470 A HN 0.202 nan 8.150 nan 0.000 0.444 471 L N -2.233 119.086 121.223 0.161 0.000 2.240 471 L HA -0.080 4.267 4.340 0.013 0.000 0.211 471 L C 2.494 179.514 176.870 0.250 0.000 1.106 471 L CA 1.111 56.049 54.840 0.163 0.000 0.793 471 L CB -0.556 41.525 42.059 0.036 0.000 0.927 471 L HN 0.610 nan 8.230 nan 0.000 0.446 472 Y N 1.326 121.714 120.300 0.147 0.000 2.128 472 Y HA -0.334 4.222 4.550 0.010 0.000 0.284 472 Y C 2.801 178.786 175.900 0.142 0.000 1.154 472 Y CA 1.792 59.980 58.100 0.146 0.000 1.149 472 Y CB -0.136 38.410 38.460 0.143 0.000 0.976 472 Y HN -0.035 nan 8.280 nan 0.000 0.505 473 R N -0.107 120.523 120.500 0.216 0.000 2.081 473 R HA -0.207 4.141 4.340 0.013 0.000 0.235 473 R C 2.056 178.370 176.300 0.024 0.000 1.131 473 R CA 1.981 58.130 56.100 0.083 0.000 0.960 473 R CB -1.474 28.945 30.300 0.198 0.000 0.856 473 R HN 0.660 nan 8.270 nan 0.000 0.436 474 W N 0.475 121.738 121.300 -0.060 0.000 2.335 474 W HA -0.139 4.529 4.660 0.013 0.000 0.311 474 W C 1.622 178.053 176.519 -0.146 0.000 1.213 474 W CA 1.958 59.253 57.345 -0.085 0.000 1.274 474 W CB -0.255 29.160 29.460 -0.076 0.000 1.148 474 W HN 0.089 nan 8.180 nan 0.000 0.498 475 I N 0.959 121.549 120.570 0.033 0.000 2.226 475 I HA -0.340 3.838 4.170 0.013 0.000 0.245 475 I C 2.387 178.294 176.117 -0.349 0.000 1.100 475 I CA 1.377 62.522 61.300 -0.258 0.000 1.374 475 I CB -0.712 37.205 38.000 -0.137 0.000 1.057 475 I HN -0.101 nan 8.210 nan 0.000 0.413 476 K N 0.668 120.877 120.400 -0.318 0.000 2.211 476 K HA -0.092 4.236 4.320 0.013 0.000 0.204 476 K C 2.184 178.641 176.600 -0.238 0.000 1.047 476 K CA 1.298 57.419 56.287 -0.277 0.000 0.935 476 K CB -0.368 31.935 32.500 -0.329 0.000 0.728 476 K HN 0.300 nan 8.250 nan 0.000 0.452 477 S N 1.018 116.542 115.700 -0.294 0.000 2.388 477 S HA -0.077 4.400 4.470 0.013 0.000 0.223 477 S C 2.214 176.604 174.600 -0.351 0.000 1.034 477 S CA 1.097 59.133 58.200 -0.273 0.000 0.963 477 S CB -0.250 62.796 63.200 -0.257 0.000 0.827 477 S HN 0.301 nan 8.310 nan 0.000 0.481 478 V N 0.257 119.812 119.914 -0.598 0.000 2.719 478 V HA 0.123 4.251 4.120 0.013 0.000 0.252 478 V C 0.237 176.095 176.094 -0.393 0.000 1.065 478 V CA 1.503 63.439 62.300 -0.607 0.000 1.086 478 V CB -0.301 30.916 31.823 -1.009 0.000 0.700 478 V HN 0.315 nan 8.190 nan 0.000 0.467 479 D N 0.078 120.293 120.400 -0.309 0.000 2.364 479 D HA 0.413 5.061 4.640 0.013 0.000 0.251 479 D C -2.345 173.933 176.300 -0.037 0.000 1.282 479 D CA -1.855 52.071 54.000 -0.122 0.000 0.927 479 D CB 1.693 42.498 40.800 0.009 0.000 1.267 479 D HN 0.152 nan 8.370 nan 0.000 0.531 480 P HA -0.009 nan 4.420 nan 0.000 0.242 480 P C 1.025 178.340 177.300 0.025 0.000 1.197 480 P CA 0.468 63.558 63.100 -0.018 0.000 0.765 480 P CB 0.177 31.863 31.700 -0.024 0.000 0.936 481 S N -1.712 114.013 115.700 0.042 0.000 2.562 481 S HA 0.113 4.591 4.470 0.013 0.000 0.221 481 S C 0.834 175.459 174.600 0.043 0.000 0.975 481 S CA -0.075 58.154 58.200 0.049 0.000 0.918 481 S CB -0.266 62.957 63.200 0.039 0.000 0.772 481 S HN 0.044 nan 8.310 nan 0.000 0.531 482 R N 1.044 121.581 120.500 0.062 0.000 2.621 482 R HA 0.532 4.880 4.340 0.013 0.000 0.284 482 R C -3.231 173.114 176.300 0.075 0.000 0.998 482 R CA -2.166 53.937 56.100 0.005 0.000 0.895 482 R CB 1.556 31.753 30.300 -0.171 0.000 1.195 482 R HN 0.126 nan 8.270 nan 0.000 0.450 483 P HA 0.093 nan 4.420 nan 0.000 0.272 483 P C -0.872 176.529 177.300 0.168 0.000 1.230 483 P CA -0.373 62.787 63.100 0.100 0.000 0.788 483 P CB 0.681 32.427 31.700 0.077 0.000 0.949 484 V N 2.140 122.182 119.914 0.214 0.000 2.555 484 V HA 0.429 4.556 4.120 0.013 0.000 0.302 484 V C 0.178 176.457 176.094 0.307 0.000 1.038 484 V CA -0.343 62.133 62.300 0.294 0.000 0.887 484 V CB 1.252 33.223 31.823 0.247 0.000 0.991 484 V HN 0.618 nan 8.190 nan 0.000 0.434 485 Q N 3.505 123.467 119.800 0.270 0.000 2.496 485 Q HA 0.830 5.177 4.340 0.013 0.000 0.286 485 Q C -1.819 174.335 176.000 0.258 0.000 1.103 485 Q CA -0.971 54.955 55.803 0.205 0.000 0.813 485 Q CB 3.017 31.822 28.738 0.112 0.000 1.444 485 Q HN 0.636 nan 8.270 nan 0.000 0.443 486 Y N -0.156 120.150 120.300 0.010 0.000 2.337 486 Y HA 0.118 4.675 4.550 0.012 0.000 0.318 486 Y C -0.614 175.221 175.900 -0.107 0.000 1.258 486 Y CA -0.686 57.387 58.100 -0.046 0.000 1.132 486 Y CB 1.816 40.236 38.460 -0.066 0.000 1.307 486 Y HN 0.956 nan 8.280 nan 0.000 0.428 487 E N 3.397 123.098 120.200 -0.832 0.000 2.250 487 E HA 0.124 4.482 4.350 0.013 0.000 0.192 487 E C 0.714 176.880 176.600 -0.722 0.000 0.986 487 E CA 0.778 56.805 56.400 -0.622 0.000 0.849 487 E CB 0.255 29.710 29.700 -0.407 0.000 0.797 487 E HN 0.884 nan 8.360 nan 0.000 0.482 488 G N -0.238 107.762 108.800 -1.333 0.000 2.484 488 G HA2 0.238 4.206 3.960 0.013 0.000 0.235 488 G HA3 0.238 4.206 3.960 0.013 0.000 0.235 488 G C 0.778 175.544 174.900 -0.224 0.000 1.282 488 G CA 0.270 44.989 45.100 -0.634 0.000 0.857 488 G HN 0.332 nan 8.290 nan 0.000 0.571 489 G N -0.541 108.223 108.800 -0.060 0.000 2.160 489 G HA2 0.233 4.200 3.960 0.013 0.000 0.251 489 G HA3 0.233 4.200 3.960 0.013 0.000 0.251 489 G C 1.247 176.161 174.900 0.024 0.000 1.008 489 G CA 0.986 46.114 45.100 0.046 0.000 0.724 489 G HN 2.613 nan 8.290 nan 0.000 0.514 490 G N -1.527 107.278 108.800 0.009 0.000 2.205 490 G HA2 0.427 4.394 3.960 0.013 0.000 0.180 490 G HA3 0.427 4.394 3.960 0.013 0.000 0.180 490 G C 1.122 176.157 174.900 0.225 0.000 1.004 490 G CA 1.266 46.434 45.100 0.115 0.000 0.670 490 G HN 2.332 nan 8.290 nan 0.000 0.496 491 A N -0.209 122.623 122.820 0.021 0.000 3.420 491 A HA -0.125 4.203 4.320 0.013 0.000 0.269 491 A C 1.102 178.632 177.584 -0.090 0.000 1.122 491 A CA 2.675 54.661 52.037 -0.085 0.000 1.023 491 A CB -1.750 17.183 19.000 -0.111 0.000 1.099 491 A HN 2.100 nan 8.150 nan 0.000 0.860 492 D N -1.181 119.249 120.400 0.050 0.000 2.692 492 D HA 0.302 4.949 4.640 0.013 0.000 0.290 492 D C 0.405 176.712 176.300 0.013 0.000 1.455 492 D CA 0.758 54.788 54.000 0.051 0.000 0.796 492 D CB -1.183 39.792 40.800 0.291 0.000 1.131 492 D HN 0.804 nan 8.370 nan 0.000 0.467 493 T N -2.275 112.219 114.554 -0.099 0.000 2.698 493 T HA 0.200 4.557 4.350 0.013 0.000 0.295 493 T C 1.554 176.124 174.700 -0.218 0.000 1.007 493 T CA 0.455 62.428 62.100 -0.212 0.000 0.980 493 T CB 0.820 69.330 68.868 -0.597 0.000 1.036 493 T HN 0.090 nan 8.240 nan 0.000 0.526 494 T N -2.620 111.805 114.554 -0.216 0.000 3.160 494 T HA 0.273 4.630 4.350 0.013 0.000 0.257 494 T C 1.465 175.919 174.700 -0.410 0.000 1.147 494 T CA 0.168 62.148 62.100 -0.201 0.000 1.064 494 T CB -0.443 68.394 68.868 -0.052 0.000 0.949 494 T HN 0.825 nan 8.240 nan 0.000 0.526 495 A N 0.528 123.115 122.820 -0.389 0.000 2.460 495 A HA 0.511 4.839 4.320 0.013 0.000 0.258 495 A C 0.800 178.227 177.584 -0.263 0.000 1.300 495 A CA -0.331 51.469 52.037 -0.395 0.000 0.913 495 A CB 0.036 19.038 19.000 0.003 0.000 1.031 495 A HN 0.418 nan 8.150 nan 0.000 0.512 496 T N -1.328 113.078 114.554 -0.246 0.000 2.952 496 T HA 0.357 4.715 4.350 0.013 0.000 0.305 496 T C -0.563 174.153 174.700 0.026 0.000 1.064 496 T CA -0.450 61.650 62.100 -0.000 0.000 1.008 496 T CB 1.201 70.059 68.868 -0.017 0.000 1.078 496 T HN 0.101 nan 8.240 nan 0.000 0.459 497 D N 2.952 123.454 120.400 0.170 0.000 2.347 497 D HA 0.254 4.902 4.640 0.013 0.000 0.213 497 D C 0.376 176.708 176.300 0.055 0.000 0.985 497 D CA 0.754 54.842 54.000 0.146 0.000 0.879 497 D CB 0.429 41.346 40.800 0.196 0.000 0.919 497 D HN 0.538 nan 8.370 nan 0.000 0.526 498 I N 0.816 121.399 120.570 0.021 0.000 2.582 498 I HA 0.251 4.429 4.170 0.013 0.000 0.292 498 I C -0.261 175.790 176.117 -0.110 0.000 1.066 498 I CA -0.921 60.357 61.300 -0.038 0.000 1.053 498 I CB 2.887 40.877 38.000 -0.017 0.000 1.241 498 I HN -0.353 nan 8.210 nan 0.000 0.421 499 I N 5.506 125.963 120.570 -0.189 0.000 2.436 499 I HA 0.062 4.239 4.170 0.013 0.000 0.289 499 I C 0.172 176.078 176.117 -0.353 0.000 1.083 499 I CA -0.001 61.086 61.300 -0.354 0.000 1.372 499 I CB 0.140 37.812 38.000 -0.548 0.000 1.408 499 I HN 0.669 nan 8.210 nan 0.000 0.516 500 C N 5.511 124.619 119.300 -0.320 0.000 3.290 500 C HA 0.454 4.921 4.460 0.013 0.000 0.206 500 C C -2.068 172.789 174.990 -0.223 0.000 1.639 500 C CA -2.226 56.658 59.018 -0.223 0.000 1.408 500 C CB -0.976 26.693 27.740 -0.119 0.000 2.197 500 C HN 0.430 nan 8.230 nan 0.000 0.508 501 P HA 0.283 nan 4.420 nan 0.000 0.272 501 P C -0.435 176.811 177.300 -0.091 0.000 1.240 501 P CA 0.379 63.384 63.100 -0.160 0.000 0.791 501 P CB 0.775 32.399 31.700 -0.126 0.000 0.978 502 M N 0.126 119.697 119.600 -0.049 0.000 2.243 502 M HA 0.434 4.922 4.480 0.013 0.000 0.324 502 M C -0.766 175.515 176.300 -0.033 0.000 1.031 502 M CA -0.663 54.494 55.300 -0.238 0.000 0.949 502 M CB 1.211 33.660 32.600 -0.252 0.000 1.615 502 M HN 0.352 nan 8.290 nan 0.000 0.430 503 Y N -0.240 120.230 120.300 0.284 0.000 4.490 503 Y HA -0.223 4.335 4.550 0.013 0.000 0.233 503 Y C 0.532 176.614 175.900 0.303 0.000 1.101 503 Y CA 0.402 58.676 58.100 0.289 0.000 2.010 503 Y CB -2.221 36.383 38.460 0.240 0.000 1.622 503 Y HN 0.980 nan 8.280 nan 0.000 0.675 504 A N 1.215 124.261 122.820 0.377 0.000 2.440 504 A HA 0.552 4.880 4.320 0.013 0.000 0.251 504 A C 0.735 178.552 177.584 0.388 0.000 1.089 504 A CA -0.397 51.870 52.037 0.384 0.000 0.779 504 A CB 0.381 19.651 19.000 0.450 0.000 1.022 504 A HN 0.421 nan 8.150 nan 0.000 0.492 505 R N 1.395 122.052 120.500 0.261 0.000 2.583 505 R HA 0.324 4.672 4.340 0.013 0.000 0.268 505 R C 1.031 177.298 176.300 -0.054 0.000 1.101 505 R CA -0.702 55.477 56.100 0.130 0.000 1.180 505 R CB 0.513 30.855 30.300 0.071 0.000 1.128 505 R HN 0.484 nan 8.270 nan 0.000 0.568 506 V N 0.633 120.340 119.914 -0.346 0.000 2.283 506 V HA -0.192 3.936 4.120 0.013 0.000 0.243 506 V C 0.949 176.924 176.094 -0.199 0.000 1.039 506 V CA 1.880 63.947 62.300 -0.390 0.000 1.016 506 V CB -0.255 31.216 31.823 -0.586 0.000 0.650 506 V HN 0.744 nan 8.190 nan 0.000 0.449 507 D N -1.475 118.842 120.400 -0.139 0.000 2.473 507 D HA 0.094 4.741 4.640 0.013 0.000 0.230 507 D C 0.905 177.191 176.300 -0.025 0.000 1.097 507 D CA 0.036 53.992 54.000 -0.073 0.000 0.861 507 D CB 0.707 41.468 40.800 -0.065 0.000 1.114 507 D HN 0.475 nan 8.370 nan 0.000 0.500 508 E N 1.982 122.172 120.200 -0.018 0.000 2.167 508 E HA 0.103 4.461 4.350 0.013 0.000 0.284 508 E C -0.813 175.793 176.600 0.010 0.000 1.016 508 E CA -0.541 55.858 56.400 -0.002 0.000 0.817 508 E CB 0.909 30.607 29.700 -0.003 0.000 1.080 508 E HN -0.184 nan 8.360 nan 0.000 0.397 509 D N 3.620 124.029 120.400 0.014 0.000 2.313 509 D HA 0.147 4.794 4.640 0.013 0.000 0.247 509 D C -0.614 175.595 176.300 -0.152 0.000 1.094 509 D CA 0.150 54.160 54.000 0.017 0.000 0.925 509 D CB 1.189 42.069 40.800 0.133 0.000 1.188 509 D HN 0.423 nan 8.370 nan 0.000 0.430 510 Q N 1.387 120.980 119.800 -0.347 0.000 2.695 510 Q HA 0.246 4.594 4.340 0.013 0.000 0.246 510 Q C -2.254 173.139 176.000 -1.011 0.000 0.961 510 Q CA -1.496 53.897 55.803 -0.683 0.000 0.708 510 Q CB 2.555 30.857 28.738 -0.727 0.000 1.282 510 Q HN 0.161 nan 8.270 nan 0.000 0.482 511 P HA 0.003 nan 4.420 nan 0.000 0.225 511 P C -0.622 176.387 177.300 -0.485 0.000 1.768 511 P CA -0.044 62.645 63.100 -0.685 0.000 0.943 511 P CB -0.545 30.959 31.700 -0.326 0.000 1.936 512 F N 1.680 121.455 119.950 -0.293 0.000 2.553 512 F HA 0.114 4.648 4.527 0.012 0.000 0.356 512 F C -1.231 174.460 175.800 -0.181 0.000 1.142 512 F CA -2.100 55.788 58.000 -0.187 0.000 1.322 512 F CB -0.474 38.425 39.000 -0.167 0.000 1.126 512 F HN 0.046 nan 8.300 nan 0.000 0.599 513 P HA 0.164 nan 4.420 nan 0.000 0.271 513 P C 0.153 177.468 177.300 0.025 0.000 1.216 513 P CA 1.013 64.131 63.100 0.030 0.000 0.776 513 P CB 1.311 33.028 31.700 0.027 0.000 0.881 514 A N 2.577 125.404 122.820 0.012 0.000 2.070 514 A HA -0.243 4.085 4.320 0.013 0.000 0.231 514 A C 0.755 178.345 177.584 0.010 0.000 0.501 514 A CA 2.028 54.076 52.037 0.017 0.000 1.119 514 A CB -2.700 16.311 19.000 0.018 0.000 1.430 514 A HN 0.670 nan 8.150 nan 0.000 0.706 515 V N -2.859 117.054 119.914 -0.001 0.000 2.454 515 V HA 0.556 4.684 4.120 0.013 0.000 0.255 515 V C -2.321 173.766 176.094 -0.012 0.000 1.009 515 V CA -1.258 61.040 62.300 -0.003 0.000 1.149 515 V CB 0.538 32.358 31.823 -0.006 0.000 1.418 515 V HN 0.516 nan 8.190 nan 0.000 0.567 516 P HA 0.238 nan 4.420 nan 0.000 0.269 516 P C -0.599 176.312 177.300 -0.649 0.000 1.215 516 P CA 0.147 62.911 63.100 -0.559 0.000 0.780 516 P CB 0.999 31.879 31.700 -1.367 0.000 0.898 517 K N 2.357 122.459 120.400 -0.496 0.000 2.419 517 K HA 0.200 4.527 4.320 0.013 0.000 0.244 517 K C -0.393 175.983 176.600 -0.374 0.000 1.045 517 K CA -0.265 55.911 56.287 -0.185 0.000 1.004 517 K CB 0.354 32.991 32.500 0.229 0.000 1.376 517 K HN 0.473 nan 8.250 nan 0.000 0.460 518 W N 1.364 122.387 121.300 -0.461 0.000 2.126 518 W HA 0.039 4.707 4.660 0.014 0.000 0.346 518 W C 1.349 177.898 176.519 0.050 0.000 1.279 518 W CA -0.485 56.682 57.345 -0.297 0.000 1.259 518 W CB 0.445 29.569 29.460 -0.559 0.000 1.133 518 W HN 0.374 nan 8.180 nan 0.000 0.592 519 S N 3.195 119.068 115.700 0.287 0.000 2.558 519 S HA -0.088 4.389 4.470 0.013 0.000 0.293 519 S C 1.206 175.959 174.600 0.255 0.000 1.292 519 S CA -0.111 58.198 58.200 0.180 0.000 1.063 519 S CB 0.177 63.428 63.200 0.086 0.000 0.831 519 S HN 0.511 nan 8.310 nan 0.000 0.499 520 I N 2.148 122.830 120.570 0.187 0.000 2.286 520 I HA -0.153 4.025 4.170 0.013 0.000 0.248 520 I C 2.101 178.248 176.117 0.050 0.000 1.115 520 I CA 1.297 62.706 61.300 0.182 0.000 1.392 520 I CB -0.469 37.586 38.000 0.092 0.000 1.065 520 I HN 0.610 nan 8.210 nan 0.000 0.418 521 K N 1.468 121.792 120.400 -0.128 0.000 2.057 521 K HA -0.173 4.155 4.320 0.013 0.000 0.207 521 K C 2.305 178.895 176.600 -0.017 0.000 1.049 521 K CA 1.741 57.866 56.287 -0.271 0.000 0.931 521 K CB -0.183 32.057 32.500 -0.434 0.000 0.714 521 K HN 0.389 nan 8.250 nan 0.000 0.440 522 K N 0.053 120.471 120.400 0.031 0.000 2.167 522 K HA -0.152 4.176 4.320 0.013 0.000 0.203 522 K C 1.892 178.520 176.600 0.047 0.000 1.052 522 K CA 0.662 56.954 56.287 0.009 0.000 0.956 522 K CB -0.037 32.437 32.500 -0.043 0.000 0.735 522 K HN 0.196 nan 8.250 nan 0.000 0.451 523 W N 2.098 123.383 121.300 -0.024 0.000 2.338 523 W HA -0.182 4.484 4.660 0.010 0.000 0.304 523 W C 1.545 178.052 176.519 -0.020 0.000 1.212 523 W CA 1.140 58.487 57.345 0.003 0.000 1.264 523 W CB -0.613 28.930 29.460 0.137 0.000 1.142 523 W HN 0.078 nan 8.180 nan 0.000 0.512 524 L N 0.819 122.196 121.223 0.256 0.000 2.127 524 L HA -0.241 4.106 4.340 0.013 0.000 0.211 524 L C 2.225 179.164 176.870 0.116 0.000 1.089 524 L CA 1.949 56.878 54.840 0.148 0.000 0.757 524 L CB -0.957 41.175 42.059 0.121 0.000 0.899 524 L HN -0.020 nan 8.230 nan 0.000 0.434 525 S N -1.345 114.407 115.700 0.086 0.000 2.572 525 S HA 0.266 4.744 4.470 0.013 0.000 0.228 525 S C 0.553 175.147 174.600 -0.011 0.000 0.963 525 S CA -0.545 57.678 58.200 0.038 0.000 0.939 525 S CB -0.450 62.770 63.200 0.034 0.000 0.804 525 S HN 0.150 nan 8.310 nan 0.000 0.480 526 L N 2.033 123.240 121.223 -0.026 0.000 2.506 526 L HA 0.221 4.569 4.340 0.013 0.000 0.281 526 L C -2.253 174.593 176.870 -0.040 0.000 1.228 526 L CA -1.681 53.099 54.840 -0.099 0.000 0.850 526 L CB -0.479 41.494 42.059 -0.145 0.000 1.110 526 L HN 0.003 nan 8.230 nan 0.000 0.496 527 P HA -0.047 nan 4.420 nan 0.000 0.258 527 P C 0.796 178.094 177.300 -0.003 0.000 1.172 527 P CA 1.152 64.234 63.100 -0.029 0.000 0.762 527 P CB 0.472 32.149 31.700 -0.038 0.000 0.764 528 G N 1.829 110.633 108.800 0.007 0.000 2.205 528 G HA2 -0.275 3.693 3.960 0.013 0.000 0.261 528 G HA3 -0.275 3.693 3.960 0.013 0.000 0.261 528 G C 0.253 175.172 174.900 0.033 0.000 0.980 528 G CA 0.099 45.211 45.100 0.020 0.000 0.632 528 G HN 0.612 nan 8.290 nan 0.000 0.533 529 E N 1.046 121.271 120.200 0.042 0.000 2.338 529 E HA 0.597 4.955 4.350 0.013 0.000 0.272 529 E C 1.342 177.970 176.600 0.047 0.000 1.029 529 E CA 0.684 57.121 56.400 0.062 0.000 0.872 529 E CB 0.754 30.519 29.700 0.108 0.000 1.015 529 E HN 0.523 nan 8.360 nan 0.000 0.417 530 T N 0.625 115.203 114.554 0.039 0.000 3.130 530 T HA 0.327 4.685 4.350 0.013 0.000 0.288 530 T C 0.539 175.250 174.700 0.019 0.000 0.936 530 T CA -0.483 61.634 62.100 0.029 0.000 0.897 530 T CB 0.085 68.969 68.868 0.026 0.000 1.178 530 T HN 0.242 nan 8.240 nan 0.000 0.543 531 R N 2.443 122.950 120.500 0.012 0.000 2.615 531 R HA 0.447 4.794 4.340 0.013 0.000 0.270 531 R C -2.484 173.797 176.300 -0.031 0.000 1.081 531 R CA -1.805 54.291 56.100 -0.008 0.000 1.154 531 R CB 0.114 30.402 30.300 -0.021 0.000 1.063 531 R HN 0.234 nan 8.270 nan 0.000 0.519 532 P HA 0.080 nan 4.420 nan 0.000 0.274 532 P C -1.041 176.190 177.300 -0.114 0.000 1.246 532 P CA -0.147 62.913 63.100 -0.066 0.000 0.795 532 P CB 0.734 32.394 31.700 -0.067 0.000 1.006 533 L N 2.334 123.471 121.223 -0.143 0.000 2.349 533 L HA 0.564 4.911 4.340 0.013 0.000 0.278 533 L C -0.957 175.775 176.870 -0.229 0.000 0.996 533 L CA -0.651 54.066 54.840 -0.205 0.000 0.825 533 L CB 0.550 42.483 42.059 -0.209 0.000 1.243 533 L HN 0.233 nan 8.230 nan 0.000 0.412 534 I N 5.691 126.128 120.570 -0.222 0.000 2.500 534 I HA 0.253 4.430 4.170 0.013 0.000 0.286 534 I C -0.757 175.268 176.117 -0.154 0.000 1.063 534 I CA -0.541 60.612 61.300 -0.245 0.000 1.062 534 I CB 1.970 39.873 38.000 -0.162 0.000 1.223 534 I HN 0.461 nan 8.210 nan 0.000 0.435 535 L N 5.555 126.657 121.223 -0.202 0.000 2.462 535 L HA 0.018 4.366 4.340 0.013 0.000 0.272 535 L C 1.478 178.418 176.870 0.116 0.000 1.166 535 L CA -0.064 54.725 54.840 -0.084 0.000 0.880 535 L CB 0.590 42.575 42.059 -0.124 0.000 1.142 535 L HN 0.866 nan 8.230 nan 0.000 0.473 536 C N 0.185 119.537 119.300 0.087 0.000 2.481 536 C HA 0.183 4.650 4.460 0.013 0.000 0.275 536 C C 0.618 175.742 174.990 0.223 0.000 1.419 536 C CA -0.268 58.850 59.018 0.166 0.000 1.773 536 C CB -1.123 26.625 27.740 0.012 0.000 1.862 536 C HN 0.831 nan 8.230 nan 0.000 0.530 537 E N -0.828 119.433 120.200 0.102 0.000 2.321 537 E HA 0.588 4.946 4.350 0.013 0.000 0.281 537 E C -1.346 175.188 176.600 -0.110 0.000 0.910 537 E CA -0.397 56.044 56.400 0.068 0.000 0.770 537 E CB 1.914 31.461 29.700 -0.256 0.000 1.225 537 E HN 0.663 nan 8.360 nan 0.000 0.417 538 Y N -0.847 119.442 120.300 -0.018 0.000 2.689 538 Y HA 0.658 5.217 4.550 0.014 0.000 0.333 538 Y C -0.571 175.502 175.900 0.288 0.000 1.208 538 Y CA -0.896 57.210 58.100 0.010 0.000 1.055 538 Y CB 0.955 39.251 38.460 -0.273 0.000 1.304 538 Y HN 0.635 nan 8.280 nan 0.000 0.455 539 A N 1.775 124.671 122.820 0.127 0.000 2.416 539 A HA -0.267 4.061 4.320 0.013 0.000 0.293 539 A C -0.413 177.277 177.584 0.177 0.000 1.452 539 A CA 1.050 53.136 52.037 0.082 0.000 0.738 539 A CB -2.535 16.380 19.000 -0.142 0.000 1.123 539 A HN 1.075 nan 8.150 nan 0.000 0.389 540 H N 0.644 119.854 119.070 0.233 0.000 3.191 540 H HA 0.285 4.849 4.556 0.013 0.000 0.261 540 H C 1.080 176.442 175.328 0.057 0.000 1.013 540 H CA 0.794 56.975 56.048 0.223 0.000 1.457 540 H CB 0.442 30.216 29.762 0.020 0.000 1.535 540 H HN 0.791 nan 8.280 nan 0.000 0.518 541 A N 6.701 129.384 122.820 -0.228 0.000 2.840 541 A HA 0.069 4.397 4.320 0.013 