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 1jyv_1_C 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 LILCQYAHAM 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 0.000 176.062 176.300 -0.396 0.000 0.893 13 R CA 0.000 55.958 56.100 -0.236 0.000 0.921 13 R CB 0.000 30.172 30.300 -0.213 0.000 0.687 14 R N 1.972 122.085 120.500 -0.645 0.000 3.336 14 R HA -0.147 4.209 4.340 0.027 0.000 0.260 14 R C -0.503 175.248 176.300 -0.915 0.000 1.032 14 R CA 0.752 56.020 56.100 -1.387 0.000 0.693 14 R CB -1.532 28.155 30.300 -1.021 0.000 1.134 14 R HN 0.392 nan 8.270 nan 0.000 0.433 15 D N 0.022 120.096 120.400 -0.542 0.000 2.263 15 D HA -0.166 4.490 4.640 0.027 0.000 0.208 15 D C 1.610 177.837 176.300 -0.123 0.000 0.971 15 D CA 1.678 55.453 54.000 -0.374 0.000 0.867 15 D CB -0.123 40.262 40.800 -0.692 0.000 0.929 15 D HN 0.728 nan 8.370 nan 0.000 0.492 16 W N 1.182 122.499 121.300 0.029 0.000 3.292 16 W HA 0.217 4.893 4.660 0.027 0.000 0.263 16 W C 0.372 176.987 176.519 0.160 0.000 1.318 16 W CA -0.337 57.127 57.345 0.199 0.000 1.663 16 W CB -0.239 29.386 29.460 0.275 0.000 1.114 16 W HN -0.207 nan 8.180 nan 0.000 0.706 17 E N 1.557 121.633 120.200 -0.207 0.000 3.646 17 E HA 0.065 4.431 4.350 0.027 0.000 0.211 17 E C -0.828 175.639 176.600 -0.222 0.000 1.034 17 E CA -0.251 56.067 56.400 -0.136 0.000 1.341 17 E CB -0.202 29.411 29.700 -0.144 0.000 1.202 17 E HN 0.056 nan 8.360 nan 0.000 0.447 18 N N 0.906 119.502 118.700 -0.172 0.000 2.752 18 N HA 0.092 4.848 4.740 0.027 0.000 0.268 18 N C -2.495 172.875 175.510 -0.234 0.000 1.190 18 N CA -1.552 51.354 53.050 -0.239 0.000 0.897 18 N CB 1.386 39.745 38.487 -0.213 0.000 1.515 18 N HN -0.160 nan 8.380 nan 0.000 0.567 19 P HA 0.075 nan 4.420 nan 0.000 0.234 19 P C 1.146 178.214 177.300 -0.386 0.000 1.167 19 P CA 0.634 63.405 63.100 -0.548 0.000 0.763 19 P CB 0.104 30.993 31.700 -1.351 0.000 0.835 20 G N -0.284 108.330 108.800 -0.309 0.000 2.511 20 G HA2 -0.001 3.975 3.960 0.027 0.000 0.217 20 G HA3 -0.001 3.975 3.960 0.027 0.000 0.217 20 G C 0.374 175.199 174.900 -0.124 0.000 1.133 20 G CA 0.237 45.211 45.100 -0.211 0.000 0.792 20 G HN 0.230 nan 8.290 nan 0.000 0.539 21 V N 1.664 121.522 119.914 -0.094 0.000 2.325 21 V HA 0.298 4.434 4.120 0.027 0.000 0.280 21 V C 0.752 176.908 176.094 0.103 0.000 1.016 21 V CA 0.119 62.417 62.300 -0.003 0.000 0.818 21 V CB 1.213 33.017 31.823 -0.031 0.000 1.019 21 V HN 0.327 nan 8.190 nan 0.000 0.434 22 T N 0.568 115.172 114.554 0.084 0.000 3.054 22 T HA 0.390 4.757 4.350 0.027 0.000 0.255 22 T C 0.210 174.947 174.700 0.063 0.000 1.035 22 T CA -0.010 62.142 62.100 0.087 0.000 0.941 22 T CB 0.227 69.100 68.868 0.007 0.000 1.026 22 T HN 0.710 nan 8.240 nan 0.000 0.533 23 Q N 0.200 120.092 119.800 0.153 0.000 2.791 23 Q HA 0.636 4.992 4.340 0.027 0.000 0.280 23 Q C -2.366 173.765 176.000 0.219 0.000 0.928 23 Q CA -1.009 54.871 55.803 0.129 0.000 0.819 23 Q CB 0.613 29.344 28.738 -0.013 0.000 1.552 23 Q HN 0.219 nan 8.270 nan 0.000 0.410 24 L N 1.923 123.300 121.223 0.258 0.000 2.438 24 L HA 0.625 4.982 4.340 0.027 0.000 0.270 24 L C -0.509 176.477 176.870 0.194 0.000 0.972 24 L CA -0.921 54.075 54.840 0.259 0.000 0.831 24 L CB 1.933 44.264 42.059 0.454 0.000 1.273 24 L HN 0.861 nan 8.230 nan 0.000 0.405 25 N N 0.769 119.552 118.700 0.138 0.000 2.753 25 N HA -0.216 4.541 4.740 0.027 0.000 0.251 25 N C 0.153 175.723 175.510 0.099 0.000 1.097 25 N CA 0.838 53.957 53.050 0.115 0.000 0.786 25 N CB -0.852 37.667 38.487 0.053 0.000 1.137 25 N HN 0.649 nan 8.380 nan 0.000 0.566 26 R N 0.754 121.231 120.500 -0.037 0.000 2.441 26 R HA 0.444 4.801 4.340 0.027 0.000 0.284 26 R C 0.462 176.613 176.300 -0.250 0.000 1.070 26 R CA -0.369 55.495 56.100 -0.393 0.000 1.047 26 R CB 0.578 30.666 30.300 -0.354 0.000 1.016 26 R HN 0.120 nan 8.270 nan 0.000 0.477 27 L N 2.883 123.929 121.223 -0.296 0.000 2.439 27 L HA 0.379 4.735 4.340 0.027 0.000 0.261 27 L C 0.616 177.430 176.870 -0.093 0.000 1.153 27 L CA -0.727 54.038 54.840 -0.126 0.000 0.808 27 L CB 1.038 43.053 42.059 -0.073 0.000 1.126 27 L HN 0.778 nan 8.230 nan 0.000 0.460 28 A N 1.323 124.129 122.820 -0.023 0.000 2.507 28 A HA 0.461 4.797 4.320 0.027 0.000 0.235 28 A C 0.309 177.897 177.584 0.006 0.000 1.070 28 A CA 0.092 52.125 52.037 -0.007 0.000 0.768 28 A CB 0.102 19.122 19.000 0.033 0.000 1.011 28 A HN 0.797 nan 8.150 nan 0.000 0.502 29 A N 1.116 123.898 122.820 -0.064 0.000 2.332 29 A HA 0.684 5.020 4.320 0.027 0.000 0.258 29 A C 0.053 177.551 177.584 -0.145 0.000 1.087 29 A CA 0.443 52.371 52.037 -0.182 0.000 0.802 29 A CB -0.048 18.845 19.000 -0.178 0.000 1.042 29 A HN 1.979 nan 8.150 nan 0.000 0.489 30 H N -2.099 116.819 119.070 -0.253 0.000 2.987 30 H HA 0.612 5.184 4.556 0.027 0.000 0.316 30 H C -3.435 171.605 175.328 -0.479 0.000 1.380 30 H CA -1.781 54.050 56.048 -0.362 0.000 1.160 30 H CB 0.073 29.511 29.762 -0.541 0.000 1.865 30 H HN 0.378 nan 8.280 nan 0.000 0.521 31 P HA 0.191 nan 4.420 nan 0.000 0.273 31 P C -2.567 174.571 177.300 -0.270 0.000 1.250 31 P CA -1.330 61.572 63.100 -0.331 0.000 0.793 31 P CB -0.278 31.152 31.700 -0.451 0.000 1.011 32 P HA 0.040 nan 4.420 nan 0.000 0.261 32 P C -0.750 176.749 177.300 0.332 0.000 1.183 32 P CA 1.122 64.258 63.100 0.060 0.000 0.761 32 P CB -0.152 31.622 31.700 0.124 0.000 0.785 33 F N 1.521 121.584 119.950 0.189 0.000 2.523 33 F HA 0.603 5.147 4.527 0.027 0.000 0.329 33 F C 1.044 176.789 175.800 -0.091 0.000 1.061 33 F CA -0.979 57.075 58.000 0.089 0.000 0.967 33 F CB 2.124 41.131 39.000 0.013 0.000 1.218 33 F HN 0.220 nan 8.300 nan 0.000 0.480 34 A N 0.315 123.088 122.820 -0.078 0.000 2.591 34 A HA 0.216 4.552 4.320 0.027 0.000 0.204 34 A C 0.580 177.890 177.584 -0.457 0.000 1.410 34 A CA 0.397 52.146 52.037 -0.481 0.000 1.065 34 A CB -0.127 18.106 19.000 -1.279 0.000 1.362 34 A HN 0.723 nan 8.150 nan 0.000 0.566 35 S N 0.569 116.108 115.700 -0.269 0.000 3.447 35 S HA -0.151 4.335 4.470 0.027 0.000 0.371 35 S C -0.036 174.499 174.600 -0.107 0.000 0.951 35 S CA 0.409 58.503 58.200 -0.177 0.000 1.269 35 S CB -1.517 61.571 63.200 -0.185 0.000 0.919 35 S HN 0.455 nan 8.310 nan 0.000 0.516 36 W N 2.071 123.352 121.300 -0.031 0.000 2.158 36 W HA 0.223 4.899 4.660 0.027 0.000 0.339 36 W C 1.362 177.861 176.519 -0.032 0.000 1.294 36 W CA -0.531 56.802 57.345 -0.020 0.000 1.231 36 W CB 0.278 29.725 29.460 -0.021 0.000 1.143 36 W HN 0.366 nan 8.180 nan 0.000 0.571 37 R N 1.965 122.595 120.500 0.217 0.000 2.509 37 R HA 0.078 4.435 4.340 0.027 0.000 0.300 37 R C -0.028 176.333 176.300 0.100 0.000 0.985 37 R CA -0.105 56.064 56.100 0.114 0.000 1.092 37 R CB -0.106 30.231 30.300 0.062 0.000 1.237 37 R HN 0.363 nan 8.270 nan 0.000 0.546 38 N N 0.144 118.921 118.700 0.128 0.000 2.430 38 N HA 0.116 4.873 4.740 0.027 0.000 0.290 38 N C -0.097 175.391 175.510 -0.038 0.000 1.063 38 N CA -0.029 53.044 53.050 0.039 0.000 0.883 38 N CB 1.886 40.398 38.487 0.043 0.000 1.465 38 N HN -0.257 nan 8.380 nan 0.000 0.493 39 S N 2.418 118.070 115.700 -0.080 0.000 2.382 39 S HA -0.158 4.328 4.470 0.027 0.000 0.228 39 S C 1.396 175.823 174.600 -0.287 0.000 1.027 39 S CA 1.109 59.215 58.200 -0.158 0.000 0.991 39 S CB -0.025 63.113 63.200 -0.104 0.000 0.823 39 S HN 0.761 nan 8.310 nan 0.000 0.469 40 E N 1.693 121.745 120.200 -0.247 0.000 2.106 40 E HA -0.138 4.229 4.350 0.027 0.000 0.192 40 E C 1.792 178.170 176.600 -0.371 0.000 0.984 40 E CA 1.279 57.492 56.400 -0.311 0.000 0.806 40 E CB -0.193 29.386 29.700 -0.203 0.000 0.750 40 E HN 0.580 nan 8.360 nan 0.000 0.458 41 E N -0.345 119.649 120.200 -0.343 0.000 2.106 41 E HA -0.135 4.231 4.350 0.027 0.000 0.192 41 E C 1.973 177.964 176.600 -1.016 0.000 0.984 41 E CA 0.867 57.013 56.400 -0.423 0.000 0.806 41 E CB -0.157 29.438 29.700 -0.174 0.000 0.750 41 E HN 0.390 nan 8.360 nan 0.000 0.458 42 A N 1.456 123.438 122.820 -1.396 0.000 1.930 42 A HA -0.176 4.160 4.320 0.027 0.000 0.217 42 A C 2.076 179.033 177.584 -1.045 0.000 1.175 42 A CA 1.222 52.042 52.037 -2.029 0.000 0.627 42 A CB -0.377 18.012 19.000 -1.018 0.000 0.815 42 A HN 0.067 nan 8.150 nan 0.000 0.443 43 R N -0.064 120.012 120.500 -0.708 0.000 2.081 43 R HA -0.132 4.224 4.340 0.027 0.000 0.235 43 R C 1.856 177.882 176.300 -0.456 0.000 1.131 43 R CA 2.058 57.800 56.100 -0.597 0.000 0.960 43 R CB -0.406 29.413 30.300 -0.802 0.000 0.856 43 R HN 0.609 nan 8.270 nan 0.000 0.436 44 T N -2.664 111.638 114.554 -0.420 0.000 3.107 44 T HA 0.061 4.427 4.350 0.027 0.000 0.249 44 T C 0.204 174.808 174.700 -0.160 0.000 1.096 44 T CA 0.427 62.375 62.100 -0.254 0.000 1.012 44 T CB 0.113 68.862 68.868 -0.199 0.000 0.977 44 T HN 0.340 nan 8.240 nan 0.000 0.527 45 D N 0.817 121.082 120.400 -0.224 0.000 2.800 45 D HA -0.156 4.500 4.640 0.027 0.000 0.232 45 D C 0.036 176.454 176.300 0.198 0.000 1.137 45 D CA 0.429 54.453 54.000 0.040 0.000 0.718 45 D CB -1.193 39.678 40.800 0.118 0.000 1.084 45 D HN 0.582 nan 8.370 nan 0.000 0.432 46 R N 0.028 120.614 120.500 0.143 0.000 2.577 46 R HA 0.522 4.878 4.340 0.027 0.000 0.269 46 R C -2.079 174.481 176.300 0.434 0.000 1.084 46 R CA -1.437 54.795 56.100 0.221 0.000 1.163 46 R CB 0.346 30.713 30.300 0.112 0.000 1.100 46 R HN 0.036 nan 8.270 nan 0.000 0.547 47 P HA -0.073 nan 4.420 nan 0.000 0.266 47 P C -0.866 176.600 177.300 0.277 0.000 1.193 47 P CA 0.368 63.611 63.100 0.238 0.000 0.770 47 P CB 0.717 32.506 31.700 0.150 0.000 0.836 48 S N 1.467 117.201 115.700 0.058 0.000 2.475 48 S HA 0.132 4.619 4.470 0.027 0.000 0.298 48 S C 0.967 175.578 174.600 0.019 0.000 1.119 48 S CA -0.576 57.579 58.200 -0.076 0.000 1.085 48 S CB 0.543 63.365 63.200 -0.630 0.000 1.028 48 S HN 0.240 nan 8.310 nan 0.000 0.489 49 Q N 2.604 122.453 119.800 0.081 0.000 2.364 49 Q HA -0.037 4.320 4.340 0.027 0.000 0.207 49 Q C 0.776 176.894 176.000 0.198 0.000 0.970 49 Q CA 1.054 56.940 55.803 0.138 0.000 0.888 49 Q CB -0.120 28.706 28.738 0.147 0.000 0.951 49 Q HN 0.691 nan 8.270 nan 0.000 0.469 50 Q N -0.073 119.759 119.800 0.053 0.000 2.360 50 Q HA 0.140 4.496 4.340 0.027 0.000 0.202 50 Q C -0.318 175.714 176.000 0.053 0.000 0.915 50 Q CA 0.115 55.893 55.803 -0.041 0.000 0.943 50 Q CB 0.443 29.068 28.738 -0.190 0.000 1.064 50 Q HN 0.046 nan 8.270 nan 0.000 0.511 51 L N 0.522 121.802 121.223 0.095 0.000 2.388 51 L HA 0.456 4.812 4.340 0.027 0.000 0.267 51 L C -1.263 175.691 176.870 0.140 0.000 0.995 51 L CA -0.403 54.493 54.840 0.093 0.000 0.864 51 L CB 1.033 43.056 42.059 -0.060 0.000 1.216 51 L HN -0.112 nan 8.230 nan 0.000 0.430 52 R N 2.330 122.954 120.500 0.206 0.000 2.604 52 R HA 0.647 5.003 4.340 0.027 0.000 0.287 52 R C -0.545 175.785 176.300 0.050 0.000 0.970 52 R CA -0.760 55.410 56.100 0.116 0.000 0.946 52 R CB 2.040 32.380 30.300 0.067 0.000 1.127 52 R HN 0.646 nan 8.270 nan 0.000 0.473 53 S N 1.845 117.563 115.700 0.030 0.000 2.508 53 S HA 0.281 4.768 4.470 0.027 0.000 0.284 53 S C 0.632 175.234 174.600 0.003 0.000 1.192 53 S CA -0.672 57.536 58.200 0.014 0.000 1.070 53 S CB 0.585 63.802 63.200 0.029 0.000 1.004 53 S HN 0.571 nan 8.310 nan 0.000 0.493 54 L N 3.396 124.617 121.223 -0.003 0.000 2.667 54 L HA 0.282 4.638 4.340 0.027 0.000 0.232 54 L C 0.264 177.279 176.870 0.242 0.000 1.138 54 L CA -0.324 54.534 54.840 0.030 0.000 0.921 54 L CB -0.305 41.701 42.059 -0.088 0.000 1.180 54 L HN 0.526 nan 8.230 nan 0.000 0.487 55 N N 1.072 119.861 118.700 0.149 0.000 2.415 55 N HA 0.432 5.189 4.740 0.027 0.000 0.248 55 N C 0.689 176.332 175.510 0.221 0.000 1.271 55 N CA 1.117 54.264 53.050 0.161 0.000 0.913 55 N CB 1.067 39.584 38.487 0.049 0.000 1.129 55 N HN 0.279 nan 8.380 nan 0.000 0.444 56 G N 0.335 109.278 108.800 0.238 0.000 2.225 56 G HA2 -0.100 3.876 3.960 0.027 0.000 0.203 56 G HA3 -0.100 3.876 3.960 0.027 0.000 0.203 56 G C -1.513 173.593 174.900 0.344 0.000 1.335 56 G CA -0.764 44.468 45.100 0.221 0.000 1.183 56 G HN 0.490 nan 8.290 nan 0.000 0.488 57 E N -0.016 120.357 120.200 0.289 0.000 2.200 57 E HA 0.505 4.871 4.350 0.027 0.000 0.283 57 E C -1.022 175.824 176.600 0.410 0.000 1.015 57 E CA -0.249 56.342 56.400 0.319 0.000 0.819 57 E CB 1.212 31.017 29.700 0.176 0.000 1.081 57 E HN 0.373 nan 8.360 nan 0.000 0.397 58 W N 1.480 122.872 121.300 0.153 0.000 2.850 58 W HA 0.409 5.086 4.660 0.027 0.000 0.349 58 W C 0.066 176.721 176.519 0.226 0.000 1.133 58 W CA -0.758 56.712 57.345 0.208 0.000 1.117 58 W CB 0.846 30.490 29.460 0.307 0.000 1.442 58 W HN 0.176 nan 8.180 nan 0.000 0.575 59 R N 1.533 122.317 120.500 0.474 0.000 2.407 59 R HA 0.598 4.955 4.340 0.027 0.000 0.303 59 R C -1.487 175.077 176.300 0.441 0.000 0.981 59 R CA -0.895 55.424 56.100 0.365 0.000 0.905 59 R CB 1.178 31.637 30.300 0.266 0.000 1.099 59 R HN 0.500 nan 8.270 nan 0.000 0.459 60 F N 0.455 120.460 119.950 0.091 0.000 2.596 60 F HA 0.622 5.165 4.527 0.027 0.000 0.311 60 F C -1.580 174.067 175.800 -0.254 0.000 1.116 60 F CA -0.564 57.337 58.000 -0.164 0.000 0.957 60 F CB 1.950 40.766 39.000 -0.308 0.000 1.250 60 F HN 0.618 nan 8.300 nan 0.000 0.444 61 A N 4.461 126.481 122.820 -1.334 0.000 2.449 61 A HA 0.596 4.932 4.320 0.027 0.000 0.302 61 A C -2.436 174.177 177.584 -1.617 0.000 1.048 61 A CA -0.536 50.819 52.037 -1.136 0.000 0.708 61 A CB 0.831 19.439 19.000 -0.653 0.000 1.274 61 A HN 0.943 nan 8.150 nan 0.000 0.410 62 W N 2.553 122.991 121.300 -1.438 0.000 2.469 62 W HA 0.745 5.421 4.660 0.027 0.000 0.320 62 W C -1.777 174.122 176.519 -1.034 0.000 1.086 62 W CA -0.342 56.311 57.345 -1.154 0.000 1.211 62 W CB 1.054 30.113 29.460 -0.669 0.000 1.298 62 W HN 0.503 nan 8.180 nan 0.000 0.525 63 F N 6.282 125.551 119.950 -1.135 0.000 2.588 63 F HA 0.379 4.922 4.527 0.027 0.000 0.314 63 F C -1.230 173.716 175.800 -1.423 0.000 1.069 63 F CA -2.123 55.359 58.000 -0.864 0.000 0.931 63 F CB 2.111 40.734 39.000 -0.629 0.000 1.260 63 F HN 0.216 nan 8.300 nan 0.000 0.465 64 P HA 0.120 nan 4.420 nan 0.000 0.236 64 P C -0.438 176.740 177.300 -0.204 0.000 1.177 64 P CA 0.786 63.639 63.100 -0.413 0.000 0.773 64 P CB 0.722 32.465 31.700 0.071 0.000 0.878 65 A N -0.434 122.271 122.820 -0.191 0.000 2.599 65 A HA 0.510 4.846 4.320 0.027 0.000 0.294 65 A C -2.455 175.024 177.584 -0.175 0.000 1.055 65 A CA -0.979 50.988 52.037 -0.116 0.000 0.683 65 A CB 0.484 19.477 19.000 -0.011 0.000 1.278 65 A HN -0.301 nan 8.150 nan 0.000 0.412 66 P HA -0.113 nan 4.420 nan 0.000 0.218 66 P C 0.774 177.978 177.300 -0.161 0.000 1.149 66 P CA 1.484 64.455 63.100 -0.215 0.000 0.817 66 P CB 0.251 31.800 31.700 -0.250 0.000 0.785 67 E N -0.088 120.075 120.200 -0.062 0.000 2.333 67 E HA -0.063 4.303 4.350 0.027 0.000 0.198 67 E C 1.945 178.471 176.600 -0.124 0.000 1.007 67 E CA 1.202 57.573 56.400 -0.047 0.000 0.845 67 E CB -0.773 28.934 29.700 0.012 0.000 0.766 67 E HN 0.241 nan 8.360 nan 0.000 0.507 68 A N 0.175 122.884 122.820 -0.185 0.000 2.275 68 A HA 0.133 4.469 4.320 0.027 0.000 0.212 68 A C 0.604 177.855 177.584 -0.556 0.000 1.201 68 A CA -0.193 51.714 52.037 -0.216 0.000 0.843 68 A CB 0.368 19.339 19.000 -0.048 0.000 0.873 68 A HN 0.023 nan 8.150 nan 0.000 0.492 69 V N 2.676 122.144 119.914 -0.744 0.000 2.555 69 V HA 0.223 4.360 4.120 0.027 0.000 0.286 69 V C -2.198 173.515 176.094 -0.635 0.000 1.044 69 V CA -1.425 60.158 62.300 -1.194 0.000 1.026 69 V CB 0.802 32.039 31.823 -0.977 0.000 0.981 69 V HN 0.303 nan 8.190 nan 0.000 0.480 70 P HA 0.297 nan 4.420 nan 0.000 0.280 70 P C 0.286 177.512 177.300 -0.122 0.000 1.244 70 P CA -0.411 62.553 63.100 -0.227 0.000 0.784 70 P CB 1.144 32.778 31.700 -0.109 0.000 0.913 71 E N 1.054 121.200 120.200 -0.091 0.000 2.209 71 E HA -0.190 4.176 4.350 0.027 0.000 0.196 71 E C 1.916 178.491 176.600 -0.042 0.000 0.993 71 E CA 1.784 58.142 56.400 -0.072 0.000 0.819 71 E CB -0.436 29.226 29.700 -0.063 0.000 0.745 71 E HN 0.559 nan 8.360 nan 0.000 0.477 72 S N -0.319 115.375 115.700 -0.009 0.000 2.402 72 S HA -0.241 4.245 4.470 0.027 0.000 0.233 72 S C 1.864 176.489 174.600 0.042 0.000 1.030 72 S CA 1.065 59.271 58.200 0.011 0.000 1.003 72 S CB -0.754 62.463 63.200 0.029 0.000 0.813 72 S HN 0.614 nan 8.310 nan 0.000 0.477 73 W N 2.122 123.330 121.300 -0.153 0.000 2.465 73 W HA 0.133 4.809 4.660 0.027 0.000 0.268 73 W C 1.582 177.989 176.519 -0.187 0.000 1.242 73 W CA 0.722 57.978 57.345 -0.147 0.000 1.248 73 W CB -0.243 29.114 29.460 -0.171 0.000 1.118 73 W HN 0.275 nan 8.180 nan 0.000 0.587 74 L N 0.284 121.308 121.223 -0.332 0.000 2.141 74 L HA -0.139 4.217 4.340 0.027 0.000 0.209 74 L C 2.067 178.690 176.870 -0.412 0.000 1.094 74 L CA 1.656 56.117 54.840 -0.631 0.000 0.763 74 L CB -0.581 41.148 42.059 -0.550 0.000 0.908 74 L HN -0.013 nan 8.230 nan 0.000 0.437 75 E N -2.242 117.813 120.200 -0.243 0.000 2.413 75 E HA 0.076 4.443 4.350 0.027 0.000 0.203 75 E C -0.184 176.343 176.600 -0.121 0.000 0.957 75 E CA -0.100 56.210 56.400 -0.149 0.000 0.950 75 E CB 0.923 30.573 29.700 -0.082 0.000 0.957 75 E HN 0.245 nan 8.360 nan 0.000 0.497 76 C N 0.673 119.905 119.300 -0.114 0.000 2.547 76 C HA 0.317 4.794 4.460 0.027 0.000 0.313 76 C C -0.806 174.172 174.990 -0.019 0.000 1.191 76 C CA -1.168 57.816 59.018 -0.056 0.000 1.474 76 C CB 0.872 28.602 27.740 -0.016 0.000 2.081 76 C HN 0.356 nan 8.230 nan 0.000 0.476 77 D N 2.343 122.745 120.400 0.003 0.000 2.478 77 D HA 0.179 4.835 4.640 0.027 0.000 0.234 77 D C -0.460 175.916 176.300 0.127 0.000 1.154 77 D CA 0.529 54.573 54.000 0.073 0.000 0.874 77 D CB 0.619 41.457 40.800 0.063 0.000 1.198 77 D HN 0.484 nan 8.370 nan 0.000 0.455 78 L N 5.377 126.726 121.223 0.210 0.000 2.290 78 L HA 0.265 4.621 4.340 0.027 0.000 0.284 78 L C -1.300 175.634 176.870 0.107 0.000 1.078 78 L CA -1.480 53.461 54.840 0.169 0.000 0.815 78 L CB 1.361 43.530 42.059 0.183 0.000 1.162 78 L HN 0.522 nan 8.230 nan 0.000 0.435 79 P HA -0.149 nan 4.420 nan 0.000 0.218 79 P C 0.673 178.004 177.300 0.050 0.000 1.149 79 P CA 1.040 64.174 63.100 0.057 0.000 0.817 79 P CB 0.242 31.968 31.700 0.043 0.000 0.785 80 E N -0.251 119.974 120.200 0.042 0.000 2.478 80 E HA 0.131 4.497 4.350 0.027 0.000 0.198 80 E C 1.014 177.624 176.600 0.018 0.000 1.046 80 E CA 0.130 56.543 56.400 0.021 0.000 0.870 80 E CB -0.749 28.948 29.700 -0.005 0.000 0.818 80 E HN 0.204 nan 8.360 nan 0.000 0.527 81 A N 1.213 124.054 122.820 0.035 0.000 2.429 81 A HA 0.109 4.445 4.320 0.027 0.000 0.242 81 A C 0.053 177.693 177.584 0.093 0.000 1.088 81 A CA -0.143 51.917 52.037 0.038 0.000 0.784 81 A CB 0.311 19.362 19.000 0.085 0.000 1.038 81 A HN -0.037 nan 8.150 nan 0.000 0.501 82 D N -0.452 120.039 120.400 0.152 0.000 2.326 82 D HA 0.515 5.171 4.640 0.027 0.000 0.248 82 D C -0.516 175.905 176.300 0.201 0.000 1.001 82 D CA 0.045 54.155 54.000 0.183 0.000 0.961 82 D CB 1.423 42.386 40.800 0.273 0.000 1.183 82 D HN 0.410 nan 8.370 nan 0.000 0.502 83 T N 0.508 115.158 114.554 0.160 0.000 2.767 83 T HA 0.522 4.888 4.350 0.027 0.000 0.288 83 T C 0.081 174.876 174.700 0.157 0.000 0.963 83 T CA -0.525 61.677 62.100 0.171 0.000 1.019 83 T CB 0.740 69.682 68.868 0.123 0.000 0.923 83 T HN 0.261 nan 8.240 nan 0.000 0.468 84 V N 1.006 121.043 119.914 0.206 0.000 3.159 84 V HA 0.781 4.917 4.120 0.027 0.000 0.308 84 V C -0.361 175.847 176.094 0.190 0.000 1.190 84 V CA -1.095 61.275 62.300 0.117 0.000 1.037 84 V CB 1.579 33.483 31.823 0.136 0.000 1.060 84 V HN 0.524 nan 8.190 nan 0.000 0.437 85 V N 1.693 121.689 119.914 0.138 0.000 2.649 85 V HA 0.525 4.662 4.120 0.027 0.000 0.292 85 V C 0.007 176.186 176.094 0.142 0.000 1.055 85 V CA -0.085 62.306 62.300 0.151 0.000 1.023 85 V CB 1.445 33.320 31.823 0.086 0.000 0.992 85 V HN 0.751 nan 8.190 nan 0.000 0.480 86 V N 6.768 126.682 119.914 0.002 0.000 2.588 86 V HA 0.445 4.581 4.120 0.027 0.000 0.304 86 V C -2.303 173.676 176.094 -0.192 0.000 1.042 86 V CA -1.657 60.487 62.300 -0.261 0.000 0.877 86 V CB 2.306 33.567 31.823 -0.938 0.000 0.996 86 V HN 0.759 nan 8.190 nan 0.000 0.425 87 P HA 0.491 nan 4.420 nan 0.000 0.276 87 P C -0.775 176.453 177.300 -0.120 0.000 1.244 87 P CA -0.164 62.811 63.100 -0.209 0.000 0.801 87 P CB 1.401 32.995 31.700 -0.178 0.000 1.006 88 S N -0.016 115.624 115.700 -0.100 0.000 2.611 88 S HA 0.397 4.883 4.470 0.027 0.000 0.270 88 S C -1.324 173.211 174.600 -0.109 0.000 1.131 88 S CA -1.035 57.091 58.200 -0.122 0.000 0.826 88 S CB 0.353 63.428 63.200 -0.209 0.000 1.095 88 S HN 0.351 nan 8.310 nan 0.000 0.461 89 N N 0.940 119.513 118.700 -0.211 0.000 2.408 89 N HA 0.446 5.202 4.740 0.027 0.000 0.280 89 N C 0.493 175.840 175.510 -0.273 0.000 1.002 89 N CA -0.830 52.073 53.050 -0.245 0.000 0.907 89 N CB 0.728 39.038 38.487 -0.294 0.000 1.161 89 N HN 0.861 nan 8.380 nan 0.000 0.488 90 W N 2.521 123.690 121.300 -0.217 0.000 2.421 90 W HA -0.071 4.606 4.660 0.028 0.000 0.270 90 W C 1.011 177.515 176.519 -0.025 0.000 1.233 90 W CA 0.724 57.951 57.345 -0.196 0.000 1.226 90 W CB -0.339 29.025 29.460 -0.161 0.000 1.121 90 W HN 0.511 nan 8.180 nan 0.000 0.579 91 Q N 0.564 120.361 119.800 -0.006 0.000 2.124 91 Q HA -0.152 4.204 4.340 0.027 0.000 0.202 91 Q C 2.241 178.199 176.000 -0.071 0.000 0.977 91 Q CA 2.187 57.975 55.803 -0.024 0.000 0.850 91 Q CB -0.629 27.966 28.738 -0.238 0.000 0.901 91 Q HN 0.263 nan 8.270 nan 0.000 0.429 92 M N -0.737 118.776 119.600 -0.145 0.000 2.460 92 M HA -0.097 4.399 4.480 0.027 0.000 0.263 92 M C 0.824 177.175 176.300 0.086 0.000 1.071 92 M CA 1.525 56.764 55.300 -0.102 0.000 1.096 92 M CB -0.720 31.801 32.600 -0.132 0.000 1.408 92 M HN 0.389 nan 8.290 nan 0.000 0.463 93 H N -0.832 118.259 119.070 0.035 0.000 2.551 93 H HA 0.282 4.854 4.556 0.027 0.000 0.271 93 H C 1.222 176.432 175.328 -0.197 0.000 0.984 93 H CA 0.068 56.104 56.048 -0.020 0.000 1.164 93 H CB 0.329 30.160 29.762 0.115 0.000 1.437 93 H HN 0.572 nan 8.280 nan 0.000 0.550 94 G N 0.567 109.370 108.800 0.005 0.000 2.143 94 G HA2 -0.355 3.621 3.960 0.027 0.000 0.249 94 G HA3 -0.355 3.621 3.960 0.027 0.000 0.249 94 G C 0.332 175.122 174.900 -0.184 0.000 0.981 94 G CA 0.273 45.314 45.100 -0.099 0.000 0.665 94 G HN 0.487 nan 8.290 nan 0.000 0.528 95 Y N 1.401 121.713 120.300 0.021 0.000 2.395 95 Y HA 0.298 4.864 4.550 0.027 0.000 0.293 95 Y C 1.574 177.250 175.900 -0.374 0.000 1.123 95 Y CA 1.307 59.297 58.100 -0.184 0.000 1.227 95 Y CB 0.327 38.733 38.460 -0.089 0.000 1.012 95 Y HN 0.624 nan 8.280 nan 0.000 0.552 96 D N -1.670 118.811 120.400 0.135 0.000 2.665 96 D HA 0.481 5.137 4.640 0.027 0.000 0.287 96 D C -1.193 175.203 176.300 0.159 0.000 1.266 96 D CA -0.927 53.154 54.000 0.135 0.000 0.830 96 D CB 0.786 41.804 40.800 0.363 0.000 1.356 96 D HN -0.076 nan 8.370 nan 0.000 0.437 97 A N 0.235 123.156 122.820 0.168 0.000 2.327 97 A HA 0.688 5.024 4.320 0.027 0.000 0.283 97 A C -2.289 175.333 177.584 0.064 0.000 1.127 97 A CA -1.148 50.967 52.037 0.130 0.000 0.810 97 A CB 0.088 19.231 19.000 0.237 0.000 1.066 97 A HN 0.549 nan 8.150 nan 0.000 0.492 98 P HA 0.438 nan 4.420 nan 0.000 0.274 98 P C -0.896 176.568 177.300 0.274 0.000 1.231 98 P CA 0.058 63.099 63.100 -0.098 0.000 0.790 98 P CB 0.824 32.196 31.700 -0.548 0.000 0.951 99 I N 1.993 122.825 120.570 0.437 0.000 2.465 99 I HA 0.262 4.449 4.170 0.027 0.000 0.291 99 I C -0.657 175.639 176.117 0.298 0.000 1.014 99 I CA -0.973 60.572 61.300 0.409 0.000 1.093 99 I CB 1.835 40.005 38.000 0.284 0.000 1.267 99 I HN 0.282 nan 8.210 nan 0.000 0.431 100 Y N 5.946 126.161 120.300 -0.141 0.000 2.478 100 Y HA 0.524 5.090 4.550 0.027 0.000 0.329 100 Y C -0.370 175.369 175.900 -0.269 0.000 0.967 100 Y CA -0.588 57.155 58.100 -0.596 0.000 1.255 100 Y CB 1.164 38.750 38.460 -1.457 0.000 1.103 100 Y HN 0.535 nan 8.280 nan 0.000 0.497 101 T N 5.241 119.288 114.554 -0.846 0.000 2.861 101 T HA 0.249 4.615 4.350 0.027 0.000 0.287 101 T C 0.315 174.546 174.700 -0.782 0.000 1.003 101 T CA -0.591 61.058 62.100 -0.753 0.000 0.977 101 T CB 1.041 69.697 68.868 -0.353 0.000 0.996 101 T HN 0.762 nan 8.240 nan 0.000 0.448 102 N N 3.024 121.298 118.700 -0.710 0.000 2.187 102 N HA 0.005 4.762 4.740 0.027 0.000 0.190 102 N C 1.525 176.789 175.510 -0.410 0.000 1.052 102 N CA 1.732 54.509 53.050 -0.456 0.000 0.863 102 N CB -0.561 37.678 38.487 -0.413 0.000 1.041 102 N HN 0.424 nan 8.380 nan 0.000 0.447 103 V N 0.253 119.860 119.914 -0.512 0.000 2.521 103 V HA 0.118 4.254 4.120 0.027 0.000 0.239 103 V C 0.472 176.269 176.094 -0.495 0.000 1.053 103 V CA 0.782 62.711 62.300 -0.619 0.000 1.073 103 V CB -0.842 30.489 31.823 -0.820 0.000 0.746 103 V HN 0.278 nan 8.190 nan 0.000 0.476 104 T N 1.325 115.653 114.554 -0.377 0.000 2.871 104 T HA 0.098 4.465 4.350 0.027 0.000 0.296 104 T C -0.321 174.257 174.700 -0.203 0.000 0.998 104 T CA 0.367 62.323 62.100 -0.240 0.000 1.162 104 T CB -0.312 68.441 68.868 -0.191 0.000 0.947 104 T HN 0.179 nan 8.240 nan 0.000 0.536 105 Y N 4.746 124.956 120.300 -0.150 0.000 2.550 105 Y HA 0.116 4.682 4.550 0.027 0.000 0.343 105 Y C -0.750 175.034 175.900 -0.193 0.000 1.245 105 Y CA -1.657 56.348 58.100 -0.158 0.000 1.462 105 Y CB 0.424 38.790 38.460 -0.156 0.000 1.340 105 Y HN 0.510 nan 8.280 nan 0.000 0.604 106 P HA -0.003 nan 4.420 nan 0.000 0.245 106 P C -0.378 176.715 177.300 -0.345 0.000 1.212 106 P CA 1.098 64.104 63.100 -0.158 0.000 0.774 106 P CB 0.015 31.654 31.700 -0.102 0.000 0.999 107 I N -5.130 115.219 120.570 -0.368 0.000 2.892 107 I HA 0.480 4.667 4.170 0.027 0.000 0.306 107 I C -0.514 175.477 176.117 -0.209 0.000 1.078 107 I CA -1.225 59.817 61.300 -0.430 0.000 1.032 107 I CB 1.794 39.374 38.000 -0.700 0.000 1.229 107 I HN -0.454 nan 8.210 nan 0.000 0.435 108 T N 2.972 117.444 114.554 -0.137 0.000 2.946 108 T HA 0.125 4.491 4.350 0.027 0.000 0.311 108 T C 0.222 174.910 174.700 -0.020 0.000 1.063 108 T CA -0.186 61.883 62.100 -0.051 0.000 1.139 108 T CB 0.594 69.452 68.868 -0.016 0.000 0.994 108 T HN 0.385 nan 8.240 nan 0.000 0.547 109 V N 4.663 124.579 119.914 0.002 0.000 2.387 109 V HA 0.281 4.418 4.120 0.027 0.000 0.260 109 V C 0.650 176.781 176.094 0.061 0.000 1.054 109 V CA -0.219 62.097 62.300 0.027 0.000 0.967 109 V CB -0.007 31.814 31.823 -0.004 0.000 1.036 109 V HN 0.913 nan 8.190 nan 0.000 0.481 110 N N 5.781 124.565 118.700 0.140 0.000 2.820 110 N HA 0.208 4.964 4.740 0.027 0.000 0.209 110 N C -2.981 172.611 175.510 0.135 0.000 1.406 110 N CA -0.917 52.218 53.050 0.140 0.000 0.916 110 N CB 1.431 40.041 38.487 0.205 0.000 1.532 110 N HN 0.295 nan 8.380 nan 0.000 0.559 111 P HA 0.242 nan 4.420 nan 0.000 0.269 111 P C -2.282 174.783 177.300 -0.392 0.000 1.209 111 P CA -0.755 61.945 63.100 -0.666 0.000 0.776 111 P CB 0.615 31.719 31.700 -0.993 0.000 0.876 112 P HA 0.225 nan 4.420 nan 0.000 0.259 112 P C -0.358 176.816 177.300 -0.209 0.000 1.530 112 P CA -0.278 62.607 63.100 -0.359 0.000 1.022 112 P CB -0.066 31.418 31.700 -0.360 0.000 1.514 113 F N 0.996 121.054 119.950 0.179 0.000 2.380 113 F HA 0.296 4.839 4.527 0.028 0.000 0.325 113 F C 1.390 177.364 175.800 0.290 0.000 1.136 113 F CA -0.643 57.477 58.000 0.200 0.000 1.171 113 F CB 0.854 39.918 39.000 0.107 0.000 1.230 113 F HN -0.195 nan 8.300 nan 0.000 0.554 114 V N -0.918 119.280 119.914 0.472 0.000 3.126 114 V HA 0.690 4.826 4.120 0.027 0.000 0.314 114 V C -2.812 173.441 176.094 0.265 0.000 1.138 114 V CA -2.863 59.632 62.300 0.324 0.000 1.034 114 V CB 1.438 33.497 31.823 0.393 0.000 1.075 114 V HN 0.469 nan 8.190 nan 0.000 0.442 115 P HA 0.190 nan 4.420 nan 0.000 0.268 115 P C 1.031 178.463 177.300 0.219 0.000 1.208 115 P CA 0.621 63.807 63.100 0.144 0.000 0.777 115 P CB 0.547 32.297 31.700 0.083 0.000 0.875 116 T N -1.894 112.761 114.554 0.169 0.000 2.951 116 T HA -0.055 4.311 4.350 0.027 0.000 0.268 116 T C 0.474 175.278 174.700 0.172 0.000 1.073 116 T CA 0.714 62.919 62.100 0.176 0.000 1.134 116 T CB -0.488 68.454 68.868 0.123 0.000 0.884 116 T HN 0.379 nan 8.240 nan 0.000 0.479 117 E N 2.571 122.873 120.200 0.170 0.000 1.996 117 E HA 0.275 4.641 4.350 0.027 0.000 0.280 117 E C -0.781 175.970 176.600 0.252 0.000 1.092 117 E CA -0.382 56.126 56.400 0.180 0.000 0.862 117 E CB 0.259 30.072 29.700 0.188 0.000 1.066 117 E HN 0.249 nan 8.360 nan 0.000 0.396 118 N N 4.626 123.450 118.700 0.206 0.000 2.617 118 N HA 0.229 4.986 4.740 0.027 0.000 0.263 118 N C -2.865 172.676 175.510 0.050 0.000 1.074 118 N CA -2.500 50.711 53.050 0.268 0.000 0.841 118 N CB 1.111 39.744 38.487 0.243 0.000 1.221 118 N HN 0.052 nan 8.380 nan 0.000 0.529 119 P HA -0.006 nan 4.420 nan 0.000 0.259 119 P C -0.831 176.361 177.300 -0.179 0.000 1.163 119 P CA 0.604 63.629 63.100 -0.125 0.000 0.760 119 P CB 0.358 32.304 31.700 0.409 0.000 0.762 