0.000 0.269 541 A C 0.844 178.261 177.584 -0.278 0.000 1.439 541 A CA -0.406 51.490 52.037 -0.235 0.000 1.083 541 A CB -0.638 18.206 19.000 -0.259 0.000 1.019 541 A HN 0.798 nan 8.150 nan 0.000 0.607 542 M N 1.376 120.805 119.600 -0.285 0.000 2.105 542 M HA 0.459 4.947 4.480 0.013 0.000 0.350 542 M C 0.973 177.151 176.300 -0.203 0.000 1.308 542 M CA 1.171 56.333 55.300 -0.231 0.000 1.108 542 M CB -0.074 32.456 32.600 -0.118 0.000 1.622 542 M HN 0.812 nan 8.290 nan 0.000 0.468 543 G N 4.364 113.026 108.800 -0.231 0.000 2.574 543 G HA2 -0.352 3.615 3.960 0.013 0.000 0.286 543 G HA3 -0.352 3.615 3.960 0.013 0.000 0.286 543 G C -0.200 174.233 174.900 -0.778 0.000 1.212 543 G CA 0.159 44.951 45.100 -0.514 0.000 0.979 543 G HN 0.862 nan 8.290 nan 0.000 0.557 544 N N 1.225 119.328 118.700 -0.995 0.000 2.466 544 N HA 0.491 5.238 4.740 0.013 0.000 0.263 544 N C 0.047 175.330 175.510 -0.377 0.000 1.178 544 N CA 1.091 53.713 53.050 -0.713 0.000 0.983 544 N CB 0.463 38.548 38.487 -0.670 0.000 1.331 544 N HN 0.840 nan 8.380 nan 0.000 0.500 545 S N 2.198 117.757 115.700 -0.235 0.000 2.998 545 S HA 0.618 5.096 4.470 0.013 0.000 0.321 545 S C -0.163 174.382 174.600 -0.092 0.000 1.171 545 S CA -0.352 57.759 58.200 -0.149 0.000 0.882 545 S CB 0.121 63.248 63.200 -0.122 0.000 1.301 545 S HN 0.347 nan 8.310 nan 0.000 0.629 546 L N 0.060 121.258 121.223 -0.042 0.000 4.639 546 L HA -0.048 4.299 4.340 0.013 0.000 0.402 546 L C 0.541 177.458 176.870 0.079 0.000 1.069 546 L CA 0.913 55.753 54.840 0.000 0.000 1.105 546 L CB -1.819 40.157 42.059 -0.140 0.000 2.122 546 L HN 0.746 nan 8.230 nan 0.000 0.662 547 G N -0.763 108.053 108.800 0.026 0.000 2.365 547 G HA2 0.474 4.442 3.960 0.013 0.000 0.249 547 G HA3 0.474 4.442 3.960 0.013 0.000 0.249 547 G C 1.236 176.186 174.900 0.084 0.000 1.288 547 G CA 0.212 45.307 45.100 -0.010 0.000 0.887 547 G HN 1.406 nan 8.290 nan 0.000 0.524 548 G N 1.676 110.519 108.800 0.072 0.000 2.157 548 G HA2 -0.317 3.650 3.960 0.013 0.000 0.248 548 G HA3 -0.317 3.650 3.960 0.013 0.000 0.248 548 G C 1.000 176.087 174.900 0.312 0.000 0.979 548 G CA 0.754 45.951 45.100 0.162 0.000 0.650 548 G HN 0.807 nan 8.290 nan 0.000 0.529 549 F N 1.824 121.898 119.950 0.205 0.000 2.161 549 F HA 0.133 4.668 4.527 0.013 0.000 0.300 549 F C 2.629 178.646 175.800 0.361 0.000 1.089 549 F CA 2.437 60.631 58.000 0.323 0.000 1.282 549 F CB -0.435 38.695 39.000 0.217 0.000 1.010 549 F HN 0.349 nan 8.300 nan 0.000 0.485 550 A N -0.378 122.600 122.820 0.263 0.000 2.019 550 A HA -0.218 4.110 4.320 0.013 0.000 0.219 550 A C 2.283 179.888 177.584 0.035 0.000 1.164 550 A CA 1.624 53.747 52.037 0.144 0.000 0.644 550 A CB -0.783 18.309 19.000 0.154 0.000 0.805 550 A HN 0.443 nan 8.150 nan 0.000 0.449 551 K N -1.618 118.787 120.400 0.008 0.000 2.147 551 K HA -0.171 4.156 4.320 0.013 0.000 0.205 551 K C 1.639 178.025 176.600 -0.356 0.000 1.049 551 K CA 1.549 57.757 56.287 -0.132 0.000 0.936 551 K CB -0.291 32.129 32.500 -0.135 0.000 0.722 551 K HN 0.599 nan 8.250 nan 0.000 0.446 552 Y N -0.995 119.043 120.300 -0.436 0.000 2.163 552 Y HA -0.221 4.336 4.550 0.012 0.000 0.288 552 Y C 1.918 176.910 175.900 -1.513 0.000 1.136 552 Y CA 1.452 58.947 58.100 -1.008 0.000 1.147 552 Y CB -0.230 37.614 38.460 -1.027 0.000 0.987 552 Y HN 0.161 nan 8.280 nan 0.000 0.509 553 W N -0.004 120.906 121.300 -0.650 0.000 2.363 553 W HA -0.194 4.474 4.660 0.014 0.000 0.296 553 W C 2.609 178.976 176.519 -0.253 0.000 1.212 553 W CA 1.434 58.525 57.345 -0.423 0.000 1.260 553 W CB -0.487 28.791 29.460 -0.302 0.000 1.131 553 W HN 0.044 nan 8.180 nan 0.000 0.530 554 Q N 0.775 120.508 119.800 -0.113 0.000 2.119 554 Q HA -0.156 4.192 4.340 0.013 0.000 0.201 554 Q C 2.178 178.127 176.000 -0.085 0.000 0.972 554 Q CA 1.976 57.745 55.803 -0.057 0.000 0.847 554 Q CB -0.539 28.174 28.738 -0.043 0.000 0.903 554 Q HN 0.270 nan 8.270 nan 0.000 0.433 555 A N -0.009 122.671 122.820 -0.235 0.000 1.898 555 A HA -0.103 4.224 4.320 0.013 0.000 0.216 555 A C 2.046 179.606 177.584 -0.040 0.000 1.181 555 A CA 1.047 52.970 52.037 -0.190 0.000 0.620 555 A CB -1.051 17.699 19.000 -0.416 0.000 0.819 555 A HN 0.464 nan 8.150 nan 0.000 0.442 556 F N -0.429 119.352 119.950 -0.280 0.000 2.126 556 F HA -0.213 4.321 4.527 0.013 0.000 0.299 556 F C 2.771 178.473 175.800 -0.164 0.000 1.096 556 F CA 1.192 58.994 58.000 -0.331 0.000 1.255 556 F CB -0.167 38.414 39.000 -0.698 0.000 0.997 556 F HN 0.146 nan 8.300 nan 0.000 0.479 557 R N 0.014 120.567 120.500 0.087 0.000 2.090 557 R HA -0.165 4.183 4.340 0.013 0.000 0.228 557 R C 2.151 178.484 176.300 0.056 0.000 1.110 557 R CA 1.182 57.317 56.100 0.058 0.000 0.973 557 R CB -0.387 29.944 30.300 0.052 0.000 0.869 557 R HN 0.364 nan 8.270 nan 0.000 0.440 558 Q N -0.330 119.530 119.800 0.100 0.000 2.123 558 Q HA -0.079 4.269 4.340 0.013 0.000 0.199 558 Q C -0.432 175.606 176.000 0.062 0.000 0.966 558 Q CA 1.039 56.898 55.803 0.093 0.000 0.845 558 Q CB 0.313 29.137 28.738 0.143 0.000 0.907 558 Q HN 0.191 nan 8.270 nan 0.000 0.439 559 Y N 0.093 120.375 120.300 -0.030 0.000 2.353 559 Y HA 0.252 4.809 4.550 0.012 0.000 0.340 559 Y C -1.765 174.111 175.900 -0.041 0.000 0.972 559 Y CA -2.814 55.268 58.100 -0.030 0.000 1.157 559 Y CB 1.365 39.812 38.460 -0.021 0.000 1.157 559 Y HN 0.132 nan 8.280 nan 0.000 0.495 560 P HA -0.147 nan 4.420 nan 0.000 0.215 560 P C 1.072 178.374 177.300 0.003 0.000 1.153 560 P CA 1.812 64.913 63.100 0.002 0.000 0.853 560 P CB 0.309 31.995 31.700 -0.023 0.000 0.788 561 R N -1.217 119.304 120.500 0.035 0.000 2.307 561 R HA 0.098 4.446 4.340 0.013 0.000 0.199 561 R C 0.484 176.768 176.300 -0.026 0.000 1.000 561 R CA 0.126 56.229 56.100 0.005 0.000 1.023 561 R CB -0.461 29.851 30.300 0.021 0.000 0.908 561 R HN 0.240 nan 8.270 nan 0.000 0.473 562 L N 1.999 123.228 121.223 0.009 0.000 2.312 562 L HA 0.118 4.465 4.340 0.013 0.000 0.287 562 L C 0.534 177.270 176.870 -0.224 0.000 1.091 562 L CA 0.177 54.982 54.840 -0.059 0.000 0.846 562 L CB 1.079 43.176 42.059 0.063 0.000 1.219 562 L HN 0.107 nan 8.230 nan 0.000 0.439 563 Q N 2.824 122.407 119.800 -0.361 0.000 2.201 563 Q HA 0.307 4.654 4.340 0.013 0.000 0.217 563 Q C 0.806 176.363 176.000 -0.738 0.000 0.860 563 Q CA 0.085 55.626 55.803 -0.437 0.000 0.984 563 Q CB 1.019 29.596 28.738 -0.269 0.000 1.095 563 Q HN 0.942 nan 8.270 nan 0.000 0.477 564 G N -0.335 107.615 108.800 -1.416 0.000 2.428 564 G HA2 0.115 4.083 3.960 0.013 0.000 0.202 564 G HA3 0.115 4.083 3.960 0.013 0.000 0.202 564 G C -0.333 173.695 174.900 -1.455 0.000 1.247 564 G CA -0.760 43.137 45.100 -2.005 0.000 1.020 564 G HN 0.564 nan 8.290 nan 0.000 0.529 565 G N -2.232 106.000 108.800 -0.947 0.000 2.349 565 G HA2 0.647 4.615 3.960 0.013 0.000 0.294 565 G HA3 0.647 4.615 3.960 0.013 0.000 0.294 565 G C -1.808 173.006 174.900 -0.144 0.000 1.380 565 G CA -0.332 44.438 45.100 -0.551 0.000 0.811 565 G HN 1.146 nan 8.290 nan 0.000 0.519 566 F N 0.729 120.917 119.950 0.396 0.000 2.403 566 F HA 0.502 5.036 4.527 0.012 0.000 0.355 566 F C 0.769 176.858 175.800 0.481 0.000 1.119 566 F CA -0.783 57.474 58.000 0.429 0.000 1.007 566 F CB 2.106 41.252 39.000 0.243 0.000 1.194 566 F HN 0.258 nan 8.300 nan 0.000 0.443 567 V N 3.357 123.579 119.914 0.513 0.000 2.872 567 V HA -0.153 3.975 4.120 0.013 0.000 0.307 567 V C -0.227 176.005 176.094 0.230 0.000 1.072 567 V CA -0.197 62.193 62.300 0.150 0.000 1.148 567 V CB 0.711 32.602 31.823 0.113 0.000 0.954 567 V HN 0.765 nan 8.190 nan 0.000 0.490 568 W N 6.569 127.928 121.300 0.099 0.000 2.296 568 W HA 0.481 5.148 4.660 0.012 0.000 0.316 568 W C -0.928 175.556 176.519 -0.059 0.000 1.022 568 W CA -0.671 56.749 57.345 0.124 0.000 1.324 568 W CB 1.307 30.992 29.460 0.375 0.000 1.227 568 W HN 0.916 nan 8.180 nan 0.000 0.409 569 D N 2.734 122.754 120.400 -0.632 0.000 2.759 569 D HA 0.090 4.738 4.640 0.013 0.000 0.321 569 D C 0.639 176.667 176.300 -0.453 0.000 1.267 569 D CA -0.598 52.919 54.000 -0.806 0.000 0.933 569 D CB 0.206 39.924 40.800 -1.802 0.000 1.431 569 D HN 0.412 nan 8.370 nan 0.000 0.504 570 W N 0.529 121.480 121.300 -0.582 0.000 2.380 570 W HA 0.104 4.772 4.660 0.013 0.000 0.317 570 W C -0.150 176.110 176.519 -0.430 0.000 1.196 570 W CA 1.111 58.172 57.345 -0.474 0.000 1.307 570 W CB 0.298 29.511 29.460 -0.412 0.000 1.157 570 W HN 0.168 nan 8.180 nan 0.000 0.483 571 V N 2.887 122.540 119.914 -0.434 0.000 2.588 571 V HA 0.229 4.356 4.120 0.013 0.000 0.304 571 V C -0.854 175.012 176.094 -0.381 0.000 1.042 571 V CA -0.777 61.221 62.300 -0.503 0.000 0.877 571 V CB 1.357 33.000 31.823 -0.300 0.000 0.996 571 V HN -0.094 nan 8.190 nan 0.000 0.425 572 D N 4.199 124.370 120.400 -0.381 0.000 2.525 572 D HA 0.058 4.705 4.640 0.013 0.000 0.235 572 D C 0.447 176.569 176.300 -0.296 0.000 1.137 572 D CA 0.733 54.572 54.000 -0.268 0.000 0.868 572 D CB 0.809 41.557 40.800 -0.086 0.000 1.180 572 D HN 0.629 nan 8.370 nan 0.000 0.465 573 Q N 1.103 120.658 119.800 -0.408 0.000 2.938 573 Q HA 0.113 4.461 4.340 0.013 0.000 0.343 573 Q C -0.056 175.904 176.000 -0.066 0.000 1.185 573 Q CA -0.307 55.041 55.803 -0.759 0.000 0.939 573 Q CB -0.009 28.396 28.738 -0.556 0.000 1.480 573 Q HN 0.366 nan 8.270 nan 0.000 0.442 574 S N -0.279 115.501 115.700 0.134 0.000 2.610 574 S HA 0.601 5.079 4.470 0.013 0.000 0.273 574 S C -0.100 174.703 174.600 0.338 0.000 1.274 574 S CA -0.743 57.656 58.200 0.332 0.000 1.023 574 S CB 1.381 64.752 63.200 0.286 0.000 0.962 574 S HN 0.322 nan 8.310 nan 0.000 0.523 575 L N 1.800 123.142 121.223 0.199 0.000 2.354 575 L HA 0.522 4.870 4.340 0.013 0.000 0.269 575 L C -0.456 176.341 176.870 -0.122 0.000 1.005 575 L CA -1.200 53.629 54.840 -0.020 0.000 0.819 575 L CB 1.519 43.461 42.059 -0.194 0.000 1.311 575 L HN 0.554 nan 8.230 nan 0.000 0.423 576 I N 2.364 122.804 120.570 -0.217 0.000 2.474 576 I HA 0.273 4.451 4.170 0.013 0.000 0.287 576 I C 0.157 175.899 176.117 -0.625 0.000 1.048 576 I CA -0.035 60.999 61.300 -0.443 0.000 1.383 576 I CB 1.085 38.826 38.000 -0.432 0.000 1.412 576 I HN 0.575 nan 8.210 nan 0.000 0.531 577 K N 5.170 124.920 120.400 -1.083 0.000 2.400 577 K HA 0.553 4.881 4.320 0.013 0.000 0.246 577 K C -1.577 174.221 176.600 -1.336 0.000 0.995 577 K CA -0.713 54.866 56.287 -1.180 0.000 0.840 577 K CB 2.364 33.881 32.500 -1.639 0.000 1.293 577 K HN 0.247 nan 8.250 nan 0.000 0.445 578 Y N 0.936 120.967 120.300 -0.448 0.000 2.364 578 Y HA 0.115 4.672 4.550 0.013 0.000 0.340 578 Y C 0.298 176.258 175.900 0.100 0.000 0.975 578 Y CA -0.997 57.017 58.100 -0.143 0.000 1.089 578 Y CB 1.279 39.685 38.460 -0.089 0.000 1.192 578 Y HN 0.697 nan 8.280 nan 0.000 0.454 579 D N 0.290 120.927 120.400 0.396 0.000 2.398 579 D HA 0.014 4.662 4.640 0.013 0.000 0.264 579 D C 0.956 177.366 176.300 0.183 0.000 1.263 579 D CA -0.135 54.057 54.000 0.321 0.000 1.037 579 D CB 0.643 41.581 40.800 0.231 0.000 1.101 579 D HN 0.390 nan 8.370 nan 0.000 0.551 580 E N -0.729 119.541 120.200 0.116 0.000 2.118 580 E HA -0.136 4.222 4.350 0.013 0.000 0.195 580 E C 1.257 177.895 176.600 0.063 0.000 0.992 580 E CA 0.882 57.325 56.400 0.072 0.000 0.804 580 E CB -0.327 29.398 29.700 0.042 0.000 0.741 580 E HN 0.422 nan 8.360 nan 0.000 0.458 581 N N -0.452 118.293 118.700 0.075 0.000 2.461 581 N HA -0.000 4.747 4.740 0.013 0.000 0.188 581 N C 0.863 176.419 175.510 0.076 0.000 1.134 581 N CA 0.909 53.997 53.050 0.063 0.000 0.878 581 N CB 0.697 39.220 38.487 0.059 0.000 0.972 581 N HN 0.231 nan 8.380 nan 0.000 0.456 582 G N 0.985 109.852 108.800 0.112 0.000 2.147 582 G HA2 -0.242 3.726 3.960 0.013 0.000 0.244 582 G HA3 -0.242 3.726 3.960 0.013 0.000 0.244 582 G C -0.302 174.740 174.900 0.236 0.000 1.005 582 G CA -0.374 44.807 45.100 0.134 0.000 0.713 582 G HN 0.262 nan 8.290 nan 0.000 0.515 583 N N 1.515 120.356 118.700 0.235 0.000 2.479 583 N HA 0.464 5.212 4.740 0.013 0.000 0.285 583 N C -2.395 173.242 175.510 0.212 0.000 1.075 583 N CA -1.242 51.938 53.050 0.216 0.000 0.967 583 N CB 1.851 40.432 38.487 0.156 0.000 1.137 583 N HN 0.164 nan 8.380 nan 0.000 0.472 584 P HA 0.244 nan 4.420 nan 0.000 0.274 584 P C -0.521 176.702 177.300 -0.129 0.000 1.231 584 P CA -0.231 62.672 63.100 -0.328 0.000 0.790 584 P CB 0.642 32.178 31.700 -0.274 0.000 0.951 585 W N -0.910 120.128 121.300 -0.436 0.000 3.296 585 W HA 0.370 5.038 4.660 0.013 0.000 0.314 585 W C -1.502 174.823 176.519 -0.324 0.000 1.238 585 W CA -0.988 56.106 57.345 -0.418 0.000 1.193 585 W CB 0.308 29.247 29.460 -0.867 0.000 1.383 585 W HN 0.105 nan 8.180 nan 0.000 0.545 586 S N 1.810 117.588 115.700 0.131 0.000 2.455 586 S HA 0.541 5.019 4.470 0.013 0.000 0.278 586 S C 0.271 175.060 174.600 0.315 0.000 1.216 586 S CA -0.158 58.127 58.200 0.141 0.000 1.055 586 S CB 0.692 64.020 63.200 0.214 0.000 0.939 586 S HN 0.592 nan 8.310 nan 0.000 0.494 587 A N 3.192 126.067 122.820 0.091 0.000 2.311 587 A HA 0.882 5.210 4.320 0.013 0.000 0.334 587 A C -0.583 177.289 177.584 0.480 0.000 1.139 587 A CA -0.731 51.417 52.037 0.186 0.000 0.830 587 A CB 0.621 19.412 19.000 -0.348 0.000 1.234 587 A HN 0.838 nan 8.150 nan 0.000 0.483 588 Y N -0.841 119.799 120.300 0.566 0.000 3.048 588 Y HA 0.771 5.329 4.550 0.013 0.000 0.305 588 Y C 0.703 176.968 175.900 0.609 0.000 1.538 588 Y CA -1.277 57.146 58.100 0.538 0.000 1.082 588 Y CB -0.108 38.506 38.460 0.258 0.000 1.388 588 Y HN 0.873 nan 8.280 nan 0.000 0.557 589 G N -0.325 108.874 108.800 0.665 0.000 2.353 589 G HA2 0.367 4.335 3.960 0.013 0.000 0.239 589 G HA3 0.367 4.335 3.960 0.013 0.000 0.239 589 G C 0.963 176.169 174.900 0.511 0.000 1.295 589 G CA 0.337 45.752 45.100 0.525 0.000 0.884 589 G HN 1.946 nan 8.290 nan 0.000 0.537 590 G N 1.985 111.059 108.800 0.458 0.000 2.234 590 G HA2 -0.290 3.678 3.960 0.013 0.000 0.260 590 G HA3 -0.290 3.678 3.960 0.013 0.000 0.260 590 G C 0.915 176.001 174.900 0.311 0.000 0.987 590 G CA 0.696 46.003 45.100 0.345 0.000 0.625 590 G HN 0.649 nan 8.290 nan 0.000 0.532 591 D N -0.254 120.342 120.400 0.326 0.000 2.392 591 D HA 0.110 4.758 4.640 0.013 0.000 0.228 591 D C 1.220 177.391 176.300 -0.216 0.000 1.003 591 D CA 0.553 54.584 54.000 0.051 0.000 0.917 591 D CB -0.203 40.572 40.800 -0.042 0.000 0.890 591 D HN 0.495 nan 8.370 nan 0.000 0.532 592 F N -0.957 119.116 119.950 0.205 0.000 2.698 592 F HA 0.311 4.846 4.527 0.013 0.000 0.304 592 F C 1.761 177.643 175.800 0.137 0.000 1.108 592 F CA -0.221 57.858 58.000 0.132 0.000 1.263 592 F CB 0.817 39.886 39.000 0.114 0.000 1.013 592 F HN -0.055 nan 8.300 nan 0.000 0.532 593 G N 0.319 109.269 108.800 0.249 0.000 2.179 593 G HA2 -0.273 3.695 3.960 0.013 0.000 0.260 593 G HA3 -0.273 3.695 3.960 0.013 0.000 0.260 593 G C -0.191 174.839 174.900 0.217 0.000 0.977 593 G CA 0.118 45.335 45.100 0.195 0.000 0.641 593 G HN 0.402 nan 8.290 nan 0.000 0.533 594 D N 0.557 121.133 120.400 0.294 0.000 2.417 594 D HA 0.501 5.149 4.640 0.013 0.000 0.250 594 D C 0.143 176.558 176.300 0.191 0.000 1.166 594 D CA 0.959 55.122 54.000 0.271 0.000 0.881 594 D CB 1.612 42.633 40.800 0.370 0.000 1.164 594 D HN 0.424 nan 8.370 nan 0.000 0.467 595 T N 0.996 115.632 114.554 0.136 0.000 3.047 595 T HA 0.404 4.762 4.350 0.013 0.000 0.340 595 T C -2.788 171.943 174.700 0.052 0.000 1.421 595 T CA -1.142 61.008 62.100 0.084 0.000 1.090 595 T CB 1.094 70.012 68.868 0.083 0.000 1.292 595 T HN 0.244 nan 8.240 nan 0.000 0.480 596 P HA 0.472 nan 4.420 nan 0.000 0.271 596 P C -0.938 176.342 177.300 -0.035 0.000 1.233 596 P CA -0.230 62.861 63.100 -0.015 0.000 0.789 596 P CB 0.261 31.928 31.700 -0.055 0.000 0.951 597 N N -1.894 116.775 118.700 -0.052 0.000 2.825 597 N HA 0.255 5.003 4.740 0.013 0.000 0.253 597 N C -1.085 174.342 175.510 -0.140 0.000 1.426 597 N CA -0.755 52.233 53.050 -0.103 0.000 0.851 597 N CB 0.759 39.275 38.487 0.049 0.000 1.470 597 N HN 0.087 nan 8.380 nan 0.000 0.517 598 D N -0.225 120.023 120.400 -0.254 0.000 2.525 598 D HA 0.129 4.777 4.640 0.013 0.000 0.229 598 D C 0.489 176.915 176.300 0.210 0.000 1.202 598 D CA -0.065 53.862 54.000 -0.121 0.000 0.828 598 D CB 0.137 40.759 40.800 -0.297 0.000 1.008 598 D HN 0.729 nan 8.370 nan 0.000 0.493 599 R N 0.886 121.542 120.500 0.261 0.000 3.772 599 R HA -0.321 4.027 4.340 0.013 0.000 0.480 599 R C 1.040 177.461 176.300 0.200 0.000 0.241 599 R CA 1.555 57.858 56.100 0.339 0.000 1.508 599 R CB -1.621 28.793 30.300 0.191 0.000 0.956 599 R HN 0.150 nan 8.270 nan 0.000 0.583 600 Q N 1.217 120.843 119.800 -0.290 0.000 2.365 600 Q HA -0.003 4.344 4.340 0.013 0.000 0.203 600 Q C 1.453 177.329 176.000 -0.207 0.000 0.929 600 Q CA 1.038 56.489 55.803 -0.586 0.000 0.948 600 Q CB 0.100 28.255 28.738 -0.972 0.000 1.043 600 Q HN 0.576 nan 8.270 nan 0.000 0.505 601 F N 2.144 122.030 119.950 -0.108 0.000 2.494 601 F HA -0.115 4.419 4.527 0.012 0.000 0.298 601 F C 1.849 177.597 175.800 -0.086 0.000 1.106 601 F CA 0.764 58.765 58.000 0.002 0.000 1.452 601 F CB 0.036 39.097 39.000 0.103 0.000 1.085 601 F HN 0.431 nan 8.300 nan 0.000 0.569 602 C N -1.041 117.946 119.300 -0.521 0.000 2.626 602 C HA 0.294 4.762 4.460 0.013 0.000 0.266 602 C C 0.966 175.693 174.990 -0.439 0.000 1.317 602 C CA -0.546 57.976 59.018 -0.827 0.000 1.716 602 C CB -1.855 24.850 27.740 -1.725 0.000 1.819 602 C HN 0.194 nan 8.230 nan 0.000 0.578 603 M N 2.680 122.090 119.600 -0.316 0.000 2.103 603 M HA 0.275 4.763 4.480 0.013 0.000 0.350 603 M C -0.349 175.799 176.300 -0.253 0.000 1.100 603 M CA 0.382 55.550 55.300 -0.221 0.000 1.042 603 M CB -0.046 32.494 32.600 -0.100 0.000 1.368 603 M HN 0.368 nan 8.290 nan 0.000 0.404 604 N N 1.053 119.569 118.700 -0.306 0.000 2.240 604 N HA 0.189 4.937 4.740 0.013 0.000 0.240 604 N C 0.351 175.590 175.510 -0.452 0.000 1.277 604 N CA -0.547 52.272 53.050 -0.386 0.000 0.873 604 N CB 1.237 39.524 38.487 -0.333 0.000 1.222 604 N HN 0.671 nan 8.380 nan 0.000 0.507 605 G N 0.031 108.543 108.800 -0.481 0.000 2.476 605 G HA2 0.339 4.306 3.960 0.013 0.000 0.286 605 G HA3 0.339 4.306 3.960 0.013 0.000 0.286 605 G C 0.735 175.140 174.900 -0.826 0.000 1.177 605 G CA -0.515 44.197 45.100 -0.646 0.000 0.870 605 G HN 0.102 nan 8.290 nan 0.000 0.528 606 L N 0.005 120.760 121.223 -0.779 0.000 2.313 606 L HA 0.110 4.458 4.340 0.013 0.000 0.214 606 L C 0.906 177.170 176.870 -1.010 0.000 1.119 606 L CA 0.425 54.828 54.840 -0.727 0.000 0.809 606 L CB -0.282 41.484 42.059 -0.489 0.000 0.933 606 L HN 0.403 nan 8.230 nan 0.000 0.449 607 V N -5.076 114.103 119.914 -1.225 0.000 2.914 607 V HA 0.459 4.586 4.120 0.013 0.000 0.314 607 V C -0.219 175.360 176.094 -0.859 0.000 1.084 607 V CA -1.308 60.401 62.300 -0.985 0.000 0.963 607 V CB 1.556 32.868 31.823 -0.851 0.000 1.025 607 V HN -0.134 nan 8.190 nan 0.000 0.432 608 F N 1.612 121.419 119.950 -0.238 0.000 2.485 608 F HA 0.510 5.045 4.527 0.013 0.000 0.327 608 F C 1.979 177.700 175.800 -0.131 0.000 1.203 608 F CA 0.591 58.579 58.000 -0.019 0.000 1.295 608 F CB 0.853 39.879 39.000 0.044 0.000 1.191 608 F HN 0.784 nan 8.300 nan 0.000 0.588 609 A N 0.778 123.687 122.820 0.149 0.000 2.024 609 A HA -0.222 4.106 4.320 0.013 0.000 0.220 609 A C 1.597 179.165 177.584 -0.027 0.000 1.164 609 A CA 1.880 53.956 52.037 0.065 0.000 0.643 609 A CB -0.909 18.172 19.000 0.135 0.000 0.806 609 A HN 0.785 nan 8.150 nan 0.000 0.451 610 D N -2.816 117.582 120.400 -0.002 0.000 2.325 610 D HA 0.154 4.802 4.640 0.013 0.000 0.225 610 D C 0.612 176.897 176.300 -0.026 0.000 1.096 610 D CA -0.109 53.858 54.000 -0.055 0.000 0.844 610 D CB -0.119 40.653 40.800 -0.047 0.000 0.925 610 D HN 0.192 nan 8.370 nan 0.000 0.513 611 R N -1.771 118.712 120.500 -0.028 0.000 3.892 611 R HA -0.124 4.224 4.340 0.013 0.000 0.441 611 R C -0.289 176.006 176.300 -0.010 0.000 1.052 611 R CA 1.111 57.182 56.100 -0.047 0.000 1.190 611 R CB -3.202 27.106 30.300 0.013 0.000 1.808 611 R HN 0.241 nan 8.270 nan 0.000 0.538 612 T N 2.487 117.085 114.554 0.072 0.000 2.870 612 T HA 0.328 4.685 4.350 0.013 0.000 0.300 612 T C -2.291 172.517 174.700 0.181 0.000 0.989 612 T CA -0.765 61.412 62.100 0.128 0.000 1.139 612 T CB 1.013 69.973 68.868 0.153 0.000 0.920 612 T HN -0.097 nan 8.240 nan 0.000 0.537 613 P HA 0.168 nan 4.420 nan 0.000 0.275 613 P C -0.060 177.288 177.300 0.079 0.000 1.228 613 P CA -0.211 62.885 63.100 -0.006 0.000 0.786 613 P CB 0.423 32.117 31.700 -0.009 0.000 0.927 614 H N 2.828 121.707 119.070 -0.319 0.000 2.508 614 H HA 0.118 4.682 4.556 0.013 0.000 0.358 614 H C -1.302 173.914 175.328 -0.187 0.000 1.212 614 H CA -1.926 53.898 56.048 -0.373 0.000 1.356 614 H CB 0.464 29.956 29.762 -0.451 0.000 1.525 614 H HN 0.330 nan 8.280 nan 0.000 0.578 615 P HA -0.134 nan 4.420 nan 0.000 0.218 615 P C 1.135 178.430 177.300 -0.007 0.000 1.149 615 P CA 1.305 64.388 63.100 -0.029 0.000 0.817 615 P CB 0.046 31.727 31.700 -0.031 0.000 0.785 616 A N -0.490 122.329 122.820 -0.003 0.000 2.076 616 A HA -0.180 4.148 4.320 0.013 0.000 0.220 616 A C 2.055 179.590 177.584 -0.083 0.000 1.160 616 A CA 1.166 53.169 52.037 -0.056 0.000 0.653 616 A CB -1.587 17.352 19.000 -0.101 0.000 0.801 616 A HN 0.155 nan 8.150 nan 0.000 0.455 617 L N -0.430 120.758 121.223 -0.058 0.000 2.042 617 L HA -0.144 4.204 4.340 0.013 0.000 0.210 617 L C 2.553 179.460 176.870 0.062 0.000 1.076 617 L CA 2.781 57.618 54.840 -0.006 0.000 0.749 617 L CB -1.061 40.989 42.059 -0.014 0.000 0.893 617 L HN 0.399 nan 8.230 nan 0.000 0.432 618 T N -1.744 112.855 114.554 0.075 0.000 2.833 618 T HA -0.214 4.144 4.350 0.013 0.000 0.269 618 T C 1.823 176.637 174.700 0.191 0.000 1.054 618 T CA 1.510 63.714 62.100 0.173 0.000 1.135 618 T CB -0.160 68.787 68.868 0.132 0.000 0.869 618 T HN 0.478 nan 8.240 nan 0.000 0.466 619 E N 0.670 120.923 120.200 0.088 0.000 2.077 619 E HA 0.067 4.425 4.350 0.013 0.000 0.193 619 E C 2.164 178.779 176.600 0.027 0.000 0.989 619 E CA 1.355 57.810 56.400 0.091 0.000 0.800 619 E CB -0.608 29.116 29.700 0.040 0.000 0.746 619 E HN 0.561 nan 8.360 nan 0.000 0.452 620 A N 0.693 123.423 122.820 -0.150 0.000 1.929 620 A HA -0.156 4.172 4.320 0.013 0.000 0.216 620 A C 2.118 179.591 177.584 -0.185 0.000 1.176 620 A CA 1.638 53.527 52.037 -0.245 0.000 0.628 620 A CB -0.508 18.308 19.000 -0.306 0.000 0.816 620 A HN 0.227 nan 8.150 nan 0.000 0.444 621 K N -1.019 119.348 120.400 -0.054 0.000 2.032 621 K HA -0.284 4.043 4.320 0.013 0.000 0.209 621 K C 2.059 178.557 176.600 -0.170 0.000 1.048 621 K CA 2.002 58.269 56.287 -0.034 0.000 0.927 621 K CB -0.347 32.287 32.500 0.222 0.000 0.712 621 K HN 0.638 nan 8.250 nan 0.000 0.441 622 H N 0.376 119.277 119.070 -0.282 0.000 2.293 622 H HA -0.039 4.525 4.556 0.013 0.000 0.300 622 H C 1.988 177.049 175.328 -0.445 0.000 1.082 622 H CA 1.874 57.574 56.048 -0.581 0.000 1.308 622 H CB 0.036 29.485 29.762 -0.522 0.000 1.375 622 H HN 0.223 nan 8.280 nan 0.000 0.495 623 Q N 0.265 119.823 119.800 -0.403 0.000 2.224 623 Q HA -0.097 4.251 4.340 0.013 0.000 0.203 623 Q C 1.594 177.061 176.000 -0.887 0.000 0.970 623 Q CA 1.177 56.657 55.803 -0.538 0.000 0.865 623 Q CB -0.001 28.579 28.738 -0.263 0.000 0.922 623 Q HN 0.716 nan 8.270 nan 0.000 0.445 624 Q N 0.273 119.509 119.800 -0.940 0.000 2.322 624 Q HA 0.059 4.407 4.340 0.013 0.000 0.203 624 Q C -0.069 175.404 176.000 -0.879 0.000 0.923 624 Q CA -0.196 54.909 55.803 -1.162 0.000 0.949 624 Q CB 0.242 28.338 28.738 -1.069 0.000 1.039 624 Q HN 0.385 nan 8.270 nan 0.000 0.496 625 Q N -0.539 118.881 119.800 -0.633 0.000 2.479 625 Q HA -0.038 4.310 4.340 0.013 0.000 0.267 625 Q C -0.121 175.542 176.000 -0.561 0.000 1.071 625 Q CA 0.455 56.018 55.803 -0.400 0.000 0.935 625 Q CB 0.447 29.031 28.738 -0.256 0.000 1.295 625 Q HN 0.298 nan 8.270 nan 0.000 0.476 626 F N 0.067 119.796 119.950 -0.369 0.000 2.695 626 F HA 0.253 4.787 4.527 0.012 0.000 0.303 626 F C -0.289 174.906 175.800 -1.008 0.000 1.091 626 F CA -0.053 57.480 58.000 -0.778 0.000 1.300 626 F CB 0.616 38.881 39.000 -1.225 0.000 1.071 626 F HN 0.294 nan 8.300 nan 0.000 0.578 627 F N 0.460 120.312 119.950 -0.163 0.000 2.529 627 F HA 0.469 5.004 4.527 0.014 0.000 0.320 627 F C -0.167 175.258 175.800 -0.625 0.000 1.118 627 F CA -1.078 56.711 58.000 -0.351 0.000 0.915 627 F CB 1.350 40.138 39.000 -0.354 0.000 1.161 627 F HN -0.316 nan 8.300 nan 0.000 0.445 628 Q N 3.132 122.667 119.800 -0.442 0.000 2.266 628 Q HA 0.584 4.931 4.340 0.013 0.000 0.261 628 Q C -1.319 174.433 176.000 -0.414 0.000 0.985 628 Q CA -0.628 54.975 55.803 -0.332 0.000 0.873 628 Q CB 2.826 31.488 28.738 -0.127 0.000 1.306 628 Q HN 0.548 nan 8.270 nan 0.000 0.447 629 F N 0.129 120.207 119.950 0.213 0.000 2.563 629 F HA 0.595 5.130 4.527 0.013 0.000 0.316 629 F C 0.315 176.353 175.800 0.395 0.000 1.076 629 F CA -0.864 57.339 58.000 0.338 0.000 0.921 629 F CB 2.087 41.412 39.000 0.542 0.000 1.209 629 F HN 0.148 nan 8.300 nan 0.000 0.462 630 R N 1.534 122.328 120.500 0.491 0.000 2.744 630 R HA 0.714 5.061 4.340 0.013 0.000 0.279 630 R C -1.965 174.391 176.300 0.094 0.000 0.977 630 R CA -1.205 55.102 56.100 0.346 0.000 0.906 630 R CB 2.871 33.282 30.300 0.186 0.000 1.197 630 R HN 0.562 nan 8.270 nan 0.000 0.463 631 L N 0.596 121.749 121.223 -0.115 0.000 2.341 631 L HA 0.532 4.879 4.340 0.013 0.000 0.278 631 L C -0.982 175.738 176.870 -0.250 0.000 1.005 631 L CA 0.131 54.675 54.840 -0.494 0.000 0.818 631 L CB 2.183 43.501 42.059 -1.236 0.000 1.259 631 L HN 0.503 nan 8.230 nan 0.000 0.418 632 S N 3.541 119.116 115.700 -0.207 0.000 2.620 632 S HA 0.652 5.130 4.470 0.013 0.000 0.244 632 S C 0.338 174.854 174.600 -0.140 0.000 1.192 632 S CA 0.157 58.279 58.200 -0.130 0.000 1.148 632 S CB 0.328 63.486 63.200 -0.070 0.000 1.106 632 S HN 1.393 nan 8.310 nan 0.000 0.474 633 G N 4.388 113.102 108.800 -0.144 0.000 2.675 633 G HA2 -0.359 3.609 3.960 0.013 0.000 0.312 633 G HA3 -0.359 3.609 3.960 0.013 0.000 0.312 633 G C 0.327 175.123 174.900 -0.174 0.000 1.186 633 G CA 0.942 45.961 45.100 -0.134 0.000 0.965 633 G HN 0.753 nan 8.290 nan 0.000 0.548 634 Q N 0.350 120.052 119.800 -0.163 0.000 2.219 634 Q HA 0.449 4.797 4.340 0.013 0.000 0.209 634 Q C 0.485 176.354 176.000 -0.219 0.000 0.854 634 Q CA 0.819 56.501 55.803 -0.203 0.000 0.960 634 Q CB 0.444 29.053 28.738 -0.215 0.000 1.116 634 Q HN 0.460 nan 8.270 nan 0.000 0.500 635 T N 1.605 116.048 114.554 -0.184 0.000 2.733 635 T HA 0.507 4.864 4.350 0.013 0.000 0.294 635 T C -0.219 174.374 174.700 -0.179 0.000 0.956 635 T CA -0.408 61.599 62.100 -0.154 0.000 0.987 635 T CB 0.557 69.365 68.868 -0.101 0.000 0.920 635 T HN 0.165 nan 8.240 nan 0.000 0.470 636 I N 3.124 123.599 120.570 -0.159 0.000 2.331 636 I HA 0.289 4.467 4.170 0.013 0.000 0.292 636 I C 0.595 176.721 176.117 0.015 0.000 0.998 636 I CA -0.488 60.744 61.300 -0.114 0.000 1.267 636 I CB 1.120 39.071 38.000 -0.082 0.000 1.386 636 I HN 0.563 nan 8.210 nan 0.000 0.476 637 E N 6.747 126.990 120.200 0.071 0.000 2.113 637 E HA 0.424 4.782 4.350 0.013 0.000 0.273 637 E C -1.516 175.188 176.600 0.174 0.000 0.924 637 E CA -0.628 55.830 56.400 0.096 0.000 0.764 637 E CB 1.568 31.311 29.700 0.070 0.000 1.104 637 E HN 0.355 nan 8.360 nan 0.000 0.406 638 V N 4.251 124.252 119.914 0.145 0.000 2.394 638 V HA 0.310 4.437 4.120 0.013 0.000 0.282 638 V C 0.015 176.135 176.094 0.043 0.000 1.031 638 V CA -0.490 61.868 62.300 0.096 0.000 0.881 638 V CB 1.595 33.499 31.823 0.134 0.000 0.982 638 V HN 0.705 nan 8.190 nan 0.000 0.451 639 T N 3.408 117.946 114.554 -0.027 0.000 2.807 639 T HA 0.339 4.697 4.350 0.013 0.000 0.279 639 T C -0.028 174.663 174.700 -0.015 0.000 0.993 639 T CA -0.252 61.845 62.100 -0.005 0.000 0.970 639 T CB 1.561 70.410 68.868 -0.031 0.000 0.950 639 T HN 0.693 nan 8.240 nan 0.000 0.441 640 S N 1.837 117.540 115.700 0.005 0.000 2.537 640 S HA 0.214 4.692 4.470 0.013 0.000 0.275 640 S C 0.800 175.261 174.600 -0.232 0.000 1.272 640 S CA -0.523 57.590 58.200 -0.145 0.000 1.050 640 S CB 0.592 63.798 63.200 0.010 0.000 0.961 640 S HN 0.725 nan 8.310 nan 0.000 0.496 641 E N 2.860 122.811 120.200 -0.415 0.000 2.481 641 E HA 0.094 4.452 4.350 0.013 0.000 0.198 641 E C -0.692 175.721 176.600 -0.312 0.000 1.027 641 E CA -0.114 56.090 56.400 -0.326 0.000 0.900 641 E CB 0.264 29.754 29.700 -0.349 0.000 0.993 641 E HN 0.703 nan 8.360 nan 0.000 0.482 642 Y N 0.541 120.718 120.300 -0.205 0.000 2.480 642 Y HA -0.040 4.518 4.550 0.013 0.000 0.338 642 Y C 1.449 177.201 175.900 -0.247 0.000 1.220 642 Y CA 0.128 58.123 58.100 -0.176 0.000 1.430 642 Y CB 0.722 39.066 38.460 -0.193 0.000 1.311 642 Y HN -0.023 nan 8.280 nan 0.000 0.575 643 L N 1.407 122.493 121.223 -0.229 0.000 2.408 643 L HA 0.048 4.395 4.340 0.013 0.000 0.215 643 L C 0.650 177.115 176.870 -0.675 0.000 1.081 643 L CA 0.677 55.134 54.840 -0.639 0.000 0.840 643 L CB 0.037 41.271 42.059 -1.375 0.000 1.002 643 L HN 0.658 nan 8.230 nan 0.000 0.468 644 F N -0.524 119.457 119.950 0.050 0.000 2.789 644 F HA 0.215 4.750 4.527 0.012 0.000 0.320 644 F C 1.165 176.958 175.800 -0.013 0.000 1.079 644 F CA -0.760 57.238 58.000 -0.002 0.000 1.205 644 F CB 0.452 39.427 39.000 -0.042 0.000 1.046 644 F HN -0.112 nan 8.300 nan 0.000 0.586 645 R N -0.263 120.293 120.500 0.093 0.000 2.720 645 R HA 0.519 4.867 4.340 0.013 0.000 0.272 645 R C -1.124 175.197 176.300 0.034 0.000 0.991 645 R CA -0.724 55.378 56.100 0.004 0.000 1.010 645 R CB 1.086 31.276 30.300 -0.182 0.000 1.141 645 R HN 0.024 nan 8.270 nan 0.000 0.494 646 H N 0.234 119.294 119.070 -0.016 0.000 2.509 646 H HA 0.147 4.711 4.556 0.013 0.000 0.359 646 H C -0.034 175.314 175.328 0.034 0.000 1.253 646 H CA 0.056 56.125 56.048 0.035 0.000 1.373 646 H CB 1.313 31.098 29.762 0.038 0.000 1.555 646 H HN 0.738 nan 8.280 nan 0.000 0.586 647 S N 1.369 117.002 115.700 -0.113 0.000 4.069 647 S HA -0.012 4.466 4.470 0.013 0.000 0.192 647 S C -0.009 174.663 174.600 0.120 0.000 1.441 647 S CA -0.220 58.025 58.200 0.075 0.000 0.994 647 S CB -0.859 62.395 63.200 0.091 0.000 1.456 647 S HN 0.691 nan 8.310 nan 0.000 0.458 648 D N 0.486 120.974 120.400 0.147 0.000 2.324 648 D HA 0.031 4.679 4.640 0.013 0.000 0.235 648 D C 0.334 176.684 176.300 0.083 0.000 1.095 648 D CA -0.147 53.939 54.000 0.143 0.000 0.871 648 D CB -0.331 40.543 40.800 0.123 0.000 0.906 648 D HN 0.468 nan 8.370 nan 0.000 0.522 649 N N 0.062 118.809 118.700 0.078 0.000 2.639 649 N HA 0.161 4.908 4.740 0.013 0.000 0.265 649 N C -1.623 173.937 175.510 0.083 0.000 1.689 649 N CA -0.204 52.884 53.050 0.063 0.000 0.813 649 N CB 0.264 38.778 38.487 0.045 0.000 1.353 649 N HN -0.027 nan 8.380 nan 0.000 0.510 650 E N -0.116 120.125 120.200 0.069 0.000 2.354 650 E HA 0.486 4.844 4.350 0.013 0.000 0.283 650 E C -1.510 175.109 176.600 0.032 0.000 0.938 650 E CA -0.705 55.725 56.400 0.051 0.000 0.777 650 E CB 1.925 31.626 29.700 0.001 0.000 1.222 650 E HN 0.289 nan 8.360 nan 0.000 0.423 651 L N 0.107 121.358 121.223 0.046 0.000 2.354 651 L HA 0.774 5.121 4.340 0.013 0.000 0.264 651 L C -1.497 175.420 176.870 0.077 0.000 1.008 651 L CA -1.059 53.812 54.840 0.052 0.000 0.819 651 L CB 1.090 43.180 42.059 0.052 0.000 1.339 651 L HN 0.494 nan 8.230 nan 0.000 0.420 652 L N 2.144 123.422 121.223 0.092 0.000 2.287 652 L HA 0.527 4.875 4.340 0.013 0.000 0.287 652 L C -0.784 176.186 176.870 0.167 0.000 1.022 652 L CA 0.061 54.994 54.840 0.155 0.000 0.814 652 L CB 0.554 42.725 42.059 0.186 0.000 1.217 652 L HN 0.680 nan 8.230 nan 0.000 0.420 653 H N 5.896 125.036 119.070 0.116 0.000 2.459 653 H HA 0.380 4.944 4.556 0.013 0.000 0.332 653 H C -1.466 173.936 175.328 0.123 0.000 1.094 653 H CA -0.346 55.727 56.048 0.043 0.000 1.224 653 H CB 1.005 30.764 29.762 -0.006 0.000 1.449 653 H HN 0.734 nan 8.280 nan 0.000 0.484 654 W N 5.283 126.678 121.300 0.159 0.000 2.844 654 W HA 0.534 5.202 4.660 0.013 0.000 0.340 654 W C -1.686 174.925 176.519 0.154 0.000 1.093 654 W CA -1.387 56.043 57.345 0.142 0.000 1.212 654 W CB 1.289 30.796 29.460 0.079 0.000 1.422 654 W HN 0.565 nan 8.180 nan 0.000 0.515 655 M N 3.224 123.076 119.600 0.421 0.000 2.365 655 M HA 0.644 5.132 4.480 0.013 0.000 0.287 655 M C -2.562 173.963 176.300 0.375 0.000 1.154 655 M CA -0.413 55.013 55.300 0.210 0.000 0.941 655 M CB 2.255 34.890 32.600 0.058 0.000 1.704 655 M HN 0.151 nan 8.290 nan 0.000 0.479 656 V N 3.176 123.301 119.914 0.352 0.000 2.604 656 V HA 1.035 5.162 4.120 0.013 0.000 0.305 656 V C -0.403 175.809 176.094 0.198 0.000 1.043 656 V CA -0.174 62.310 62.300 0.307 0.000 0.888 656 V CB 1.465 33.481 31.823 0.322 0.000 0.995 656 V HN 1.110 nan 8.190 nan 0.000 0.429 657 A N 3.858 126.794 122.820 0.194 0.000 2.539 657 A HA 0.881 5.209 4.320 0.013 0.000 0.296 657 A C -1.564 176.127 177.584 0.178 0.000 1.073 657 A CA -0.620 51.498 52.037 0.135 0.000 0.700 657 A CB 1.764 20.808 19.000 0.073 0.000 1.296 657 A HN 0.878 nan 8.150 nan 0.000 0.405 658 L N 1.432 122.734 121.223 0.131 0.000 2.262 658 L HA 0.532 4.880 4.340 0.013 0.000 0.288 658 L C -0.632 176.332 176.870 0.155 0.000 1.035 658 L CA 0.251 55.178 54.840 0.145 0.000 0.820 658 L CB 0.141 42.257 42.059 0.094 0.000 1.204 658 L HN 0.733 nan 8.230 nan 0.000 0.424 659 D N 4.823 125.380 120.400 0.261 0.000 2.704 659 D HA -0.201 4.447 4.640 0.013 0.000 0.232 659 D C 1.210 177.567 176.300 0.094 0.000 1.183 659 D CA 1.512 55.672 54.000 0.267 0.000 0.647 659 D CB -1.079 39.840 40.800 0.198 0.000 1.013 659 D HN 1.172 nan 8.370 nan 0.000 0.415 660 G N -0.566 108.249 108.800 0.026 0.000 2.234 660 G HA2 -0.379 3.589 3.960 0.013 0.000 0.260 660 G HA3 -0.379 3.589 3.960 0.013 0.000 0.260 660 G C 0.197 175.030 174.900 -0.111 0.000 0.987 660 G CA 0.597 45.605 45.100 -0.154 0.000 0.625 660 G HN 0.536 nan 8.290 nan 0.000 0.532 661 K N 1.962 122.344 120.400 -0.031 0.000 2.267 661 K HA 0.493 4.821 4.320 0.013 0.000 0.282 661 K C -2.721 173.876 176.600 -0.006 0.000 1.078 661 K CA -1.984 54.286 56.287 -0.029 0.000 0.903 661 K CB 1.712 34.209 32.500 -0.006 0.000 1.111 661 K HN 0.069 nan 8.250 nan 0.000 0.475 662 P HA -0.029 nan 4.420 nan 0.000 0.265 662 P C 0.007 177.317 177.300 0.016 0.000 1.193 662 P CA 0.081 63.175 63.100 -0.010 0.000 0.765 662 P CB 0.727 32.402 31.700 -0.042 0.000 0.823 663 L N 1.046 122.298 121.223 0.048 0.000 2.694 663 L HA 0.467 4.815 4.340 0.013 0.000 0.228 663 L C 0.808 177.725 176.870 0.077 0.000 1.048 663 L CA 0.395 55.273 54.840 0.064 0.000 0.887 663 L CB 0.365 42.478 42.059 0.091 0.000 1.265 663 L HN 0.424 nan 8.230 nan 0.000 0.492 664 A N -0.362 122.520 122.820 0.104 0.000 2.601 664 A HA 0.678 5.005 4.320 0.013 0.000 0.291 664 A C -1.066 176.476 177.584 -0.070 0.000 1.075 664 A CA 0.116 52.217 52.037 0.108 0.000 0.671 664 A CB 1.655 20.832 19.000 0.294 0.000 1.277 664 A HN 0.102 nan 8.150 nan 0.000 0.417 665 S N -0.956 114.441 115.700 -0.504 0.000 2.611 665 S HA 0.908 5.386 4.470 0.013 0.000 0.270 665 S C -0.299 173.440 174.600 -1.436 0.000 1.131 665 S CA -0.016 57.357 58.200 -1.378 0.000 0.826 665 S CB 0.787 63.623 63.200 -0.605 0.000 1.095 665 S HN 2.659 nan 8.310 nan 0.000 0.461 666 G N -0.027 107.600 108.800 -1.953 0.000 2.554 666 G HA2 0.671 4.639 3.960 0.013 0.000 0.306 666 G HA3 0.671 4.639 3.960 0.013 0.000 0.306 666 G C -2.376 171.973 174.900 -0.918 0.000 1.320 666 G CA -0.846 43.658 45.100 -0.994 0.000 0.800 666 G HN 0.886 nan 8.290 nan 0.000 0.481 667 E N -1.355 118.602 120.200 -0.405 0.000 2.340 667 E HA 0.652 5.009 4.350 0.013 0.000 0.273 667 E C -1.569 175.028 176.600 -0.005 0.000 0.891 667 E CA -0.945 55.282 56.400 -0.288 0.000 0.757 667 E CB 3.275 32.744 29.700 -0.386 0.000 1.231 667 E HN 0.345 nan 8.360 nan 0.000 0.439 668 V N 2.162 122.114 119.914 0.063 0.000 2.733 668 V HA 0.400 4.528 4.120 0.013 0.000 0.306 668 V C -2.414 173.719 176.094 0.064 0.000 1.084 668 V CA -1.986 60.366 62.300 0.087 0.000 0.905 668 V CB 2.226 34.129 31.823 0.132 0.000 1.010 668 V HN 0.618 nan 8.190 nan 0.000 0.424 669 P HA 0.212 nan 4.420 nan 0.000 0.269 669 P C -0.894 176.438 177.300 0.053 0.000 1.209 669 P CA -0.046 63.084 63.100 0.050 0.000 0.776 669 P CB 0.928 32.659 31.700 0.050 0.000 0.876 670 L N 2.664 123.910 121.223 0.039 0.000 2.282 670 L HA 0.329 4.677 4.340 0.013 0.000 0.288 670 L C 0.146 177.035 176.870 0.033 0.000 1.033 670 L CA -0.005 54.845 54.840 0.017 0.000 0.807 670 L CB 1.135 43.155 42.059 -0.065 0.000 1.209 670 L HN 0.384 nan 8.230 nan 0.000 0.423 671 D N 2.998 123.422 120.400 0.040 0.000 2.468 671 D HA 0.340 4.988 4.640 0.013 0.000 0.272 671 D C -1.215 175.044 176.300 -0.068 0.000 1.221 671 D CA -0.197 53.852 54.000 0.082 0.000 0.860 671 D CB 0.905 41.828 40.800 0.205 0.000 1.190 671 D HN 0.095 nan 8.370 nan 0.000 0.509 672 V N 0.651 120.385 119.914 -0.301 0.000 2.555 672 V HA 0.888 5.016 4.120 0.013 0.000 0.302 672 V C 0.816 176.664 176.094 -0.409 0.000 1.038 672 V CA -1.264 60.926 62.300 -0.184 0.000 0.887 672 V CB 1.329 33.172 31.823 0.033 0.000 0.991 672 V HN 0.413 nan 8.190 nan 0.000 0.434 673 A N 5.530 128.288 122.820 -0.103 0.000 2.296 673 A HA 0.726 5.054 4.320 0.013 0.000 0.264 673 A C -2.311 175.301 177.584 0.048 0.000 1.097 673 A CA -1.465 50.618 52.037 0.078 0.000 0.811 673 A CB -0.293 18.816 19.000 0.180 0.000 1.072 673 A HN 0.730 nan 8.150 nan 0.000 0.495 674 P HA 0.061 nan 4.420 nan 0.000 0.268 674 P C -0.454 176.850 177.300 0.007 0.000 1.204 674 P CA 0.450 63.576 63.100 0.043 0.000 0.768 674 P CB 0.595 32.311 31.700 0.026 0.000 0.842 675 Q N -1.174 118.609 119.800 -0.028 0.000 2.348 675 Q HA -0.183 4.165 4.340 0.013 0.000 0.221 675 Q C 0.781 176.774 176.000 -0.011 0.000 0.735 675 Q CA 1.780 57.559 55.803 -0.041 0.000 1.351 675 Q CB -2.488 26.221 28.738 -0.048 0.000 1.640 675 Q HN 0.762 nan 8.270 nan 0.000 0.667 676 G N 0.292 109.100 108.800 0.014 0.000 2.557 676 G HA2 0.518 4.486 3.960 0.013 0.000 0.292 676 G HA3 0.518 4.486 3.960 0.013 0.000 0.292 676 G C -0.197 174.722 174.900 0.032 0.000 1.237 676 G CA -0.539 44.578 45.100 0.029 0.000 0.978 676 G HN 0.006 nan 8.290 nan 0.000 0.498 677 K N -0.579 119.844 120.400 0.038 0.000 2.435 677 K HA 0.474 4.802 4.320 0.013 0.000 0.251 677 K C -1.002 175.628 176.600 0.050 0.000 0.954 677 K CA -0.662 55.651 56.287 0.043 0.000 0.820 677 K CB 2.676 35.197 32.500 0.034 0.000 1.292 677 K HN 0.547 nan 8.250 nan 0.000 0.436 678 Q N 2.482 122.317 119.800 0.057 0.000 2.331 678 Q HA 0.422 4.769 4.340 0.013 0.000 0.272 678 Q C -1.653 174.379 176.000 0.054 0.000 1.062 678 Q CA -0.668 55.169 55.803 0.056 0.000 0.806 678 Q CB 1.578 30.353 28.738 0.062 0.000 1.312 678 Q HN 0.534 nan 8.270 nan 0.000 0.431 679 L N 4.521 125.768 121.223 0.039 0.000 2.322 679 L HA 0.617 4.965 4.340 0.013 0.000 0.279 679 L C -0.492 176.387 176.870 0.016 