120 T N 2.939 117.118 114.554 -0.624 0.000 2.812 120 T HA 0.569 4.936 4.350 0.027 0.000 0.282 120 T C 0.261 174.434 174.700 -0.878 0.000 0.990 120 T CA -0.562 61.240 62.100 -0.496 0.000 0.960 120 T CB 1.559 70.181 68.868 -0.410 0.000 0.948 120 T HN 0.330 nan 8.240 nan 0.000 0.438 121 G N 0.989 109.326 108.800 -0.772 0.000 2.368 121 G HA2 0.492 4.468 3.960 0.027 0.000 0.320 121 G HA3 0.492 4.468 3.960 0.027 0.000 0.320 121 G C -0.389 174.231 174.900 -0.468 0.000 1.158 121 G CA -0.367 44.141 45.100 -0.986 0.000 0.912 121 G HN 0.860 nan 8.290 nan 0.000 0.456 122 C N 3.013 121.829 119.300 -0.806 0.000 2.239 122 C HA 0.524 5.000 4.460 0.027 0.000 0.323 122 C C -0.627 174.333 174.990 -0.050 0.000 1.205 122 C CA -0.834 57.900 59.018 -0.474 0.000 1.584 122 C CB -1.601 25.461 27.740 -1.130 0.000 2.201 122 C HN 0.635 nan 8.230 nan 0.000 0.475 123 Y N 1.850 122.433 120.300 0.471 0.000 2.487 123 Y HA 0.694 5.260 4.550 0.027 0.000 0.337 123 Y C 0.725 177.066 175.900 0.734 0.000 1.076 123 Y CA -0.198 58.273 58.100 0.619 0.000 1.115 123 Y CB 1.733 40.564 38.460 0.619 0.000 1.235 123 Y HN 0.682 nan 8.280 nan 0.000 0.468 124 S N 1.767 117.952 115.700 0.808 0.000 2.596 124 S HA 0.825 5.311 4.470 0.027 0.000 0.270 124 S C -2.065 172.612 174.600 0.127 0.000 1.155 124 S CA -0.807 57.651 58.200 0.430 0.000 0.827 124 S CB 2.224 65.554 63.200 0.217 0.000 1.130 124 S HN 0.591 nan 8.310 nan 0.000 0.467 125 L N 0.646 121.750 121.223 -0.198 0.000 2.513 125 L HA 0.720 5.077 4.340 0.027 0.000 0.261 125 L C -1.149 175.659 176.870 -0.104 0.000 0.945 125 L CA 0.132 54.705 54.840 -0.445 0.000 0.848 125 L CB 2.276 43.571 42.059 -1.274 0.000 1.334 125 L HN 0.937 nan 8.230 nan 0.000 0.407 126 T N 5.489 120.017 114.554 -0.044 0.000 2.758 126 T HA 0.734 5.100 4.350 0.027 0.000 0.285 126 T C -0.817 173.939 174.700 0.094 0.000 0.981 126 T CA -0.013 62.106 62.100 0.031 0.000 0.965 126 T CB 0.239 69.088 68.868 -0.032 0.000 0.927 126 T HN 0.445 nan 8.240 nan 0.000 0.448 127 F N 1.073 120.923 119.950 -0.167 0.000 2.643 127 F HA 0.761 5.305 4.527 0.027 0.000 0.314 127 F C -0.687 175.032 175.800 -0.135 0.000 1.096 127 F CA -1.543 56.360 58.000 -0.163 0.000 0.953 127 F CB 1.356 40.236 39.000 -0.200 0.000 1.345 127 F HN 0.354 nan 8.300 nan 0.000 0.468 128 N N 0.498 119.101 118.700 -0.161 0.000 2.509 128 N HA 0.617 5.373 4.740 0.027 0.000 0.287 128 N C -1.868 173.481 175.510 -0.269 0.000 1.121 128 N CA -0.404 52.492 53.050 -0.256 0.000 0.977 128 N CB 1.880 40.278 38.487 -0.149 0.000 1.167 128 N HN 0.641 nan 8.380 nan 0.000 0.476 129 V N 2.136 121.870 119.914 -0.300 0.000 2.577 129 V HA 0.235 4.371 4.120 0.027 0.000 0.303 129 V C -0.486 175.473 176.094 -0.224 0.000 1.042 129 V CA -0.932 61.202 62.300 -0.278 0.000 0.872 129 V CB 1.391 33.112 31.823 -0.170 0.000 0.998 129 V HN 0.795 nan 8.190 nan 0.000 0.423 130 D N 2.427 122.645 120.400 -0.303 0.000 2.372 130 D HA 0.115 4.771 4.640 0.027 0.000 0.243 130 D C 1.133 177.425 176.300 -0.014 0.000 1.121 130 D CA 0.039 53.949 54.000 -0.150 0.000 0.898 130 D CB 1.343 42.055 40.800 -0.148 0.000 1.202 130 D HN 0.674 nan 8.370 nan 0.000 0.428 131 E N 1.417 121.624 120.200 0.013 0.000 2.160 131 E HA -0.197 4.169 4.350 0.027 0.000 0.195 131 E C 1.706 178.370 176.600 0.107 0.000 0.991 131 E CA 1.639 58.072 56.400 0.054 0.000 0.810 131 E CB -0.336 29.382 29.700 0.030 0.000 0.742 131 E HN 0.458 nan 8.360 nan 0.000 0.466 132 S N -0.987 114.785 115.700 0.121 0.000 2.400 132 S HA -0.179 4.307 4.470 0.027 0.000 0.232 132 S C 1.766 176.461 174.600 0.159 0.000 1.025 132 S CA 1.061 59.340 58.200 0.131 0.000 0.993 132 S CB -0.858 62.424 63.200 0.137 0.000 0.808 132 S HN 0.401 nan 8.310 nan 0.000 0.478 133 W N 1.533 122.757 121.300 -0.127 0.000 2.519 133 W HA 0.376 5.052 4.660 0.027 0.000 0.266 133 W C 1.928 178.491 176.519 0.073 0.000 1.253 133 W CA -0.058 57.184 57.345 -0.171 0.000 1.274 133 W CB -0.380 29.058 29.460 -0.037 0.000 1.114 133 W HN 0.313 nan 8.180 nan 0.000 0.596 134 L N -1.133 120.256 121.223 0.277 0.000 2.463 134 L HA 0.059 4.415 4.340 0.027 0.000 0.219 134 L C 2.090 179.044 176.870 0.140 0.000 1.088 134 L CA 0.387 55.350 54.840 0.205 0.000 0.849 134 L CB -0.658 41.495 42.059 0.156 0.000 1.012 134 L HN -0.136 nan 8.230 nan 0.000 0.468 135 Q N 0.086 119.955 119.800 0.114 0.000 2.167 135 Q HA -0.029 4.327 4.340 0.027 0.000 0.202 135 Q C 0.083 176.132 176.000 0.082 0.000 0.970 135 Q CA 1.040 56.891 55.803 0.079 0.000 0.855 135 Q CB 0.481 29.256 28.738 0.061 0.000 0.911 135 Q HN 0.292 nan 8.270 nan 0.000 0.438 136 E N -1.724 118.544 120.200 0.113 0.000 2.408 136 E HA 0.499 4.865 4.350 0.027 0.000 0.275 136 E C -0.307 176.401 176.600 0.181 0.000 0.935 136 E CA 0.175 56.642 56.400 0.111 0.000 0.775 136 E CB 1.898 31.655 29.700 0.095 0.000 1.277 136 E HN 0.220 nan 8.360 nan 0.000 0.455 137 G N 1.370 110.214 108.800 0.073 0.000 2.760 137 G HA2 -0.231 3.745 3.960 0.027 0.000 0.246 137 G HA3 -0.231 3.745 3.960 0.027 0.000 0.246 137 G C -0.663 174.172 174.900 -0.110 0.000 1.359 137 G CA -0.116 44.946 45.100 -0.063 0.000 0.861 137 G HN 0.501 nan 8.290 nan 0.000 0.541 138 Q N -0.584 118.998 119.800 -0.363 0.000 2.340 138 Q HA 0.651 5.008 4.340 0.027 0.000 0.268 138 Q C -0.898 174.962 176.000 -0.233 0.000 1.031 138 Q CA -0.519 55.167 55.803 -0.196 0.000 0.804 138 Q CB 1.588 30.234 28.738 -0.155 0.000 1.286 138 Q HN 0.627 nan 8.270 nan 0.000 0.448 139 T N 4.969 119.557 114.554 0.056 0.000 2.772 139 T HA 0.465 4.831 4.350 0.027 0.000 0.288 139 T C -0.625 174.190 174.700 0.192 0.000 0.994 139 T CA -0.621 61.610 62.100 0.218 0.000 0.951 139 T CB 0.457 69.594 68.868 0.450 0.000 0.933 139 T HN 0.621 nan 8.240 nan 0.000 0.447 140 R N 2.867 123.464 120.500 0.163 0.000 2.803 140 R HA 0.774 5.130 4.340 0.027 0.000 0.276 140 R C -1.062 175.331 176.300 0.156 0.000 0.978 140 R CA -0.981 55.210 56.100 0.152 0.000 0.939 140 R CB 1.509 31.871 30.300 0.104 0.000 1.179 140 R HN 0.551 nan 8.270 nan 0.000 0.472 141 I N 2.314 122.976 120.570 0.154 0.000 2.498 141 I HA 0.449 4.635 4.170 0.027 0.000 0.301 141 I C -1.046 175.105 176.117 0.055 0.000 0.984 141 I CA -1.200 60.138 61.300 0.062 0.000 1.204 141 I CB 1.258 39.280 38.000 0.037 0.000 1.362 141 I HN 0.620 nan 8.210 nan 0.000 0.471 142 I N 6.996 127.498 120.570 -0.113 0.000 2.478 142 I HA 0.284 4.470 4.170 0.027 0.000 0.287 142 I C -1.349 174.628 176.117 -0.233 0.000 1.042 142 I CA -0.314 60.950 61.300 -0.059 0.000 1.067 142 I CB 1.596 39.574 38.000 -0.037 0.000 1.233 142 I HN 0.371 nan 8.210 nan 0.000 0.431 143 F N 4.529 124.479 119.950 -0.001 0.000 2.332 143 F HA 0.282 4.825 4.527 0.027 0.000 0.368 143 F C 1.309 177.007 175.800 -0.170 0.000 1.110 143 F CA -0.424 57.503 58.000 -0.121 0.000 1.087 143 F CB 0.868 39.765 39.000 -0.172 0.000 1.235 143 F HN 0.468 nan 8.300 nan 0.000 0.470 144 D N 2.403 122.735 120.400 -0.114 0.000 2.264 144 D HA 0.045 4.701 4.640 0.027 0.000 0.208 144 D C 0.972 177.114 176.300 -0.264 0.000 0.966 144 D CA 0.857 54.741 54.000 -0.193 0.000 0.864 144 D CB 0.433 41.058 40.800 -0.291 0.000 0.933 144 D HN 0.628 nan 8.370 nan 0.000 0.499 145 G N -0.255 108.327 108.800 -0.364 0.000 2.505 145 G HA2 0.429 4.405 3.960 0.027 0.000 0.292 145 G HA3 0.429 4.405 3.960 0.027 0.000 0.292 145 G C -1.409 173.203 174.900 -0.480 0.000 1.332 145 G CA -0.405 44.351 45.100 -0.574 0.000 1.286 145 G HN -0.059 nan 8.290 nan 0.000 0.606 146 V N 2.528 122.378 119.914 -0.107 0.000 2.525 146 V HA 0.542 4.678 4.120 0.027 0.000 0.299 146 V C -0.820 175.361 176.094 0.144 0.000 1.034 146 V CA -1.163 61.090 62.300 -0.079 0.000 0.863 146 V CB 1.951 33.475 31.823 -0.499 0.000 0.999 146 V HN 0.694 nan 8.190 nan 0.000 0.423 147 N N 2.507 121.290 118.700 0.139 0.000 2.443 147 N HA 0.340 5.097 4.740 0.027 0.000 0.269 147 N C 0.547 175.991 175.510 -0.109 0.000 0.985 147 N CA 0.126 53.169 53.050 -0.012 0.000 0.921 147 N CB 2.205 40.543 38.487 -0.248 0.000 1.195 147 N HN 0.673 nan 8.380 nan 0.000 0.492 148 S N 1.864 117.534 115.700 -0.049 0.000 2.526 148 S HA 0.593 5.080 4.470 0.027 0.000 0.220 148 S C 0.314 174.972 174.600 0.096 0.000 1.017 148 S CA 0.076 58.297 58.200 0.034 0.000 0.930 148 S CB 0.344 63.574 63.200 0.051 0.000 0.856 148 S HN 0.665 nan 8.310 nan 0.000 0.497 149 A N 0.845 123.734 122.820 0.114 0.000 2.612 149 A HA 0.779 5.116 4.320 0.027 0.000 0.293 149 A C -1.324 176.353 177.584 0.155 0.000 1.075 149 A CA -0.997 51.074 52.037 0.056 0.000 0.680 149 A CB 0.811 19.869 19.000 0.097 0.000 1.279 149 A HN 1.086 nan 8.150 nan 0.000 0.411 150 F N -0.770 118.995 119.950 -0.308 0.000 2.719 150 F HA 0.717 5.260 4.527 0.027 0.000 0.309 150 F C -1.105 174.591 175.800 -0.174 0.000 1.138 150 F CA -0.858 57.062 58.000 -0.135 0.000 0.943 150 F CB 1.118 40.021 39.000 -0.162 0.000 1.304 150 F HN 0.625 nan 8.300 nan 0.000 0.445 151 H N 1.864 121.075 119.070 0.235 0.000 2.472 151 H HA 0.691 5.263 4.556 0.027 0.000 0.338 151 H C -1.429 173.841 175.328 -0.098 0.000 1.133 151 H CA -0.686 55.367 56.048 0.009 0.000 1.216 151 H CB 2.474 32.218 29.762 -0.029 0.000 1.497 151 H HN 0.722 nan 8.280 nan 0.000 0.500 152 L N 3.393 124.373 121.223 -0.405 0.000 2.385 152 L HA 0.393 4.750 4.340 0.027 0.000 0.273 152 L C -1.550 175.016 176.870 -0.507 0.000 0.990 152 L CA -0.552 54.124 54.840 -0.274 0.000 0.821 152 L CB 1.359 43.110 42.059 -0.514 0.000 1.279 152 L HN 0.529 nan 8.230 nan 0.000 0.412 153 W N 4.269 125.544 121.300 -0.041 0.000 2.781 153 W HA 0.628 5.304 4.660 0.028 0.000 0.345 153 W C -1.062 175.410 176.519 -0.079 0.000 1.085 153 W CA -0.796 56.518 57.345 -0.050 0.000 1.198 153 W CB 2.054 31.521 29.460 0.013 0.000 1.423 153 W HN 0.623 nan 8.180 nan 0.000 0.532 154 C N 4.354 123.756 119.300 0.169 0.000 2.446 154 C HA 0.303 4.780 4.460 0.027 0.000 0.329 154 C C 0.199 175.328 174.990 0.231 0.000 1.166 154 C CA -0.376 58.736 59.018 0.157 0.000 1.341 154 C CB -0.402 27.367 27.740 0.048 0.000 1.970 154 C HN 0.816 nan 8.230 nan 0.000 0.452 155 N N 3.524 122.313 118.700 0.149 0.000 2.721 155 N HA -0.188 4.568 4.740 0.027 0.000 0.249 155 N C 1.003 176.580 175.510 0.112 0.000 1.072 155 N CA 2.098 55.208 53.050 0.100 0.000 0.710 155 N CB -1.300 37.250 38.487 0.105 0.000 0.993 155 N HN 1.926 nan 8.380 nan 0.000 0.547 156 G N -1.183 107.678 108.800 0.102 0.000 2.212 156 G HA2 -0.378 3.598 3.960 0.027 0.000 0.266 156 G HA3 -0.378 3.598 3.960 0.027 0.000 0.266 156 G C 0.160 175.231 174.900 0.285 0.000 0.978 156 G CA 0.742 45.897 45.100 0.092 0.000 0.632 156 G HN 0.568 nan 8.290 nan 0.000 0.537 157 R N -0.988 119.752 120.500 0.399 0.000 2.407 157 R HA 0.444 4.800 4.340 0.027 0.000 0.303 157 R C -0.176 176.487 176.300 0.605 0.000 0.981 157 R CA -0.855 55.554 56.100 0.514 0.000 0.905 157 R CB 1.071 31.667 30.300 0.494 0.000 1.099 157 R HN 0.226 nan 8.270 nan 0.000 0.459 158 W N 3.464 124.969 121.300 0.342 0.000 2.216 158 W HA 0.105 4.782 4.660 0.027 0.000 0.326 158 W C 0.068 176.536 176.519 -0.086 0.000 1.319 158 W CA -0.004 57.240 57.345 -0.168 0.000 1.213 158 W CB 0.726 30.052 29.460 -0.223 0.000 1.171 158 W HN 0.318 nan 8.180 nan 0.000 0.557 159 V N 5.031 124.241 119.914 -1.172 0.000 2.806 159 V HA 0.530 4.666 4.120 0.027 0.000 0.239 159 V C 1.023 176.171 176.094 -1.576 0.000 1.113 159 V CA 1.058 62.621 62.300 -1.227 0.000 1.137 159 V CB -0.279 30.825 31.823 -1.198 0.000 0.865 159 V HN 0.850 nan 8.190 nan 0.000 0.482 160 G N -1.699 105.885 108.800 -2.028 0.000 2.341 160 G HA2 0.442 4.418 3.960 0.027 0.000 0.299 160 G HA3 0.442 4.418 3.960 0.027 0.000 0.299 160 G C -2.395 172.030 174.900 -0.792 0.000 1.274 160 G CA -0.182 44.085 45.100 -1.389 0.000 0.853 160 G HN 0.029 nan 8.290 nan 0.000 0.493 161 Y N -0.526 119.511 120.300 -0.437 0.000 2.571 161 Y HA 0.710 5.276 4.550 0.027 0.000 0.341 161 Y C -0.096 175.558 175.900 -0.409 0.000 1.076 161 Y CA 0.002 57.778 58.100 -0.540 0.000 1.029 161 Y CB 2.156 40.448 38.460 -0.281 0.000 1.308 161 Y HN 1.325 nan 8.280 nan 0.000 0.461 162 G N 3.389 111.309 108.800 -1.465 0.000 2.704 162 G HA2 0.591 4.567 3.960 0.027 0.000 0.293 162 G HA3 0.591 4.567 3.960 0.027 0.000 0.293 162 G C -2.138 172.289 174.900 -0.788 0.000 1.421 162 G CA -0.881 43.684 45.100 -0.892 0.000 0.870 162 G HN 0.638 nan 8.290 nan 0.000 0.492 163 Q N -0.454 119.145 119.800 -0.336 0.000 2.668 163 Q HA 0.584 4.941 4.340 0.027 0.000 0.298 163 Q C -1.403 174.594 176.000 -0.005 0.000 1.071 163 Q CA -0.853 54.879 55.803 -0.118 0.000 0.789 163 Q CB 2.616 31.332 28.738 -0.035 0.000 1.497 163 Q HN 0.655 nan 8.270 nan 0.000 0.460 164 D N -0.150 120.285 120.400 0.059 0.000 4.494 164 D HA -0.098 4.559 4.640 0.027 0.000 0.243 164 D C -0.502 175.860 176.300 0.104 0.000 1.082 164 D CA 0.506 54.557 54.000 0.085 0.000 1.170 164 D CB -0.686 40.149 40.800 0.059 0.000 0.792 164 D HN 0.535 nan 8.370 nan 0.000 0.376 165 S N 3.105 118.881 115.700 0.127 0.000 2.537 165 S HA -0.086 4.400 4.470 0.027 0.000 0.240 165 S C 1.538 176.271 174.600 0.221 0.000 0.981 165 S CA 0.615 58.920 58.200 0.176 0.000 0.948 165 S CB 0.206 63.482 63.200 0.126 0.000 0.759 165 S HN 0.468 nan 8.310 nan 0.000 0.531 166 R N 0.087 120.680 120.500 0.155 0.000 2.543 166 R HA 0.428 4.784 4.340 0.027 0.000 0.323 166 R C -0.415 175.947 176.300 0.104 0.000 1.002 166 R CA 0.049 56.241 56.100 0.153 0.000 1.106 166 R CB 0.205 30.620 30.300 0.191 0.000 1.280 166 R HN 0.321 nan 8.270 nan 0.000 0.549 167 L N 1.580 122.836 121.223 0.055 0.000 2.371 167 L HA 0.518 4.874 4.340 0.027 0.000 0.262 167 L C -2.394 174.459 176.870 -0.028 0.000 1.006 167 L CA -2.290 52.553 54.840 0.006 0.000 0.818 167 L CB 2.961 45.016 42.059 -0.006 0.000 1.354 167 L HN -0.215 nan 8.230 nan 0.000 0.415 168 P HA 0.113 nan 4.420 nan 0.000 0.271 168 P C -1.017 176.255 177.300 -0.047 0.000 1.216 168 P CA -0.216 62.844 63.100 -0.067 0.000 0.771 168 P CB 1.111 32.733 31.700 -0.131 0.000 0.864 169 S N 2.096 117.830 115.700 0.057 0.000 2.456 169 S HA 0.315 4.801 4.470 0.027 0.000 0.316 169 S C -0.352 174.218 174.600 -0.050 0.000 1.089 169 S CA -0.558 57.642 58.200 0.000 0.000 1.101 169 S CB 0.796 64.167 63.200 0.285 0.000 0.995 169 S HN 0.363 nan 8.310 nan 0.000 0.468 170 E N 1.947 121.899 120.200 -0.413 0.000 2.222 170 E HA 0.549 4.915 4.350 0.027 0.000 0.267 170 E C -1.438 174.742 176.600 -0.701 0.000 0.884 170 E