0.000 1.036 679 L CA -0.795 54.059 54.840 0.024 0.000 0.807 679 L CB 1.451 43.515 42.059 0.008 0.000 1.226 679 L HN 0.600 nan 8.230 nan 0.000 0.433 680 I N 2.175 122.744 120.570 -0.002 0.000 2.478 680 I HA 0.236 4.414 4.170 0.013 0.000 0.287 680 I C -0.799 175.273 176.117 -0.075 0.000 1.042 680 I CA -0.531 60.758 61.300 -0.018 0.000 1.067 680 I CB 2.381 40.386 38.000 0.009 0.000 1.233 680 I HN 0.555 nan 8.210 nan 0.000 0.431 681 E N 6.266 126.419 120.200 -0.078 0.000 2.146 681 E HA 0.462 4.820 4.350 0.013 0.000 0.282 681 E C -0.674 175.823 176.600 -0.173 0.000 0.989 681 E CA -0.378 55.950 56.400 -0.120 0.000 0.799 681 E CB 1.359 31.007 29.700 -0.086 0.000 1.088 681 E HN 0.398 nan 8.360 nan 0.000 0.397 682 L N 4.423 125.476 121.223 -0.284 0.000 2.466 682 L HA 0.329 4.677 4.340 0.013 0.000 0.257 682 L C -1.688 175.006 176.870 -0.293 0.000 1.189 682 L CA -1.912 52.660 54.840 -0.447 0.000 0.813 682 L CB 0.057 41.702 42.059 -0.689 0.000 1.118 682 L HN 0.348 nan 8.230 nan 0.000 0.471 683 P HA -0.054 nan 4.420 nan 0.000 0.272 683 P C -0.592 176.643 177.300 -0.108 0.000 1.248 683 P CA -0.306 62.731 63.100 -0.104 0.000 0.799 683 P CB 0.289 32.004 31.700 0.026 0.000 0.997 684 E N 1.064 121.237 120.200 -0.044 0.000 2.366 684 E HA 0.054 4.412 4.350 0.013 0.000 0.266 684 E C -0.803 175.785 176.600 -0.020 0.000 1.015 684 E CA -0.014 56.365 56.400 -0.036 0.000 0.906 684 E CB 0.004 29.697 29.700 -0.013 0.000 0.979 684 E HN 0.262 nan 8.360 nan 0.000 0.443 685 L N 5.798 127.000 121.223 -0.035 0.000 2.416 685 L HA 0.389 4.737 4.340 0.013 0.000 0.262 685 L C -1.916 174.965 176.870 0.018 0.000 1.093 685 L CA -2.332 52.505 54.840 -0.006 0.000 0.801 685 L CB 0.993 43.032 42.059 -0.033 0.000 1.191 685 L HN 0.544 nan 8.230 nan 0.000 0.459 686 P HA 0.091 nan 4.420 nan 0.000 0.268 686 P C -1.358 175.959 177.300 0.027 0.000 1.204 686 P CA -0.280 62.845 63.100 0.042 0.000 0.768 686 P CB 0.622 32.358 31.700 0.061 0.000 0.842 687 Q N 3.370 123.182 119.800 0.020 0.000 2.401 687 Q HA 0.417 4.764 4.340 0.013 0.000 0.260 687 Q C -2.304 173.706 176.000 0.017 0.000 1.034 687 Q CA -1.309 54.502 55.803 0.013 0.000 0.737 687 Q CB 1.233 29.973 28.738 0.004 0.000 1.227 687 Q HN 0.358 nan 8.270 nan 0.000 0.488 688 P HA 0.285 nan 4.420 nan 0.000 0.301 688 P C -0.290 177.021 177.300 0.019 0.000 1.337 688 P CA -0.592 62.522 63.100 0.023 0.000 0.889 688 P CB 1.739 33.458 31.700 0.031 0.000 1.050 689 E N 0.066 120.277 120.200 0.017 0.000 2.285 689 E HA -0.028 4.329 4.350 0.013 0.000 0.194 689 E C 0.742 177.353 176.600 0.019 0.000 0.997 689 E CA 0.373 56.782 56.400 0.016 0.000 0.845 689 E CB -0.332 29.376 29.700 0.013 0.000 0.782 689 E HN 0.389 nan 8.360 nan 0.000 0.491 690 S N 0.911 116.625 115.700 0.023 0.000 2.558 690 S HA 0.186 4.664 4.470 0.013 0.000 0.293 690 S C 0.280 174.899 174.600 0.032 0.000 1.292 690 S CA -0.030 58.187 58.200 0.028 0.000 1.063 690 S CB 0.320 63.539 63.200 0.030 0.000 0.831 690 S HN 0.288 nan 8.310 nan 0.000 0.499 691 A N 3.810 126.651 122.820 0.035 0.000 2.466 691 A HA 0.650 4.978 4.320 0.013 0.000 0.238 691 A C 0.981 178.595 177.584 0.050 0.000 1.074 691 A CA 0.363 52.424 52.037 0.039 0.000 0.774 691 A CB -0.553 18.473 19.000 0.043 0.000 1.015 691 A HN 1.963 nan 8.150 nan 0.000 0.498 692 G N -0.552 108.278 108.800 0.050 0.000 2.351 692 G HA2 0.456 4.424 3.960 0.013 0.000 0.353 692 G HA3 0.456 4.424 3.960 0.013 0.000 0.353 692 G C -1.136 173.792 174.900 0.046 0.000 1.358 692 G CA -0.165 44.978 45.100 0.071 0.000 0.995 692 G HN 1.209 nan 8.290 nan 0.000 0.611 693 Q N -0.327 119.513 119.800 0.066 0.000 2.293 693 Q HA 0.742 5.090 4.340 0.013 0.000 0.261 693 Q C -0.429 175.597 176.000 0.044 0.000 0.960 693 Q CA -0.625 55.162 55.803 -0.026 0.000 0.882 693 Q CB 1.368 30.027 28.738 -0.130 0.000 1.275 693 Q HN 0.595 nan 8.270 nan 0.000 0.445 694 L N 4.160 125.364 121.223 -0.032 0.000 2.326 694 L HA 0.493 4.841 4.340 0.013 0.000 0.278 694 L C -0.834 176.052 176.870 0.026 0.000 1.092 694 L CA -0.358 54.519 54.840 0.062 0.000 0.810 694 L CB 0.740 42.818 42.059 0.031 0.000 1.153 694 L HN 0.694 nan 8.230 nan 0.000 0.439 695 W N 4.039 125.380 121.300 0.068 0.000 2.883 695 W HA 0.504 5.172 4.660 0.013 0.000 0.335 695 W C -0.892 175.722 176.519 0.157 0.000 1.083 695 W CA -0.523 56.882 57.345 0.101 0.000 1.233 695 W CB 1.801 31.328 29.460 0.110 0.000 1.412 695 W HN 0.129 nan 8.180 nan 0.000 0.490 696 L N 3.302 124.808 121.223 0.471 0.000 2.295 696 L HA 0.775 5.122 4.340 0.013 0.000 0.285 696 L C -0.340 176.830 176.870 0.500 0.000 1.035 696 L CA 0.276 55.376 54.840 0.433 0.000 0.806 696 L CB 1.358 43.635 42.059 0.362 0.000 1.214 696 L HN 0.309 nan 8.230 nan 0.000 0.426 697 T N 5.117 119.913 114.554 0.403 0.000 2.824 697 T HA 0.654 5.012 4.350 0.013 0.000 0.282 697 T C -0.762 174.130 174.700 0.321 0.000 0.993 697 T CA -0.409 61.885 62.100 0.322 0.000 0.967 697 T CB 1.508 70.494 68.868 0.196 0.000 0.960 697 T HN 0.614 nan 8.240 nan 0.000 0.441 698 V N 1.807 121.884 119.914 0.272 0.000 2.769 698 V HA 0.886 5.014 4.120 0.013 0.000 0.312 698 V C -0.789 175.393 176.094 0.146 0.000 1.061 698 V CA -1.186 61.248 62.300 0.223 0.000 0.931 698 V CB 1.954 33.873 31.823 0.159 0.000 1.010 698 V HN 0.812 nan 8.190 nan 0.000 0.433 699 R N 1.932 122.544 120.500 0.188 0.000 2.698 699 R HA 0.778 5.125 4.340 0.013 0.000 0.275 699 R C -1.600 174.840 176.300 0.233 0.000 1.001 699 R CA -0.690 55.544 56.100 0.224 0.000 0.896 699 R CB 2.661 33.055 30.300 0.157 0.000 1.218 699 R HN 0.683 nan 8.270 nan 0.000 0.462 700 V N 3.152 123.230 119.914 0.273 0.000 2.407 700 V HA 0.409 4.537 4.120 0.013 0.000 0.278 700 V C -0.439 175.765 176.094 0.184 0.000 1.037 700 V CA -0.559 61.862 62.300 0.202 0.000 0.900 700 V CB 1.668 33.593 31.823 0.169 0.000 0.983 700 V HN 0.434 nan 8.190 nan 0.000 0.459 701 V N 5.229 125.230 119.914 0.146 0.000 2.540 701 V HA 0.400 4.527 4.120 0.013 0.000 0.302 701 V C -0.247 175.923 176.094 0.125 0.000 1.035 701 V CA -0.752 61.625 62.300 0.129 0.000 0.873 701 V CB 1.940 33.839 31.823 0.126 0.000 0.992 701 V HN 0.876 nan 8.190 nan 0.000 0.428 702 Q N 5.780 125.665 119.800 0.141 0.000 2.390 702 Q HA 0.258 4.606 4.340 0.013 0.000 0.249 702 Q C -1.714 174.326 176.000 0.067 0.000 0.996 702 Q CA -1.775 54.097 55.803 0.115 0.000 0.899 702 Q CB 1.888 30.709 28.738 0.138 0.000 1.216 702 Q HN 0.483 nan 8.270 nan 0.000 0.465 703 P HA -0.163 nan 4.420 nan 0.000 0.217 703 P C -0.495 176.811 177.300 0.010 0.000 1.151 703 P CA 1.180 64.301 63.100 0.035 0.000 0.828 703 P CB 0.367 32.088 31.700 0.035 0.000 0.788 704 N N -0.652 118.043 118.700 -0.007 0.000 2.456 704 N HA 0.454 5.201 4.740 0.013 0.000 0.296 704 N C -0.337 175.123 175.510 -0.082 0.000 1.102 704 N CA -0.748 52.281 53.050 -0.035 0.000 0.924 704 N CB 1.134 39.603 38.487 -0.031 0.000 1.186 704 N HN -0.058 nan 8.380 nan 0.000 0.492 705 A N 0.699 123.463 122.820 -0.093 0.000 2.366 705 A HA 0.487 4.815 4.320 0.013 0.000 0.249 705 A C 0.534 177.996 177.584 -0.203 0.000 1.084 705 A CA -0.080 51.866 52.037 -0.151 0.000 0.794 705 A CB 0.145 19.082 19.000 -0.105 0.000 1.034 705 A HN 0.701 nan 8.150 nan 0.000 0.491 706 T N -3.165 111.189 114.554 -0.333 0.000 2.742 706 T HA 0.624 4.981 4.350 0.013 0.000 0.282 706 T C 0.930 175.460 174.700 -0.284 0.000 1.025 706 T CA 0.067 61.944 62.100 -0.372 0.000 1.020 706 T CB 1.098 69.493 68.868 -0.789 0.000 1.317 706 T HN 1.355 nan 8.240 nan 0.000 0.538 707 A N -0.112 122.613 122.820 -0.158 0.000 2.067 707 A HA 0.127 4.454 4.320 0.013 0.000 0.219 707 A C 1.603 179.279 177.584 0.153 0.000 1.158 707 A CA 1.024 53.072 52.037 0.018 0.000 0.661 707 A CB -0.840 18.193 19.000 0.056 0.000 0.801 707 A HN 0.914 nan 8.150 nan 0.000 0.452 708 W N -0.771 120.587 121.300 0.098 0.000 2.714 708 W HA 0.425 5.094 4.660 0.014 0.000 0.353 708 W C -0.273 176.227 176.519 -0.032 0.000 0.999 708 W CA 0.451 57.847 57.345 0.086 0.000 1.629 708 W CB -1.039 28.470 29.460 0.083 0.000 1.106 708 W HN 0.382 nan 8.180 nan 0.000 0.545 709 S N -0.093 115.215 115.700 -0.654 0.000 2.570 709 S HA 0.463 4.941 4.470 0.013 0.000 0.270 709 S C -0.941 173.435 174.600 -0.372 0.000 1.149 709 S CA -0.749 57.091 58.200 -0.600 0.000 0.837 709 S CB 2.789 65.242 63.200 -1.246 0.000 1.124 709 S HN 0.109 nan 8.310 nan 0.000 0.465 710 E N 0.522 120.618 120.200 -0.172 0.000 2.280 710 E HA 0.585 4.942 4.350 0.013 0.000 0.264 710 E C 0.239 176.808 176.600 -0.052 0.000 1.064 710 E CA -0.872 55.480 56.400 -0.080 0.000 0.900 710 E CB 1.351 31.047 29.700 -0.005 0.000 1.123 710 E HN 0.876 nan 8.360 nan 0.000 0.418 711 A N 0.567 123.365 122.820 -0.038 0.000 2.531 711 A HA 0.344 4.671 4.320 0.013 0.000 0.236 711 A C 1.135 178.733 177.584 0.023 0.000 1.062 711 A CA 0.909 52.937 52.037 -0.015 0.000 0.760 711 A CB -0.502 18.490 19.000 -0.013 0.000 0.995 711 A HN 0.819 nan 8.150 nan 0.000 0.501 712 G N 0.595 109.421 108.800 0.042 0.000 2.176 712 G HA2 -0.254 3.713 3.960 0.013 0.000 0.253 712 G HA3 -0.254 3.713 3.960 0.013 0.000 0.253 712 G C 0.226 175.178 174.900 0.087 0.000 0.979 712 G CA 0.748 45.880 45.100 0.054 0.000 0.641 712 G HN 1.827 nan 8.290 nan 0.000 0.530 713 H N 0.650 119.730 119.070 0.016 0.000 3.001 713 H HA 0.455 5.018 4.556 0.013 0.000 0.334 713 H C 0.771 176.172 175.328 0.122 0.000 1.034 713 H CA 0.274 56.358 56.048 0.060 0.000 1.420 713 H CB 0.215 29.998 29.762 0.035 0.000 1.405 713 H HN 0.295 nan 8.280 nan 0.000 0.593 714 I N 4.582 124.929 120.570 -0.371 0.000 2.342 714 I HA 0.042 4.220 4.170 0.013 0.000 0.291 714 I C 0.764 176.753 176.117 -0.213 0.000 1.010 714 I CA -0.006 61.194 61.300 -0.168 0.000 1.308 714 I CB 1.553 39.513 38.000 -0.068 0.000 1.400 714 I HN 0.780 nan 8.210 nan 0.000 0.488 715 S N 3.935 119.725 115.700 0.150 0.000 2.512 715 S HA 0.585 5.063 4.470 0.013 0.000 0.216 715 S C 0.379 175.236 174.600 0.428 0.000 1.006 715 S CA -0.183 58.230 58.200 0.355 0.000 0.915 715 S CB 0.639 64.165 63.200 0.544 0.000 0.824 715 S HN 0.723 nan 8.310 nan 0.000 0.497 716 A N 0.664 123.769 122.820 0.475 0.000 2.599 716 A HA 0.669 4.996 4.320 0.013 0.000 0.294 716 A C -1.823 176.116 177.584 0.591 0.000 1.055 716 A CA -0.946 51.350 52.037 0.432 0.000 0.683 716 A CB 0.402 19.721 19.000 0.530 0.000 1.278 716 A HN 0.884 nan 8.150 nan 0.000 0.412 717 W N -0.042 121.432 121.300 0.290 0.000 3.005 717 W HA 0.812 5.480 4.660 0.014 0.000 0.343 717 W C -1.151 175.407 176.519 0.066 0.000 1.243 717 W CA -0.617 56.786 57.345 0.097 0.000 1.186 717 W CB 1.165 30.650 29.460 0.041 0.000 1.453 717 W HN 1.074 nan 8.180 nan 0.000 0.575 718 Q N 0.931 120.771 119.800 0.066 0.000 2.578 718 Q HA 0.451 4.798 4.340 0.013 0.000 0.284 718 Q C -1.701 174.140 176.000 -0.265 0.000 0.960 718 Q CA -0.467 55.219 55.803 -0.195 0.000 0.809 718 Q CB 2.331 30.771 28.738 -0.495 0.000 1.462 718 Q HN 0.621 nan 8.270 nan 0.000 0.392 719 Q N 1.183 120.760 119.800 -0.372 0.000 2.421 719 Q HA 0.623 4.970 4.340 0.013 0.000 0.280 719 Q C -1.217 174.666 176.000 -0.196 0.000 1.085 719 Q CA -0.706 55.076 55.803 -0.035 0.000 0.807 719 Q CB 2.449 31.355 28.738 0.279 0.000 1.405 719 Q HN 0.612 nan 8.270 nan 0.000 0.419 720 W N 0.939 122.408 121.300 0.283 0.000 3.032 720 W HA 0.447 5.114 4.660 0.012 0.000 0.335 720 W C -0.367 176.114 176.519 -0.062 0.000 1.154 720 W CA -0.714 56.701 57.345 0.117 0.000 1.204 720 W CB 1.722 31.209 29.460 0.045 0.000 1.416 720 W HN 0.412 nan 8.180 nan 0.000 0.521 721 R N 1.862 122.237 120.500 -0.209 0.000 2.389 721 R HA 0.362 4.709 4.340 0.013 0.000 0.295 721 R C 0.512 176.671 176.300 -0.234 0.000 1.075 721 R CA 0.013 55.726 56.100 -0.644 0.000 1.005 721 R CB 0.875 30.738 30.300 -0.728 0.000 0.987 721 R HN 0.300 nan 8.270 nan 0.000 0.452 722 L N 1.445 122.545 121.223 -0.204 0.000 2.793 722 L HA 0.520 4.868 4.340 0.013 0.000 0.188 722 L C 0.633 177.426 176.870 -0.129 0.000 1.949 722 L CA -1.045 53.731 54.840 -0.107 0.000 2.556 722 L CB -0.121 41.911 42.059 -0.046 0.000 2.898 722 L HN 0.583 nan 8.230 nan 0.000 0.621 723 A N 0.290 123.059 122.820 -0.086 0.000 2.445 723 A HA 0.198 4.526 4.320 0.013 0.000 0.242 723 A C -0.298 177.234 177.584 -0.088 0.000 1.075 723 A CA 0.158 52.149 52.037 -0.077 0.000 0.777 723 A CB 0.141 19.113 19.000 -0.047 0.000 1.013 723 A HN 0.606 nan 8.150 nan 0.000 0.493 724 E N 1.017 121.169 120.200 -0.080 0.000 2.210 724 E HA 0.300 4.658 4.350 0.013 0.000 0.266 724 E C -1.325 175.255 176.600 -0.033 0.000 0.883 724 E CA -0.673 55.685 56.400 -0.069 0.000 0.761 724 E CB 0.808 30.455 29.700 -0.088 0.000 1.156 724 E HN 0.681 nan 8.360 nan 0.000 0.412 725 N N 5.165 123.858 118.700 -0.013 0.000 2.626 725 N HA 0.246 4.994 4.740 0.013 0.000 0.242 725 N C -0.567 174.949 175.510 0.011 0.000 1.005 725 N CA -0.294 52.756 53.050 0.001 0.000 0.905 725 N CB 0.960 39.452 38.487 0.009 0.000 1.128 725 N HN 0.463 nan 8.380 nan 0.000 0.512 726 L N 0.658 121.887 121.223 0.009 0.000 2.485 726 L HA 0.072 4.420 4.340 0.013 0.000 0.275 726 L C 1.348 178.235 176.870 0.028 0.000 1.207 726 L CA 0.217 55.069 54.840 0.020 0.000 0.855 726 L CB 0.389 42.459 42.059 0.019 0.000 1.114 726 L HN 0.325 nan 8.230 nan 0.000 0.485 727 S N 1.378 117.101 115.700 0.038 0.000 2.528 727 S HA 0.233 4.710 4.470 0.013 0.000 0.277 727 S C 0.572 175.193 174.600 0.035 0.000 1.297 727 S CA -0.723 57.500 58.200 0.038 0.000 1.052 727 S CB 0.874 64.103 63.200 0.047 0.000 0.917 727 S HN 0.475 nan 8.310 nan 0.000 0.492 728 V N 2.200 122.132 119.914 0.029 0.000 3.380 728 V HA 0.341 4.469 4.120 0.013 0.000 0.307 728 V C 0.456 176.565 176.094 0.025 0.000 1.434 728 V CA 0.012 62.327 62.300 0.026 0.000 1.075 728 V CB -0.522 31.313 31.823 0.020 0.000 0.954 728 V HN 0.821 nan 8.190 nan 0.000 0.444 729 T N 1.097 115.668 114.554 0.028 0.000 2.761 729 T HA 0.656 5.014 4.350 0.013 0.000 0.296 729 T C -0.306 174.412 174.700 0.029 0.000 0.934 729 T CA -0.226 61.890 62.100 0.028 0.000 1.091 729 T CB 1.535 70.420 68.868 0.029 0.000 0.896 729 T HN 0.234 nan 8.240 nan 0.000 0.515 730 L N 4.733 125.971 121.223 0.024 0.000 2.417 730 L HA 0.415 4.762 4.340 0.013 0.000 0.268 730 L C -1.472 175.413 176.870 0.024 0.000 1.158 730 L CA -1.388 53.465 54.840 0.023 0.000 0.819 730 L CB 0.021 42.089 42.059 0.016 0.000 1.112 730 L HN 0.590 nan 8.230 nan 0.000 0.458 731 P HA 0.349 nan 4.420 nan 0.000 0.281 731 P C -1.149 176.159 177.300 0.014 0.000 1.249 731 P CA -0.677 62.439 63.100 0.027 0.000 0.810 731 P CB 0.941 32.661 31.700 0.034 0.000 1.008 732 A N 1.679 124.509 122.820 0.017 0.000 2.511 732 A HA 0.465 4.793 4.320 0.013 0.000 0.242 732 A C 0.650 178.205 177.584 -0.048 0.000 1.069 732 A CA -0.072 51.963 52.037 -0.003 0.000 0.763 732 A CB -0.497 18.518 19.000 0.025 0.000 1.001 732 A HN 0.690 nan 8.150 nan 0.000 0.498 733 A N 2.683 125.453 122.820 -0.085 0.000 2.498 733 A HA 0.488 4.816 4.320 0.013 0.000 0.239 733 A C 0.956 178.370 177.584 -0.283 0.000 1.068 733 A CA 0.359 52.319 52.037 -0.129 0.000 0.766 733 A CB -0.287 18.646 19.000 -0.111 0.000 1.003 733 A HN 1.866 nan 8.150 nan 0.000 0.497 734 S N 1.183 116.744 115.700 -0.232 0.000 2.565 734 S HA 0.354 4.832 4.470 0.013 0.000 0.274 734 S C -0.191 174.207 174.600 -0.336 0.000 1.309 734 S CA -0.473 57.560 58.200 -0.278 0.000 1.043 734 S CB 0.233 63.411 63.200 -0.036 0.000 0.939 734 S HN 0.665 nan 8.310 nan 0.000 0.504 735 H N 1.220 120.304 119.070 0.024 0.000 2.820 735 H HA 0.707 5.271 4.556 0.013 0.000 0.291 735 H C 0.312 175.655 175.328 0.025 0.000 1.412 735 H CA 0.303 56.364 56.048 0.021 0.000 1.176 735 H CB -0.911 28.861 29.762 0.018 0.000 1.467 735 H HN 0.948 nan 8.280 nan 0.000 0.517 736 A N 1.156 124.033 122.820 0.095 0.000 2.571 736 A HA 0.453 4.780 4.320 0.013 0.000 0.296 736 A C -1.779 175.847 177.584 0.071 0.000 1.005 736 A CA -0.815 51.277 52.037 0.092 0.000 0.682 736 A CB 1.063 20.131 19.000 0.114 0.000 1.292 736 A HN 0.280 nan 8.150 nan 0.000 0.420 737 I N 1.337 121.962 120.570 0.091 0.000 2.534 737 I HA 0.674 4.852 4.170 0.013 0.000 0.288 737 I C -3.049 173.160 176.117 0.152 0.000 1.077 737 I CA -2.271 59.085 61.300 0.094 0.000 1.051 737 I CB 2.000 40.039 38.000 0.065 0.000 1.234 737 I HN 0.372 nan 8.210 nan 0.000 0.425 738 P HA 0.277 nan 4.420 nan 0.000 0.272 738 P C -1.124 176.317 177.300 0.234 0.000 1.223 738 P CA 0.259 63.447 63.100 0.145 0.000 0.784 738 P CB 0.345 32.071 31.700 0.042 0.000 0.923 739 H N 0.710 119.810 119.070 0.050 0.000 2.472 739 H HA 0.435 4.999 4.556 0.013 0.000 0.338 739 H C -0.670 174.688 175.328 0.049 0.000 1.133 739 H CA -0.935 55.135 56.048 0.036 0.000 1.216 739 H CB 1.737 31.522 29.762 0.039 0.000 1.497 739 H HN 0.255 nan 8.280 nan 0.000 0.500 740 L N 2.194 123.471 121.223 0.090 0.000 2.317 740 L HA 0.350 4.697 4.340 0.013 0.000 0.281 740 L C -0.560 176.364 176.870 0.090 0.000 1.024 740 L CA -0.066 54.820 54.840 0.077 0.000 0.810 740 L CB 1.792 43.846 42.059 -0.008 0.000 1.240 740 L HN 0.515 nan 8.230 nan 0.000 0.427 741 T N 3.301 117.935 114.554 0.134 0.000 2.848 741 T HA 0.648 5.006 4.350 0.013 0.000 0.285 741 T C -0.588 174.212 174.700 0.167 0.000 0.995 741 T CA -0.376 61.797 62.100 0.122 0.000 0.970 741 T CB 1.462 70.392 68.868 0.102 0.000 0.976 741 T HN 0.713 nan 8.240 nan 0.000 0.441 742 T N 2.233 116.877 114.554 0.149 0.000 2.924 742 T HA 0.843 5.200 4.350 0.013 0.000 0.291 742 T C -0.453 174.287 174.700 0.068 0.000 1.045 742 T CA -0.785 61.420 62.100 0.175 0.000 1.015 742 T CB 1.654 70.653 68.868 0.217 0.000 1.103 742 T HN 0.746 nan 8.240 nan 0.000 0.496 743 S N -0.258 115.441 115.700 -0.002 0.000 2.656 743 S HA 0.443 4.921 4.470 0.013 0.000 0.273 743 S C 0.741 175.286 174.600 -0.092 0.000 1.168 743 S CA -0.859 57.324 58.200 -0.028 0.000 0.817 743 S CB 1.659 64.849 63.200 -0.017 0.000 1.146 743 S HN 0.741 nan 8.310 nan 0.000 0.475 744 E N -0.378 119.779 120.200 -0.071 0.000 2.118 744 E HA -0.143 4.215 4.350 0.013 0.000 0.195 744 E C 1.047 177.565 176.600 -0.137 0.000 0.992 744 E CA 1.363 57.707 56.400 -0.093 0.000 0.804 744 E CB -0.114 29.554 29.700 -0.053 0.000 0.741 744 E HN 0.587 nan 8.360 nan 0.000 0.458 745 M N 0.365 119.899 119.600 -0.110 0.000 2.492 745 M HA 0.147 4.635 4.480 0.013 0.000 0.255 745 M C -0.209 176.013 176.300 -0.130 0.000 1.139 745 M CA 0.577 55.817 55.300 -0.100 0.000 1.096 745 M CB 0.310 32.886 32.600 -0.040 0.000 1.360 745 M HN -0.105 nan 8.290 nan 0.000 0.480 746 D N -1.046 119.253 120.400 -0.168 0.000 2.583 746 D HA 0.435 5.082 4.640 0.013 0.000 0.248 746 D C -1.432 174.756 176.300 -0.186 0.000 1.209 746 D CA -0.321 53.602 54.000 -0.128 0.000 0.848 746 D CB 2.187 43.003 40.800 0.026 0.000 1.431 746 D HN -0.074 nan 8.370 nan 0.000 0.436 747 F N 0.797 120.833 119.950 0.143 0.000 2.460 747 F HA 0.379 4.914 4.527 0.013 0.000 0.341 747 F C -0.097 175.839 175.800 0.228 0.000 1.130 747 F CA -0.774 57.305 58.000 0.133 0.000 0.962 747 F CB 1.376 40.416 39.000 0.066 0.000 1.171 747 F HN 0.059 nan 8.300 nan 0.000 0.436 748 C N 4.894 124.416 119.300 0.369 0.000 2.379 748 C HA 0.751 5.218 4.460 0.013 0.000 0.323 748 C C -0.205 174.961 174.990 0.293 0.000 1.262 748 C CA -0.934 58.273 59.018 0.314 0.000 1.581 748 C CB 0.540 28.392 27.740 0.188 0.000 2.221 748 C HN 0.581 nan 8.230 nan 0.000 0.497 749 I N 2.273 123.065 120.570 0.371 0.000 2.509 749 I HA 0.503 4.681 4.170 0.013 0.000 0.293 749 I C -0.171 176.213 176.117 0.446 0.000 1.020 749 I CA -0.141 61.364 61.300 0.342 0.000 1.088 749 I CB 1.534 39.716 38.000 0.303 0.000 1.267 749 I HN 0.658 nan 8.210 nan 0.000 0.430 750 E N 5.529 125.923 120.200 0.323 0.000 2.234 750 E HA 0.698 5.056 4.350 0.013 0.000 0.266 750 E C -1.863 174.892 176.600 0.259 0.000 0.877 750 E CA -0.814 55.746 56.400 0.268 0.000 0.758 750 E CB 2.158 31.921 29.700 0.105 0.000 1.170 750 E HN 0.503 nan 8.360 nan 0.000 0.415 751 L N 5.234 126.640 121.223 0.305 0.000 2.555 751 L HA 0.525 4.873 4.340 0.013 0.000 0.264 751 L C 0.219 177.179 176.870 0.149 0.000 0.972 751 L CA 0.691 55.674 54.840 0.238 0.000 0.876 751 L CB 1.236 43.501 42.059 0.343 0.000 1.216 751 L HN 0.798 nan 8.230 nan 0.000 0.415 752 G N 4.488 113.325 108.800 0.061 0.000 2.651 752 G HA2 -0.438 3.529 3.960 0.013 0.000 0.315 752 G HA3 -0.438 3.529 3.960 0.013 0.000 0.315 752 G C 0.543 175.442 174.900 -0.002 0.000 1.258 752 G CA 0.658 45.772 45.100 0.024 0.000 1.002 752 G HN 1.197 nan 8.290 nan 0.000 0.551 753 N N 1.539 120.233 118.700 -0.011 0.000 2.370 753 N HA 0.127 4.875 4.740 0.013 0.000 0.198 753 N C 0.365 175.831 175.510 -0.073 0.000 1.156 753 N CA 0.793 53.818 53.050 -0.042 0.000 0.839 753 N CB 0.226 38.689 38.487 -0.041 0.000 0.989 753 N HN 0.742 nan 8.380 nan 0.000 0.468 754 K N 0.301 120.657 120.400 -0.074 0.000 2.267 754 K HA 0.532 4.860 4.320 0.013 0.000 0.246 754 K C -0.388 176.051 176.600 -0.269 0.000 0.954 754 K CA -0.653 55.475 56.287 -0.264 0.000 0.824 754 K CB 2.199 34.486 32.500 -0.356 0.000 1.167 754 K HN -0.025 nan 8.250 nan 0.000 0.431 755 R N 1.098 121.320 120.500 -0.462 0.000 2.725 755 R HA 0.440 4.787 4.340 0.013 0.000 0.277 755 R C -1.226 174.934 176.300 -0.233 0.000 0.987 755 R CA -0.872 55.142 56.100 -0.143 0.000 0.901 755 R CB 1.908 32.181 30.300 -0.044 0.000 1.207 755 R HN 0.553 nan 8.270 nan 0.000 0.463 756 W N 1.812 123.226 121.300 0.191 0.000 2.883 756 W HA 0.352 5.019 4.660 0.013 0.000 0.335 756 W C -0.574 176.048 176.519 0.172 0.000 1.083 756 W CA -0.601 56.808 57.345 0.106 0.000 1.233 756 W CB 2.368 31.881 29.460 0.088 0.000 1.412 756 W HN 0.414 nan 8.180 nan 0.000 0.490 757 Q N 2.453 122.391 119.800 0.230 0.000 2.310 757 Q HA 0.452 4.799 4.340 0.013 0.000 0.270 757 Q C -1.952 174.049 176.000 0.002 0.000 1.025 757 Q CA -0.433 55.515 55.803 0.242 0.000 0.772 757 Q CB 1.369 30.301 28.738 0.323 0.000 1.253 757 Q HN 0.328 nan 8.270 nan 0.000 0.450 758 F N 2.608 122.656 119.950 0.163 0.000 2.426 758 F HA 0.344 4.879 4.527 0.013 0.000 0.348 758 F C 0.495 176.340 175.800 0.076 0.000 1.124 758 F CA -0.901 57.164 58.000 0.109 0.000 1.008 758 F CB 1.393 40.465 39.000 0.119 0.000 1.139 758 F HN 0.505 nan 8.300 nan 0.000 0.452 759 N N 3.595 122.414 118.700 0.198 0.000 2.442 759 N HA 0.090 4.838 4.740 0.013 0.000 0.265 759 N C 0.857 176.400 175.510 0.055 0.000 1.138 759 N CA 0.015 53.127 53.050 0.104 0.000 0.956 759 N CB 0.757 39.312 38.487 0.112 0.000 1.067 759 N HN 0.697 nan 8.380 nan 0.000 0.474 760 R N 2.316 122.777 120.500 -0.066 0.000 2.236 760 R HA -0.060 4.287 4.340 0.013 0.000 0.208 760 R C 1.644 177.898 176.300 -0.077 0.000 1.036 760 R CA 0.657 56.674 56.100 -0.139 0.000 1.001 760 R CB 0.208 30.300 30.300 -0.346 0.000 0.896 760 R HN 0.677 nan 8.270 nan 0.000 0.464 761 Q N 0.446 120.226 119.800 -0.034 0.000 2.165 761 Q HA -0.069 4.279 4.340 0.013 0.000 0.197 761 Q C 1.871 177.877 176.000 0.011 0.000 0.952 761 Q CA 1.554 57.349 55.803 -0.014 0.000 0.848 761 Q CB 0.306 29.049 28.738 0.008 0.000 0.931 761 Q HN 0.316 nan 8.270 nan 0.000 0.470 762 S N -1.827 113.905 115.700 0.054 0.000 2.458 762 S HA 0.176 4.654 4.470 0.013 0.000 0.223 762 S C 1.403 175.966 174.600 -0.061 0.000 1.019 762 S CA 0.659 58.914 58.200 0.091 0.000 0.937 762 S CB 0.520 63.886 63.200 0.276 0.000 0.788 762 S HN 0.599 nan 8.310 nan 0.000 0.511 763 G N 0.398 109.171 108.800 -0.046 0.000 2.143 763 G HA2 -0.209 3.759 3.960 0.013 0.000 0.249 763 G HA3 -0.209 3.759 3.960 0.013 0.000 0.249 763 G C -0.104 174.721 174.900 -0.124 0.000 0.981 763 G CA 0.239 45.280 45.100 -0.099 0.000 0.665 763 G HN 0.532 nan 8.290 nan 0.000 0.528 764 F N -1.307 118.822 119.950 0.298 0.000 2.598 764 F HA 0.682 5.216 4.527 0.013 0.000 0.327 764 F C 0.465 176.307 175.800 0.070 0.000 1.057 764 F CA -1.492 56.647 58.000 0.231 0.000 0.957 764 F CB 1.411 40.500 39.000 0.148 0.000 1.278 764 F HN 0.008 nan 8.300 nan 0.000 0.484 765 L N 1.916 123.204 121.223 0.107 0.000 2.485 765 L HA 0.156 4.504 4.340 0.013 0.000 0.279 765 L C 0.982 177.749 176.870 -0.173 0.000 1.124 765 L CA 0.464 55.031 54.840 -0.455 0.000 0.888 765 L CB 0.289 42.004 42.059 -0.573 0.000 1.217 765 L HN 0.702 nan 8.230 nan 0.000 0.464 766 S N 2.593 118.199 115.700 -0.157 0.000 2.503 766 S HA 0.244 4.722 4.470 0.013 0.000 0.215 766 S C 0.585 175.071 174.600 -0.191 0.000 1.003 766 S CA -0.044 58.104 58.200 -0.087 0.000 0.910 766 S CB 0.103 63.306 63.200 0.006 0.000 0.790 766 S HN 0.682 nan 8.310 nan 0.000 0.514 767 Q N -0.159 119.470 119.800 -0.285 0.000 2.527 767 Q HA 0.675 5.023 4.340 0.013 0.000 0.280 767 Q C -2.016 173.649 176.000 -0.559 0.000 0.977 767 Q CA -0.303 55.200 55.803 -0.500 0.000 0.837 767 Q CB 1.738 30.062 28.738 -0.690 0.000 1.454 767 Q HN 0.441 nan 8.270 nan 0.000 0.387 768 M N 1.523 120.674 119.600 -0.748 0.000 2.433 768 M HA 0.576 5.063 4.480 0.013 0.000 0.290 768 M C -1.453 174.452 176.300 -0.658 0.000 1.173 768 M CA -0.448 54.485 55.300 -0.612 0.000 0.905 768 M CB 2.262 34.455 32.600 -0.678 0.000 1.692 768 M HN 0.464 nan 8.290 nan 0.000 0.462 769 W N 3.216 124.275 121.300 -0.402 0.000 2.736 769 W HA 0.667 5.335 4.660 0.013 0.000 0.335 769 W C -1.306 175.011 176.519 -0.338 0.000 1.059 769 W CA -0.661 56.512 57.345 -0.288 0.000 1.226 769 W CB 1.696 31.025 29.460 -0.218 0.000 1.416 769 W HN 0.483 nan 8.180 nan 0.000 0.505 770 I N 2.591 123.137 120.570 -0.041 0.000 2.410 770 I HA 0.469 4.646 4.170 0.013 0.000 0.286 770 I C 0.784 176.879 176.117 -0.037 0.000 1.009 770 I CA 0.195 61.435 61.300 -0.101 0.000 1.111 770 I CB 1.302 39.218 38.000 -0.139 0.000 1.262 770 I HN 0.713 nan 8.210 nan 0.000 0.443 771 G N 5.594 114.370 108.800 -0.039 0.000 2.531 771 G HA2 -0.242 3.725 3.960 0.013 0.000 0.274 771 G HA3 -0.242 3.725 3.960 0.013 0.000 0.274 771 G C 0.113 175.023 174.900 0.016 0.000 1.159 771 G CA 0.256 45.341 45.100 -0.025 0.000 0.969 771 G HN 0.611 nan 8.290 nan 0.000 0.554 772 D N 0.899 121.319 120.400 0.034 0.000 2.538 772 D HA 0.253 4.900 4.640 0.013 0.000 0.231 772 D C 0.594 177.028 176.300 0.224 0.000 1.229 772 D CA 0.008 54.060 54.000 0.086 0.000 0.828 772 D CB 0.828 41.628 40.800 0.001 0.000 1.035 772 D HN 0.276 nan 8.370 nan 0.000 0.495 773 K N 1.418 121.901 120.400 0.140 0.000 2.227 773 K HA 0.200 4.528 4.320 0.013 0.000 0.280 773 K C 0.028 176.601 176.600 -0.045 0.000 1.041 773 K CA -0.432 55.896 56.287 0.068 0.000 0.905 773 K CB 1.065 33.556 32.500 -0.015 0.000 1.068 773 K HN -0.255 nan 8.250 nan 0.000 0.470 774 K N 2.656 122.942 120.400 -0.189 0.000 2.436 774 K HA -0.022 4.306 4.320 0.013 0.000 0.275 774 K C 0.622 177.020 176.600 -0.337 0.000 0.999 774 K CA 0.006 55.965 56.287 -0.546 0.000 0.980 774 K CB 0.655 32.876 32.500 -0.465 0.000 0.919 774 K HN 0.505 nan 8.250 nan 0.000 0.484 775 Q N 1.303 120.874 119.800 -0.382 0.000 2.378 775 Q HA 0.203 4.551 4.340 0.013 0.000 0.229 775 Q C 0.052 175.972 176.000 -0.135 0.000 0.882 775 Q CA 0.517 56.227 55.803 -0.154 0.000 0.936 775 Q CB 0.548 29.236 28.738 -0.084 0.000 1.092 775 Q HN 0.498 nan 8.270 nan 0.000 0.535 776 L N 0.395 121.468 121.223 -0.250 0.000 2.354 776 L HA 0.404 4.751 4.340 0.013 0.000 0.269 776 L C 0.888 177.626 176.870 -0.220 0.000 1.005 776 L CA -0.404 54.314 54.840 -0.202 0.000 0.819 776 L CB 1.758 43.689 42.059 -0.214 0.000 1.311 776 L HN -0.097 nan 8.230 nan 0.000 0.423 777 L N 0.357 121.447 121.223 -0.222 0.000 2.425 777 L HA 0.170 4.517 4.340 0.013 0.000 0.215 777 L C 0.666 177.421 176.870 -0.192 0.000 1.065 777 L CA 0.484 55.199 54.840 -0.208 0.000 0.842 777 L CB 0.432 42.352 42.059 -0.233 0.000 1.033 777 L HN 0.766 nan 8.230 nan 0.000 0.474 778 T N -3.069 111.345 114.554 -0.233 0.000 2.900 778 T HA 0.557 4.915 4.350 0.013 0.000 0.295 778 T C -2.833 171.792 174.700 -0.124 0.000 1.044 778 T CA -2.124 59.888 62.100 -0.146 0.000 0.995 778 T CB 2.204 71.006 68.868 -0.110 0.000 1.072 778 T HN -0.308 nan 8.240 nan 0.000 0.473 779 P HA 0.265 nan 4.420 nan 0.000 0.271 779 P C -0.579 176.673 177.300 -0.080 0.000 1.233 779 P CA -0.779 62.279 63.100 -0.068 0.000 0.789 779 P CB 0.298 31.987 31.700 -0.019 0.000 0.951 780 L N 2.507 123.714 121.223 -0.027 0.000 2.315 780 L HA 0.290 4.638 4.340 0.013 0.000 0.283 780 L C 0.091 176.885 176.870 -0.125 0.000 1.089 780 L CA 0.594 55.449 54.840 0.025 0.000 0.833 780 L CB -0.533 41.647 42.059 0.201 0.000 1.170 780 L HN 0.293 nan 8.230 nan 0.000 0.442 781 R N 2.771 123.115 120.500 -0.261 0.000 2.808 781 R HA 0.443 4.791 4.340 0.013 0.000 0.272 781 R C -1.057 175.099 176.300 -0.241 0.000 0.995 781 R CA -1.024 54.738 56.100 -0.564 0.000 0.917 781 R CB 1.297 31.132 30.300 -0.775 0.000 1.217 781 R HN 0.569 nan 8.270 nan 0.000 0.471 782 D N 1.173 121.498 120.400 -0.125 0.000 2.400 782 D HA 0.043 4.691 4.640 0.013 0.000 0.238 782 D C -0.425 175.499 176.300 -0.626 0.000 1.157 782 D CA 0.395 54.188 54.000 -0.345 0.000 0.889 782 D CB 0.653 41.218 40.800 -0.392 0.000 1.199 782 D HN 0.215 nan 8.370 nan 0.000 0.436 783 Q N 1.050 120.267 119.800 -0.971 0.000 2.271 783 Q HA 0.322 4.669 4.340 0.013 0.000 0.268 783 Q C -1.318 173.899 176.000 -1.306 0.000 1.021 783 Q CA -0.577 54.697 55.803 -0.882 0.000 0.802 783 Q CB 0.789 29.241 28.738 -0.477 0.000 1.282 783 Q HN 0.568 nan 8.270 nan 0.000 0.431 784 F N 0.898 120.449 119.950 -0.664 0.000 2.688 784 F HA 0.207 4.742 4.527 0.013 0.000 0.310 784 F C 0.560 175.918 175.800 -0.737 0.000 1.098 784 F CA -0.152 57.342 58.000 -0.843 0.000 1.228 784 F CB 1.565 39.718 39.000 -1.410 0.000 1.042 784 F HN 0.447 nan 8.300 nan 0.000 0.557 785 T N -1.004 113.235 114.554 -0.525 0.000 2.901 785 T HA 0.750 5.108 4.350 0.013 0.000 0.293 785 T C -0.617 173.832 174.700 -0.419 0.000 1.084 785 T CA -1.009 60.719 62.100 -0.619 0.000 1.008 785 T CB 2.777 71.211 68.868 -0.724 0.000 1.170 785 T HN 0.242 nan 8.240 nan 0.000 0.509 786 R N -0.015 120.276 120.500 -0.349 0.000 2.837 786 R HA 0.792 5.140 4.340 0.013 0.000 0.271 786 R C -0.773 175.585 176.300 0.098 0.000 0.993 786 R CA -1.216 54.817 56.100 -0.111 0.000 0.931 786 R CB 1.554 31.791 30.300 -0.105 0.000 1.206 786 R HN 0.819 nan 8.270 nan 0.000 0.474 787 A N 3.454 126.318 122.820 0.073 0.000 2.476 787 A HA 0.292 4.620 4.320 0.013 0.000 0.275 787 A C -2.010 175.649 177.584 0.124 0.000 1.133 787 A CA -1.427 50.654 52.037 0.073 0.000 0.797 787 A CB -0.449 18.540 19.000 -0.018 0.000 1.081 787 A HN 0.577 nan 8.150 nan 0.000 0.510 788 P HA 0.090 nan 4.420 nan 0.000 0.264 788 P C -0.194 177.237 177.300 0.219 0.000 1.193 788 P CA 0.372 63.643 63.100 0.285 0.000 0.763 788 P CB 0.396 32.298 31.700 0.336 0.000 0.810 789 L N 2.548 123.869 121.223 0.164 0.000 2.466 789 L HA 0.130 4.478 4.340 0.013 0.000 0.257 789 L C 1.858 178.774 176.870 0.077 0.000 1.189 789 L CA -0.385 54.492 54.840 0.062 0.000 0.813 789 L CB -0.072 41.953 42.059 -0.056 0.000 1.118 789 L HN 0.318 nan 8.230 nan 0.000 0.471 790 D N 0.429 120.829 120.400 0.000 0.000 2.158 790 D HA -0.163 4.485 4.640 0.013 0.000 0.197 790 D C 1.550 177.840 176.300 -0.016 0.000 0.995 790 D CA 1.428 55.384 54.000 -0.073 0.000 0.846 790 D CB 0.027 40.751 40.800 -0.128 0.000 0.941 790 D HN 0.481 nan 8.370 nan 0.000 0.456 791 N N 0.920 119.613 118.700 -0.012 0.000 2.396 791 N HA -0.094 4.654 4.740 0.013 0.000 0.180 791 N C 1.065 176.607 175.510 0.054 0.000 1.028 791 N CA 0.604 53.660 53.050 0.010 0.000 0.893 791 N CB -0.051 38.427 38.487 -0.015 0.000 0.967 791 N HN 0.228 nan 8.380 nan 0.000 0.440 792 D N 0.193 120.640 120.400 0.078 0.000 2.249 792 D HA 0.095 4.743 4.640 0.013 0.000 0.205 792 D C 1.923 178.273 176.300 0.082 0.000 0.962 792 D CA 0.269 54.341 54.000 0.119 0.000 0.860 792 D CB 0.277 41.218 40.800 0.235 0.000 0.955 792 D HN 0.289 nan 8.370 nan 0.000 0.505 793 I N 0.240 120.848 120.570 0.063 0.000 2.480 793 I HA 0.049 4.227 4.170 0.013 0.000 0.251 793 I C 1.808 177.922 176.117 -0.005 0.000 1.124 793 I CA 0.591 61.907 61.300 0.026 0.000 1.444 793 I CB -0.285 37.710 38.000 -0.008 0.000 1.098 793 I HN 0.041 nan 8.210 nan 0.000 0.428 794 G N 1.378 110.185 108.800 0.011 0.000 2.614 794 G HA2 -0.378 3.590 3.960 0.013 0.000 0.303 794 G HA3 -0.378 3.590 3.960 0.013 0.000 0.303 794 G C 0.825 175.723 174.900 -0.003 0.000 1.270 794 G CA 1.035 46.155 45.100 0.033 0.000 0.988 794 G HN 0.552 nan 8.290 nan 0.000 0.551 795 V N -1.768 118.132 119.914 -0.023 0.000 3.646 795 V HA 0.541 4.669 4.120 0.013 0.000 0.277 795 V C 1.370 177.413 176.094 -0.085 0.000 1.274 795 V CA 1.414 63.659 62.300 -0.092 0.000 1.164 795 V CB -0.147 31.591 31.823 -0.141 0.000 0.926 795 V HN 1.086 nan 8.190 nan 0.000 0.442 796 S N 1.228 116.893 115.700 -0.059 0.000 2.544 796 S HA 0.201 4.679 4.470 0.013 0.000 0.290 796 S C 0.003 174.575 174.600 -0.047 0.000 1.276 796 S CA 0.255 58.424 58.200 -0.051 0.000 1.075 796 S CB 0.015 63.193 63.200 -0.037 0.000 0.849 796 S HN 0.840 nan 8.310 nan 0.000 0.494 797 E N 1.608 121.783 120.200 -0.042 0.000 2.343 797 E HA 0.577 4.934 4.350 0.013 0.000 0.270 797 E C 0.475 177.066 176.600 -0.016 0.000 0.895 797 E CA -0.524 55.859 56.400 -0.029 0.000 0.767 797 E CB 1.468 31.143 29.700 -0.041 0.000 1.248 797 E HN 0.604 nan 8.360 nan 0.000 0.440 798 A N 1.567 124.386 122.820 -0.001 0.000 1.972 798 A HA -0.188 4.139 4.320 0.013 0.000 0.219 798 A C 2.037 179.619 177.584 -0.004 0.000 1.169 798 A CA 2.372 54.411 52.037 0.003 0.000 0.635 798 A CB -0.821 18.187 19.000 0.014 0.000 0.810 798 A HN 0.712 nan 8.150 nan 0.000 0.446 799 T N -1.295 113.254 114.554 -0.008 0.000 2.639 799 T HA -0.109 4.248 4.350 0.013 0.000 0.261 799 T C 1.242 175.928 174.700 -0.023 0.000 1.053 799 T CA 1.221 63.313 62.100 -0.013 0.000 1.158 799 T CB -0.169 68.689 68.868 -0.017 0.000 0.863 799 T HN 0.349 nan 8.240 nan 0.000 0.413 800 R N 1.114 121.593 120.500 -0.034 0.000 2.825 800 R HA 0.353 4.701 4.340 0.013 0.000 0.261 800 R C -0.897 175.376 176.300 -0.045 0.000 1.341 800 R CA -0.606 55.466 56.100 -0.046 0.000 1.353 800 R CB -0.161 30.100 30.300 -0.065 0.000 1.191 800 R HN 0.340 nan 8.270 nan 0.000 0.590 801 I N 1.976 122.524 120.570 -0.036 0.000 2.556 801 I HA -0.058 4.119 4.170 0.013 0.000 0.284 801 I C 0.300 176.388 176.117 -0.049 0.000 1.114 801 I CA -0.442 60.837 61.300 -0.036 0.000 1.418 801 I CB 0.830 38.815 38.000 -0.026 0.000 1.394 801 I HN 0.419 nan 8.210 nan 0.000 0.552 802 D N 9.597 129.963 120.400 -0.057 0.000 2.443 802 D HA 0.288 4.936 4.640 0.013 0.000 0.221 802 D C -1.713 174.536 176.300 -0.086 0.000 1.097 802 D CA -2.208 51.750 54.000 -0.070 0.000 0.865 802 D CB 1.450 42.207 40.800 -0.072 0.000 1.034 802 D HN 0.216 nan 8.370 nan 0.000 0.511 803 P HA -0.123 nan 4.420 nan 0.000 0.225 803 P C 0.807 178.013 177.300 -0.157 0.000 1.148 803 P CA 0.695 63.733 63.100 -0.103 0.000 0.779 803 P CB 0.387 32.037 31.700 -0.083 0.000 0.780 804 N N -0.174 118.425 118.700 -0.168 0.000 2.424 804 N HA 0.069 4.817 4.740 0.013 0.000 0.178 804 N C 0.472 175.784 175.510 -0.330 0.000 1.060 804 N CA 0.034 52.939 53.050 -0.241 0.000 0.901 804 N CB -0.399 37.973 38.487 -0.192 0.000 0.979 804 N HN -0.026 nan 8.380 nan 0.000 0.451 805 A N -0.511 122.161 122.820 -0.247 0.000 2.445 805 A HA 0.099 4.427 4.320 0.013 0.000 0.242 805 A C 0.722 178.087 177.584 -0.365 0.000 1.075 805 A CA -0.356 51.529 52.037 -0.254 0.000 0.777 805 A CB -0.152 18.773 19.000 -0.126 0.000 1.013 805 A HN 0.519 nan 8.150 nan 0.000 0.493 806 W N 1.513 122.557 121.300 -0.427 0.000 2.317 806 W HA -0.204 4.463 4.660 0.012 0.000 0.318 806 W C 2.253 178.190 176.519 -0.971 0.000 1.227 806 W CA 1.786 58.605 57.345 -0.877 0.000 1.269 806 W CB -0.446 28.361 29.460 -1.088 0.000 1.155 806 W HN 0.549 nan 8.180 nan 0.000 0.484 807 V N 0.858 120.648 119.914 -0.206 0.000 2.380 807 V HA -0.288 3.840 4.120 0.013 0.000 0.251 807 V C 2.163 178.333 176.094 0.126 0.000 1.063 807 V CA 2.191 64.585 62.300 0.156 0.000 1.055 807 V CB -0.367 31.582 31.823 0.210 0.000 0.657 807 V HN 0.103 nan 8.190 nan 0.000 0.455 808 E N -0.173 120.009 120.200 -0.029 0.000 2.107 808 E HA -0.139 4.219 4.350 0.013 0.000 0.191 808 E C 2.354 178.919 176.600 -0.058 0.000 0.982 808 E CA 0.997 57.380 56.400 -0.029 0.000 0.809 808 E CB -0.264 29.393 29.700 -0.071 0.000 0.756 808 E HN 0.618 nan 8.360 nan 0.000 0.459 809 R N -0.338 120.054 120.500 -0.180 0.000 2.075 809 R HA -0.090 4.257 4.340 0.013 0.000 0.232 809 R C 2.263 178.508 176.300 -0.092 0.000 1.126 809 R CA 1.121 57.100 56.100 -0.201 0.000 0.963 809 R CB -0.151 29.919 30.300 -0.383 0.000 0.858 809 R HN 0.219 nan 8.270 nan 0.000 0.435 810 W N 1.579 122.846 121.300 -0.055 0.000 2.358 810 W HA -0.080 4.588 4.660 0.013 0.000 0.303 810 W C 1.905 178.378 176.519 -0.076 0.000 1.208 810 W CA 0.770 57.966 57.345 -0.248 0.000 1.274 810 W CB -0.659 28.801 29.460 0.000 0.000 1.138 810 W HN 0.088 nan 8.180 nan 0.000 0.515 811 K N 0.167 120.784 120.400 0.362 0.000 2.002 811 K HA -0.116 4.212 4.320 0.013 0.000 0.209 811 K C 2.305 178.966 176.600 0.101 0.000 1.048 811 K CA 1.994 58.447 56.287 0.277 0.000 0.930 811 K CB -0.720 31.885 32.500 0.175 0.000 0.714 811 K HN -0.021 nan 8.250 nan 0.000 0.438 812 A N 1.162 124.013 122.820 0.051 0.000 1.978 812 A HA -0.117 4.210 4.320 0.013 0.000 0.220 812 A C 2.229 179.815 177.584 0.004 0.000 1.170 812 A CA 1.860 53.911 52.037 0.023 0.000 0.636 812 A CB -0.648 18.353 19.000 0.002 0.000 0.810 812 A HN 0.360 nan 8.150 nan 0.000 0.448 813 A N -1.947 120.857 122.820 -0.028 0.000 2.206 813 A HA 0.385 4.712 4.320 0.013 0.000 0.211 813 A C 1.866 179.398 177.584 -0.086 0.000 1.158 813 A CA 1.296 53.328 52.037 -0.008 0.000 0.761 813 A CB -0.872 18.113 19.000 -0.025 0.000 0.801 813 A HN 1.904 nan 8.150 nan 0.000 0.473 814 G N -1.668 106.985 108.800 -0.244 0.000 2.141 814 G HA2 -0.302 3.665 3.960 0.013 0.000 0.242 814 G HA3 -0.302 3.665 3.960 0.013 0.000 0.242 814 G C 0.574 175.461 174.900 -0.022 0.000 0.982 814 G CA 0.668 45.401 45.100 -0.611 0.000 0.662 814 G HN 0.753 nan 8.290 nan 0.000 0.527 815 H N -1.502 117.555 119.070 -0.020 0.000 2.387 815 H HA -0.084 4.480 4.556 0.013 0.000 0.299 815 H C 2.182 177.499 175.328 -0.019 0.000 1.099 815 H CA 1.544 57.602 56.048 0.016 0.000 1.315 815 H CB 0.077 29.787 29.762 -0.086 0.000 1.380 815 H HN 0.595 nan 8.280 nan 0.000 0.513 816 Y N 1.129 121.556 120.300 0.212 0.000 2.516 816 Y HA -0.099 4.458 4.550 0.013 0.000 0.291 816 Y C 2.286 178.270 175.900 0.140 0.000 1.131 816 Y CA 0.597 58.782 58.100 0.140 0.000 1.281 816 Y CB 0.384 38.909 38.460 0.108 0.000 1.013 816 Y HN 0.359 nan 8.280 nan 0.000 0.554 817 Q N -0.268 119.696 119.800 0.274 0.000 2.194 817 Q HA 0.357 4.705 4.340 0.013 0.000 0.214 817 Q C 0.432 176.621 176.000 0.315 0.000 0.838 817 Q CA -0.040 55.921 55.803 0.263 0.000 0.972 817 Q CB 0.288 29.168 28.738 0.237 0.000 1.131 817 Q HN 0.180 nan 8.270 nan 0.000 0.498 818 A N 1.903 124.936 122.820 