CA -0.530 55.695 56.400 -0.291 0.000 0.764 170 E CB 1.654 31.289 29.700 -0.110 0.000 1.169 170 E HN 0.416 nan 8.360 nan 0.000 0.413 171 F N 0.727 120.723 119.950 0.077 0.000 2.565 171 F HA 0.196 4.740 4.527 0.028 0.000 0.313 171 F C 0.075 175.889 175.800 0.023 0.000 1.091 171 F CA -1.104 56.902 58.000 0.011 0.000 0.915 171 F CB 1.531 40.502 39.000 -0.048 0.000 1.208 171 F HN 0.277 nan 8.300 nan 0.000 0.453 172 D N 3.083 123.598 120.400 0.192 0.000 2.339 172 D HA 0.187 4.843 4.640 0.027 0.000 0.256 172 D C 0.282 176.711 176.300 0.215 0.000 1.214 172 D CA 0.361 54.462 54.000 0.169 0.000 0.877 172 D CB 0.917 41.799 40.800 0.137 0.000 1.111 172 D HN 0.575 nan 8.370 nan 0.000 0.478 173 L N 2.894 124.251 121.223 0.224 0.000 2.667 173 L HA 0.034 4.390 4.340 0.027 0.000 0.232 173 L C 2.089 179.185 176.870 0.377 0.000 1.138 173 L CA -0.180 54.828 54.840 0.280 0.000 0.921 173 L CB 0.079 42.273 42.059 0.226 0.000 1.180 173 L HN 0.284 nan 8.230 nan 0.000 0.487 174 S N 1.400 117.270 115.700 0.283 0.000 2.381 174 S HA -0.281 4.205 4.470 0.027 0.000 0.230 174 S C 2.004 176.722 174.600 0.197 0.000 1.052 174 S CA 1.903 60.234 58.200 0.219 0.000 1.068 174 S CB -0.133 63.154 63.200 0.146 0.000 0.918 174 S HN 0.571 nan 8.310 nan 0.000 0.448 175 A N -0.737 122.201 122.820 0.195 0.000 2.238 175 A HA 0.335 4.671 4.320 0.027 0.000 0.208 175 A C 1.250 178.756 177.584 -0.129 0.000 1.177 175 A CA 0.311 52.344 52.037 -0.007 0.000 0.804 175 A CB -0.383 18.530 19.000 -0.144 0.000 0.823 175 A HN 0.482 nan 8.150 nan 0.000 0.482 176 F N -0.937 119.057 119.950 0.074 0.000 2.720 176 F HA 0.392 4.936 4.527 0.027 0.000 0.301 176 F C 0.657 176.495 175.800 0.064 0.000 1.103 176 F CA -0.074 57.968 58.000 0.071 0.000 1.291 176 F CB 0.199 39.249 39.000 0.082 0.000 1.086 176 F HN -0.014 nan 8.300 nan 0.000 0.592 177 L N 0.704 122.071 121.223 0.240 0.000 2.376 177 L HA 0.570 4.926 4.340 0.027 0.000 0.267 177 L C 0.121 177.030 176.870 0.066 0.000 1.035 177 L CA -0.958 53.965 54.840 0.138 0.000 0.800 177 L CB 1.185 43.335 42.059 0.152 0.000 1.290 177 L HN -0.079 nan 8.230 nan 0.000 0.462 178 R N 1.101 121.602 120.500 0.001 0.000 2.774 178 R HA 0.694 5.050 4.340 0.027 0.000 0.272 178 R C -1.356 174.914 176.300 -0.050 0.000 1.000 178 R CA -0.640 55.452 56.100 -0.013 0.000 0.906 178 R CB 1.591 31.880 30.300 -0.019 0.000 1.227 178 R HN 0.592 nan 8.270 nan 0.000 0.468 179 A N 1.135 123.935 122.820 -0.034 0.000 2.498 179 A HA 0.498 4.834 4.320 0.027 0.000 0.239 179 A C 0.992 178.522 177.584 -0.090 0.000 1.068 179 A CA 1.196 53.202 52.037 -0.052 0.000 0.766 179 A CB -0.644 18.340 19.000 -0.026 0.000 1.003 179 A HN 1.560 nan 8.150 nan 0.000 0.497 180 G N 1.175 109.901 108.800 -0.123 0.000 2.482 180 G HA2 -0.062 3.915 3.960 0.027 0.000 0.214 180 G HA3 -0.062 3.915 3.960 0.027 0.000 0.214 180 G C -0.480 174.291 174.900 -0.214 0.000 1.271 180 G CA -0.164 44.853 45.100 -0.139 0.000 0.944 180 G HN 0.912 nan 8.290 nan 0.000 0.568 181 E N 1.761 121.845 120.200 -0.194 0.000 2.360 181 E HA 0.394 4.760 4.350 0.027 0.000 0.269 181 E C 0.327 176.738 176.600 -0.314 0.000 1.022 181 E CA 0.017 56.265 56.400 -0.254 0.000 0.887 181 E CB 0.609 30.210 29.700 -0.164 0.000 0.990 181 E HN 0.490 nan 8.360 nan 0.000 0.426 182 N N 1.826 120.215 118.700 -0.518 0.000 2.357 182 N HA 0.373 5.129 4.740 0.027 0.000 0.284 182 N C -0.780 174.530 175.510 -0.333 0.000 1.236 182 N CA -0.654 52.100 53.050 -0.493 0.000 0.774 182 N CB 2.691 40.721 38.487 -0.762 0.000 1.534 182 N HN 0.195 nan 8.380 nan 0.000 0.478 183 R N 1.506 121.963 120.500 -0.072 0.000 2.513 183 R HA 0.498 4.854 4.340 0.027 0.000 0.301 183 R C -1.100 175.284 176.300 0.140 0.000 0.968 183 R CA -0.472 55.659 56.100 0.051 0.000 0.872 183 R CB 1.036 31.315 30.300 -0.035 0.000 1.177 183 R HN 0.484 nan 8.270 nan 0.000 0.444 184 L N 2.797 124.126 121.223 0.177 0.000 2.360 184 L HA 0.776 5.133 4.340 0.027 0.000 0.271 184 L C -0.237 176.678 176.870 0.076 0.000 1.057 184 L CA -0.976 53.954 54.840 0.150 0.000 0.803 184 L CB 1.883 44.017 42.059 0.125 0.000 1.207 184 L HN 0.732 nan 8.230 nan 0.000 0.445 185 A N 2.326 125.217 122.820 0.117 0.000 2.381 185 A HA 0.739 5.075 4.320 0.027 0.000 0.299 185 A C -1.168 176.698 177.584 0.470 0.000 1.049 185 A CA -0.436 51.589 52.037 -0.021 0.000 0.715 185 A CB 1.690 20.174 19.000 -0.860 0.000 1.222 185 A HN 0.354 nan 8.150 nan 0.000 0.428 186 V N 3.008 123.355 119.914 0.722 0.000 2.483 186 V HA 0.505 4.641 4.120 0.027 0.000 0.297 186 V C -0.119 176.499 176.094 0.874 0.000 1.027 186 V CA -0.295 62.435 62.300 0.717 0.000 0.855 186 V CB 1.547 33.599 31.823 0.382 0.000 0.995 186 V HN 0.961 nan 8.190 nan 0.000 0.424 187 M N 5.974 126.103 119.600 0.883 0.000 2.055 187 M HA 0.553 5.049 4.480 0.027 0.000 0.347 187 M C -1.410 175.139 176.300 0.415 0.000 1.123 187 M CA -0.387 55.254 55.300 0.569 0.000 1.035 187 M CB 1.054 34.028 32.600 0.623 0.000 1.484 187 M HN 0.491 nan 8.290 nan 0.000 0.428 188 V N 6.761 126.877 119.914 0.337 0.000 2.383 188 V HA 0.372 4.508 4.120 0.027 0.000 0.275 188 V C -0.044 176.206 176.094 0.260 0.000 1.036 188 V CA -0.638 61.866 62.300 0.341 0.000 0.889 188 V CB 1.271 33.380 31.823 0.477 0.000 0.985 188 V HN 0.798 nan 8.190 nan 0.000 0.459 189 L N 4.900 126.208 121.223 0.143 0.000 2.292 189 L HA 0.507 4.864 4.340 0.027 0.000 0.284 189 L C 1.549 178.429 176.870 0.015 0.000 1.065 189 L CA -0.358 54.493 54.840 0.018 0.000 0.806 189 L CB 1.195 43.176 42.059 -0.128 0.000 1.175 189 L HN 0.637 nan 8.230 nan 0.000 0.431 190 R N 2.723 123.179 120.500 -0.074 0.000 2.066 190 R HA -0.039 4.317 4.340 0.027 0.000 0.232 190 R C -0.396 175.554 176.300 -0.582 0.000 1.131 190 R CA 1.230 57.039 56.100 -0.485 0.000 0.955 190 R CB 0.226 30.082 30.300 -0.740 0.000 0.851 190 R HN 0.573 nan 8.270 nan 0.000 0.432 191 W N 0.071 121.427 121.300 0.094 0.000 2.666 191 W HA 0.438 5.114 4.660 0.027 0.000 0.334 191 W C -0.423 176.201 176.519 0.176 0.000 1.051 191 W CA -0.843 56.565 57.345 0.105 0.000 1.224 191 W CB 1.844 31.369 29.460 0.108 0.000 1.405 191 W HN 0.022 nan 8.180 nan 0.000 0.513 192 S N -1.137 114.843 115.700 0.467 0.000 2.672 192 S HA 0.211 4.697 4.470 0.027 0.000 0.271 192 S C 0.059 174.912 174.600 0.421 0.000 1.171 192 S CA -0.434 58.054 58.200 0.480 0.000 0.817 192 S CB 1.170 64.620 63.200 0.417 0.000 1.150 192 S HN 0.639 nan 8.310 nan 0.000 0.478 193 D N 0.267 120.924 120.400 0.428 0.000 2.309 193 D HA 0.081 4.737 4.640 0.027 0.000 0.212 193 D C 1.739 178.360 176.300 0.534 0.000 0.968 193 D CA 1.090 55.398 54.000 0.513 0.000 0.882 193 D CB -0.650 40.317 40.800 0.278 0.000 0.918 193 D HN 0.699 nan 8.370 nan 0.000 0.503 194 G N 0.113 109.135 108.800 0.372 0.000 2.448 194 G HA2 -0.252 3.724 3.960 0.027 0.000 0.219 194 G HA3 -0.252 3.724 3.960 0.027 0.000 0.219 194 G C 1.700 176.784 174.900 0.307 0.000 1.127 194 G CA 0.652 45.943 45.100 0.318 0.000 0.766 194 G HN 0.304 nan 8.290 nan 0.000 0.552 195 S N -0.133 115.732 115.700 0.276 0.000 2.419 195 S HA -0.089 4.397 4.470 0.027 0.000 0.233 195 S C 1.881 176.570 174.600 0.147 0.000 1.016 195 S CA 0.645 58.971 58.200 0.211 0.000 0.974 195 S CB -0.386 62.952 63.200 0.229 0.000 0.786 195 S HN 0.555 nan 8.310 nan 0.000 0.492 196 Y N 1.134 121.579 120.300 0.241 0.000 2.421 196 Y HA 0.076 4.642 4.550 0.027 0.000 0.292 196 Y C 1.594 177.618 175.900 0.208 0.000 1.136 196 Y CA 0.648 58.817 58.100 0.115 0.000 1.255 196 Y CB -0.170 38.224 38.460 -0.109 0.000 0.991 196 Y HN 0.199 nan 8.280 nan 0.000 0.552 197 L N -0.409 121.021 121.223 0.344 0.000 2.667 197 L HA 0.121 4.477 4.340 0.027 0.000 0.232 197 L C 0.112 177.128 176.870 0.244 0.000 1.138 197 L CA 0.410 55.408 54.840 0.263 0.000 0.921 197 L CB 0.112 42.331 42.059 0.266 0.000 1.180 197 L HN 0.124 nan 8.230 nan 0.000 0.487 198 E N -0.081 120.273 120.200 0.258 0.000 3.646 198 E HA 0.036 4.402 4.350 0.027 0.000 0.211 198 E C -0.435 176.280 176.600 0.191 0.000 1.034 198 E CA -0.081 56.453 56.400 0.224 0.000 1.341 198 E CB 0.473 30.294 29.700 0.202 0.000 1.202 198 E HN 0.033 nan 8.360 nan 0.000 0.447 199 D N 1.128 121.605 120.400 0.128 0.000 2.538 199 D HA 0.019 4.675 4.640 0.027 0.000 0.234 199 D C -0.204 176.099 176.300 0.005 0.000 1.191 199 D CA -0.040 53.927 54.000 -0.056 0.000 0.828 199 D CB 0.114 40.646 40.800 -0.447 0.000 0.981 199 D HN 0.076 nan 8.370 nan 0.000 0.490 200 Q N 0.433 120.329 119.800 0.160 0.000 2.395 200 Q HA 0.101 4.457 4.340 0.027 0.000 0.271 200 Q C -0.067 176.058 176.000 0.209 0.000 1.026 200 Q CA 0.079 56.043 55.803 0.269 0.000 0.900 200 Q CB 0.554 29.611 28.738 0.530 0.000 1.266 200 Q HN 0.046 nan 8.270 nan 0.000 0.430 201 D N 3.109 123.662 120.400 0.255 0.000 2.441 201 D HA 0.154 4.811 4.640 0.027 0.000 0.243 201 D C -0.700 175.753 176.300 0.255 0.000 1.257 201 D CA 0.183 54.311 54.000 0.213 0.000 1.027 201 D CB -0.439 40.492 40.800 0.219 0.000 1.084 201 D HN 0.500 nan 8.370 nan 0.000 0.514 202 M N 0.408 120.131 119.600 0.206 0.000 3.147 202 M HA 0.356 4.852 4.480 0.027 0.000 0.276 202 M C -1.365 175.039 176.300 0.173 0.000 1.211 202 M CA -1.134 54.222 55.300 0.093 0.000 0.820 202 M CB 0.946 33.532 32.600 -0.024 0.000 1.621 202 M HN -0.075 nan 8.290 nan 0.000 0.507 203 W N 1.882 123.275 121.300 0.155 0.000 2.193 203 W HA 0.343 5.019 4.660 0.027 0.000 0.338 203 W C 0.281 176.826 176.519 0.042 0.000 1.310 203 W CA -0.050 57.376 57.345 0.134 0.000 1.243 203 W CB 0.347 29.823 29.460 0.027 0.000 1.165 203 W HN 0.292 nan 8.180 nan 0.000 0.566 204 R N 4.540 125.220 120.500 0.300 0.000 2.204 204 R HA 0.409 4.765 4.340 0.027 0.000 0.341 204 R C -0.160 176.147 176.300 0.012 0.000 1.035 204 R CA -0.235 55.957 56.100 0.154 0.000 0.887 204 R CB 0.130 30.592 30.300 0.270 0.000 1.114 204 R HN 0.555 nan 8.270 nan 0.000 0.473 205 M N 0.234 119.731 119.600 -0.172 0.000 2.792 205 M HA 0.525 5.021 4.480 0.027 0.000 0.290 205 M C 0.005 175.948 176.300 -0.596 0.000 1.155 205 M CA -0.789 54.287 55.300 -0.374 0.000 0.781 205 M CB 2.288 34.665 32.600 -0.372 0.000 1.741 205 M HN 0.629 nan 8.290 nan 0.000 0.473 206 S N -1.198 114.014 115.700 -0.812 0.000 2.636 206 S HA 0.955 5.442 4.470 0.027 0.000 0.268 206 S C -0.633 173.475 174.600 -0.820 0.000 1.159 206 S CA -0.192 57.467 58.200 -0.901 0.000 0.815 206 S CB 1.818 64.277 63.200 -1.235 0.000 1.130 206 S HN 1.419 nan 8.310 nan 0.000 0.471 207 G N -0.164 108.405 108.800 -0.384 0.000 2.343 207 G HA2 0.213 4.189 3.960 0.027 0.000 0.465 207 G HA3 0.213 4.189 3.960 0.027 0.000 0.465 207 G C -1.543 173.386 174.900 0.049 0.000 1.282 207 G CA -0.648 44.519 45.100 0.111 0.000 0.996 207 G HN 1.123 nan 8.290 nan 0.000 0.521 208 I N 2.003 122.452 120.570 -0.202 0.000 2.256 208 I HA 0.288 4.474 4.170 0.027 0.000 0.294 208 I C 1.048 177.028 176.117 -0.229 0.000 1.127 208 I CA -0.254 60.809 61.300 -0.395 0.000 1.247 208 I CB -0.126 37.376 38.000 -0.830 0.000 1.460 208 I HN 0.516 nan 8.210 nan 0.000 0.511 209 F N 4.160 123.959 119.950 -0.252 0.000 2.678 209 F HA 0.474 5.017 4.527 0.027 0.000 0.305 209 F C 0.664 176.382 175.800 -0.136 0.000 1.090 209 F CA -0.629 57.256 58.000 -0.191 0.000 1.272 209 F CB 0.129 39.022 39.000 -0.178 0.000 1.060 209 F HN 0.129 nan 8.300 nan 0.000 0.576 210 R N 0.635 120.657 120.500 -0.797 0.000 2.919 210 R HA 0.257 4.613 4.340 0.027 0.000 0.260 210 R C -0.693 175.391 176.300 -0.361 0.000 1.067 210 R CA -1.162 54.606 56.100 -0.553 0.000 1.003 210 R CB 0.755 30.665 30.300 -0.649 0.000 1.192 210 R HN -0.016 nan 8.270 nan 0.000 0.488 211 D N 0.749 120.984 120.400 -0.275 0.000 2.419 211 D HA 0.096 4.752 4.640 0.027 0.000 0.236 211 D C -0.393 175.769 176.300 -0.231 0.000 1.165 211 D CA 0.375 54.255 54.000 -0.200 0.000 0.882 211 D CB 0.816 41.533 40.800 -0.139 0.000 1.201 211 D HN -0.014 nan 8.370 nan 0.000 0.443 212 V N 0.987 120.773 119.914 -0.212 0.000 2.555 212 V HA 0.561 4.697 4.120 0.027 0.000 0.302 212 V C 0.194 176.165 176.094 -0.205 0.000 1.038 212 V CA -0.522 61.592 62.300 -0.311 0.000 0.887 212 V CB 1.685 33.334 31.823 -0.290 0.000 0.991 212 V HN 0.776 nan 8.190 nan 0.000 0.434 213 S N 4.349 119.907 115.700 -0.237 0.000 2.638 213 S HA 0.869 5.355 4.470 0.027 0.000 0.274 213 S C -1.575 172.975 174.600 -0.084 0.000 1.157 213 S CA -0.831 57.301 58.200 -0.113 0.000 0.826 213 S CB 2.084 65.253 63.200 -0.052 0.000 1.139 213 S HN 0.425 nan 8.310 nan 0.000 0.474 214 L N 1.284 122.526 121.223 0.033 0.000 2.362 214 L HA 0.795 5.151 4.340 0.027 0.000 0.275 214 L C -1.433 175.622 176.870 0.309 0.000 0.998 214 L CA -0.725 54.212 54.840 0.163 0.000 0.820 214 L CB 1.604 43.762 42.059 0.165 0.000 1.270 214 L HN 0.857 nan 8.230 nan 0.000 0.415 215 L N 4.121 125.500 121.223 0.260 0.000 2.385 215 L HA 0.500 4.856 4.340 0.027 0.000 0.273 215 L C -1.143 175.731 176.870 0.006 0.000 0.990 215 L CA -0.197 54.724 54.840 0.135 0.000 0.821 215 L CB 1.417 43.523 42.059 0.078 0.000 1.279 215 L HN 0.636 nan 8.230 nan 0.000 0.412 216 H N 5.173 123.994 119.070 -0.415 0.000 2.488 216 H HA 0.487 5.060 4.556 0.027 0.000 0.322 216 H C -1.244 173.860 175.328 -0.373 0.000 1.078 216 H CA -0.604 55.082 56.048 -0.604 0.000 1.260 216 H CB 1.177 30.095 29.762 -1.407 0.000 1.425 216 H HN 0.539 nan 8.280 nan 0.000 0.471 217 K N 5.468 125.429 120.400 -0.732 0.000 2.318 217 K HA 0.367 4.704 4.320 0.027 0.000 0.249 217 K C -2.714 173.561 176.600 -0.542 0.000 0.942 217 K CA -2.032 53.973 56.287 -0.471 0.000 0.808 217 K CB 2.212 34.530 32.500 -0.303 0.000 1.189 217 K HN 0.485 nan 8.250 nan 0.000 0.428 218 P HA 0.146 nan 4.420 nan 0.000 0.274 218 P C 0.562 177.768 177.300 -0.158 0.000 1.246 218 P CA -0.177 62.823 63.100 -0.167 0.000 0.795 218 P CB 0.486 32.142 31.700 -0.072 0.000 1.006 219 T N -1.114 113.381 114.554 -0.098 0.000 2.788 219 T HA -0.043 4.323 4.350 0.027 0.000 0.268 219 T C 0.578 175.229 174.700 -0.082 0.000 1.044 219 T CA 1.593 63.645 62.100 -0.080 0.000 1.139 219 T CB -0.557 68.285 68.868 -0.043 0.000 0.867 219 T HN 0.423 nan 8.240 nan 0.000 0.454 220 T N 3.666 118.177 114.554 -0.072 0.000 2.738 220 T HA 0.472 4.839 4.350 0.027 0.000 0.298 220 T C -0.291 174.355 174.700 -0.089 0.000 0.962 220 T CA -0.625 61.424 62.100 -0.085 0.000 0.972 220 T CB 0.717 69.549 68.868 -0.062 0.000 0.928 220 T HN 0.468 nan 8.240 nan 0.000 0.474 221 Q N 2.400 122.132 119.800 -0.114 0.000 2.511 221 Q HA 0.586 4.942 4.340 0.027 0.000 0.289 221 Q C -1.273 174.655 176.000 -0.120 0.000 1.021 221 Q CA -1.163 54.563 55.803 -0.128 0.000 0.785 221 Q CB 1.276 29.913 28.738 -0.169 0.000 1.472 221 Q HN 0.463 nan 8.270 nan 0.000 0.411 222 I N 2.625 123.099 120.570 -0.159 0.000 2.436 222 I HA 0.015 4.201 4.170 0.027 0.000 0.289 222 I C 0.731 176.739 176.117 -0.180 0.000 1.083 222 I CA 0.087 61.309 61.300 -0.129 0.000 1.372 222 I CB 0.947 38.835 38.000 -0.187 0.000 1.408 222 I HN 0.858 nan 8.210 nan 0.000 0.516 223 S N 2.614 118.321 115.700 0.013 0.000 2.511 223 S HA 0.214 4.701 4.470 0.027 0.000 0.214 223 S C 0.183 174.999 174.600 0.360 0.000 0.997 223 S CA -0.286 57.993 58.200 0.133 0.000 0.908 223 S CB 0.302 63.538 63.200 0.060 0.000 0.803 223 S HN 0.699 nan 8.310 nan 0.000 0.504 224 D N -0.215 120.381 120.400 0.327 0.000 2.720 224 D HA 0.516 5.172 4.640 0.027 0.000 0.239 224 D C -1.928 174.530 176.300 0.263 0.000 1.218 224 D CA -0.673 53.507 54.000 0.300 0.000 0.748 224 D CB 1.693 42.547 40.800 0.090 0.000 1.387 224 D HN 0.201 nan 8.370 nan 0.000 0.438 225 F N -0.451 119.527 119.950 0.047 0.000 2.650 225 F HA 0.636 5.179 4.527 0.028 0.000 0.310 225 F C -1.572 174.244 175.800 0.027 0.000 1.112 225 F CA -0.735 57.229 58.000 -0.059 0.000 0.986 225 F CB 1.215 40.238 39.000 0.039 0.000 1.285 225 F HN 0.254 nan 8.300 nan 0.000 0.440 226 H N 1.727 120.846 119.070 0.082 0.000 2.600 226 H HA 0.766 5.339 4.556 0.028 0.000 0.357 226 H C -1.323 174.038 175.328 0.056 0.000 1.106 226 H CA -1.528 54.505 56.048 -0.025 0.000 1.193 226 H CB 2.675 32.414 29.762 -0.038 0.000 1.594 226 H HN 0.623 nan 8.280 nan 0.000 0.526 227 V N 1.963 121.969 119.914 0.154 0.000 2.459 227 V HA 0.703 4.839 4.120 0.027 0.000 0.295 227 V C -0.231 175.855 176.094 -0.014 0.000 1.029 227 V CA -0.560 61.783 62.300 0.072 0.000 0.874 227 V CB 1.351 33.212 31.823 0.063 0.000 0.985 227 V HN 0.934 nan 8.190 nan 0.000 0.438 228 A N 3.091 125.878 122.820 -0.056 0.000 2.413 228 A HA 0.961 5.297 4.320 0.027 0.000 0.307 228 A C -0.211 177.262 177.584 -0.185 0.000 1.087 228 A CA -0.519 51.463 52.037 -0.092 0.000 0.750 228 A CB 2.080 21.048 19.000 -0.053 0.000 1.296 228 A HN 0.933 nan 8.150 nan 0.000 0.423 229 T N -0.425 113.998 114.554 -0.218 0.000 2.881 229 T HA 0.699 5.065 4.350 0.027 0.000 0.291 229 T C -0.473 174.003 174.700 -0.372 0.000 0.990 229 T CA -0.825 61.042 62.100 -0.389 0.000 0.976 229 T CB 1.000 69.487 68.868 -0.635 0.000 0.970 229 T HN 0.996 nan 8.240 nan 0.000 0.438 230 R N 2.039 122.267 120.500 -0.453 0.000 2.778 230 R HA 0.834 5.190 4.340 0.027 0.000 0.277 230 R C -1.658 174.306 176.300 -0.559 0.000 0.977 230 R CA -0.918 54.992 56.100 -0.317 0.000 0.950 230 R CB 1.309 31.544 30.300 -0.108 0.000 1.165 230 R HN 0.490 nan 8.270 nan 0.000 0.474 231 F N 0.336 120.271 119.950 -0.025 0.000 2.631 231 F HA 0.350 4.893 4.527 0.026 0.000 0.328 231 F C 0.265 175.935 175.800 -0.216 0.000 1.067 231 F CA -1.008 56.924 58.000 -0.113 0.000 0.969 231 F CB 1.451 40.297 39.000 -0.258 0.000 1.332 231 F HN 0.695 nan 8.300 nan 0.000 0.490 232 N N -0.150 118.537 118.700 -0.021 0.000 2.405 232 N HA 0.073 4.829 4.740 0.027 0.000 0.269 232 N C 0.342 175.710 175.510 -0.238 0.000 1.249 232 N CA -0.229 52.767 53.050 -0.091 0.000 0.974 232 N CB 0.168 38.631 38.487 -0.039 0.000 1.204 232 N HN 0.664 nan 8.380 nan 0.000 0.565 233 D N -1.386 118.922 120.400 -0.153 0.000 2.182 233 D HA -0.233 4.423 4.640 0.027 0.000 0.201 233 D C 0.360 176.565 176.300 -0.158 0.000 0.986 233 D CA 1.511 55.416 54.000 -0.157 0.000 0.847 233 D CB -0.437 40.333 40.800 -0.050 0.000 0.942 233 D HN 0.736 nan 8.370 nan 0.000 0.467 234 D N -1.675 118.677 120.400 -0.080 0.000 2.440 234 D HA 0.017 4.673 4.640 0.027 0.000 0.216 234 D C 0.126 176.574 176.300 0.246 0.000 1.150 234 D CA -0.882 53.182 54.000 0.106 0.000 0.832 234 D CB -0.892 39.977 40.800 0.115 0.000 0.992 234 D HN 0.222 nan 8.370 nan 0.000 0.502 235 F N 0.329 120.339 119.950 0.100 0.000 2.953 235 F HA -0.281 4.261 4.527 0.025 0.000 0.292 235 F C 1.571 177.460 175.800 0.149 0.000 0.747 235 F CA 0.784 58.854 58.000 0.116 0.000 1.222 235 F CB -2.463 36.489 39.000 -0.079 0.000 1.457 235 F HN 0.200 nan 8.300 nan 0.000 0.383 236 S N -0.992 114.825 115.700 0.195 0.000 2.548 236 S HA 0.294 4.781 4.470 0.027 0.000 0.215 236 S C 0.609 175.270 174.600 0.103 0.000 0.976 236 S CA -0.100 58.184 58.200 0.140 0.000 0.908 236 S CB 0.398 63.655 63.200 0.094 0.000 0.781 236 S HN 0.427 nan 8.310 nan 0.000 0.519 237 R N 0.279 120.847 120.500 0.113 0.000 2.673 237 R HA 0.798 5.155 4.340 0.027 0.000 0.281 237 R C -1.315 175.017 176.300 0.053 0.000 0.991 237 R CA -0.397 55.732 56.100 0.048 0.000 0.896 237 R CB 2.199 32.505 30.300 0.009 0.000 1.201 237 R HN 0.237 nan 8.270 nan 0.000 0.457 238 A N 1.737 124.525 122.820 -0.052 0.000 2.527 238 A HA 0.780 5.116 4.320 0.027 0.000 0.293 238 A C -1.246 176.254 177.584 -0.140 0.000 1.117 238 A CA -0.689 51.229 52.037 -0.200 0.000 0.723 238 A CB 2.102 20.965 19.000 -0.229 0.000 1.313 238 A HN 0.334 nan 8.150 nan 0.000 0.411 239 V N 1.214 121.021 119.914 -0.177 0.000 2.531 239 V HA 0.450 4.586 4.120 0.027 0.000 0.301 239 V C -0.586 175.442 176.094 -0.110 0.000 1.034 239 V CA -0.381 61.857 62.300 -0.104 0.000 0.865 239 V CB 1.503 33.267 31.823 -0.099 0.000 0.995 239 V HN 0.810 nan 8.190 nan 0.000 0.424 240 L N 4.301 125.496 121.223 -0.047 0.000 2.264 240 L HA 0.607 4.964 4.340 0.027 0.000 0.289 240 L C -0.033 176.794 176.870 -0.073 0.000 1.044 240 L CA 0.091 54.878 54.840 -0.088 0.000 0.807 240 L CB 1.039 43.079 42.059 -0.031 0.000 1.192 240 L HN 0.802 nan 8.230 nan 0.000 0.425 241 E N 4.291 124.443 120.200 -0.080 0.000 2.165 241 E HA 0.654 5.021 4.350 0.027 0.000 0.266 241 E C -1.400 175.189 176.600 -0.017 0.000 0.889 241 E CA -0.753 55.620 56.400 -0.045 0.000 0.756 241 E CB 1.698 31.372 29.700 -0.043 0.000 1.131 241 E HN 0.702 nan 8.360 nan 0.000 0.411 242 A N 4.655 127.473 122.820 -0.004 0.000 2.310 242 A HA 0.308 4.644 4.320 0.027 0.000 0.304 242 A C -0.652 176.942 177.584 0.016 0.000 1.231 242 A CA -0.658 51.401 52.037 0.036 0.000 0.799 242 A CB 0.974 19.995 19.000 0.035 0.000 1.162 242 A HN 0.730 nan 8.150 nan 0.000 0.486 243 E N 2.613 122.828 120.200 0.025 0.000 2.227 243 E HA 0.542 4.909 4.350 0.027 0.000 0.282 243 E C -1.290 175.281 176.600 -0.050 0.000 1.015 243 E CA -0.359 56.018 56.400 -0.037 0.000 0.823 243 E CB 1.129 30.788 29.700 -0.067 0.000 1.081 243 E HN 0.373 nan 8.360 nan 0.000 0.396 244 V N 4.723 124.619 119.914 -0.029 0.000 2.604 244 V HA 0.302 4.438 4.120 0.027 0.000 0.305 244 V C -0.493 175.662 176.094 0.101 0.000 1.043 244 V CA -0.818 61.507 62.300 0.041 0.000 0.888 244 V CB 1.715 33.544 31.823 0.011 0.000 0.995 244 V HN 0.741 nan 8.190 nan 0.000 0.429 245 Q N 4.109 123.975 119.800 0.110 0.000 2.377 245 Q HA 0.839 5.196 4.340 0.027 0.000 0.271 245 Q C -0.920 175.148 176.000 0.113 0.000 1.077 245 Q CA -0.954 54.917 55.803 0.112 0.000 0.820 245 Q CB 2.784 31.519 28.738 -0.004 0.000 1.347 245 Q HN 0.802 nan 8.270 nan 0.000 0.444 246 M N -0.918 118.673 119.600 -0.016 0.000 2.716 246 M HA 0.751 5.247 4.480 0.027 0.000 0.307 246 M C -1.295 174.912 176.300 -0.156 0.000 1.223 246 M CA -0.493 54.718 55.300 -0.149 0.000 0.871 246 M CB 1.685 34.016 32.600 -0.449 0.000 1.739 246 M HN 0.541 nan 8.290 nan 0.000 0.475 247 C N 0.961 120.179 119.300 -0.138 0.000 2.561 247 C HA 1.031 5.507 4.460 0.027 0.000 0.319 247 C C 0.618 175.527 174.990 -0.135 0.000 1.198 247 C CA 0.676 59.627 59.018 -0.111 0.000 1.665 247 C CB 0.905 28.606 27.740 -0.066 0.000 2.258 247 C HN 1.371 nan 8.230 nan 0.000 0.493 248 G N 1.839 110.568 108.800 -0.117 0.000 2.352 248 G HA2 0.021 3.998 3.960 0.027 0.000 0.324 248 G HA3 0.021 3.998 3.960 0.027 0.000 0.324 248 G C -1.078 173.745 174.900 -0.128 0.000 1.249 248 G CA -0.549 44.484 45.100 -0.111 0.000 1.053 248 G HN 0.881 nan 8.290 nan 0.000 0.492 249 E N 0.238 120.368 120.200 -0.117 0.000 2.152 249 E HA 0.439 4.805 4.350 0.027 0.000 0.285 249 E C 0.320 176.807 176.600 -0.188 0.000 1.043 249 E CA -0.465 55.860 56.400 -0.125 0.000 0.839 249 E CB 0.346 29.997 29.700 -0.081 0.000 1.069 249 E HN 0.440 nan 8.360 nan 0.000 0.399 250 L N 4.933 126.037 121.223 -0.199 0.000 2.416 250 L HA 0.251 4.607 4.340 0.027 0.000 0.272 250 L C 0.377 177.097 176.870 -0.250 0.000 1.161 250 L CA 0.077 54.768 54.840 -0.248 0.000 0.845 250 L CB 0.387 42.323 42.059 -0.205 0.000 1.119 250 L HN 0.447 nan 8.230 nan 0.000 0.464 251 R N 1.556 121.849 120.500 -0.345 0.000 2.668 251 R HA 0.180 4.536 4.340 0.027 0.000 0.272 251 R C -0.213 175.850 176.300 -0.396 0.000 1.019 251 R CA -0.816 55.005 56.100 -0.464 0.000 0.894 251 R CB 1.391 31.064 30.300 -1.045 0.000 1.228 251 R HN 0.501 nan 8.270 nan 0.000 0.460 252 D N 0.959 121.222 120.400 -0.228 0.000 2.265 252 D HA -0.160 4.496 4.640 0.027 0.000 0.208 252 D C 1.439 177.719 176.300 -0.034 0.000 0.977 252 D CA 1.612 55.562 54.000 -0.083 0.000 0.871 252 D CB 0.069 40.867 40.800 -0.003 0.000 0.925 252 D HN 0.584 nan 8.370 nan 0.000 0.485 253 Y N -0.415 119.896 120.300 0.018 0.000 2.490 253 Y HA 0.300 4.867 4.550 0.027 0.000 0.281 253 Y C 0.666 176.570 175.900 0.007 0.000 1.174 253 Y CA -0.549 57.559 58.100 0.013 0.000 1.295 253 Y CB -0.893 37.575 38.460 0.014 0.000 1.062 253 Y HN -0.198 nan 8.280 nan 0.000 0.522 254 L N 2.402 123.587 121.223 -0.062 0.000 2.452 254 L HA 0.345 4.701 4.340 0.027 0.000 0.267 254 L C 0.342 177.212 176.870 0.001 0.000 1.188 254 L CA -0.142 54.720 54.840 0.037 0.000 0.821 254 L CB 0.506 42.593 42.059 0.048 0.000 1.102 254 L HN 0.171 nan 8.230 nan 0.000 0.470 255 R N 1.216 121.605 120.500 -0.185 0.000 2.764 255 R HA 0.670 5.026 4.340 0.027 0.000 0.270 255 R C -1.637 174.337 176.300 -0.542 0.000 1.014 255 R CA -0.791 55.069 56.100 -0.400 0.000 0.904 255 R CB 2.207 32.150 30.300 -0.595 0.000 1.236 255 R HN 0.272 nan 8.270 nan 0.000 0.466 256 V N 0.880 120.522 119.914 -0.453 0.000 2.656 256 V HA 0.480 4.616 4.120 0.027 0.000 0.307 256 V C -0.401 175.647 176.094 -0.076 0.000 1.051 256 V CA -0.532 61.597 62.300 -0.285 0.000 0.893 256 V CB 2.321 33.909 31.823 -0.393 0.000 0.999 256 V HN 0.722 nan 8.190 nan 0.000 0.426 257 T N 3.998 118.622 114.554 0.116 0.000 2.792 257 T HA 0.585 4.951 4.350 0.027 0.000 0.280 257 T C -0.618 174.097 174.700 0.024 0.000 0.990 257 T CA -0.338 61.832 62.100 0.117 0.000 0.960 257 T CB 1.569 70.543 68.868 0.177 0.000 0.939 257 T HN 0.335 nan 8.240 nan 0.000 0.439 258 V N 4.065 123.973 119.914 -0.011 0.000 2.384 258 V HA 0.672 4.808 4.120 0.027 0.000 0.287 258 V C 0.106 176.198 176.094 -0.004 0.000 1.020 258 V CA -0.702 61.588 62.300 -0.018 0.000 0.850 258 V CB 1.579 33.380 31.823 -0.035 0.000 0.987 258 V HN 1.043 nan 8.190 nan 0.000 0.436 259 S N 5.385 121.108 115.700 0.038 0.000 2.566 259 S HA 0.889 5.375 4.470 0.027 0.000 0.298 259 S C -1.127 173.494 174.600 0.035 0.000 1.083 259 S CA -0.798 57.398 58.200 -0.006 0.000 0.978 259 S CB 2.219 65.434 63.200 0.026 0.000 1.073 259 S HN 0.551 nan 8.310 nan 0.000 0.491 260 L N 1.793 122.929 121.223 -0.145 0.000 2.385 260 L HA 0.825 5.182 4.340 0.027 0.000 0.273 260 L C -2.074 174.704 176.870 -0.152 0.000 0.990 260 L CA -0.273 54.583 54.840 0.027 0.000 0.821 260 L CB 1.211 43.297 42.059 0.046 0.000 1.279 260 L HN 0.920 nan 8.230 nan 0.000 0.412 261 W N 3.415 124.820 121.300 0.175 0.000 2.844 261 W HA 0.605 5.281 4.660 0.027 0.000 0.340 261 W C -0.701 175.918 176.519 0.167 0.000 1.093 261 W CA -0.490 56.937 57.345 0.137 0.000 1.212 261 W CB 1.390 30.880 29.460 0.050 0.000 1.422 261 W HN 0.428 nan 8.180 nan 0.000 0.515 262 Q N 2.540 122.508 119.800 0.279 0.000 2.401 262 Q HA 0.484 4.840 4.340 0.027 0.000 0.260 262 Q C 0.573 176.597 176.000 0.041 0.000 1.034 262 Q CA 0.489 56.267 55.803 -0.043 0.000 0.737 262 Q CB 0.898 29.482 28.738 -0.256 0.000 1.227 262 Q HN 0.832 nan 8.270 nan 0.000 0.488 263 G N 3.638 112.465 108.800 0.045 0.000 2.550 263 G HA2 -0.330 3.646 3.960 0.027 0.000 0.277 263 G HA3 -0.330 3.646 3.960 0.027 0.000 0.277 263 G C 0.401 175.377 174.900 0.126 0.000 1.190 263 G CA 0.307 45.436 45.100 0.048 0.000 0.971 263 G HN 0.661 nan 8.290 nan 0.000 0.559 264 E N 1.012 121.274 120.200 0.103 0.000 2.502 264 E HA 0.101 4.467 4.350 0.027 0.000 0.194 264 E C 0.595 177.374 176.600 0.298 0.000 1.062 264 E CA 0.765 57.250 56.400 0.142 0.000 0.867 264 E CB 0.001 29.733 29.700 0.053 0.000 0.888 264 E HN 0.397 nan 8.360 nan 0.000 0.510 265 T N 1.270 115.979 114.554 0.259 0.000 2.771 265 T HA 0.128 4.495 4.350 0.027 0.000 0.291 265 T C -0.046 174.726 174.700 0.119 0.000 0.954 265 T CA -0.270 61.938 62.100 0.179 0.000 1.045 265 T CB 1.727 70.641 68.868 0.076 0.000 0.917 265 T HN 0.010 nan 8.240 nan 0.000 0.484 266 Q N 2.947 122.627 119.800 -0.200 0.000 2.279 266 Q HA 0.277 4.633 4.340 0.027 0.000 0.256 266 Q C 0.368 176.144 176.000 -0.373 0.000 0.937 266 Q CA -0.374 54.978 55.803 -0.751 0.000 0.933 266 Q CB 0.854 28.872 28.738 -1.201 0.000 1.189 266 Q HN 0.537 nan 8.270 nan 0.000 0.417 267 V N 2.815 122.552 119.914 -0.295 0.000 2.599 267 V HA 0.246 4.383 4.120 0.027 0.000 0.245 267 V C 0.303 176.297 176.094 -0.168 0.000 1.046 267 V CA 1.289 63.508 62.300 -0.135 0.000 1.065 267 V CB 0.344 32.169 31.823 0.005 0.000 0.703 267 V HN 0.814 nan 8.190 nan 0.000 0.464 268 A N -1.198 121.483 122.820 -0.232 0.000 2.601 268 A HA 0.763 5.099 4.320 0.027 0.000 0.291 268 A C -0.805 176.657 177.584 -0.204 0.000 1.075 268 A CA 0.120 52.050 52.037 -0.178 0.000 0.671 268 A CB 1.825 20.757 19.000 -0.114 0.000 1.277 268 A HN 0.112 nan 8.150 nan 0.000 0.417 269 S N -0.789 114.824 115.700 -0.145 0.000 2.537 269 S HA 0.818 5.304 4.470 0.027 0.000 0.271 269 S C -0.570 173.986 174.600 -0.074 0.000 1.148 269 S CA 0.269 58.398 58.200 -0.118 0.000 0.868 269 S CB 1.633 64.752 63.200 -0.134 0.000 1.115 269 S HN 2.414 nan 8.310 nan 0.000 0.461 270 G N 1.589 110.359 108.800 -0.050 0.000 2.733 270 G HA2 0.647 4.623 3.960 0.027 0.000 0.297 270 G HA3 0.647 4.623 3.960 0.027 0.000 0.297 270 G C -1.414 173.469 174.900 -0.027 0.000 1.422 270 G CA -0.445 44.631 45.100 -0.041 0.000 0.942 270 G HN 0.750 nan 8.290 nan 0.000 0.510 271 T N -0.244 114.297 114.554 -0.023 0.000 2.900 271 T HA 0.873 5.239 4.350 0.027 0.000 