0.354 0.000 2.511 818 A HA 0.120 4.448 4.320 0.013 0.000 0.242 818 A C -0.183 177.704 177.584 0.504 0.000 1.069 818 A CA 0.131 52.441 52.037 0.455 0.000 0.763 818 A CB 0.218 19.526 19.000 0.514 0.000 1.001 818 A HN 0.334 nan 8.150 nan 0.000 0.498 819 E N 1.132 121.529 120.200 0.328 0.000 2.171 819 E HA 0.476 4.834 4.350 0.013 0.000 0.271 819 E C -0.315 176.209 176.600 -0.127 0.000 0.916 819 E CA -0.646 55.858 56.400 0.173 0.000 0.774 819 E CB 1.935 31.710 29.700 0.124 0.000 1.128 819 E HN 0.760 nan 8.360 nan 0.000 0.403 820 A N 2.262 124.895 122.820 -0.312 0.000 2.451 820 A HA 0.454 4.782 4.320 0.013 0.000 0.266 820 A C -0.066 177.370 177.584 -0.247 0.000 1.119 820 A CA -0.115 51.489 52.037 -0.722 0.000 0.786 820 A CB 0.179 18.841 19.000 -0.564 0.000 1.061 820 A HN 0.593 nan 8.150 nan 0.000 0.503 821 A N 2.870 125.549 122.820 -0.234 0.000 2.304 821 A HA 0.591 4.919 4.320 0.013 0.000 0.323 821 A C -0.383 177.150 177.584 -0.086 0.000 1.195 821 A CA -0.566 51.415 52.037 -0.094 0.000 0.826 821 A CB 0.510 19.467 19.000 -0.072 0.000 1.184 821 A HN 1.158 nan 8.150 nan 0.000 0.496 822 L N 3.069 124.236 121.223 -0.094 0.000 2.360 822 L HA 0.353 4.701 4.340 0.013 0.000 0.276 822 L C 0.445 177.199 176.870 -0.193 0.000 1.121 822 L CA 0.270 54.963 54.840 -0.246 0.000 0.845 822 L CB 0.394 42.328 42.059 -0.207 0.000 1.143 822 L HN 0.768 nan 8.230 nan 0.000 0.452 823 L N 3.300 124.382 121.223 -0.236 0.000 2.537 823 L HA 0.344 4.692 4.340 0.013 0.000 0.224 823 L C 0.435 177.236 176.870 -0.114 0.000 1.065 823 L CA 0.029 54.793 54.840 -0.127 0.000 0.860 823 L CB 0.068 42.082 42.059 -0.074 0.000 1.086 823 L HN 0.704 nan 8.230 nan 0.000 0.482 824 Q N -0.345 119.358 119.800 -0.162 0.000 2.503 824 Q HA 0.324 4.671 4.340 0.013 0.000 0.268 824 Q C -2.138 173.806 176.000 -0.093 0.000 0.982 824 Q CA -0.504 55.243 55.803 -0.092 0.000 0.907 824 Q CB 3.017 31.723 28.738 -0.054 0.000 1.467 824 Q HN 0.060 nan 8.270 nan 0.000 0.394 825 C N 3.015 122.307 119.300 -0.014 0.000 2.833 825 C HA 0.769 5.236 4.460 0.013 0.000 0.383 825 C C -0.928 174.170 174.990 0.181 0.000 1.058 825 C CA 0.428 59.484 59.018 0.063 0.000 1.259 825 C CB 0.562 28.336 27.740 0.058 0.000 1.726 825 C HN 0.827 nan 8.230 nan 0.000 0.484 826 T N 2.523 117.131 114.554 0.089 0.000 2.906 826 T HA 0.913 5.271 4.350 0.013 0.000 0.295 826 T C -0.482 173.995 174.700 -0.371 0.000 1.075 826 T CA -0.297 61.797 62.100 -0.010 0.000 1.005 826 T CB 1.939 70.779 68.868 -0.047 0.000 1.136 826 T HN 1.734 nan 8.240 nan 0.000 0.498 827 A N 1.341 123.746 122.820 -0.692 0.000 2.371 827 A HA 0.763 5.090 4.320 0.013 0.000 0.311 827 A C -1.251 176.060 177.584 -0.454 0.000 1.068 827 A CA -0.726 50.783 52.037 -0.880 0.000 0.744 827 A CB 1.273 19.257 19.000 -1.693 0.000 1.239 827 A HN 0.866 nan 8.150 nan 0.000 0.435 828 D N 0.958 121.163 120.400 -0.325 0.000 2.819 828 D HA 0.415 5.063 4.640 0.013 0.000 0.232 828 D C -0.956 175.241 176.300 -0.172 0.000 1.160 828 D CA -0.018 53.862 54.000 -0.201 0.000 0.858 828 D CB 2.350 43.063 40.800 -0.145 0.000 1.610 828 D HN 0.400 nan 8.370 nan 0.000 0.481 829 T N 2.158 116.632 114.554 -0.133 0.000 2.771 829 T HA 0.422 4.779 4.350 0.013 0.000 0.291 829 T C 0.682 175.330 174.700 -0.086 0.000 0.954 829 T CA -0.308 61.726 62.100 -0.110 0.000 1.045 829 T CB 0.642 69.449 68.868 -0.101 0.000 0.917 829 T HN 0.100 nan 8.240 nan 0.000 0.484 830 L N 1.641 122.818 121.223 -0.077 0.000 2.578 830 L HA 0.598 4.946 4.340 0.013 0.000 0.259 830 L C 2.033 178.875 176.870 -0.047 0.000 1.082 830 L CA -1.138 53.666 54.840 -0.059 0.000 0.843 830 L CB 0.157 42.183 42.059 -0.055 0.000 1.535 830 L HN 0.666 nan 8.230 nan 0.000 0.510 831 A N 0.428 123.227 122.820 -0.036 0.000 1.877 831 A HA -0.157 4.171 4.320 0.013 0.000 0.216 831 A C 1.055 178.626 177.584 -0.023 0.000 1.186 831 A CA 2.046 54.066 52.037 -0.028 0.000 0.620 831 A CB -0.457 18.529 19.000 -0.023 0.000 0.822 831 A HN 0.888 nan 8.150 nan 0.000 0.443 832 D N -2.442 117.944 120.400 -0.024 0.000 2.673 832 D HA 0.561 5.209 4.640 0.013 0.000 0.278 832 D C -0.088 176.199 176.300 -0.022 0.000 1.393 832 D CA 0.658 54.648 54.000 -0.016 0.000 0.805 832 D CB -0.193 40.596 40.800 -0.018 0.000 1.110 832 D HN 0.501 nan 8.370 nan 0.000 0.476 833 A N -0.599 122.198 122.820 -0.037 0.000 2.586 833 A HA 0.615 4.942 4.320 0.013 0.000 0.290 833 A C -1.769 175.765 177.584 -0.082 0.000 1.086 833 A CA -0.698 51.303 52.037 -0.060 0.000 0.665 833 A CB 1.532 20.494 19.000 -0.064 0.000 1.279 833 A HN 0.006 nan 8.150 nan 0.000 0.423 834 V N 0.662 120.506 119.914 -0.116 0.000 2.555 834 V HA 0.667 4.795 4.120 0.013 0.000 0.302 834 V C -0.852 175.137 176.094 -0.174 0.000 1.038 834 V CA -0.454 61.759 62.300 -0.145 0.000 0.887 834 V CB 1.435 33.170 31.823 -0.146 0.000 0.991 834 V HN 0.921 nan 8.190 nan 0.000 0.434 835 L N 6.114 127.224 121.223 -0.189 0.000 2.362 835 L HA 0.678 5.026 4.340 0.013 0.000 0.275 835 L C -0.995 175.721 176.870 -0.257 0.000 0.998 835 L CA -0.020 54.714 54.840 -0.176 0.000 0.820 835 L CB 1.431 43.417 42.059 -0.122 0.000 1.270 835 L HN 0.419 nan 8.230 nan 0.000 0.415 836 I N 3.996 124.409 120.570 -0.261 0.000 2.378 836 I HA 0.433 4.611 4.170 0.013 0.000 0.291 836 I C -0.207 175.859 176.117 -0.084 0.000 0.992 836 I CA -0.250 60.837 61.300 -0.355 0.000 1.154 836 I CB 1.646 39.169 38.000 -0.795 0.000 1.315 836 I HN 0.592 nan 8.210 nan 0.000 0.448 837 T N 4.748 119.260 114.554 -0.071 0.000 2.807 837 T HA 0.665 5.023 4.350 0.013 0.000 0.279 837 T C 0.139 174.871 174.700 0.053 0.000 0.993 837 T CA -0.523 61.588 62.100 0.018 0.000 0.970 837 T CB 1.875 70.730 68.868 -0.022 0.000 0.950 837 T HN 0.785 nan 8.240 nan 0.000 0.441 838 T N -0.615 114.007 114.554 0.113 0.000 2.896 838 T HA 0.873 5.230 4.350 0.013 0.000 0.297 838 T C -1.263 173.467 174.700 0.049 0.000 1.108 838 T CA -1.040 61.100 62.100 0.067 0.000 1.004 838 T CB 1.996 70.963 68.868 0.165 0.000 1.159 838 T HN 0.797 nan 8.240 nan 0.000 0.499 839 A N 1.337 124.104 122.820 -0.089 0.000 2.455 839 A HA 0.789 5.117 4.320 0.013 0.000 0.300 839 A C -1.414 176.034 177.584 -0.227 0.000 1.040 839 A CA -0.756 51.267 52.037 -0.023 0.000 0.697 839 A CB 0.961 19.966 19.000 0.007 0.000 1.265 839 A HN 1.015 nan 8.150 nan 0.000 0.407 840 H N -0.126 118.997 119.070 0.087 0.000 2.865 840 H HA 0.788 5.352 4.556 0.013 0.000 0.372 840 H C -0.076 175.256 175.328 0.006 0.000 1.173 840 H CA 0.251 56.267 56.048 -0.054 0.000 1.147 840 H CB 2.174 31.827 29.762 -0.182 0.000 1.805 840 H HN 1.003 nan 8.280 nan 0.000 0.553 841 A N 1.525 124.344 122.820 -0.002 0.000 2.355 841 A HA 0.416 4.744 4.320 0.013 0.000 0.317 841 A C -1.380 176.161 177.584 -0.072 0.000 1.094 841 A CA -0.689 51.395 52.037 0.078 0.000 0.764 841 A CB 1.097 20.132 19.000 0.059 0.000 1.230 841 A HN 0.566 nan 8.150 nan 0.000 0.448 842 W N 2.085 123.489 121.300 0.174 0.000 2.349 842 W HA 0.432 5.100 4.660 0.013 0.000 0.309 842 W C -0.360 176.187 176.519 0.047 0.000 1.083 842 W CA -0.086 57.361 57.345 0.169 0.000 1.224 842 W CB 1.637 31.267 29.460 0.283 0.000 1.256 842 W HN 0.782 nan 8.180 nan 0.000 0.461 843 Q N 1.539 121.457 119.800 0.197 0.000 2.458 843 Q HA 0.439 4.787 4.340 0.013 0.000 0.282 843 Q C -0.939 175.195 176.000 0.223 0.000 1.106 843 Q CA -0.920 54.968 55.803 0.141 0.000 0.814 843 Q CB 3.550 32.331 28.738 0.070 0.000 1.425 843 Q HN 0.375 nan 8.270 nan 0.000 0.437 844 H N 1.439 120.546 119.070 0.062 0.000 3.181 844 H HA 0.079 4.642 4.556 0.013 0.000 0.331 844 H C -0.849 174.512 175.328 0.055 0.000 0.988 844 H CA -0.075 56.019 56.048 0.077 0.000 1.449 844 H CB 0.985 30.807 29.762 0.101 0.000 1.749 844 H HN 0.806 nan 8.280 nan 0.000 0.501 845 Q N 3.253 122.805 119.800 -0.414 0.000 2.451 845 Q HA -0.239 4.109 4.340 0.013 0.000 0.305 845 Q C 0.892 176.832 176.000 -0.101 0.000 1.345 845 Q CA 1.168 56.798 55.803 -0.288 0.000 0.854 845 Q CB -1.498 27.014 28.738 -0.375 0.000 1.162 845 Q HN 1.184 nan 8.270 nan 0.000 0.440 846 G N -0.461 108.307 108.800 -0.054 0.000 2.217 846 G HA2 -0.339 3.628 3.960 0.013 0.000 0.246 846 G HA3 -0.339 3.628 3.960 0.013 0.000 0.246 846 G C 0.054 174.957 174.900 0.006 0.000 0.990 846 G CA 0.480 45.571 45.100 -0.017 0.000 0.627 846 G HN 0.331 nan 8.290 nan 0.000 0.522 847 K N 1.735 122.148 120.400 0.023 0.000 2.183 847 K HA 0.649 4.977 4.320 0.013 0.000 0.274 847 K C -0.037 176.577 176.600 0.024 0.000 1.009 847 K CA -0.114 56.191 56.287 0.030 0.000 0.888 847 K CB 0.946 33.477 32.500 0.052 0.000 1.078 847 K HN -0.001 nan 8.250 nan 0.000 0.459 848 T N 6.206 120.764 114.554 0.006 0.000 2.729 848 T HA 0.223 4.581 4.350 0.013 0.000 0.296 848 T C 1.044 175.692 174.700 -0.087 0.000 0.928 848 T CA -0.339 61.761 62.100 -0.000 0.000 1.045 848 T CB 0.318 69.201 68.868 0.026 0.000 0.902 848 T HN 0.547 nan 8.240 nan 0.000 0.500 849 L N 2.689 123.778 121.223 -0.223 0.000 2.145 849 L HA 0.362 4.710 4.340 0.013 0.000 0.201 849 L C -0.115 176.266 176.870 -0.815 0.000 1.075 849 L CA 0.807 55.235 54.840 -0.685 0.000 0.773 849 L CB 0.086 41.352 42.059 -1.321 0.000 0.936 849 L HN 0.527 nan 8.230 nan 0.000 0.451 850 F N -1.236 118.674 119.950 -0.066 0.000 2.631 850 F HA 0.559 5.094 4.527 0.013 0.000 0.308 850 F C -0.589 175.296 175.800 0.141 0.000 1.097 850 F CA -0.848 57.054 58.000 -0.163 0.000 0.952 850 F CB 1.869 40.379 39.000 -0.818 0.000 1.307 850 F HN -0.342 nan 8.300 nan 0.000 0.450 851 I N 1.494 122.271 120.570 0.346 0.000 2.498 851 I HA 0.407 4.584 4.170 0.013 0.000 0.290 851 I C -0.778 175.592 176.117 0.423 0.000 1.032 851 I CA -0.624 60.906 61.300 0.383 0.000 1.073 851 I CB 2.229 40.371 38.000 0.236 0.000 1.251 851 I HN 0.550 nan 8.210 nan 0.000 0.426 852 S N 6.623 122.665 115.700 0.570 0.000 2.498 852 S HA 0.590 5.068 4.470 0.013 0.000 0.317 852 S C -0.680 174.150 174.600 0.382 0.000 1.090 852 S CA -0.663 57.850 58.200 0.522 0.000 1.089 852 S CB 0.676 64.310 63.200 0.723 0.000 0.997 852 S HN 0.564 nan 8.310 nan 0.000 0.470 853 R N 3.394 124.046 120.500 0.253 0.000 2.494 853 R HA 0.615 4.962 4.340 0.013 0.000 0.305 853 R C -0.716 175.651 176.300 0.112 0.000 0.959 853 R CA -0.798 55.406 56.100 0.173 0.000 0.864 853 R CB 1.899 32.274 30.300 0.124 0.000 1.159 853 R HN 0.573 nan 8.270 nan 0.000 0.446 854 K N 0.520 120.977 120.400 0.095 0.000 2.469 854 K HA 0.493 4.821 4.320 0.013 0.000 0.268 854 K C -0.950 175.627 176.600 -0.039 0.000 1.027 854 K CA -0.959 55.311 56.287 -0.029 0.000 0.893 854 K CB 2.489 34.938 32.500 -0.085 0.000 1.460 854 K HN 0.654 nan 8.250 nan 0.000 0.449 855 T N -1.522 112.938 114.554 -0.157 0.000 2.900 855 T HA 0.582 4.940 4.350 0.013 0.000 0.295 855 T C -1.347 173.219 174.700 -0.224 0.000 1.044 855 T CA -0.762 61.288 62.100 -0.083 0.000 0.995 855 T CB 0.615 69.460 68.868 -0.039 0.000 1.072 855 T HN 0.399 nan 8.240 nan 0.000 0.473 856 Y N 0.564 120.840 120.300 -0.040 0.000 2.331 856 Y HA 0.632 5.189 4.550 0.013 0.000 0.334 856 Y C 0.422 176.261 175.900 -0.102 0.000 0.960 856 Y CA -1.074 57.021 58.100 -0.008 0.000 1.130 856 Y CB 1.988 40.475 38.460 0.045 0.000 1.164 856 Y HN 0.635 nan 8.280 nan 0.000 0.458 857 R N 4.520 125.051 120.500 0.051 0.000 2.337 857 R HA 0.620 4.968 4.340 0.013 0.000 0.319 857 R C -1.620 174.630 176.300 -0.084 0.000 0.954 857 R CA -0.469 55.610 56.100 -0.035 0.000 0.840 857 R CB 0.607 30.894 30.300 -0.022 0.000 1.164 857 R HN 0.785 nan 8.270 nan 0.000 0.472 858 I N 5.029 125.487 120.570 -0.186 0.000 2.330 858 I HA 0.166 4.343 4.170 0.013 0.000 0.289 858 I C -0.085 175.909 176.117 -0.206 0.000 1.001 858 I CA -0.660 60.445 61.300 -0.325 0.000 1.193 858 I CB 1.391 38.985 38.000 -0.677 0.000 1.345 858 I HN 0.662 nan 8.210 nan 0.000 0.461 859 D N 4.372 124.696 120.400 -0.127 0.000 2.487 859 D HA 0.236 4.883 4.640 0.013 0.000 0.262 859 D C 1.274 177.564 176.300 -0.016 0.000 1.130 859 D CA -0.749 53.219 54.000 -0.054 0.000 1.038 859 D CB 0.982 41.773 40.800 -0.016 0.000 1.142 859 D HN 0.473 nan 8.370 nan 0.000 0.575 860 G N -1.401 107.405 108.800 0.011 0.000 2.625 860 G HA2 -0.139 3.829 3.960 0.013 0.000 0.214 860 G HA3 -0.139 3.829 3.960 0.013 0.000 0.214 860 G C 1.084 176.030 174.900 0.076 0.000 1.132 860 G CA 0.906 46.033 45.100 0.046 0.000 0.782 860 G HN 0.535 nan 8.290 nan 0.000 0.538 861 S N -1.267 114.475 115.700 0.070 0.000 2.575 861 S HA 0.387 4.865 4.470 0.013 0.000 0.215 861 S C 1.783 176.460 174.600 0.128 0.000 0.966 861 S CA 0.875 59.134 58.200 0.099 0.000 0.911 861 S CB 0.175 63.427 63.200 0.086 0.000 0.780 861 S HN 1.363 nan 8.310 nan 0.000 0.514 862 G N 0.699 109.581 108.800 0.136 0.000 2.175 862 G HA2 -0.220 3.747 3.960 0.013 0.000 0.244 862 G HA3 -0.220 3.747 3.960 0.013 0.000 0.244 862 G C -0.168 174.886 174.900 0.257 0.000 0.982 862 G CA -0.026 45.224 45.100 0.250 0.000 0.641 862 G HN 0.597 nan 8.290 nan 0.000 0.527 863 Q N -0.347 119.541 119.800 0.146 0.000 2.260 863 Q HA 0.653 5.000 4.340 0.013 0.000 0.242 863 Q C 0.176 176.229 176.000 0.088 0.000 0.932 863 Q CA -0.209 55.689 55.803 0.158 0.000 0.891 863 Q CB 1.517 30.333 28.738 0.129 0.000 1.222 863 Q HN 0.431 nan 8.270 nan 0.000 0.453 864 M N 1.637 121.335 119.600 0.164 0.000 2.085 864 M HA 0.491 4.978 4.480 0.013 0.000 0.309 864 M C -1.542 174.875 176.300 0.194 0.000 0.947 864 M CA -0.511 54.857 55.300 0.113 0.000 0.918 864 M CB 1.183 33.871 32.600 0.146 0.000 1.504 864 M HN 0.713 nan 8.290 nan 0.000 0.420 865 A N 6.718 129.610 122.820 0.121 0.000 2.276 865 A HA 0.677 5.004 4.320 0.013 0.000 0.300 865 A C -0.761 176.871 177.584 0.080 0.000 1.235 865 A CA -0.526 51.580 52.037 0.114 0.000 0.867 865 A CB 0.098 19.140 19.000 0.071 0.000 1.137 865 A HN 0.920 nan 8.150 nan 0.000 0.527 866 I N 2.349 122.957 120.570 0.063 0.000 2.378 866 I HA 0.316 4.493 4.170 0.013 0.000 0.291 866 I C -0.155 175.870 176.117 -0.153 0.000 0.992 866 I CA -0.203 61.034 61.300 -0.105 0.000 1.154 866 I CB 2.204 40.166 38.000 -0.063 0.000 1.315 866 I HN 0.505 nan 8.210 nan 0.000 0.448 867 T N 5.774 120.196 114.554 -0.220 0.000 2.779 867 T HA 0.537 4.895 4.350 0.013 0.000 0.280 867 T C -0.296 174.208 174.700 -0.328 0.000 0.987 867 T CA -0.469 61.499 62.100 -0.220 0.000 0.966 867 T CB 1.673 70.503 68.868 -0.062 0.000 0.933 867 T HN 0.195 nan 8.240 nan 0.000 0.442 868 V N 3.767 123.353 119.914 -0.545 0.000 2.540 868 V HA 0.483 4.611 4.120 0.013 0.000 0.302 868 V C -0.675 175.224 176.094 -0.326 0.000 1.035 868 V CA -0.903 61.097 62.300 -0.500 0.000 0.873 868 V CB 2.036 33.265 31.823 -0.989 0.000 0.992 868 V HN 0.857 nan 8.190 nan 0.000 0.428 869 D N 3.433 123.811 120.400 -0.036 0.000 2.549 869 D HA 0.506 5.154 4.640 0.013 0.000 0.251 869 D C -1.062 175.349 176.300 0.185 0.000 1.153 869 D CA -0.116 53.962 54.000 0.129 0.000 0.861 869 D CB 2.761 43.667 40.800 0.177 0.000 1.207 869 D HN 0.251 nan 8.370 nan 0.000 0.543 870 V N 2.299 122.362 119.914 0.248 0.000 2.628 870 V HA 0.291 4.419 4.120 0.013 0.000 0.306 870 V C 0.088 176.326 176.094 0.240 0.000 1.045 870 V CA -0.725 61.740 62.300 0.276 0.000 0.905 870 V CB 2.468 34.498 31.823 0.345 0.000 0.997 870 V HN 0.362 nan 8.190 nan 0.000 0.436 871 E N 2.543 122.870 120.200 0.211 0.000 2.183 871 E HA 0.613 4.971 4.350 0.013 0.000 0.271 871 E C -1.492 175.225 176.600 0.195 0.000 0.919 871 E CA -0.604 55.902 56.400 0.175 0.000 0.781 871 E CB 2.577 32.361 29.700 0.140 0.000 1.140 871 E HN 0.397 nan 8.360 nan 0.000 0.402 872 V N 2.289 122.323 119.914 0.200 0.000 2.407 872 V HA 0.327 4.454 4.120 0.013 0.000 0.291 872 V C 0.093 176.280 176.094 0.155 0.000 1.018 872 V CA -0.893 61.548 62.300 0.236 0.000 0.842 872 V CB 1.408 33.411 31.823 0.299 0.000 0.996 872 V HN 0.842 nan 8.190 nan 0.000 0.426 873 A N 3.697 126.560 122.820 0.072 0.000 2.567 873 A HA 0.218 4.545 4.320 0.013 0.000 0.240 873 A C 1.661 179.314 177.584 0.114 0.000 1.053 873 A CA 0.713 52.785 52.037 0.057 0.000 0.755 873 A CB 0.218 19.212 19.000 -0.009 0.000 0.978 873 A HN 1.366 nan 8.150 nan 0.000 0.507 874 S N 1.297 117.063 115.700 0.111 0.000 2.442 874 S HA -0.158 4.320 4.470 0.013 0.000 0.236 874 S C 0.963 175.646 174.600 0.138 0.000 1.007 874 S CA 1.316 59.603 58.200 0.145 0.000 0.965 874 S CB -0.273 62.992 63.200 0.108 0.000 0.773 874 S HN 0.837 nan 8.310 nan 0.000 0.504 875 D N 0.350 120.805 120.400 0.090 0.000 2.339 875 D HA 0.124 4.772 4.640 0.013 0.000 0.217 875 D C 0.601 176.938 176.300 0.063 0.000 1.050 875 D CA 0.085 54.123 54.000 0.063 0.000 0.856 875 D CB -0.411 40.412 40.800 0.039 0.000 0.922 875 D HN 0.325 nan 8.370 nan 0.000 0.518 876 T N 0.903 115.518 114.554 0.101 0.000 2.934 876 T HA 0.425 4.782 4.350 0.013 0.000 0.283 876 T C -2.613 172.198 174.700 0.185 0.000 1.005 876 T CA -1.957 60.226 62.100 0.138 0.000 1.041 876 T CB 1.178 70.138 68.868 0.154 0.000 1.042 876 T HN -0.185 nan 8.240 nan 0.000 0.505 877 P HA 0.115 nan 4.420 nan 0.000 0.266 877 P C -0.631 176.989 177.300 0.533 0.000 1.195 877 P CA 0.107 63.332 63.100 0.207 0.000 0.768 877 P CB -0.085 31.745 31.700 0.218 0.000 0.838 878 H N 3.567 123.015 119.070 0.630 0.000 3.094 878 H HA 0.052 4.616 4.556 0.013 0.000 0.320 878 H C -1.611 174.066 175.328 0.583 0.000 1.000 878 H CA -1.189 55.166 56.048 0.511 0.000 1.413 878 H CB -0.420 29.584 29.762 0.404 0.000 1.405 878 H HN 0.391 nan 8.280 nan 0.000 0.586 879 P HA 0.047 nan 4.420 nan 0.000 0.276 879 P C 0.119 177.306 177.300 -0.188 0.000 1.252 879 P CA -0.378 62.796 63.100 0.124 0.000 0.802 879 P CB 1.149 32.779 31.700 -0.117 0.000 1.035 880 A N 2.641 125.058 122.820 -0.671 0.000 1.933 880 A HA -0.098 4.229 4.320 0.013 0.000 0.218 880 A C 1.052 178.247 177.584 -0.647 0.000 1.175 880 A CA 1.390 53.001 52.037 -0.710 0.000 0.628 880 A CB -0.541 17.839 19.000 -1.033 0.000 0.814 880 A HN 0.741 nan 8.150 nan 0.000 0.444 881 R N -3.006 117.148 120.500 -0.577 0.000 2.747 881 R HA 0.774 5.122 4.340 0.013 0.000 0.272 881 R C -1.595 174.459 176.300 -0.410 0.000 1.032 881 R CA -0.808 54.973 56.100 -0.531 0.000 0.896 881 R CB 1.008 30.973 30.300 -0.559 0.000 1.253 881 R HN 0.001 nan 8.270 nan 0.000 0.461 882 I N 0.824 121.186 120.570 -0.347 0.000 2.517 882 I HA 0.623 4.800 4.170 0.013 0.000 0.280 882 I C -0.594 175.293 176.117 -0.383 0.000 1.061 882 I CA -0.314 60.812 61.300 -0.290 0.000 1.091 882 I CB 1.939 39.848 38.000 -0.151 0.000 1.205 882 I HN 0.958 nan 8.210 nan 0.000 0.459 883 G N 5.801 114.309 108.800 -0.487 0.000 2.619 883 G HA2 0.736 4.704 3.960 0.013 0.000 0.305 883 G HA3 0.736 4.704 3.960 0.013 0.000 0.305 883 G C -1.753 172.973 174.900 -0.290 0.000 1.330 883 G CA -0.578 44.272 45.100 -0.418 0.000 0.789 883 G HN 0.266 nan 8.290 nan 0.000 0.487 884 L N 0.717 121.825 121.223 -0.192 0.000 2.301 884 L HA 0.663 5.011 4.340 0.013 0.000 0.264 884 L C -0.652 176.119 176.870 -0.165 0.000 1.016 884 L CA -1.152 53.611 54.840 -0.129 0.000 0.821 884 L CB 2.439 44.504 42.059 0.010 0.000 1.346 884 L HN 0.783 nan 8.230 nan 0.000 0.429 885 N N 0.622 119.253 118.700 -0.116 0.000 2.494 885 N HA 0.669 5.417 4.740 0.013 0.000 0.270 885 N C -1.345 174.171 175.510 0.010 0.000 1.285 885 N CA -0.498 52.516 53.050 -0.060 0.000 0.812 885 N CB 2.413 40.871 38.487 -0.048 0.000 1.557 885 N HN 0.840 nan 8.380 nan 0.000 0.487 886 C N -0.790 118.534 119.300 0.040 0.000 3.307 886 C HA 0.567 5.035 4.460 0.013 0.000 0.333 886 C C -1.158 173.672 174.990 -0.266 0.000 1.291 