0.295 271 T C -0.326 174.341 174.700 -0.055 0.000 1.044 271 T CA -0.007 62.085 62.100 -0.013 0.000 0.995 271 T CB 1.859 70.755 68.868 0.048 0.000 1.072 271 T HN 1.640 nan 8.240 nan 0.000 0.473 272 A N 3.128 125.882 122.820 -0.109 0.000 2.608 272 A HA 0.901 5.237 4.320 0.027 0.000 0.292 272 A C -3.151 174.303 177.584 -0.217 0.000 1.066 272 A CA -1.559 50.396 52.037 -0.136 0.000 0.676 272 A CB 1.268 20.184 19.000 -0.140 0.000 1.277 272 A HN 0.530 nan 8.150 nan 0.000 0.413 273 P HA 0.532 nan 4.420 nan 0.000 0.278 273 P C -0.576 176.610 177.300 -0.190 0.000 1.258 273 P CA -0.257 62.762 63.100 -0.135 0.000 0.811 273 P CB 0.386 32.066 31.700 -0.034 0.000 1.063 274 F N 0.292 120.202 119.950 -0.068 0.000 2.490 274 F HA 0.441 4.984 4.527 0.027 0.000 0.336 274 F C 1.506 177.288 175.800 -0.030 0.000 1.178 274 F CA 1.681 59.651 58.000 -0.050 0.000 1.301 274 F CB 0.200 39.164 39.000 -0.060 0.000 1.175 274 F HN 0.581 nan 8.300 nan 0.000 0.593 275 G N 1.516 110.443 108.800 0.211 0.000 2.789 275 G HA2 0.354 4.330 3.960 0.027 0.000 0.353 275 G HA3 0.354 4.330 3.960 0.027 0.000 0.353 275 G C -0.523 174.431 174.900 0.091 0.000 1.220 275 G CA -0.738 44.440 45.100 0.130 0.000 1.204 275 G HN 1.030 nan 8.290 nan 0.000 0.574 276 G N 0.710 109.584 108.800 0.123 0.000 2.580 276 G HA2 0.700 4.676 3.960 0.027 0.000 0.278 276 G HA3 0.700 4.676 3.960 0.027 0.000 0.278 276 G C 0.455 175.400 174.900 0.074 0.000 1.212 276 G CA 0.005 45.166 45.100 0.101 0.000 0.939 276 G HN 1.103 nan 8.290 nan 0.000 0.513 277 E N -0.667 119.569 120.200 0.060 0.000 2.408 277 E HA 0.118 4.484 4.350 0.027 0.000 0.259 277 E C -0.322 176.304 176.600 0.044 0.000 1.110 277 E CA -0.780 55.644 56.400 0.041 0.000 0.929 277 E CB 0.578 30.297 29.700 0.032 0.000 0.971 277 E HN 0.062 nan 8.360 nan 0.000 0.438 278 I N 2.282 122.865 120.570 0.021 0.000 2.752 278 I HA -0.155 4.031 4.170 0.027 0.000 0.289 278 I C 1.126 177.252 176.117 0.014 0.000 1.197 278 I CA 0.028 61.332 61.300 0.006 0.000 1.432 278 I CB -0.111 37.889 38.000 -0.001 0.000 1.359 278 I HN 0.670 nan 8.210 nan 0.000 0.571 279 I N 4.153 124.724 120.570 0.001 0.000 3.172 279 I HA 0.065 4.251 4.170 0.027 0.000 0.278 279 I C 0.571 176.686 176.117 -0.004 0.000 1.174 279 I CA 0.820 62.129 61.300 0.015 0.000 1.445 279 I CB -0.584 37.423 38.000 0.010 0.000 1.175 279 I HN 0.656 nan 8.210 nan 0.000 0.447 280 D N -1.336 119.048 120.400 -0.028 0.000 2.970 280 D HA 0.092 4.749 4.640 0.027 0.000 0.344 280 D C 0.333 176.615 176.300 -0.030 0.000 1.365 280 D CA -0.423 53.563 54.000 -0.024 0.000 0.910 280 D CB 0.502 41.287 40.800 -0.026 0.000 1.445 280 D HN -0.260 nan 8.370 nan 0.000 0.532 281 E N -0.970 119.215 120.200 -0.025 0.000 2.267 281 E HA -0.049 4.317 4.350 0.027 0.000 0.197 281 E C 1.315 177.896 176.600 -0.033 0.000 0.998 281 E CA 0.979 57.364 56.400 -0.024 0.000 0.830 281 E CB -0.047 29.642 29.700 -0.018 0.000 0.751 281 E HN 0.205 nan 8.360 nan 0.000 0.491 282 R N -0.242 120.229 120.500 -0.048 0.000 2.334 282 R HA 0.293 4.649 4.340 0.027 0.000 0.216 282 R C 0.761 177.019 176.300 -0.070 0.000 0.905 282 R CA 0.696 56.762 56.100 -0.057 0.000 1.064 282 R CB 0.584 30.843 30.300 -0.069 0.000 1.046 282 R HN 0.215 nan 8.270 nan 0.000 0.508 283 G N -0.733 108.026 108.800 -0.068 0.000 2.341 283 G HA2 -0.085 3.892 3.960 0.027 0.000 0.196 283 G HA3 -0.085 3.892 3.960 0.027 0.000 0.196 283 G C -0.298 174.547 174.900 -0.093 0.000 1.231 283 G CA -0.626 44.433 45.100 -0.068 0.000 1.155 283 G HN 0.437 nan 8.290 nan 0.000 0.529 284 G N -1.959 106.784 108.800 -0.095 0.000 3.140 284 G HA2 0.642 4.618 3.960 0.027 0.000 0.271 284 G HA3 0.642 4.618 3.960 0.027 0.000 0.271 284 G C -1.538 173.262 174.900 -0.167 0.000 1.370 284 G CA -0.766 44.279 45.100 -0.092 0.000 1.014 284 G HN 0.752 nan 8.290 nan 0.000 0.541 285 Y N 0.998 121.310 120.300 0.020 0.000 2.504 285 Y HA 0.411 4.977 4.550 0.026 0.000 0.351 285 Y C 1.458 177.380 175.900 0.037 0.000 0.988 285 Y CA 0.118 58.233 58.100 0.024 0.000 1.239 285 Y CB 1.715 40.196 38.460 0.035 0.000 1.128 285 Y HN 0.540 nan 8.280 nan 0.000 0.525 286 A N 1.823 124.716 122.820 0.121 0.000 2.066 286 A HA -0.143 4.193 4.320 0.027 0.000 0.218 286 A C 1.426 179.070 177.584 0.101 0.000 1.157 286 A CA 1.385 53.474 52.037 0.087 0.000 0.670 286 A CB -0.260 18.750 19.000 0.017 0.000 0.804 286 A HN 0.800 nan 8.150 nan 0.000 0.453 287 D N -0.717 119.745 120.400 0.102 0.000 2.358 287 D HA 0.117 4.773 4.640 0.027 0.000 0.224 287 D C 0.465 176.849 176.300 0.140 0.000 1.123 287 D CA -0.019 53.966 54.000 -0.025 0.000 0.833 287 D CB -0.056 40.705 40.800 -0.065 0.000 0.946 287 D HN 0.412 nan 8.370 nan 0.000 0.505 288 R N -0.808 119.895 120.500 0.338 0.000 2.808 288 R HA 0.739 5.095 4.340 0.027 0.000 0.272 288 R C -1.582 174.874 176.300 0.261 0.000 0.995 288 R CA -1.131 55.160 56.100 0.319 0.000 0.917 288 R CB 3.030 33.375 30.300 0.075 0.000 1.217 288 R HN -0.024 nan 8.270 nan 0.000 0.471 289 V N 0.352 120.298 119.914 0.054 0.000 3.012 289 V HA 0.532 4.668 4.120 0.027 0.000 0.307 289 V C -1.449 174.592 176.094 -0.088 0.000 1.166 289 V CA -0.299 61.943 62.300 -0.096 0.000 0.974 289 V CB 2.771 34.393 31.823 -0.336 0.000 1.040 289 V HN 0.815 nan 8.190 nan 0.000 0.428 290 T N 7.208 121.721 114.554 -0.068 0.000 2.792 290 T HA 0.585 4.952 4.350 0.027 0.000 0.280 290 T C -0.935 173.727 174.700 -0.064 0.000 0.990 290 T CA -0.397 61.672 62.100 -0.053 0.000 0.960 290 T CB 1.059 69.912 68.868 -0.026 0.000 0.939 290 T HN 0.433 nan 8.240 nan 0.000 0.439 291 L N 3.769 124.955 121.223 -0.063 0.000 2.309 291 L HA 0.569 4.925 4.340 0.027 0.000 0.282 291 L C 0.415 177.257 176.870 -0.046 0.000 1.036 291 L CA -0.407 54.396 54.840 -0.061 0.000 0.806 291 L CB 1.382 43.402 42.059 -0.065 0.000 1.220 291 L HN 0.545 nan 8.230 nan 0.000 0.429 292 R N 4.615 125.088 120.500 -0.045 0.000 2.439 292 R HA 0.680 5.037 4.340 0.027 0.000 0.310 292 R C -1.191 175.083 176.300 -0.044 0.000 0.955 292 R CA -0.721 55.353 56.100 -0.043 0.000 0.853 292 R CB 2.045 32.320 30.300 -0.041 0.000 1.171 292 R HN 0.469 nan 8.270 nan 0.000 0.449 293 L N 2.818 124.015 121.223 -0.043 0.000 2.362 293 L HA 0.439 4.795 4.340 0.027 0.000 0.275 293 L C -0.417 176.425 176.870 -0.046 0.000 0.998 293 L CA -1.042 53.771 54.840 -0.045 0.000 0.820 293 L CB 1.999 44.033 42.059 -0.041 0.000 1.270 293 L HN 0.505 nan 8.230 nan 0.000 0.415 294 N N 1.522 120.189 118.700 -0.054 0.000 2.514 294 N HA 0.478 5.234 4.740 0.027 0.000 0.277 294 N C -1.069 174.394 175.510 -0.079 0.000 1.126 294 N CA -0.339 52.675 53.050 -0.061 0.000 0.978 294 N CB 1.787 40.241 38.487 -0.055 0.000 1.106 294 N HN 0.198 nan 8.380 nan 0.000 0.461 295 V N 1.643 121.496 119.914 -0.102 0.000 2.525 295 V HA 0.280 4.416 4.120 0.027 0.000 0.299 295 V C -0.492 175.515 176.094 -0.145 0.000 1.034 295 V CA -0.845 61.353 62.300 -0.170 0.000 0.863 295 V CB 1.490 33.109 31.823 -0.340 0.000 0.999 295 V HN 0.577 nan 8.190 nan 0.000 0.423 296 E N 2.814 122.953 120.200 -0.102 0.000 2.231 296 E HA 0.357 4.723 4.350 0.027 0.000 0.277 296 E C 0.169 176.740 176.600 -0.047 0.000 0.999 296 E CA -0.553 55.813 56.400 -0.056 0.000 0.827 296 E CB 0.900 30.580 29.700 -0.034 0.000 1.101 296 E HN 0.744 nan 8.360 nan 0.000 0.393 297 N N 0.916 119.611 118.700 -0.007 0.000 2.714 297 N HA -0.148 4.608 4.740 0.027 0.000 0.252 297 N C -2.443 173.068 175.510 0.001 0.000 1.014 297 N CA 0.186 53.248 53.050 0.020 0.000 0.735 297 N CB -1.082 37.420 38.487 0.025 0.000 0.924 297 N HN 0.342 nan 8.380 nan 0.000 0.540 298 P HA -0.038 nan 4.420 nan 0.000 0.266 298 P C -0.477 176.858 177.300 0.058 0.000 1.195 298 P CA 0.485 63.481 63.100 -0.173 0.000 0.768 298 P CB 0.696 32.109 31.700 -0.478 0.000 0.838 299 K N 2.769 123.288 120.400 0.199 0.000 2.349 299 K HA 0.278 4.615 4.320 0.027 0.000 0.288 299 K C 0.275 177.044 176.600 0.281 0.000 1.058 299 K CA -0.419 55.982 56.287 0.191 0.000 0.953 299 K CB 0.199 32.781 32.500 0.137 0.000 0.997 299 K HN 0.420 nan 8.250 nan 0.000 0.477 300 L N 2.628 123.954 121.223 0.172 0.000 2.417 300 L HA 0.261 4.617 4.340 0.027 0.000 0.268 300 L C 0.031 177.004 176.870 0.171 0.000 1.158 300 L CA -0.685 54.260 54.840 0.174 0.000 0.819 300 L CB 0.340 42.348 42.059 -0.084 0.000 1.112 300 L HN 0.616 nan 8.230 nan 0.000 0.458 301 W N 3.201 124.543 121.300 0.069 0.000 2.381 301 W HA 0.498 5.173 4.660 0.026 0.000 0.329 301 W C -0.023 176.451 176.519 -0.074 0.000 1.157 301 W CA 0.106 57.474 57.345 0.039 0.000 1.240 301 W CB 1.367 30.903 29.460 0.126 0.000 1.199 301 W HN 0.631 nan 8.180 nan 0.000 0.579 302 S N 2.645 117.833 115.700 -0.853 0.000 2.636 302 S HA 0.609 5.095 4.470 0.027 0.000 0.268 302 S C -0.043 173.795 174.600 -1.269 0.000 1.159 302 S CA -0.363 57.372 58.200 -0.775 0.000 0.815 302 S CB 1.035 64.048 63.200 -0.313 0.000 1.130 302 S HN 1.051 nan 8.310 nan 0.000 0.471 303 A N 0.205 122.455 122.820 -0.950 0.000 2.119 303 A HA 0.128 4.464 4.320 0.027 0.000 0.217 303 A C 1.683 178.960 177.584 -0.512 0.000 1.153 303 A CA 1.214 52.693 52.037 -0.929 0.000 0.692 303 A CB -0.821 17.488 19.000 -1.150 0.000 0.799 303 A HN 0.841 nan 8.150 nan 0.000 0.458 304 E N -0.786 119.241 120.200 -0.289 0.000 2.086 304 E HA 0.127 4.493 4.350 0.027 0.000 0.190 304 E C -0.268 176.195 176.600 -0.227 0.000 0.975 304 E CA 0.632 56.922 56.400 -0.184 0.000 0.813 304 E CB 0.115 29.839 29.700 0.040 0.000 0.768 304 E HN 0.562 nan 8.360 nan 0.000 0.457 305 I N 1.901 122.315 120.570 -0.260 0.000 2.540 305 I HA 0.162 4.348 4.170 0.027 0.000 0.280 305 I C -2.533 173.370 176.117 -0.357 0.000 1.083 305 I CA -1.908 59.260 61.300 -0.220 0.000 1.080 305 I CB 2.396 40.321 38.000 -0.125 0.000 1.205 305 I HN -0.208 nan 8.210 nan 0.000 0.459 306 P HA 0.113 nan 4.420 nan 0.000 0.220 306 P C -0.653 176.648 177.300 0.002 0.000 1.806 306 P CA -0.315 62.474 63.100 -0.519 0.000 0.976 306 P CB -0.232 31.312 31.700 -0.260 0.000 1.952 307 N N 1.838 120.569 118.700 0.052 0.000 2.447 307 N HA 0.136 4.892 4.740 0.027 0.000 0.263 307 N C 0.062 175.797 175.510 0.376 0.000 1.226 307 N CA 0.454 53.599 53.050 0.159 0.000 0.906 307 N CB 0.837 39.414 38.487 0.150 0.000 1.060 307 N HN 0.302 nan 8.380 nan 0.000 0.468 308 L N 2.259 123.618 121.223 0.227 0.000 2.371 308 L HA 0.484 4.841 4.340 0.027 0.000 0.262 308 L C -0.839 176.116 176.870 0.142 0.000 1.006 308 L CA -0.878 54.146 54.840 0.308 0.000 0.818 308 L CB 1.325 43.527 42.059 0.239 0.000 1.354 308 L HN 0.379 nan 8.230 nan 0.000 0.415 309 Y N 0.135 120.588 120.300 0.254 0.000 2.650 309 Y HA 0.663 5.230 4.550 0.027 0.000 0.331 309 Y C -0.200 175.820 175.900 0.199 0.000 1.082 309 Y CA -0.878 57.370 58.100 0.246 0.000 1.171 309 Y CB 1.529 40.194 38.460 0.341 0.000 1.326 309 Y HN 0.366 nan 8.280 nan 0.000 0.513 310 R N 0.998 121.732 120.500 0.390 0.000 2.439 310 R HA 0.787 5.143 4.340 0.027 0.000 0.310 310 R C -1.603 174.885 176.300 0.314 0.000 0.955 310 R CA -0.517 55.741 56.100 0.264 0.000 0.853 310 R CB 0.987 31.374 30.300 0.146 0.000 1.171 310 R HN 0.742 nan 8.270 nan 0.000 0.449 311 A N 3.902 126.849 122.820 0.212 0.000 2.276 311 A HA 0.618 4.954 4.320 0.027 0.000 0.316 311 A C -0.968 176.670 177.584 0.090 0.000 1.229 311 A CA -0.613 51.526 52.037 0.170 0.000 0.851 311 A CB 1.173 20.241 19.000 0.112 0.000 1.165 311 A HN 0.492 nan 8.150 nan 0.000 0.513 312 V N 3.413 123.386 119.914 0.098 0.000 2.448 312 V HA 0.402 4.539 4.120 0.027 0.000 0.295 312 V C -0.417 175.648 176.094 -0.048 0.000 1.025 312 V CA -0.482 61.816 62.300 -0.003 0.000 0.859 312 V CB 1.700 33.543 31.823 0.034 0.000 0.988 312 V HN 0.621 nan 8.190 nan 0.000 0.431 313 V N 4.788 124.607 119.914 -0.159 0.000 2.334 313 V HA 0.438 4.575 4.120 0.027 0.000 0.281 313 V C -0.105 175.931 176.094 -0.098 0.000 1.016 313 V CA -0.563 61.624 62.300 -0.188 0.000 0.832 313 V CB 1.317 32.871 31.823 -0.449 0.000 0.999 313 V HN 0.919 nan 8.190 nan 0.000 0.439 314 E N 3.640 123.836 120.200 -0.006 0.000 2.179 314 E HA 0.544 4.911 4.350 0.027 0.000 0.275 314 E C -1.114 175.590 176.600 0.173 0.000 0.945 314 E CA -0.887 55.560 56.400 0.078 0.000 0.792 314 E CB 2.554 32.316 29.700 0.103 0.000 1.125 314 E HN 0.449 nan 8.360 nan 0.000 0.397 315 L N 4.432 125.739 121.223 0.140 0.000 2.282 315 L HA 0.435 4.791 4.340 0.027 0.000 0.288 315 L C -0.990 176.001 176.870 0.202 0.000 1.033 315 L CA 0.115 55.027 54.840 0.120 0.000 0.807 315 L CB 0.163 42.269 42.059 0.078 0.000 1.209 315 L HN 0.724 nan 8.230 nan 0.000 0.423 316 H N 0.051 119.165 119.070 0.074 0.000 2.905 316 H HA 0.747 5.319 4.556 0.027 0.000 0.280 316 H C -0.820 174.582 175.328 0.122 0.000 1.445 316 H CA -0.550 55.544 56.048 0.077 0.000 1.165 316 H CB 0.632 30.421 29.762 0.044 0.000 1.857 316 H HN 0.502 nan 8.280 nan 0.000 0.567 317 T N -2.193 112.521 114.554 0.267 0.000 2.927 317 T HA 0.577 4.944 4.350 0.027 0.000 0.281 317 T C 1.372 176.213 174.700 0.235 0.000 0.998 317 T CA -0.403 61.834 62.100 0.229 0.000 1.019 317 T CB 1.587 70.540 68.868 0.141 0.000 1.061 317 T HN 0.928 nan 8.240 nan 0.000 0.518 318 A N 0.997 123.924 122.820 0.177 0.000 1.972 318 A HA -0.080 4.256 4.320 0.027 0.000 0.219 318 A C 1.848 179.501 177.584 0.115 0.000 1.169 318 A CA 1.901 54.023 52.037 0.142 0.000 0.635 318 A CB -1.264 17.804 19.000 0.114 0.000 0.810 318 A HN 1.018 nan 8.150 nan 0.000 0.446 319 D N -2.004 118.436 120.400 0.068 0.000 2.378 319 D HA 0.226 4.883 4.640 0.027 0.000 0.222 319 D C 1.142 177.469 176.300 0.044 0.000 0.980 319 D CA 1.194 55.212 54.000 0.029 0.000 0.907 319 D CB -0.499 40.287 40.800 -0.024 0.000 0.899 319 D HN 0.862 nan 8.370 nan 0.000 0.527 320 G N -1.383 107.475 108.800 0.097 0.000 2.134 320 G HA2 -0.203 3.773 3.960 0.027 0.000 0.209 320 G HA3 -0.203 3.773 3.960 0.027 0.000 0.209 320 G C 0.120 175.041 174.900 0.035 0.000 0.993 320 G CA 0.112 45.241 45.100 0.048 0.000 0.669 320 G HN 0.439 nan 8.290 nan 0.000 0.519 321 T N 1.203 115.799 114.554 0.071 0.000 2.799 321 T HA 0.565 4.931 4.350 0.027 0.000 0.286 321 T C 0.191 174.948 174.700 0.095 0.000 0.973 321 T CA -0.367 61.764 62.100 0.051 0.000 1.035 321 T CB 2.077 70.966 68.868 0.035 0.000 0.932 321 T HN 0.541 nan 8.240 nan 0.000 0.469 322 L N 4.424 125.682 121.223 0.058 0.000 2.380 322 L HA 0.389 4.746 4.340 0.027 0.000 0.273 322 L C 0.725 177.647 176.870 0.085 0.000 1.138 322 L CA 