886 C CA -0.846 58.145 59.018 -0.045 0.000 1.273 886 C CB 0.997 28.739 27.740 0.003 0.000 1.580 886 C HN 0.844 nan 8.230 nan 0.000 0.481 887 Q N 1.487 120.914 119.800 -0.622 0.000 2.347 887 Q HA 0.662 5.010 4.340 0.013 0.000 0.262 887 Q C -0.965 174.748 176.000 -0.479 0.000 0.980 887 Q CA -0.443 54.749 55.803 -1.018 0.000 0.867 887 Q CB 0.918 28.658 28.738 -1.664 0.000 1.242 887 Q HN 0.772 nan 8.270 nan 0.000 0.453 888 L N 2.404 123.454 121.223 -0.288 0.000 2.436 888 L HA 0.259 4.607 4.340 0.013 0.000 0.265 888 L C 1.196 178.006 176.870 -0.101 0.000 1.168 888 L CA -0.145 54.642 54.840 -0.088 0.000 0.815 888 L CB 0.743 42.856 42.059 0.089 0.000 1.109 888 L HN 0.818 nan 8.230 nan 0.000 0.462 889 A N 1.628 124.414 122.820 -0.056 0.000 2.014 889 A HA -0.089 4.239 4.320 0.013 0.000 0.218 889 A C 1.040 178.606 177.584 -0.030 0.000 1.163 889 A CA 0.599 52.591 52.037 -0.074 0.000 0.652 889 A CB -0.254 18.693 19.000 -0.088 0.000 0.808 889 A HN 0.785 nan 8.150 nan 0.000 0.449 890 Q N -0.337 119.479 119.800 0.027 0.000 2.306 890 Q HA 0.486 4.834 4.340 0.013 0.000 0.241 890 Q C -1.233 174.798 176.000 0.052 0.000 0.948 890 Q CA -0.063 55.748 55.803 0.014 0.000 0.886 890 Q CB 1.221 29.974 28.738 0.025 0.000 1.227 890 Q HN 0.084 nan 8.270 nan 0.000 0.457 891 V N 3.150 123.061 119.914 -0.005 0.000 2.409 891 V HA 0.755 4.883 4.120 0.013 0.000 0.290 891 V C -0.671 175.390 176.094 -0.055 0.000 1.017 891 V CA -0.332 61.996 62.300 0.046 0.000 0.841 891 V CB 0.944 32.781 31.823 0.024 0.000 1.003 891 V HN 0.908 nan 8.190 nan 0.000 0.426 892 A N 3.271 126.003 122.820 -0.148 0.000 2.330 892 A HA 0.729 5.056 4.320 0.013 0.000 0.329 892 A C 0.709 178.294 177.584 0.002 0.000 1.135 892 A CA -0.473 51.416 52.037 -0.246 0.000 0.817 892 A CB 1.135 19.720 19.000 -0.691 0.000 1.269 892 A HN 0.811 nan 8.150 nan 0.000 0.469 893 E N 0.030 120.229 120.200 -0.002 0.000 2.158 893 E HA -0.038 4.319 4.350 0.013 0.000 0.191 893 E C 0.191 176.861 176.600 0.118 0.000 0.982 893 E CA 0.714 57.148 56.400 0.057 0.000 0.823 893 E CB 0.132 29.848 29.700 0.027 0.000 0.766 893 E HN 0.436 nan 8.360 nan 0.000 0.468 894 R N 0.243 120.823 120.500 0.132 0.000 2.892 894 R HA 0.527 4.874 4.340 0.013 0.000 0.265 894 R C -0.768 175.719 176.300 0.311 0.000 1.025 894 R CA -0.880 55.332 56.100 0.187 0.000 0.982 894 R CB 1.717 32.098 30.300 0.135 0.000 1.185 894 R HN -0.172 nan 8.270 nan 0.000 0.484 895 V N 1.929 122.035 119.914 0.320 0.000 2.483 895 V HA 0.346 4.474 4.120 0.013 0.000 0.297 895 V C -0.319 176.046 176.094 0.452 0.000 1.027 895 V CA -0.931 61.593 62.300 0.373 0.000 0.855 895 V CB 1.766 33.747 31.823 0.263 0.000 0.995 895 V HN 0.641 nan 8.190 nan 0.000 0.424 896 N N 4.781 123.722 118.700 0.402 0.000 2.354 896 N HA 0.510 5.258 4.740 0.013 0.000 0.287 896 N C -1.333 174.427 175.510 0.416 0.000 1.016 896 N CA -0.433 52.822 53.050 0.343 0.000 0.871 896 N CB 2.510 41.094 38.487 0.163 0.000 1.299 896 N HN 0.805 nan 8.380 nan 0.000 0.482 897 W N 3.378 124.714 121.300 0.060 0.000 3.107 897 W HA 0.585 5.253 4.660 0.013 0.000 0.331 897 W C -1.955 174.527 176.519 -0.062 0.000 1.204 897 W CA -1.160 56.192 57.345 0.011 0.000 1.184 897 W CB 0.728 30.215 29.460 0.046 0.000 1.421 897 W HN 0.221 nan 8.180 nan 0.000 0.544 898 L N 4.475 125.681 121.223 -0.029 0.000 2.283 898 L HA 0.897 5.244 4.340 0.013 0.000 0.281 898 L C 0.003 176.657 176.870 -0.359 0.000 1.033 898 L CA 0.355 54.992 54.840 -0.338 0.000 0.848 898 L CB 0.453 42.403 42.059 -0.181 0.000 1.226 898 L HN 0.982 nan 8.230 nan 0.000 0.429 899 G N 3.578 112.024 108.800 -0.590 0.000 2.335 899 G HA2 0.199 4.167 3.960 0.013 0.000 0.291 899 G HA3 0.199 4.167 3.960 0.013 0.000 0.291 899 G C -1.552 173.308 174.900 -0.066 0.000 1.261 899 G CA -1.056 43.863 45.100 -0.301 0.000 0.871 899 G HN 0.401 nan 8.290 nan 0.000 0.491 900 L N 1.110 122.453 121.223 0.201 0.000 2.416 900 L HA 0.572 4.920 4.340 0.013 0.000 0.272 900 L C 1.105 178.074 176.870 0.165 0.000 1.161 900 L CA 0.906 55.851 54.840 0.174 0.000 0.845 900 L CB 0.489 42.609 42.059 0.101 0.000 1.119 900 L HN 1.187 nan 8.230 nan 0.000 0.464 901 G N 2.936 111.625 108.800 -0.186 0.000 2.348 901 G HA2 0.241 4.208 3.960 0.013 0.000 0.296 901 G HA3 0.241 4.208 3.960 0.013 0.000 0.296 901 G C -2.752 171.356 174.900 -1.320 0.000 1.258 901 G CA -0.269 44.405 45.100 -0.709 0.000 0.868 901 G HN 0.315 nan 8.290 nan 0.000 0.488 902 P HA 0.093 nan 4.420 nan 0.000 0.235 902 P C 0.442 177.558 177.300 -0.308 0.000 1.177 902 P CA 0.549 63.008 63.100 -1.067 0.000 0.785 902 P CB 0.508 31.675 31.700 -0.887 0.000 0.885 903 Q N 0.529 120.138 119.800 -0.318 0.000 2.318 903 Q HA 0.149 4.496 4.340 0.013 0.000 0.222 903 Q C 0.406 176.292 176.000 -0.190 0.000 1.003 903 Q CA -0.572 55.113 55.803 -0.196 0.000 0.936 903 Q CB 0.703 29.343 28.738 -0.162 0.000 1.204 903 Q HN 0.127 nan 8.270 nan 0.000 0.524 904 E N 1.187 121.280 120.200 -0.178 0.000 2.502 904 E HA -0.101 4.256 4.350 0.013 0.000 0.261 904 E C -1.145 175.368 176.600 -0.145 0.000 0.974 904 E CA 0.289 56.571 56.400 -0.196 0.000 0.936 904 E CB 0.278 29.926 29.700 -0.087 0.000 0.926 904 E HN 0.606 nan 8.360 nan 0.000 0.459 905 N N 2.516 121.059 118.700 -0.261 0.000 2.371 905 N HA 0.297 5.045 4.740 0.013 0.000 0.280 905 N C -1.863 173.443 175.510 -0.340 0.000 1.084 905 N CA -0.679 52.275 53.050 -0.160 0.000 0.892 905 N CB 0.689 39.098 38.487 -0.130 0.000 1.653 905 N HN 0.230 nan 8.380 nan 0.000 0.480 906 Y N 0.365 120.575 120.300 -0.151 0.000 2.630 906 Y HA 0.510 5.068 4.550 0.013 0.000 0.337 906 Y C -1.604 174.222 175.900 -0.123 0.000 1.051 906 Y CA -2.078 55.919 58.100 -0.171 0.000 1.121 906 Y CB 1.825 40.180 38.460 -0.175 0.000 1.299 906 Y HN 0.438 nan 8.280 nan 0.000 0.498 907 P HA -0.190 nan 4.420 nan 0.000 0.216 907 P C 0.367 177.526 177.300 -0.235 0.000 1.154 907 P CA 2.195 65.331 63.100 0.060 0.000 0.865 907 P CB 0.197 32.055 31.700 0.264 0.000 0.789 908 D N -2.527 117.521 120.400 -0.587 0.000 2.349 908 D HA 0.001 4.649 4.640 0.013 0.000 0.214 908 D C 0.793 176.936 176.300 -0.262 0.000 1.063 908 D CA 0.165 53.608 54.000 -0.928 0.000 0.847 908 D CB -0.251 39.819 40.800 -1.218 0.000 0.933 908 D HN 0.127 nan 8.370 nan 0.000 0.513 909 R N 1.093 121.539 120.500 -0.090 0.000 2.684 909 R HA 0.195 4.543 4.340 0.013 0.000 0.252 909 R C -0.578 175.752 176.300 0.050 0.000 1.628 909 R CA -0.166 55.949 56.100 0.025 0.000 1.622 909 R CB 0.082 30.404 30.300 0.036 0.000 1.418 909 R HN 0.105 nan 8.270 nan 0.000 0.697 910 L N -1.563 119.696 121.223 0.061 0.000 3.259 910 L HA 0.340 4.688 4.340 0.013 0.000 0.292 910 L C 1.346 178.271 176.870 0.092 0.000 1.219 910 L CA 0.256 55.131 54.840 0.058 0.000 1.035 910 L CB 0.115 42.200 42.059 0.043 0.000 1.424 910 L HN 0.104 nan 8.230 nan 0.000 0.603 911 T N -2.581 112.055 114.554 0.137 0.000 2.867 911 T HA -0.004 4.353 4.350 0.013 0.000 0.268 911 T C 1.812 176.544 174.700 0.053 0.000 1.057 911 T CA 1.311 63.513 62.100 0.170 0.000 1.136 911 T CB -0.395 68.635 68.868 0.270 0.000 0.874 911 T HN 0.393 nan 8.240 nan 0.000 0.466 912 A N 1.734 124.592 122.820 0.064 0.000 2.066 912 A HA 0.606 4.933 4.320 0.013 0.000 0.218 912 A C 1.658 179.304 177.584 0.104 0.000 1.157 912 A CA 0.617 52.635 52.037 -0.032 0.000 0.670 912 A CB -1.012 18.118 19.000 0.216 0.000 0.804 912 A HN 0.854 nan 8.150 nan 0.000 0.453 913 A N -1.148 121.690 122.820 0.031 0.000 2.407 913 A HA 0.446 4.774 4.320 0.013 0.000 0.248 913 A C 0.052 177.648 177.584 0.021 0.000 1.082 913 A CA -0.037 51.983 52.037 -0.028 0.000 0.785 913 A CB -0.118 18.858 19.000 -0.040 0.000 1.020 913 A HN 0.487 nan 8.150 nan 0.000 0.489 914 C N 0.462 119.768 119.300 0.009 0.000 2.614 914 C HA 0.566 5.034 4.460 0.013 0.000 0.320 914 C C -0.155 174.906 174.990 0.119 0.000 1.200 914 C CA -0.503 58.562 59.018 0.077 0.000 1.700 914 C CB 0.919 28.723 27.740 0.107 0.000 2.275 914 C HN 0.795 nan 8.230 nan 0.000 0.492 915 F N 3.437 123.179 119.950 -0.346 0.000 2.424 915 F HA 0.508 5.043 4.527 0.013 0.000 0.356 915 F C 0.284 175.734 175.800 -0.584 0.000 1.110 915 F CA 1.062 58.735 58.000 -0.546 0.000 1.161 915 F CB 0.032 38.189 39.000 -1.406 0.000 1.115 915 F HN 0.626 nan 8.300 nan 0.000 0.507 916 D N 3.351 123.186 120.400 -0.943 0.000 2.865 916 D HA 0.182 4.830 4.640 0.013 0.000 0.343 916 D C -1.663 173.784 176.300 -1.422 0.000 1.372 916 D CA -0.715 52.625 54.000 -1.100 0.000 0.862 916 D CB 1.503 41.555 40.800 -1.248 0.000 1.425 916 D HN 0.496 nan 8.370 nan 0.000 0.501 917 R N 0.785 120.539 120.500 -1.243 0.000 2.198 917 R HA 0.506 4.854 4.340 0.013 0.000 0.339 917 R C -1.369 174.209 176.300 -1.204 0.000 1.020 917 R CA -0.218 55.295 56.100 -0.978 0.000 0.864 917 R CB 0.122 30.091 30.300 -0.552 0.000 1.105 917 R HN 0.268 nan 8.270 nan 0.000 0.463 918 W N 2.534 123.327 121.300 -0.846 0.000 2.639 918 W HA 0.435 5.103 4.660 0.013 0.000 0.347 918 W C -0.393 175.774 176.519 -0.587 0.000 1.067 918 W CA -0.650 56.155 57.345 -0.900 0.000 1.218 918 W CB 1.614 30.065 29.460 -1.681 0.000 1.393 918 W HN 0.382 nan 8.180 nan 0.000 0.557 919 D N 2.476 122.853 120.400 -0.037 0.000 2.616 919 D HA 0.413 5.060 4.640 0.013 0.000 0.238 919 D C -1.482 174.921 176.300 0.172 0.000 1.354 919 D CA -0.134 53.929 54.000 0.106 0.000 0.970 919 D CB 1.052 41.870 40.800 0.031 0.000 1.369 919 D HN 0.353 nan 8.370 nan 0.000 0.585 920 L N 2.961 124.355 121.223 0.284 0.000 2.327 920 L HA 0.575 4.923 4.340 0.013 0.000 0.258 920 L C -2.281 174.701 176.870 0.187 0.000 1.024 920 L CA -2.153 52.820 54.840 0.223 0.000 0.825 920 L CB 2.710 44.948 42.059 0.299 0.000 1.386 920 L HN 0.186 nan 8.230 nan 0.000 0.417 921 P HA 0.028 nan 4.420 nan 0.000 0.271 921 P C 0.573 177.944 177.300 0.119 0.000 1.218 921 P CA -0.359 62.807 63.100 0.111 0.000 0.780 921 P CB 1.010 32.756 31.700 0.077 0.000 0.901 922 L N 3.700 124.999 121.223 0.127 0.000 2.051 922 L HA -0.272 4.075 4.340 0.013 0.000 0.214 922 L C 2.272 179.183 176.870 0.067 0.000 1.076 922 L CA 2.838 57.742 54.840 0.107 0.000 0.758 922 L CB -1.559 40.577 42.059 0.128 0.000 0.890 922 L HN 0.467 nan 8.230 nan 0.000 0.433 923 S N -2.076 113.667 115.700 0.071 0.000 2.442 923 S HA -0.153 4.325 4.470 0.013 0.000 0.236 923 S C 1.583 176.243 174.600 0.102 0.000 1.007 923 S CA 1.041 59.296 58.200 0.092 0.000 0.965 923 S CB -0.706 62.546 63.200 0.086 0.000 0.773 923 S HN 0.523 nan 8.310 nan 0.000 0.504 924 D N 1.090 121.528 120.400 0.064 0.000 2.363 924 D HA 0.116 4.764 4.640 0.013 0.000 0.220 924 D C 1.186 177.482 176.300 -0.008 0.000 0.994 924 D CA 0.557 54.574 54.000 0.028 0.000 0.890 924 D CB -0.096 40.727 40.800 0.039 0.000 0.906 924 D HN 0.381 nan 8.370 nan 0.000 0.530 925 M N -0.434 119.169 119.600 0.004 0.000 2.561 925 M HA 0.060 4.547 4.480 0.013 0.000 0.238 925 M C -0.032 176.256 176.300 -0.019 0.000 1.131 925 M CA -0.011 55.243 55.300 -0.077 0.000 1.046 925 M CB -0.786 31.753 32.600 -0.101 0.000 1.532 925 M HN -0.044 nan 8.290 nan 0.000 0.497 926 Y N -0.130 120.120 120.300 -0.084 0.000 2.409 926 Y HA 0.524 5.082 4.550 0.013 0.000 0.343 926 Y C -0.838 175.011 175.900 -0.084 0.000 0.973 926 Y CA -0.949 57.124 58.100 -0.044 0.000 1.064 926 Y CB 1.355 39.850 38.460 0.059 0.000 1.207 926 Y HN -0.137 nan 8.280 nan 0.000 0.452 927 T N 8.774 122.870 114.554 -0.763 0.000 2.758 927 T HA 0.320 4.678 4.350 0.013 0.000 0.285 927 T C -2.769 171.163 174.700 -1.280 0.000 0.981 927 T CA -1.534 60.035 62.100 -0.884 0.000 0.965 927 T CB 1.257 69.672 68.868 -0.755 0.000 0.927 927 T HN 0.457 nan 8.240 nan 0.000 0.448 928 P HA 0.191 nan 4.420 nan 0.000 0.219 928 P C -0.714 176.435 177.300 -0.252 0.000 1.832 928 P CA -0.491 62.185 63.100 -0.706 0.000 1.014 928 P CB -0.628 30.795 31.700 -0.461 0.000 1.939 929 Y N -0.040 120.203 120.300 -0.095 0.000 2.610 929 Y HA -0.095 4.463 4.550 0.013 0.000 0.332 929 Y C 2.285 178.251 175.900 0.110 0.000 1.201 929 Y CA -0.506 57.616 58.100 0.038 0.000 1.465 929 Y CB 0.661 39.078 38.460 -0.071 0.000 1.283 929 Y HN -0.057 nan 8.280 nan 0.000 0.563 930 V N 3.538 123.693 119.914 0.402 0.000 2.282 930 V HA -0.317 3.810 4.120 0.013 0.000 0.249 930 V C 0.535 176.813 176.094 0.306 0.000 1.057 930 V CA 1.516 64.024 62.300 0.347 0.000 1.032 930 V CB -0.522 31.539 31.823 0.397 0.000 0.645 930 V HN 0.583 nan 8.190 nan 0.000 0.447 931 F N 3.061 123.067 119.950 0.094 0.000 2.350 931 F HA 0.495 5.030 4.527 0.013 0.000 0.365 931 F C -2.434 173.381 175.800 0.024 0.000 1.122 931 F CA -3.354 54.645 58.000 -0.001 0.000 1.139 931 F CB 0.726 39.624 39.000 -0.170 0.000 1.220 931 F HN 0.006 nan 8.300 nan 0.000 0.499 932 P HA 0.215 nan 4.420 nan 0.000 0.268 932 P C -0.981 176.079 177.300 -0.401 0.000 1.205 932 P CA 0.143 63.047 63.100 -0.325 0.000 0.771 932 P CB 1.186 32.690 31.700 -0.327 0.000 0.858 933 S N 0.265 115.898 115.700 -0.113 0.000 2.757 933 S HA 0.462 4.939 4.470 0.013 0.000 0.285 933 S C -0.765 173.844 174.600 0.014 0.000 1.196 933 S CA -0.940 57.222 58.200 -0.064 0.000 0.856 933 S CB 0.408 63.604 63.200 -0.007 0.000 1.212 933 S HN 0.325 nan 8.310 nan 0.000 0.516 934 E N 1.205 121.422 120.200 0.028 0.000 2.502 934 E HA 0.363 4.721 4.350 0.013 0.000 0.261 934 E C -0.219 176.443 176.600 0.103 0.000 0.974 934 E CA 0.790 57.232 56.400 0.069 0.000 0.936 934 E CB -0.259 29.505 29.700 0.107 0.000 0.926 934 E HN 0.795 nan 8.360 nan 0.000 0.459 935 N N 1.437 120.234 118.700 0.162 0.000 3.046 935 N HA 0.491 5.239 4.740 0.013 0.000 0.243 935 N C 0.158 175.737 175.510 0.116 0.000 1.452 935 N CA -0.566 52.620 53.050 0.226 0.000 0.882 935 N CB 0.945 39.568 38.487 0.226 0.000 1.425 935 N HN 0.726 nan 8.380 nan 0.000 0.517 936 G N -1.262 107.562 108.800 0.039 0.000 2.179 936 G HA2 -0.260 3.707 3.960 0.013 0.000 0.260 936 G HA3 -0.260 3.707 3.960 0.013 0.000 0.260 936 G C -0.197 174.437 174.900 -0.444 0.000 0.977 936 G CA 0.339 45.330 45.100 -0.181 0.000 0.641 936 G HN 0.721 nan 8.290 nan 0.000 0.533 937 L N 0.207 121.088 121.223 -0.570 0.000 2.506 937 L HA 0.639 4.986 4.340 0.013 0.000 0.281 937 L C 0.665 176.948 176.870 -0.977 0.000 1.228 937 L CA 0.484 54.747 54.840 -0.961 0.000 0.850 937 L CB 0.497 41.633 42.059 -1.538 0.000 1.110 937 L HN 0.266 nan 8.230 nan 0.000 0.496 938 R N 2.619 122.461 120.500 -1.097 0.000 2.513 938 R HA 0.490 4.837 4.340 0.013 0.000 0.301 938 R C -0.937 175.017 176.300 -0.577 0.000 0.968 938 R CA -0.286 55.301 56.100 -0.855 0.000 0.872 938 R CB 1.414 31.061 30.300 -1.089 0.000 1.177 938 R HN 0.694 nan 8.270 nan 0.000 0.444 939 C N 0.346 119.452 119.300 -0.322 0.000 2.352 939 C HA 0.699 5.166 4.460 0.013 0.000 0.387 939 C C 1.415 176.386 174.990 -0.032 0.000 1.294 939 C CA 0.159 59.072 59.018 -0.176 0.000 2.137 939 C CB 1.249 28.911 27.740 -0.129 0.000 2.146 939 C HN 1.034 nan 8.230 nan 0.000 0.559 940 G N 1.554 110.353 108.800 -0.002 0.000 2.283 940 G HA2 -0.198 3.770 3.960 0.013 0.000 0.280 940 G HA3 -0.198 3.770 3.960 0.013 0.000 0.280 940 G C 0.007 174.963 174.900 0.094 0.000 1.029 940 G CA 0.670 45.825 45.100 0.091 0.000 0.840 940 G HN 0.790 nan 8.290 nan 0.000 0.505 941 T N -0.070 114.412 114.554 -0.119 0.000 2.817 941 T HA 0.508 4.866 4.350 0.013 0.000 0.293 941 T C 1.355 175.743 174.700 -0.521 0.000 0.964 941 T CA -0.482 61.473 62.100 -0.241 0.000 1.085 941 T CB 1.258 70.013 68.868 -0.187 0.000 0.921 941 T HN 0.199 nan 8.240 nan 0.000 0.502 942 R N 1.494 121.893 120.500 -0.167 0.000 2.279 942 R HA 0.305 4.653 4.340 0.013 0.000 0.195 942 R C 0.514 176.839 176.300 0.042 0.000 0.905 942 R CA 0.211 56.290 56.100 -0.035 0.000 1.044 942 R CB 0.355 30.769 30.300 0.191 0.000 1.056 942 R HN 0.692 nan 8.270 nan 0.000 0.535 943 E N 0.415 120.642 120.200 0.044 0.000 2.335 943 E HA 0.340 4.698 4.350 0.013 0.000 0.280 943 E C -1.843 174.882 176.600 0.208 0.000 0.918 943 E CA -0.687 55.824 56.400 0.185 0.000 0.765 943 E CB 1.572 31.350 29.700 0.131 0.000 1.218 943 E HN -0.095 nan 8.360 nan 0.000 0.425 944 L N 4.141 125.547 121.223 0.305 0.000 2.409 944 L HA 0.577 4.925 4.340 0.013 0.000 0.272 944 L C -1.834 175.223 176.870 0.310 0.000 0.980 944 L CA -0.393 54.564 54.840 0.196 0.000 0.826 944 L CB 1.674 43.699 42.059 -0.058 0.000 1.268 944 L HN 0.458 nan 8.230 nan 0.000 0.407 945 N N 4.442 123.297 118.700 0.259 0.000 2.342 945 N HA 0.423 5.171 4.740 0.013 0.000 0.293 945 N C -1.955 173.776 175.510 0.368 0.000 1.026 945 N CA -0.280 52.920 53.050 0.251 0.000 0.857 945 N CB 2.235 40.816 38.487 0.157 0.000 1.256 945 N HN 0.585 nan 8.380 nan 0.000 0.484 946 Y N 1.095 121.527 120.300 0.220 0.000 2.298 946 Y HA 0.393 4.951 4.550 0.013 0.000 0.322 946 Y C 0.601 176.607 175.900 0.175 0.000 1.138 946 Y CA 0.078 58.311 58.100 0.221 0.000 1.127 946 Y CB 0.549 39.203 38.460 0.324 0.000 1.178 946 Y HN 0.858 nan 8.280 nan 0.000 0.428 947 G N 6.581 115.201 108.800 -0.301 0.000 2.583 947 G HA2 -0.296 3.671 3.960 0.013 0.000 0.292 947 G HA3 -0.296 3.671 3.960 0.013 0.000 0.292 947 G C -1.804 172.976 174.900 -0.200 0.000 1.203 947 G CA 0.151 45.068 45.100 -0.305 0.000 0.987 947 G HN 0.574 nan 8.290 nan 0.000 0.554 948 P HA 0.177 nan 4.420 nan 0.000 0.255 948 P C 0.199 177.273 177.300 -0.378 0.000 1.248 948 P CA 0.639 63.536 63.100 -0.338 0.000 0.807 948 P CB 0.044 31.487 31.700 -0.428 0.000 1.150 949 H N 0.309 119.295 119.070 -0.141 0.000 2.483 949 H HA 0.485 5.048 4.556 0.013 0.000 0.338 949 H C -0.145 174.890 175.328 -0.488 0.000 1.152 949 H CA -0.104 55.717 56.048 -0.378 0.000 1.264 949 H CB 1.696 30.961 29.762 -0.828 0.000 1.510 949 H HN 0.051 nan 8.280 nan 0.000 0.530 950 Q N 2.055 121.563 119.800 -0.488 0.000 2.305 950 Q HA 0.238 4.586 4.340 0.013 0.000 0.271 950 Q C -1.682 174.043 176.000 -0.460 0.000 1.046 950 Q CA -0.686 54.938 55.803 -0.299 0.000 0.798 950 Q CB 2.066 30.769 28.738 -0.058 0.000 1.286 950 Q HN 0.581 nan 8.270 nan 0.000 0.435 951 W N 4.060 125.300 121.300 -0.099 0.000 2.656 951 W HA 0.572 5.240 4.660 0.013 0.000 0.327 951 W C -0.260 176.329 176.519 0.117 0.000 1.041 951 W CA -0.789 56.472 57.345 -0.139 0.000 1.229 951 W CB 1.924 31.103 29.460 -0.468 0.000 1.397 951 W HN 0.497 nan 8.180 nan 0.000 0.479 952 R N 0.896 121.620 120.500 0.373 0.000 2.740 952 R HA 0.797 5.144 4.340 0.013 0.000 0.282 952 R C 0.240 176.815 176.300 0.459 0.000 0.969 952 R CA -0.456 55.888 56.100 0.406 0.000 0.918 952 R CB 2.369 32.820 30.300 0.253 0.000 1.175 952 R HN 0.750 nan 8.270 nan 0.000 0.464 953 G N 0.685 109.772 108.800 0.478 0.000 2.600 953 G HA2 0.021 3.989 3.960 0.013 0.000 0.103 953 G HA3 0.021 3.989 3.960 0.013 0.000 0.103 953 G C -1.737 173.328 174.900 0.274 0.000 1.090 953 G CA -0.283 45.066 45.100 0.415 0.000 1.090 953 G HN 0.490 nan 8.290 nan 0.000 0.500 954 D N -0.038 120.528 120.400 0.278 0.000 2.411 954 D HA 0.564 5.212 4.640 0.013 0.000 0.239 954 D C -0.767 175.570 176.300 0.062 0.000 1.307 954 D CA -0.475 53.563 54.000 0.063 0.000 0.930 954 D CB 0.182 41.045 40.800 0.105 0.000 1.395 954 D HN 0.545 nan 8.370 nan 0.000 0.536 955 F N -0.240 119.708 119.950 -0.003 0.000 2.726 955 F HA 0.727 5.262 4.527 0.013 0.000 0.324 955 F C -1.107 174.655 175.800 -0.063 0.000 1.140 955 F CA -1.005 56.930 58.000 -0.109 0.000 0.964 955 F CB 0.772 39.703 39.000 -0.115 0.000 1.399 955 F HN -0.150 nan 8.300 nan 0.000 0.491 956 Q N 1.588 121.477 119.800 0.148 0.000 2.345 956 Q HA 0.632 4.980 4.340 0.013 