0.308 55.197 54.840 0.083 0.000 0.832 322 L CB 0.126 42.204 42.059 0.033 0.000 1.124 322 L HN 0.712 nan 8.230 nan 0.000 0.454 323 I N 2.328 122.962 120.570 0.107 0.000 2.512 323 I HA 0.133 4.320 4.170 0.027 0.000 0.247 323 I C 0.221 176.364 176.117 0.044 0.000 1.094 323 I CA 0.439 61.783 61.300 0.073 0.000 1.427 323 I CB 0.104 38.150 38.000 0.077 0.000 1.149 323 I HN 0.799 nan 8.210 nan 0.000 0.438 324 E N 0.155 120.383 120.200 0.046 0.000 2.422 324 E HA 0.704 5.071 4.350 0.027 0.000 0.280 324 E C -1.507 175.116 176.600 0.040 0.000 1.091 324 E CA -1.101 55.317 56.400 0.031 0.000 0.849 324 E CB 1.622 31.306 29.700 -0.027 0.000 1.353 324 E HN -0.009 nan 8.360 nan 0.000 0.449 325 A N 0.969 123.834 122.820 0.076 0.000 2.414 325 A HA 0.710 5.046 4.320 0.027 0.000 0.306 325 A C -1.010 176.683 177.584 0.181 0.000 1.054 325 A CA -0.708 51.380 52.037 0.084 0.000 0.724 325 A CB 1.654 20.702 19.000 0.080 0.000 1.267 325 A HN 0.495 nan 8.150 nan 0.000 0.418 326 E N -0.328 119.905 120.200 0.056 0.000 2.393 326 E HA 0.862 5.228 4.350 0.027 0.000 0.265 326 E C -0.491 176.135 176.600 0.043 0.000 0.941 326 E CA -0.488 55.998 56.400 0.143 0.000 0.801 326 E CB 2.382 32.045 29.700 -0.062 0.000 1.313 326 E HN 1.259 nan 8.360 nan 0.000 0.435 327 A N -0.211 122.745 122.820 0.226 0.000 2.566 327 A HA 0.703 5.039 4.320 0.027 0.000 0.290 327 A C -1.219 176.560 177.584 0.324 0.000 1.071 327 A CA -0.349 51.754 52.037 0.111 0.000 0.658 327 A CB 0.629 19.615 19.000 -0.023 0.000 1.285 327 A HN 0.881 nan 8.150 nan 0.000 0.427 328 C N -0.692 118.752 119.300 0.241 0.000 3.311 328 C HA 0.815 5.291 4.460 0.027 0.000 0.325 328 C C -1.355 173.731 174.990 0.160 0.000 1.352 328 C CA -0.927 58.233 59.018 0.237 0.000 1.308 328 C CB 1.064 28.956 27.740 0.254 0.000 1.619 328 C HN 0.821 nan 8.230 nan 0.000 0.469 329 D N 0.937 121.415 120.400 0.130 0.000 2.302 329 D HA 0.576 5.232 4.640 0.027 0.000 0.248 329 D C -0.391 175.964 176.300 0.092 0.000 1.094 329 D CA 0.172 54.249 54.000 0.129 0.000 0.897 329 D CB 1.830 42.710 40.800 0.132 0.000 1.200 329 D HN 0.557 nan 8.370 nan 0.000 0.429 330 V N 1.093 121.089 119.914 0.137 0.000 2.540 330 V HA 0.669 4.805 4.120 0.027 0.000 0.302 330 V C 0.533 176.699 176.094 0.120 0.000 1.035 330 V CA -0.890 61.438 62.300 0.048 0.000 0.873 330 V CB 2.085 33.920 31.823 0.020 0.000 0.992 330 V HN 0.601 nan 8.190 nan 0.000 0.428 331 G N 3.000 111.756 108.800 -0.073 0.000 2.502 331 G HA2 0.605 4.581 3.960 0.027 0.000 0.311 331 G HA3 0.605 4.581 3.960 0.027 0.000 0.311 331 G C -1.014 173.942 174.900 0.094 0.000 1.270 331 G CA -0.370 44.748 45.100 0.030 0.000 0.948 331 G HN 0.425 nan 8.290 nan 0.000 0.487 332 F N 4.019 124.159 119.950 0.316 0.000 2.434 332 F HA 0.439 4.982 4.527 0.027 0.000 0.358 332 F C 1.158 177.231 175.800 0.456 0.000 1.136 332 F CA -0.076 58.176 58.000 0.420 0.000 1.157 332 F CB 0.664 39.921 39.000 0.429 0.000 1.167 332 F HN 0.460 nan 8.300 nan 0.000 0.539 333 R N 3.117 123.918 120.500 0.502 0.000 2.634 333 R HA 0.395 4.751 4.340 0.027 0.000 0.263 333 R C -1.864 174.588 176.300 0.253 0.000 1.060 333 R CA -0.801 55.426 56.100 0.211 0.000 0.898 333 R CB 1.609 32.071 30.300 0.269 0.000 1.253 333 R HN 0.579 nan 8.270 nan 0.000 0.461 334 E N 2.083 122.331 120.200 0.079 0.000 2.195 334 E HA 0.513 4.879 4.350 0.027 0.000 0.271 334 E C -1.243 175.418 176.600 0.101 0.000 0.923 334 E CA -0.978 55.548 56.400 0.211 0.000 0.790 334 E CB 2.220 32.127 29.700 0.345 0.000 1.155 334 E HN 0.395 nan 8.360 nan 0.000 0.402 335 V N 4.946 124.918 119.914 0.096 0.000 2.487 335 V HA 0.578 4.714 4.120 0.027 0.000 0.298 335 V C -0.338 175.792 176.094 0.061 0.000 1.028 335 V CA -0.674 61.654 62.300 0.047 0.000 0.860 335 V CB 1.419 33.250 31.823 0.012 0.000 0.991 335 V HN 0.753 nan 8.190 nan 0.000 0.427 336 R N 4.259 124.791 120.500 0.053 0.000 2.692 336 R HA 0.712 5.068 4.340 0.027 0.000 0.269 336 R C -2.146 174.179 176.300 0.042 0.000 1.030 336 R CA -0.911 55.224 56.100 0.059 0.000 0.882 336 R CB 1.938 32.289 30.300 0.086 0.000 1.250 336 R HN 0.527 nan 8.270 nan 0.000 0.465 337 I N 1.315 121.910 120.570 0.042 0.000 2.354 337 I HA 0.372 4.558 4.170 0.027 0.000 0.292 337 I C -0.554 175.585 176.117 0.037 0.000 0.989 337 I CA -0.449 60.870 61.300 0.032 0.000 1.188 337 I CB 1.859 39.879 38.000 0.034 0.000 1.342 337 I HN 0.686 nan 8.210 nan 0.000 0.457 338 E N 5.328 125.546 120.200 0.030 0.000 2.290 338 E HA 0.238 4.605 4.350 0.027 0.000 0.274 338 E C -0.290 176.324 176.600 0.022 0.000 0.889 338 E CA -0.560 55.859 56.400 0.032 0.000 0.760 338 E CB 1.157 30.882 29.700 0.042 0.000 1.206 338 E HN 0.554 nan 8.360 nan 0.000 0.419 339 N N 2.855 121.568 118.700 0.021 0.000 2.693 339 N HA -0.248 4.508 4.740 0.027 0.000 0.249 339 N C 0.410 175.926 175.510 0.009 0.000 1.119 339 N CA 2.143 55.202 53.050 0.015 0.000 0.717 339 N CB -1.091 37.404 38.487 0.013 0.000 1.071 339 N HN 0.931 nan 8.380 nan 0.000 0.555 340 G N -2.453 106.353 108.800 0.009 0.000 2.175 340 G HA2 -0.262 3.714 3.960 0.027 0.000 0.244 340 G HA3 -0.262 3.714 3.960 0.027 0.000 0.244 340 G C -0.142 174.752 174.900 -0.010 0.000 0.982 340 G CA 0.378 45.479 45.100 0.001 0.000 0.641 340 G HN 0.442 nan 8.290 nan 0.000 0.527 341 L N 0.142 121.360 121.223 -0.009 0.000 2.362 341 L HA 0.715 5.071 4.340 0.027 0.000 0.271 341 L C 0.051 176.909 176.870 -0.021 0.000 1.002 341 L CA -1.328 53.498 54.840 -0.023 0.000 0.818 341 L CB 1.915 43.961 42.059 -0.023 0.000 1.298 341 L HN 0.104 nan 8.230 nan 0.000 0.420 342 L N 4.350 125.548 121.223 -0.041 0.000 2.313 342 L HA 0.436 4.793 4.340 0.027 0.000 0.282 342 L C -0.862 175.981 176.870 -0.046 0.000 1.092 342 L CA 0.391 55.208 54.840 -0.039 0.000 0.831 342 L CB 0.348 42.370 42.059 -0.062 0.000 1.159 342 L HN 0.381 nan 8.230 nan 0.000 0.442 343 L N 6.050 127.261 121.223 -0.020 0.000 2.334 343 L HA 0.537 4.893 4.340 0.027 0.000 0.276 343 L C -0.811 176.052 176.870 -0.012 0.000 1.014 343 L CA -0.818 54.016 54.840 -0.009 0.000 0.815 343 L CB 1.874 43.950 42.059 0.028 0.000 1.268 343 L HN 0.551 nan 8.230 nan 0.000 0.428 344 L N 4.113 125.334 121.223 -0.004 0.000 2.343 344 L HA 0.482 4.838 4.340 0.027 0.000 0.278 344 L C -0.141 176.701 176.870 -0.048 0.000 0.996 344 L CA 0.009 54.846 54.840 -0.005 0.000 0.831 344 L CB 0.826 42.885 42.059 0.001 0.000 1.232 344 L HN 0.608 nan 8.230 nan 0.000 0.413 345 N N 4.005 122.519 118.700 -0.311 0.000 2.725 345 N HA -0.221 4.535 4.740 0.027 0.000 0.249 345 N C 0.918 175.918 175.510 -0.850 0.000 1.103 345 N CA 1.329 53.796 53.050 -0.971 0.000 0.707 345 N CB -1.406 36.484 38.487 -0.996 0.000 1.043 345 N HN 1.187 nan 8.380 nan 0.000 0.553 346 G N -2.081 106.576 108.800 -0.239 0.000 2.179 346 G HA2 -0.346 3.630 3.960 0.027 0.000 0.260 346 G HA3 -0.346 3.630 3.960 0.027 0.000 0.260 346 G C -0.059 174.856 174.900 0.025 0.000 0.977 346 G CA 0.892 46.016 45.100 0.040 0.000 0.641 346 G HN 0.413 nan 8.290 nan 0.000 0.533 347 K N 0.712 121.120 120.400 0.012 0.000 2.259 347 K HA 0.553 4.889 4.320 0.027 0.000 0.249 347 K C -2.840 173.732 176.600 -0.047 0.000 0.942 347 K CA -2.226 54.040 56.287 -0.035 0.000 0.816 347 K CB 2.384 34.799 32.500 -0.141 0.000 1.155 347 K HN 0.030 nan 8.250 nan 0.000 0.428 348 P HA 0.196 nan 4.420 nan 0.000 0.276 348 P C -0.107 177.131 177.300 -0.104 0.000 1.253 348 P CA -0.198 62.854 63.100 -0.079 0.000 0.766 348 P CB 0.434 32.090 31.700 -0.073 0.000 0.845 349 L N 3.352 124.509 121.223 -0.109 0.000 2.464 349 L HA 0.280 4.636 4.340 0.027 0.000 0.264 349 L C 0.656 177.447 176.870 -0.132 0.000 1.199 349 L CA -0.516 54.250 54.840 -0.123 0.000 0.818 349 L CB 0.281 42.226 42.059 -0.190 0.000 1.102 349 L HN 0.262 nan 8.230 nan 0.000 0.473 350 L N 3.537 124.700 121.223 -0.101 0.000 2.442 350 L HA 0.411 4.767 4.340 0.027 0.000 0.261 350 L C -0.594 176.234 176.870 -0.069 0.000 1.000 350 L CA -0.204 54.562 54.840 -0.124 0.000 0.882 350 L CB 0.770 42.781 42.059 -0.080 0.000 1.207 350 L HN 0.240 nan 8.230 nan 0.000 0.443 351 I N 4.556 125.018 120.570 -0.179 0.000 2.436 351 I HA 0.180 4.367 4.170 0.027 0.000 0.289 351 I C 0.587 176.684 176.117 -0.033 0.000 1.083 351 I CA 0.271 61.485 61.300 -0.144 0.000 1.372 351 I CB 0.371 38.160 38.000 -0.352 0.000 1.408 351 I HN 0.553 nan 8.210 nan 0.000 0.516 352 R N 4.840 125.401 120.500 0.102 0.000 2.666 352 R HA 0.450 4.806 4.340 0.027 0.000 0.275 352 R C 0.485 176.922 176.300 0.229 0.000 1.266 352 R CA -0.285 55.921 56.100 0.177 0.000 1.401 352 R CB 0.936 31.164 30.300 -0.121 0.000 1.145 352 R HN 0.774 nan 8.270 nan 0.000 0.581 353 G N 0.211 109.117 108.800 0.177 0.000 2.552 353 G HA2 0.593 4.569 3.960 0.027 0.000 0.324 353 G HA3 0.593 4.569 3.960 0.027 0.000 0.324 353 G C -1.285 173.931 174.900 0.526 0.000 1.217 353 G CA -0.459 44.741 45.100 0.167 0.000 0.989 353 G HN 0.240 nan 8.290 nan 0.000 0.490 354 V N 0.015 120.209 119.914 0.467 0.000 3.012 354 V HA 0.455 4.591 4.120 0.027 0.000 0.307 354 V C -1.147 175.096 176.094 0.249 0.000 1.166 354 V CA -1.216 61.241 62.300 0.261 0.000 0.974 354 V CB 2.219 33.910 31.823 -0.220 0.000 1.040 354 V HN 0.756 nan 8.190 nan 0.000 0.428 355 N N 4.364 123.135 118.700 0.119 0.000 2.514 355 N HA 0.425 5.181 4.740 0.027 0.000 0.277 355 N C -0.689 174.658 175.510 -0.272 0.000 1.126 355 N CA -0.226 52.758 53.050 -0.110 0.000 0.978 355 N CB 1.392 39.756 38.487 -0.205 0.000 1.106 355 N HN 0.641 nan 8.380 nan 0.000 0.461 356 R N 2.167 122.471 120.500 -0.327 0.000 2.514 356 R HA 0.219 4.575 4.340 0.027 0.000 0.296 356 R C -0.959 175.117 176.300 -0.373 0.000 1.012 356 R CA -0.551 55.379 56.100 -0.283 0.000 0.897 356 R CB 0.889 31.006 30.300 -0.304 0.000 1.184 356 R HN 0.588 nan 8.270 nan 0.000 0.440 357 H N 2.086 121.030 119.070 -0.210 0.000 2.508 357 H HA 0.144 4.717 4.556 0.028 0.000 0.358 357 H C -0.493 174.838 175.328 0.005 0.000 1.212 357 H CA 0.055 56.060 56.048 -0.071 0.000 1.356 357 H CB 1.424 31.203 29.762 0.029 0.000 1.525 357 H HN 0.559 nan 8.280 nan 0.000 0.578 358 E N 1.643 122.028 120.200 0.308 0.000 2.001 358 E HA 0.126 4.492 4.350 0.027 0.000 0.279 358 E C -0.789 175.966 176.600 0.258 0.000 1.045 358 E CA -0.051 56.460 56.400 0.185 0.000 0.833 358 E CB 0.367 30.193 29.700 0.211 0.000 1.077 358 E HN 0.383 nan 8.360 nan 0.000 0.397 359 H N 1.613 120.747 119.070 0.107 0.000 2.954 359 H HA 0.260 4.833 4.556 0.027 0.000 0.361 359 H C -1.722 173.656 175.328 0.084 0.000 1.122 359 H CA -0.656 55.449 56.048 0.096 0.000 1.217 359 H CB 1.132 30.940 29.762 0.077 0.000 1.776 359 H HN 0.399 nan 8.280 nan 0.000 0.533 360 H N 6.111 124.789 119.070 -0.654 0.000 2.689 360 H HA 0.214 4.786 4.556 0.027 0.000 0.346 360 H C -2.296 172.663 175.328 -0.614 0.000 1.037 360 H CA -2.376 53.425 56.048 -0.412 0.000 1.234 360 H CB 2.705 32.367 29.762 -0.166 0.000 1.572 360 H HN 0.542 nan 8.280 nan 0.000 0.524 361 P HA -0.083 nan 4.420 nan 0.000 0.222 361 P C 1.173 178.371 177.300 -0.171 0.000 1.147 361 P CA 0.806 63.752 63.100 -0.256 0.000 0.790 361 P CB 0.862 32.453 31.700 -0.182 0.000 0.780 362 L N -1.990 119.234 121.223 0.001 0.000 2.362 362 L HA 0.123 4.479 4.340 0.027 0.000 0.204 362 L C 2.199 178.929 176.870 -0.233 0.000 1.060 362 L CA 0.583 55.324 54.840 -0.165 0.000 0.827 362 L CB -0.599 41.248 42.059 -0.354 0.000 1.027 362 L HN -0.015 nan 8.230 nan 0.000 0.474 363 H N -0.460 118.593 119.070 -0.028 0.000 2.539 363 H HA 0.221 4.793 4.556 0.027 0.000 0.269 363 H C 1.453 176.679 175.328 -0.169 0.000 0.980 363 H CA 0.168 56.097 56.048 -0.198 0.000 1.152 363 H CB 0.382 29.899 29.762 -0.409 0.000 1.407 363 H HN 0.413 nan 8.280 nan 0.000 0.564 364 G N 1.492 110.214 108.800 -0.130 0.000 2.557 364 G HA2 -0.406 3.570 3.960 0.027 0.000 0.292 364 G HA3 -0.406 3.570 3.960 0.027 0.000 0.292 364 G C 0.714 175.523 174.900 -0.152 0.000 1.162 364 G CA 0.469 45.432 45.100 -0.228 0.000 0.964 364 G HN 0.472 nan 8.290 nan 0.000 0.541 365 Q N -0.089 119.656 119.800 -0.091 0.000 2.219 365 Q HA 0.463 4.820 4.340 0.027 0.000 0.209 365 Q C 0.318 176.420 176.000 0.170 0.000 0.854 365 Q CA -0.113 55.684 55.803 -0.010 0.000 0.960 365 Q CB 1.328 29.946 28.738 -0.200 0.000 1.116 365 Q HN 0.373 nan 8.270 nan 0.000 0.500 366 V N 2.193 122.183 119.914 0.127 0.000 2.488 366 V HA 0.144 4.281 4.120 0.027 0.000 0.277 366 V C 0.177 176.325 176.094 0.089 0.000 1.046 366 V CA 0.212 62.590 62.300 0.129 0.000 0.986 366 V CB 0.782 32.611 31.823 0.011 0.000 0.989 366 V HN 0.320 nan 8.190 nan 0.000 0.475 367 M N 5.455 125.112 119.600 0.094 0.000 2.423 367 M HA 0.507 5.003 4.480 0.027 0.000 0.335 367 M C -0.329 175.928 176.300 -0.072 0.000 1.177 367 M CA -0.428 54.881 55.300 0.014 0.000 1.038 367 M CB 1.814 34.379 32.600 -0.059 0.000 1.641 367 M HN 0.847 nan 8.290 nan 0.000 0.455 368 D N 0.298 120.669 120.400 -0.048 0.000 2.523 368 D HA 0.217 4.873 4.640 0.027 0.000 0.236 368 D C 0.093 176.378 176.300 -0.026 0.000 1.094 368 D CA -0.450 53.521 54.000 -0.049 0.000 0.942 368 D CB 1.933 42.727 40.800 -0.011 0.000 1.447 368 D HN 0.732 nan 8.370 nan 0.000 0.479 369 E N 0.116 120.314 120.200 -0.003 0.000 2.110 369 E HA -0.281 4.085 4.350 0.027 0.000 0.193 369 E C 1.811 178.458 176.600 0.079 0.000 0.988 369 E CA 1.240 57.666 56.400 0.043 0.000 0.804 369 E CB 0.138 29.879 29.700 0.068 0.000 0.745 369 E HN 0.560 nan 8.360 nan 0.000 0.458 370 Q N -0.164 119.684 119.800 0.080 0.000 2.061 370 Q HA -0.160 4.197 4.340 0.027 0.000 0.204 370 Q C 1.980 178.044 176.000 0.108 0.000 0.984 370 Q CA 2.295 58.154 55.803 0.094 0.000 0.846 370 Q CB -0.068 28.726 28.738 0.093 0.000 0.902 370 Q HN 0.271 nan 8.270 nan 0.000 0.421 371 T N 1.045 115.674 114.554 0.125 0.000 2.777 371 T HA -0.129 4.237 4.350 0.027 0.000 0.266 371 T C 1.859 176.645 174.700 0.143 0.000 1.040 371 T CA 1.502 63.688 62.100 0.144 0.000 1.141 371 T CB -0.157 68.826 68.868 0.191 0.000 0.868 371 T HN 0.303 nan 8.240 nan 0.000 0.444 372 M N 0.600 120.285 119.600 0.142 0.000 2.065 372 M HA -0.119 4.378 4.480 0.027 0.000 0.259 372 M C 2.489 178.915 176.300 0.210 0.000 1.069 372 M CA 1.466 56.916 55.300 0.249 0.000 1.110 372 M CB -0.693 32.075 32.600 0.281 0.000 1.328 372 M HN 0.100 nan 8.290 nan 0.000 0.405 373 V N 0.196 120.176 119.914 0.110 0.000 2.343 373 V HA -0.314 3.823 4.120 0.027 0.000 0.247 373 V C 2.310 178.391 176.094 -0.022 0.000 1.051 373 V