0.000 0.268 956 Q C -1.312 174.766 176.000 0.132 0.000 1.054 956 Q CA -0.494 55.312 55.803 0.005 0.000 0.835 956 Q CB 2.715 31.349 28.738 -0.174 0.000 1.339 956 Q HN 0.861 nan 8.270 nan 0.000 0.447 957 F N -1.037 118.798 119.950 -0.191 0.000 2.686 957 F HA 0.750 5.285 4.527 0.013 0.000 0.311 957 F C -1.453 174.132 175.800 -0.358 0.000 1.128 957 F CA -1.130 56.721 58.000 -0.247 0.000 0.946 957 F CB 1.605 40.489 39.000 -0.194 0.000 1.336 957 F HN 0.562 nan 8.300 nan 0.000 0.457 958 N N 1.355 119.886 118.700 -0.283 0.000 2.284 958 N HA 0.732 5.479 4.740 0.013 0.000 0.289 958 N C -2.104 173.332 175.510 -0.123 0.000 1.179 958 N CA -0.726 52.130 53.050 -0.324 0.000 0.774 958 N CB 2.634 40.935 38.487 -0.310 0.000 1.548 958 N HN 1.126 nan 8.380 nan 0.000 0.473 959 I N 0.590 121.077 120.570 -0.139 0.000 2.649 959 I HA 0.651 4.828 4.170 0.013 0.000 0.289 959 I C -1.478 174.546 176.117 -0.156 0.000 1.222 959 I CA 0.064 61.259 61.300 -0.175 0.000 1.046 959 I CB 1.336 39.171 38.000 -0.275 0.000 1.272 959 I HN 1.063 nan 8.210 nan 0.000 0.425 960 S N 6.261 121.887 115.700 -0.125 0.000 2.655 960 S HA 0.497 4.975 4.470 0.013 0.000 0.266 960 S C -0.284 174.207 174.600 -0.181 0.000 1.149 960 S CA -0.973 57.139 58.200 -0.147 0.000 0.818 960 S CB 1.663 64.820 63.200 -0.072 0.000 1.130 960 S HN 0.630 nan 8.310 nan 0.000 0.476 961 R N -0.036 120.191 120.500 -0.454 0.000 2.335 961 R HA 0.251 4.598 4.340 0.013 0.000 0.223 961 R C -0.870 175.148 176.300 -0.470 0.000 0.940 961 R CA 0.305 56.135 56.100 -0.451 0.000 1.086 961 R CB -0.989 28.941 30.300 -0.617 0.000 1.073 961 R HN 0.655 nan 8.270 nan 0.000 0.504 962 Y N 0.134 120.422 120.300 -0.019 0.000 2.350 962 Y HA 0.197 4.755 4.550 0.013 0.000 0.338 962 Y C 0.679 176.380 175.900 -0.330 0.000 0.961 962 Y CA -1.139 56.865 58.100 -0.160 0.000 1.100 962 Y CB 1.494 39.791 38.460 -0.272 0.000 1.179 962 Y HN -0.092 nan 8.280 nan 0.000 0.454 963 S N 1.640 117.013 115.700 -0.544 0.000 2.593 963 S HA 0.050 4.528 4.470 0.013 0.000 0.269 963 S C 0.884 175.143 174.600 -0.568 0.000 1.334 963 S CA -0.771 56.736 58.200 -1.156 0.000 1.015 963 S CB 1.214 63.549 63.200 -1.442 0.000 0.912 963 S HN 0.728 nan 8.310 nan 0.000 0.541 964 Q N 0.820 120.302 119.800 -0.530 0.000 2.135 964 Q HA -0.213 4.135 4.340 0.013 0.000 0.204 964 Q C 2.188 178.040 176.000 -0.246 0.000 0.981 964 Q CA 1.905 57.539 55.803 -0.283 0.000 0.856 964 Q CB -0.521 28.084 28.738 -0.223 0.000 0.902 964 Q HN 0.972 nan 8.270 nan 0.000 0.425 965 Q N 0.523 120.138 119.800 -0.307 0.000 2.084 965 Q HA -0.209 4.138 4.340 0.013 0.000 0.202 965 Q C 2.115 177.999 176.000 -0.194 0.000 0.978 965 Q CA 1.461 57.143 55.803 -0.201 0.000 0.844 965 Q CB 0.024 28.656 28.738 -0.177 0.000 0.898 965 Q HN 0.418 nan 8.270 nan 0.000 0.426 966 Q N 0.074 119.726 119.800 -0.248 0.000 2.084 966 Q HA -0.165 4.183 4.340 0.013 0.000 0.202 966 Q C 2.190 178.047 176.000 -0.240 0.000 0.978 966 Q CA 1.309 56.973 55.803 -0.233 0.000 0.844 966 Q CB -0.068 28.504 28.738 -0.277 0.000 0.898 966 Q HN 0.478 nan 8.270 nan 0.000 0.426 967 L N -0.046 121.038 121.223 -0.231 0.000 2.083 967 L HA -0.200 4.148 4.340 0.013 0.000 0.209 967 L C 2.648 179.381 176.870 -0.227 0.000 1.083 967 L CA 1.091 55.794 54.840 -0.228 0.000 0.752 967 L CB -0.314 41.651 42.059 -0.156 0.000 0.899 967 L HN 0.361 nan 8.230 nan 0.000 0.433 968 M N -0.790 118.707 119.600 -0.171 0.000 2.319 968 M HA -0.161 4.326 4.480 0.013 0.000 0.265 968 M C 1.597 177.814 176.300 -0.139 0.000 1.068 968 M CA 1.541 56.758 55.300 -0.139 0.000 1.118 968 M CB 0.083 32.614 32.600 -0.115 0.000 1.395 968 M HN 0.217 nan 8.290 nan 0.000 0.435 969 E N -1.037 119.077 120.200 -0.143 0.000 2.479 969 E HA 0.044 4.402 4.350 0.013 0.000 0.193 969 E C -0.293 176.239 176.600 -0.114 0.000 1.049 969 E CA 0.113 56.449 56.400 -0.107 0.000 0.870 969 E CB 0.505 30.153 29.700 -0.086 0.000 0.944 969 E HN 0.244 nan 8.360 nan 0.000 0.492 970 T N 0.031 114.479 114.554 -0.177 0.000 2.823 970 T HA 0.113 4.470 4.350 0.013 0.000 0.279 970 T C 1.032 175.614 174.700 -0.197 0.000 0.998 970 T CA -0.516 61.481 62.100 -0.171 0.000 0.994 970 T CB 1.727 70.454 68.868 -0.234 0.000 0.960 970 T HN 0.015 nan 8.240 nan 0.000 0.448 971 S N 1.563 117.243 115.700 -0.032 0.000 2.501 971 S HA 0.103 4.581 4.470 0.013 0.000 0.220 971 S C 0.240 174.885 174.600 0.074 0.000 0.997 971 S CA 0.233 58.491 58.200 0.095 0.000 0.919 971 S CB -0.198 63.212 63.200 0.351 0.000 0.778 971 S HN 0.747 nan 8.310 nan 0.000 0.523 972 H N 0.453 119.523 119.070 -0.001 0.000 2.771 972 H HA 0.485 5.049 4.556 0.013 0.000 0.361 972 H C 0.870 176.172 175.328 -0.044 0.000 1.108 972 H CA -0.857 55.250 56.048 0.098 0.000 1.201 972 H CB 1.453 31.272 29.762 0.095 0.000 1.681 972 H HN 0.091 nan 8.280 nan 0.000 0.534 973 R N 1.683 122.296 120.500 0.189 0.000 2.152 973 R HA -0.156 4.192 4.340 0.013 0.000 0.232 973 R C 1.040 177.354 176.300 0.024 0.000 1.117 973 R CA 1.797 57.937 56.100 0.067 0.000 0.981 973 R CB -0.392 29.983 30.300 0.126 0.000 0.870 973 R HN 0.760 nan 8.270 nan 0.000 0.451 974 H N 0.828 119.899 119.070 0.002 0.000 2.559 974 H HA 0.081 4.644 4.556 0.013 0.000 0.273 974 H C 1.422 176.667 175.328 -0.138 0.000 1.000 974 H CA 0.484 56.493 56.048 -0.065 0.000 1.195 974 H CB -0.088 29.635 29.762 -0.065 0.000 1.368 974 H HN 0.287 nan 8.280 nan 0.000 0.592 975 L N 0.883 121.694 121.223 -0.687 0.000 2.592 975 L HA 0.209 4.557 4.340 0.013 0.000 0.227 975 L C 0.664 177.363 176.870 -0.284 0.000 1.127 975 L CA -0.114 54.407 54.840 -0.531 0.000 0.884 975 L CB 0.133 41.880 42.059 -0.520 0.000 1.065 975 L HN 0.075 nan 8.230 nan 0.000 0.457 976 L N 0.713 121.754 121.223 -0.304 0.000 2.417 976 L HA 0.154 4.502 4.340 0.013 0.000 0.268 976 L C 0.121 176.890 176.870 -0.168 0.000 1.158 976 L CA -0.101 54.499 54.840 -0.400 0.000 0.819 976 L CB 0.464 42.063 42.059 -0.766 0.000 1.112 976 L HN 0.207 nan 8.230 nan 0.000 0.458 977 H N 1.416 120.483 119.070 -0.005 0.000 2.667 977 H HA 0.570 5.134 4.556 0.013 0.000 0.353 977 H C -0.785 174.677 175.328 0.224 0.000 1.072 977 H CA -1.241 54.862 56.048 0.092 0.000 1.214 977 H CB 1.284 31.056 29.762 0.018 0.000 1.600 977 H HN 0.678 nan 8.280 nan 0.000 0.527 978 A N 3.601 126.587 122.820 0.277 0.000 2.546 978 A HA 0.068 4.395 4.320 0.013 0.000 0.243 978 A C 0.398 178.069 177.584 0.146 0.000 1.063 978 A CA -0.121 51.948 52.037 0.054 0.000 0.757 978 A CB -0.040 18.928 19.000 -0.052 0.000 0.991 978 A HN 0.836 nan 8.150 nan 0.000 0.503 979 E N 0.795 121.066 120.200 0.118 0.000 2.312 979 E HA 0.223 4.581 4.350 0.013 0.000 0.259 979 E C 0.139 176.786 176.600 0.077 0.000 1.122 979 E CA -0.544 55.972 56.400 0.193 0.000 0.922 979 E CB 0.731 30.639 29.700 0.347 0.000 1.109 979 E HN 0.816 nan 8.360 nan 0.000 0.442 980 E N 0.408 120.641 120.200 0.054 0.000 2.398 980 E HA 0.228 4.586 4.350 0.013 0.000 0.263 980 E C 0.385 176.939 176.600 -0.076 0.000 1.046 980 E CA 0.442 56.834 56.400 -0.013 0.000 0.908 980 E CB 0.353 30.042 29.700 -0.019 0.000 0.963 980 E HN 0.654 nan 8.360 nan 0.000 0.431 981 G N 2.489 111.244 108.800 -0.074 0.000 2.645 981 G HA2 -0.223 3.744 3.960 0.013 0.000 0.246 981 G HA3 -0.223 3.744 3.960 0.013 0.000 0.246 981 G C -0.610 174.224 174.900 -0.110 0.000 1.322 981 G CA -0.132 44.906 45.100 -0.103 0.000 0.898 981 G HN 0.718 nan 8.290 nan 0.000 0.573 982 T N 0.171 114.643 114.554 -0.136 0.000 2.879 982 T HA 0.503 4.861 4.350 0.013 0.000 0.290 982 T C -0.745 173.814 174.700 -0.234 0.000 0.993 982 T CA -0.181 61.850 62.100 -0.113 0.000 0.975 982 T CB 1.361 70.250 68.868 0.035 0.000 0.981 982 T HN 0.568 nan 8.240 nan 0.000 0.439 983 W N 3.259 124.473 121.300 -0.143 0.000 2.322 983 W HA 0.594 5.262 4.660 0.013 0.000 0.307 983 W C -0.218 176.176 176.519 -0.209 0.000 1.220 983 W CA -0.671 56.585 57.345 -0.148 0.000 1.210 983 W CB 0.696 30.079 29.460 -0.128 0.000 1.223 983 W HN 0.401 nan 8.180 nan 0.000 0.511 984 L N 5.373 126.596 121.223 0.000 0.000 2.341 984 L HA 0.545 4.893 4.340 0.013 0.000 0.278 984 L C -0.999 175.776 176.870 -0.158 0.000 1.005 984 L CA -0.455 54.266 54.840 -0.199 0.000 0.818 984 L CB 1.015 42.804 42.059 -0.450 0.000 1.259 984 L HN 0.312 nan 8.230 nan 0.000 0.418 985 N N 6.829 125.422 118.700 -0.178 0.000 2.399 985 N HA 0.502 5.249 4.740 0.013 0.000 0.280 985 N C -1.316 174.053 175.510 -0.235 0.000 1.008 985 N CA -0.255 52.690 53.050 -0.176 0.000 0.894 985 N CB 2.316 40.728 38.487 -0.126 0.000 1.273 985 N HN 0.559 nan 8.380 nan 0.000 0.486 986 I N 1.786 122.173 120.570 -0.306 0.000 2.410 986 I HA 0.253 4.431 4.170 0.013 0.000 0.286 986 I C -0.757 175.164 176.117 -0.327 0.000 1.009 986 I CA -0.608 60.474 61.300 -0.363 0.000 1.111 986 I CB 1.830 39.447 38.000 -0.639 0.000 1.262 986 I HN 0.165 nan 8.210 nan 0.000 0.443 987 D N 4.336 124.580 120.400 -0.259 0.000 2.192 987 D HA 0.314 4.962 4.640 0.013 0.000 0.246 987 D C 0.975 176.972 176.300 -0.506 0.000 1.042 987 D CA -0.229 53.552 54.000 -0.365 0.000 0.847 987 D CB 2.548 43.238 40.800 -0.183 0.000 1.186 987 D HN 0.700 nan 8.370 nan 0.000 0.461 988 G N 0.970 109.180 108.800 -0.982 0.000 2.408 988 G HA2 0.007 3.974 3.960 0.013 0.000 0.215 988 G HA3 0.007 3.974 3.960 0.013 0.000 0.215 988 G C 0.086 174.225 174.900 -1.268 0.000 1.156 988 G CA 0.517 44.921 45.100 -1.159 0.000 0.793 988 G HN 0.374 nan 8.290 nan 0.000 0.535 989 F N -2.055 117.714 119.950 -0.302 0.000 2.601 989 F HA 0.600 5.134 4.527 0.013 0.000 0.309 989 F C -0.571 175.130 175.800 -0.165 0.000 1.089 989 F CA -1.123 56.772 58.000 -0.176 0.000 0.940 989 F CB 2.255 41.066 39.000 -0.315 0.000 1.273 989 F HN 0.039 nan 8.300 nan 0.000 0.450 990 H N 1.974 121.049 119.070 0.008 0.000 2.865 990 H HA 0.517 5.081 4.556 0.013 0.000 0.362 990 H C -0.883 174.472 175.328 0.046 0.000 1.114 990 H CA -0.835 55.196 56.048 -0.028 0.000 1.208 990 H CB 1.804 31.535 29.762 -0.052 0.000 1.727 990 H HN 0.769 nan 8.280 nan 0.000 0.534 991 M N 3.415 122.952 119.600 -0.105 0.000 2.226 991 M HA 0.327 4.815 4.480 0.013 0.000 0.324 991 M C 0.439 176.863 176.300 0.207 0.000 1.112 991 M CA 0.282 55.609 55.300 0.044 0.000 1.176 991 M CB 0.439 32.965 32.600 -0.123 0.000 1.430 991 M HN 0.817 nan 8.290 nan 0.000 0.462 992 G N 2.090 110.992 108.800 0.170 0.000 2.667 992 G HA2 0.317 4.285 3.960 0.013 0.000 0.250 992 G HA3 0.317 4.285 3.960 0.013 0.000 0.250 992 G C 0.574 175.475 174.900 0.001 0.000 1.212 992 G CA -0.452 44.688 45.100 0.067 0.000 0.874 992 G HN 0.969 nan 8.290 nan 0.000 0.561 993 I N -1.628 118.893 120.570 -0.082 0.000 3.427 993 I HA 0.394 4.571 4.170 0.013 0.000 0.288 993 I C 1.211 177.275 176.117 -0.089 0.000 1.249 993 I CA 0.431 61.644 61.300 -0.144 0.000 1.421 993 I CB -0.610 37.201 38.000 -0.315 0.000 1.086 993 I HN 0.913 nan 8.210 nan 0.000 0.448 994 G N 1.562 110.331 108.800 -0.051 0.000 2.645 994 G HA2 0.021 3.989 3.960 0.013 0.000 0.246 994 G HA3 0.021 3.989 3.960 0.013 0.000 0.246 994 G C 0.560 175.463 174.900 0.004 0.000 1.322 994 G CA 0.117 45.220 45.100 0.005 0.000 0.898 994 G HN 1.366 nan 8.290 nan 0.000 0.573 995 G N -2.461 106.352 108.800 0.023 0.000 2.559 995 G HA2 -0.000 3.967 3.960 0.013 0.000 0.202 995 G HA3 -0.000 3.967 3.960 0.013 0.000 0.202 995 G C 0.663 175.613 174.900 0.084 0.000 0.992 995 G CA 0.931 46.052 45.100 0.035 0.000 0.764 995 G HN 0.957 nan 8.290 nan 0.000 0.525 996 D N 1.227 121.696 120.400 0.115 0.000 2.190 996 D HA 0.090 4.737 4.640 0.013 0.000 0.200 996 D C 1.047 177.368 176.300 0.035 0.000 0.992 996 D CA 2.098 56.228 54.000 0.217 0.000 0.854 996 D CB 0.142 41.075 40.800 0.222 0.000 0.936 996 D HN 0.819 nan 8.370 nan 0.000 0.462 997 D N -3.451 116.772 120.400 -0.296 0.000 2.643 997 D HA 0.339 4.986 4.640 0.013 0.000 0.283 997 D C -0.745 175.078 176.300 -0.794 0.000 1.242 997 D CA -0.722 52.693 54.000 -0.976 0.000 0.863 997 D CB 0.965 40.664 40.800 -1.836 0.000 1.382 997 D HN -0.308 nan 8.370 nan 0.000 0.444 998 S N -0.580 114.506 115.700 -1.024 0.000 2.651 998 S HA 0.245 4.723 4.470 0.013 0.000 0.246 998 S C -0.633 173.997 174.600 0.050 0.000 1.039 998 S CA -0.655 57.430 58.200 -0.192 0.000 1.013 998 S CB -0.455 62.893 63.200 0.245 0.000 0.861 998 S HN 0.617 nan 8.310 nan 0.000 0.485 999 W N 0.915 122.149 121.300 -0.110 0.000 2.036 999 W HA 0.523 5.190 4.660 0.012 0.000 0.298 999 W C -0.071 176.388 176.519 -0.101 0.000 0.885 999 W CA -0.586 56.683 57.345 -0.126 0.000 1.488 999 W CB -0.520 28.817 29.460 -0.204 0.000 1.079 999 W HN 0.157 nan 8.180 nan 0.000 0.506 1000 S N -1.083 114.502 115.700 -0.191 0.000 2.550 1000 S HA 0.630 5.107 4.470 0.013 0.000 0.270 1000 S C -3.137 171.391 174.600 -0.120 0.000 1.145 1000 S CA -1.640 56.490 58.200 -0.116 0.000 0.852 1000 S CB 1.883 65.031 63.200 -0.086 0.000 1.119 1000 S HN -0.234 nan 8.310 nan 0.000 0.465 1001 P HA 0.211 nan 4.420 nan 0.000 0.264 1001 P C 0.381 177.710 177.300 0.049 0.000 1.193 1001 P CA -0.058 63.036 63.100 -0.009 0.000 0.763 1001 P CB 0.699 32.276 31.700 -0.205 0.000 0.810 1002 S N 0.418 116.194 115.700 0.127 0.000 2.733 1002 S HA 0.130 4.607 4.470 0.013 0.000 0.247 1002 S C 0.251 174.938 174.600 0.146 0.000 1.043 1002 S CA -0.289 57.962 58.200 0.086 0.000 1.066 1002 S CB -0.271 62.929 63.200 0.000 0.000 1.045 1002 S HN 0.115 nan 8.310 nan 0.000 0.586 1003 V N 2.962 123.013 119.914 0.227 0.000 2.470 1003 V HA 0.342 4.469 4.120 0.013 0.000 0.276 1003 V C 0.858 177.108 176.094 0.260 0.000 1.040 1003 V CA -0.226 62.197 62.300 0.206 0.000 1.008 1003 V CB 0.939 32.847 31.823 0.141 0.000 0.990 1003 V HN 0.505 nan 8.190 nan 0.000 0.477 1004 S N 3.920 119.782 115.700 0.270 0.000 2.568 1004 S HA 0.279 4.756 4.470 0.013 0.000 0.282 1004 S C 1.533 176.280 174.600 0.245 0.000 1.338 1004 S CA 0.062 58.415 58.200 0.255 0.000 1.045 1004 S CB 1.091 64.470 63.200 0.300 0.000 0.873 1004 S HN 0.996 nan 8.310 nan 0.000 0.516 1005 A N 3.415 126.335 122.820 0.166 0.000 1.948 1005 A HA -0.147 4.180 4.320 0.013 0.000 0.220 1005 A C 2.008 179.633 177.584 0.069 0.000 1.177 1005 A CA 1.834 53.956 52.037 0.142 0.000 0.636 1005 A CB -0.647 18.415 19.000 0.103 0.000 0.815 1005 A HN 0.957 nan 8.150 nan 0.000 0.449 1006 E N -0.901 119.281 120.200 -0.030 0.000 2.409 1006 E HA -0.123 4.234 4.350 0.013 0.000 0.198 1006 E C 0.740 177.127 176.600 -0.355 0.000 1.024 1006 E CA 0.777 57.044 56.400 -0.222 0.000 0.861 1006 E CB -0.420 29.058 29.700 -0.370 0.000 0.788 1006 E HN 0.688 nan 8.360 nan 0.000 0.521 1007 F N 1.098 121.105 119.950 0.094 0.000 2.653 1007 F HA 0.272 4.807 4.527 0.012 0.000 0.304 1007 F C 0.851 176.698 175.800 0.077 0.000 1.092 1007 F CA -0.496 57.561 58.000 0.096 0.000 1.279 1007 F CB 0.546 39.604 39.000 0.096 0.000 1.044 1007 F HN -0.191 nan 8.300 nan 0.000 0.564 1008 Q N 1.238 121.154 119.800 0.194 0.000 2.230 1008 Q HA 0.415 4.763 4.340 0.013 0.000 0.248 1008 Q C -0.259 175.784 176.000 0.072 0.000 0.915 1008 Q CA -0.535 55.357 55.803 0.148 0.000 0.900 1008 Q CB 1.926 30.833 28.738 0.283 0.000 1.229 1008 Q HN 0.244 nan 8.270 nan 0.000 0.439 1009 L N 2.446 123.700 121.223 0.052 0.000 2.387 1009 L HA 0.115 4.462 4.340 0.013 0.000 0.267 1009 L C 0.492 177.354 176.870 -0.013 0.000 1.197 1009 L CA -0.068 54.796 54.840 0.041 0.000 1.070 1009 L CB -0.315 41.657 42.059 -0.145 0.000 1.349 1009 L HN 0.691 nan 8.230 nan 0.000 0.422 1010 S N -1.057 114.538 115.700 -0.176 0.000 2.593 1010 S HA 0.175 4.653 4.470 0.013 0.000 0.236 1010 S C 1.556 176.076 174.600 -0.133 0.000 0.991 1010 S CA 0.127 58.042 58.200 -0.475 0.000 0.963 1010 S CB 0.811 63.543 63.200 -0.780 0.000 0.865 1010 S HN 0.523 nan 8.310 nan 0.000 0.488 1011 A N 1.435 124.208 122.820 -0.078 0.000 2.121 1011 A HA 0.456 4.783 4.320 0.013 0.000 0.218 1011 A C 2.060 179.497 177.584 -0.245 0.000 1.154 1011 A CA 1.214 53.076 52.037 -0.292 0.000 0.679 1011 A CB -1.175 17.417 19.000 -0.679 0.000 0.795 1011 A HN 1.455 nan 8.150 nan 0.000 0.458 1012 G N -1.328 107.429 108.800 -0.072 0.000 2.812 1012 G HA2 -0.282 3.685 3.960 0.013 0.000 0.219 1012 G HA3 -0.282 3.685 3.960 0.013 0.000 0.219 1012 G C 0.434 175.326 174.900 -0.013 0.000 1.275 1012 G CA 0.338 45.438 45.100 0.000 0.000 0.769 1012 G HN 0.675 nan 8.290 nan 0.000 0.527 1013 R N -0.348 120.026 120.500 -0.210 0.000 2.534 1013 R HA 0.706 5.053 4.340 0.013 0.000 0.301 1013 R C -1.537 174.519 176.300 -0.407 0.000 0.961 1013 R CA -0.544 55.468 56.100 -0.146 0.000 0.871 1013 R CB 1.501 31.754 30.300 -0.078 0.000 1.170 1013 R HN 0.291 nan 8.270 nan 0.000 0.446 1014 Y N 0.440 120.730 120.300 -0.016 0.000 2.477 1014 Y HA 0.330 4.888 4.550 0.013 0.000 0.347 1014 Y C -0.494 175.536 175.900 0.216 0.000 0.981 1014 Y CA -0.814 57.235 58.100 -0.085 0.000 1.033 1014 Y CB 2.175 40.462 38.460 -0.289 0.000 1.245 1014 Y HN 0.588 nan 8.280 nan 0.000 0.455 1015 H N 3.039 122.353 119.070 0.406 0.000 2.600 1015 H HA 0.622 5.186 4.556 0.013 0.000 0.357 1015 H C -1.713 174.003 175.328 0.646 0.000 1.106 1015 H CA -0.845 55.445 56.048 0.403 0.000 1.193 1015 H CB 1.164 31.062 29.762 0.228 0.000 1.594 1015 H HN 0.582 nan 8.280 nan 0.000 0.526 1016 Y N 1.870 122.007 120.300 -0.272 0.000 2.597 1016 Y HA 0.476 5.034 4.550 0.013 0.000 0.340 1016 Y C -1.623 174.106 175.900 -0.286 0.000 1.097 1016 Y CA -1.165 56.863 58.100 -0.119 0.000 1.037 1016 Y CB 1.472 39.942 38.460 0.017 0.000 1.305 1016 Y HN 0.793 nan 8.280 nan 0.000 0.463 1017 Q N 2.281 122.117 119.800 0.060 0.000 2.377 1017 Q HA 0.808 5.155 4.340 0.013 0.000 0.279 1017 Q C -2.528 173.573 176.000 0.169 0.000 1.049 1017 Q CA -0.748 55.067 55.803 0.020 0.000 0.825 1017 Q CB 2.820 31.609 28.738 0.085 0.000 1.401 1017 Q HN 0.898 nan 8.270 nan 0.000 0.404 1018 L N 1.708 123.014 121.223 0.139 0.000 2.424 1018 L HA 0.782 5.130 4.340 0.013 0.000 0.258 1018 L C -1.165 175.827 176.870 0.205 0.000 0.995 1018 L CA -1.257 53.698 54.840 0.192 0.000 0.821 1018 L CB 2.652 44.804 42.059 0.156 0.000 1.383 1018 L HN 0.508 nan 8.230 nan 0.000 0.410 1019 V N 0.732 120.789 119.914 0.239 0.000 2.487 1019 V HA 0.399 4.527 4.120 0.013 0.000 0.298 1019 V C -1.323 174.945 176.094 0.290 0.000 1.028 1019 V CA -0.362 62.086 62.300 0.247 0.000 0.860 1019 V CB 2.104 34.045 31.823 0.197 0.000 0.991 1019 V HN 0.622 nan 8.190 nan 0.000 0.427 1020 W N 7.219 128.589 121.300 0.117 0.000 2.376 1020 W HA 0.685 5.352 4.660 0.013 0.000 0.312 1020 W C -0.192 176.332 176.519 0.008 0.000 1.060 1020 W CA -1.076 56.257 57.345 -0.020 0.000 1.221 1020 W CB 1.319 30.831 29.460 0.086 0.000 1.281 1020 W HN 0.855 nan 8.180 nan 0.000 0.456 1021 C N 4.327 123.851 119.300 0.374 0.000 3.336 1021 C HA 0.730 5.198 4.460 0.013 0.000 0.352 1021 C C -0.309 174.797 174.990 0.195 0.000 1.567 1021 C CA -0.713 58.474 59.018 0.281 0.000 1.328 1021 C CB 1.783 29.630 27.740 0.178 0.000 1.922 1021 C HN 0.741 nan 8.230 nan 0.000 0.439 1022 Q N 0.856 120.724 119.800 0.112 0.000 2.576 1022 Q HA 0.846 5.194 4.340 0.013 0.000 0.249 1022 Q C -1.363 174.637 176.000 -0.000 0.000 1.041 1022 Q CA -0.373 55.441 55.803 0.019 0.000 0.928 1022 Q CB 2.067 30.797 28.738 -0.014 0.000 1.302 1022 Q HN 0.953 nan 8.270 nan 0.000 0.504 1023 K N 0.000 120.378 120.400 -0.037 0.000 2.780 1023 K HA 0.000 4.328 4.320 0.013 0.000 0.191 1023 K CA 0.000 56.272 56.287 -0.026 0.000 0.838 1023 K CB 0.000 32.495 32.500 -0.008 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543