CA 2.169 64.469 62.300 -0.001 0.000 1.036 373 V CB -0.900 30.957 31.823 0.056 0.000 0.654 373 V HN 0.566 nan 8.190 nan 0.000 0.451 374 Q N -0.331 119.506 119.800 0.062 0.000 2.096 374 Q HA -0.275 4.081 4.340 0.027 0.000 0.204 374 Q C 1.965 178.041 176.000 0.127 0.000 0.982 374 Q CA 2.196 58.052 55.803 0.087 0.000 0.850 374 Q CB -0.134 28.672 28.738 0.113 0.000 0.901 374 Q HN 0.621 nan 8.270 nan 0.000 0.422 375 D N 0.157 120.657 120.400 0.167 0.000 2.117 375 D HA -0.117 4.539 4.640 0.027 0.000 0.198 375 D C 1.891 178.169 176.300 -0.038 0.000 0.982 375 D CA 0.995 55.116 54.000 0.202 0.000 0.828 375 D CB -0.128 40.787 40.800 0.191 0.000 0.967 375 D HN 0.347 nan 8.370 nan 0.000 0.464 376 I N 0.576 121.100 120.570 -0.076 0.000 2.226 376 I HA -0.230 3.956 4.170 0.027 0.000 0.245 376 I C 2.386 178.356 176.117 -0.245 0.000 1.100 376 I CA 0.637 61.775 61.300 -0.270 0.000 1.374 376 I CB -0.036 37.683 38.000 -0.468 0.000 1.057 376 I HN -0.007 nan 8.210 nan 0.000 0.413 377 L N -0.078 121.037 121.223 -0.180 0.000 2.093 377 L HA -0.216 4.140 4.340 0.027 0.000 0.208 377 L C 2.491 179.417 176.870 0.094 0.000 1.085 377 L CA 1.269 56.087 54.840 -0.037 0.000 0.755 377 L CB -0.418 41.641 42.059 0.000 0.000 0.904 377 L HN 0.275 nan 8.230 nan 0.000 0.435 378 L N -1.075 120.232 121.223 0.140 0.000 2.093 378 L HA -0.225 4.131 4.340 0.027 0.000 0.208 378 L C 2.641 179.684 176.870 0.289 0.000 1.085 378 L CA 1.228 56.239 54.840 0.286 0.000 0.755 378 L CB -0.291 42.061 42.059 0.488 0.000 0.904 378 L HN 0.272 nan 8.230 nan 0.000 0.435 379 M N -0.628 118.972 119.600 -0.000 0.000 2.067 379 M HA -0.245 4.251 4.480 0.027 0.000 0.260 379 M C 2.300 178.683 176.300 0.139 0.000 1.069 379 M CA 1.869 57.099 55.300 -0.116 0.000 1.117 379 M CB -0.367 31.916 32.600 -0.528 0.000 1.334 379 M HN 0.076 nan 8.290 nan 0.000 0.407 380 K N 0.049 120.421 120.400 -0.046 0.000 2.097 380 K HA -0.182 4.155 4.320 0.027 0.000 0.206 380 K C 1.948 178.499 176.600 -0.081 0.000 1.049 380 K CA 1.341 57.473 56.287 -0.259 0.000 0.933 380 K CB -0.243 31.873 32.500 -0.640 0.000 0.717 380 K HN 0.473 nan 8.250 nan 0.000 0.442 381 Q N 0.311 120.247 119.800 0.227 0.000 2.291 381 Q HA -0.043 4.314 4.340 0.027 0.000 0.205 381 Q C 0.778 177.071 176.000 0.488 0.000 0.970 381 Q CA 0.745 56.803 55.803 0.426 0.000 0.876 381 Q CB 0.130 29.095 28.738 0.378 0.000 0.935 381 Q HN 0.262 nan 8.270 nan 0.000 0.455 382 N N 0.602 119.543 118.700 0.403 0.000 2.328 382 N HA 0.067 4.823 4.740 0.027 0.000 0.247 382 N C -0.730 174.886 175.510 0.176 0.000 1.165 382 N CA 0.001 53.282 53.050 0.385 0.000 0.873 382 N CB 0.719 39.515 38.487 0.516 0.000 1.125 382 N HN 0.147 nan 8.380 nan 0.000 0.513 383 N N 0.264 119.077 118.700 0.189 0.000 2.747 383 N HA -0.186 4.570 4.740 0.027 0.000 0.249 383 N C -0.949 174.480 175.510 -0.134 0.000 1.107 383 N CA 0.859 53.977 53.050 0.112 0.000 0.707 383 N CB -1.745 36.737 38.487 -0.009 0.000 1.054 383 N HN 0.263 nan 8.380 nan 0.000 0.555 384 F N 0.930 120.904 119.950 0.040 0.000 2.379 384 F HA 0.338 4.880 4.527 0.026 0.000 0.332 384 F C 1.720 177.514 175.800 -0.010 0.000 1.096 384 F CA -0.686 57.318 58.000 0.008 0.000 1.105 384 F CB 0.914 39.892 39.000 -0.036 0.000 1.189 384 F HN 0.036 nan 8.300 nan 0.000 0.515 385 N N 0.585 119.403 118.700 0.197 0.000 2.160 385 N HA 0.452 5.208 4.740 0.027 0.000 0.226 385 N C -0.851 174.694 175.510 0.058 0.000 1.256 385 N CA -0.038 53.045 53.050 0.055 0.000 0.890 385 N CB 0.789 39.354 38.487 0.129 0.000 1.116 385 N HN 0.481 nan 8.380 nan 0.000 0.517 386 A N -0.531 122.409 122.820 0.200 0.000 2.594 386 A HA 0.751 5.087 4.320 0.027 0.000 0.295 386 A C -1.788 176.025 177.584 0.382 0.000 1.071 386 A CA -0.710 51.512 52.037 0.308 0.000 0.685 386 A CB 1.800 21.026 19.000 0.377 0.000 1.285 386 A HN 0.212 nan 8.150 nan 0.000 0.405 387 V N 1.174 121.357 119.914 0.448 0.000 2.841 387 V HA 0.812 4.949 4.120 0.027 0.000 0.310 387 V C -0.600 175.620 176.094 0.210 0.000 1.090 387 V CA -0.705 61.808 62.300 0.355 0.000 0.930 387 V CB 1.881 33.843 31.823 0.232 0.000 1.014 387 V HN 1.143 nan 8.190 nan 0.000 0.425 388 R N 4.932 125.392 120.500 -0.066 0.000 2.393 388 R HA 0.483 4.839 4.340 0.027 0.000 0.310 388 R C -0.715 175.437 176.300 -0.247 0.000 0.968 388 R CA -0.450 55.408 56.100 -0.404 0.000 0.867 388 R CB 1.147 30.945 30.300 -0.836 0.000 1.124 388 R HN 0.797 nan 8.270 nan 0.000 0.450 389 C N 4.530 123.720 119.300 -0.183 0.000 3.329 389 C HA 0.106 4.582 4.460 0.027 0.000 0.537 389 C C 0.476 175.182 174.990 -0.474 0.000 1.034 389 C CA -0.390 58.470 59.018 -0.263 0.000 1.086 389 C CB -2.158 25.545 27.740 -0.062 0.000 1.392 389 C HN 0.732 nan 8.230 nan 0.000 0.612 390 S N 1.527 116.825 115.700 -0.671 0.000 2.465 390 S HA 0.168 4.654 4.470 0.027 0.000 0.280 390 S C -0.140 173.549 174.600 -1.518 0.000 1.232 390 S CA 0.160 57.694 58.200 -1.110 0.000 1.066 390 S CB 0.119 62.581 63.200 -1.229 0.000 0.929 390 S HN 0.730 nan 8.310 nan 0.000 0.494 391 H N 3.663 122.121 119.070 -1.020 0.000 2.439 391 H HA 0.323 4.895 4.556 0.027 0.000 0.228 391 H C -1.194 174.019 175.328 -0.192 0.000 1.423 391 H CA -0.349 55.490 56.048 -0.348 0.000 1.386 391 H CB -0.102 29.663 29.762 0.005 0.000 1.641 391 H HN 0.895 nan 8.280 nan 0.000 0.508 392 Y N -2.617 117.785 120.300 0.170 0.000 2.765 392 Y HA 0.382 4.949 4.550 0.028 0.000 0.350 392 Y C -3.298 172.710 175.900 0.180 0.000 1.196 392 Y CA -2.894 55.316 58.100 0.184 0.000 1.119 392 Y CB 0.043 38.617 38.460 0.190 0.000 1.368 392 Y HN -0.058 nan 8.280 nan 0.000 0.463 393 P HA 0.178 nan 4.420 nan 0.000 0.271 393 P C -0.657 176.936 177.300 0.489 0.000 1.216 393 P CA 0.034 63.389 63.100 0.424 0.000 0.776 393 P CB 0.619 32.505 31.700 0.311 0.000 0.881 394 N N 0.399 119.407 118.700 0.513 0.000 2.447 394 N HA 0.097 4.853 4.740 0.027 0.000 0.271 394 N C 0.076 175.845 175.510 0.431 0.000 1.226 394 N CA -0.570 52.698 53.050 0.362 0.000 0.980 394 N CB 0.363 38.857 38.487 0.013 0.000 1.206 394 N HN 0.603 nan 8.380 nan 0.000 0.558 395 H N 2.231 121.416 119.070 0.193 0.000 3.038 395 H HA -0.009 4.563 4.556 0.027 0.000 0.338 395 H C -1.616 173.887 175.328 0.292 0.000 1.041 395 H CA -0.650 55.498 56.048 0.167 0.000 1.394 395 H CB 0.968 30.790 29.762 0.101 0.000 1.357 395 H HN 0.425 nan 8.280 nan 0.000 0.600 396 P HA -0.200 nan 4.420 nan 0.000 0.218 396 P C 1.798 179.426 177.300 0.548 0.000 1.148 396 P CA 0.700 64.061 63.100 0.436 0.000 0.822 396 P CB 0.230 32.036 31.700 0.176 0.000 0.784 397 L N -1.033 120.583 121.223 0.655 0.000 2.275 397 L HA -0.029 4.327 4.340 0.027 0.000 0.215 397 L C 2.382 179.428 176.870 0.294 0.000 1.119 397 L CA 1.277 56.360 54.840 0.404 0.000 0.790 397 L CB -1.437 40.805 42.059 0.304 0.000 0.919 397 L HN 0.014 nan 8.230 nan 0.000 0.443 398 W N -0.464 120.871 121.300 0.057 0.000 2.321 398 W HA -0.345 4.331 4.660 0.026 0.000 0.306 398 W C 2.056 178.426 176.519 -0.248 0.000 1.217 398 W CA 1.966 59.202 57.345 -0.181 0.000 1.257 398 W CB -0.333 28.910 29.460 -0.362 0.000 1.145 398 W HN 0.277 nan 8.180 nan 0.000 0.509 399 Y N 0.611 120.861 120.300 -0.084 0.000 2.200 399 Y HA -0.212 4.354 4.550 0.026 0.000 0.290 399 Y C 2.869 178.552 175.900 -0.361 0.000 1.137 399 Y CA 2.146 59.975 58.100 -0.451 0.000 1.163 399 Y CB -1.364 36.475 38.460 -1.036 0.000 0.988 399 Y HN -0.235 nan 8.280 nan 0.000 0.518 400 T N 0.733 115.317 114.554 0.049 0.000 2.788 400 T HA -0.153 4.214 4.350 0.027 0.000 0.268 400 T C 1.978 176.725 174.700 0.079 0.000 1.044 400 T CA 1.365 63.570 62.100 0.175 0.000 1.139 400 T CB -0.516 68.499 68.868 0.246 0.000 0.867 400 T HN 0.230 nan 8.240 nan 0.000 0.454 401 L N 0.196 121.422 121.223 0.004 0.000 2.056 401 L HA -0.076 4.280 4.340 0.027 0.000 0.207 401 L C 2.864 179.721 176.870 -0.023 0.000 1.078 401 L CA 0.855 55.717 54.840 0.037 0.000 0.749 401 L CB -0.687 41.372 42.059 0.000 0.000 0.901 401 L HN 0.354 nan 8.230 nan 0.000 0.433 402 C N -0.145 118.976 119.300 -0.298 0.000 2.425 402 C HA -0.153 4.323 4.460 0.027 0.000 0.277 402 C C 2.421 177.462 174.990 0.085 0.000 1.280 402 C CA 0.494 59.370 59.018 -0.238 0.000 1.744 402 C CB -0.799 26.686 27.740 -0.424 0.000 1.989 402 C HN 0.539 nan 8.230 nan 0.000 0.491 403 D N 0.430 120.893 120.400 0.106 0.000 2.097 403 D HA -0.095 4.561 4.640 0.027 0.000 0.195 403 D C 2.417 178.942 176.300 0.376 0.000 0.989 403 D CA 1.233 55.378 54.000 0.243 0.000 0.827 403 D CB -0.326 40.570 40.800 0.160 0.000 0.966 403 D HN 0.521 nan 8.370 nan 0.000 0.456 404 R N -0.992 119.608 120.500 0.167 0.000 2.100 404 R HA 0.006 4.362 4.340 0.027 0.000 0.220 404 R C 2.192 178.453 176.300 -0.065 0.000 1.091 404 R CA 0.577 56.703 56.100 0.044 0.000 0.986 404 R CB -0.202 30.049 30.300 -0.082 0.000 0.888 404 R HN 0.287 nan 8.270 nan 0.000 0.444 405 Y N 0.042 120.359 120.300 0.028 0.000 2.420 405 Y HA 0.145 4.711 4.550 0.027 0.000 0.292 405 Y C 1.008 176.840 175.900 -0.112 0.000 1.119 405 Y CA 0.774 58.861 58.100 -0.022 0.000 1.229 405 Y CB 0.613 39.029 38.460 -0.073 0.000 1.026 405 Y HN 0.243 nan 8.280 nan 0.000 0.554 406 G N 1.243 110.069 108.800 0.043 0.000 2.830 406 G HA2 -0.155 3.821 3.960 0.027 0.000 0.298 406 G HA3 -0.155 3.821 3.960 0.027 0.000 0.298 406 G C -1.162 173.571 174.900 -0.277 0.000 1.031 406 G CA -0.528 44.459 45.100 -0.189 0.000 1.179 406 G HN 0.169 nan 8.290 nan 0.000 0.527 407 L N 0.968 122.105 121.223 -0.144 0.000 2.472 407 L HA 0.485 4.841 4.340 0.027 0.000 0.260 407 L C -0.043 176.812 176.870 -0.025 0.000 0.963 407 L CA -1.306 53.401 54.840 -0.221 0.000 0.829 407 L CB 2.034 43.991 42.059 -0.169 0.000 1.348 407 L HN 0.467 nan 8.230 nan 0.000 0.408 408 Y N 1.803 122.230 120.300 0.211 0.000 2.359 408 Y HA 0.375 4.943 4.550 0.030 0.000 0.330 408 Y C 0.220 176.251 175.900 0.218 0.000 1.143 408 Y CA -0.659 57.604 58.100 0.272 0.000 1.318 408 Y CB 1.210 39.809 38.460 0.232 0.000 1.234 408 Y HN 0.147 nan 8.280 nan 0.000 0.522 409 V N 4.184 124.288 119.914 0.317 0.000 2.680 409 V HA 0.338 4.474 4.120 0.027 0.000 0.309 409 V C -0.571 175.604 176.094 0.136 0.000 1.052 409 V CA -1.034 61.392 62.300 0.209 0.000 0.908 409 V CB 1.992 33.901 31.823 0.142 0.000 1.001 409 V HN 0.453 nan 8.190 nan 0.000 0.431 410 V N 3.023 122.982 119.914 0.075 0.000 2.333 410 V HA 0.331 4.467 4.120 0.027 0.000 0.274 410 V C -0.348 175.780 176.094 0.056 0.000 1.028 410 V CA -0.368 61.930 62.300 -0.003 0.000 0.851 410 V CB 1.400 33.112 31.823 -0.184 0.000 1.000 410 V HN 0.873 nan 8.190 nan 0.000 0.456 411 D N 4.191 124.669 120.400 0.129 0.000 2.249 411 D HA 0.329 4.985 4.640 0.027 0.000 0.246 411 D C -0.240 176.254 176.300 0.323 0.000 1.114 411 D CA -0.068 54.105 54.000 0.288 0.000 0.854 411 D CB 1.346 42.361 40.800 0.357 0.000 1.132 411 D HN 0.697 nan 8.370 nan 0.000 0.461 412 E N 1.922 122.277 120.200 0.259 0.000 2.210 412 E HA 0.617 4.983 4.350 0.027 0.000 0.266 412 E C -1.038 175.701 176.600 0.232 0.000 0.883 412 E CA -1.049 55.488 56.400 0.228 0.000 0.761 412 E CB 1.359 31.145 29.700 0.144 0.000 1.156 412 E HN 0.447 nan 8.360 nan 0.000 0.412 413 A N 3.850 126.798 122.820 0.213 0.000 2.483 413 A HA 0.043 4.379 4.320 0.027 0.000 0.238 413 A C 0.325 178.036 177.584 0.211 0.000 1.070 413 A CA -0.155 51.988 52.037 0.176 0.000 0.770 413 A CB 0.113 19.180 19.000 0.111 0.000 1.008 413 A HN 0.695 nan 8.150 nan 0.000 0.497 414 N N 1.265 120.097 118.700 0.221 0.000 3.050 414 N HA 0.283 5.039 4.740 0.027 0.000 0.289 414 N C -1.056 174.584 175.510 0.216 0.000 1.209 414 N CA 0.163 53.377 53.050 0.273 0.000 1.154 414 N CB -0.820 37.826 38.487 0.265 0.000 1.444 414 N HN 0.475 nan 8.380 nan 0.000 0.529 415 I N 0.914 121.607 120.570 0.204 0.000 2.497 415 I HA 0.274 4.460 4.170 0.027 0.000 0.284 415 I C -0.607 175.614 176.117 0.174 0.000 1.060 415 I CA -0.604 60.800 61.300 0.172 0.000 1.071 415 I CB 1.774 39.849 38.000 0.125 0.000 1.216 415 I HN 0.230 nan 8.210 nan 0.000 0.442 416 E N 4.326 124.625 120.200 0.165 0.000 2.287 416 E HA 0.368 4.735 4.350 0.027 0.000 0.274 416 E C -0.600 176.068 176.600 0.114 0.000 0.896 416 E CA -0.462 56.007 56.400 0.116 0.000 0.788 416 E CB 1.607 31.359 29.700 0.087 0.000 1.244 416 E HN 0.606 nan 8.360 nan 0.000 0.408 417 T N 0.605 115.218 114.554 0.099 0.000 3.355 417 T HA 0.160 4.527 4.350 0.027 0.000 0.276 417 T C 0.883 175.637 174.700 0.089 0.000 1.003 417 T CA -0.337 61.848 62.100 0.141 0.000 0.943 417 T CB -0.276 68.658 68.868 0.111 0.000 1.158 417 T HN 0.656 nan 8.240 nan 0.000 0.513 418 H N 1.183 120.171 119.070 -0.136 0.000 2.390 418 H HA -0.056 4.517 4.556 0.028 0.000 0.298 418 H C 2.289 177.499 175.328 -0.196 0.000 1.106 418 H CA 1.280 57.223 56.048 -0.176 0.000 1.297 418 H CB -0.164 29.456 29.762 -0.236 0.000 1.375 418 H HN 0.582 nan 8.280 nan 0.000 0.509 419 G N 0.128 108.781 108.800 -0.245 0.000 2.848 419 G HA2 -0.028 3.949 3.960 0.027 0.000 0.208 419 G HA3 -0.028 3.949 3.960 0.027 0.000 0.208 419 G C 0.451 175.471 174.900 0.199 0.000 1.152 419 G CA -0.178 44.803 45.100 -0.199 0.000 0.789 419 G HN 0.142 nan 8.290 nan 0.000 0.531 420 M N 0.337 120.097 119.600 0.266 0.000 2.198 420 M HA 0.324 4.820 4.480 0.027 0.000 0.315 420 M C -0.325 176.012 176.300 0.063 0.000 1.134 420 M CA -0.292 55.113 55.300 0.175 0.000 1.171 420 M CB 1.391 34.043 32.600 0.087 0.000 1.413 420 M HN -0.208 nan 8.290 nan 0.000 0.467 421 V N 3.630 123.557 119.914 0.022 0.000 2.482 421 V HA 0.379 4.516 4.120 0.027 0.000 0.295 421 V C -1.952 174.133 176.094 -0.015 0.000 1.026 421 V CA -1.305 60.994 62.300 -0.003 0.000 0.856 421 V CB 1.829 33.644 31.823 -0.013 0.000 1.001 421 V HN 0.738 nan 8.190 nan 0.000 0.424 422 P HA 0.229 nan 4.420 nan 0.000 0.275 422 P C 0.955 178.258 177.300 0.004 0.000 1.266 422 P CA -0.489 62.606 63.100 -0.008 0.000 0.793 422 P CB 1.028 32.724 31.700 -0.007 0.000 1.074 423 M N 0.620 120.229 119.600 0.015 0.000 2.279 423 M HA -0.162 4.334 4.480 0.027 0.000 0.264 423 M C 1.181 177.505 176.300 0.041 0.000 1.062 423 M CA 1.752 57.072 55.300 0.034 0.000 1.099 423 M CB -0.465 32.150 32.600 0.025 0.000 1.394 423 M HN 0.354 nan 8.290 nan 0.000 0.426 424 N N -0.048 118.677 118.700 0.041 0.000 2.313 424 N HA -0.075 4.681 4.740 0.027 0.000 0.207 424 N C 1.105 176.601 175.510 -0.022 0.000 1.141 424 N CA 0.160 53.238 53.050 0.047 0.000 0.830 424 N CB -0.740 37.795 38.487 0.080 0.000 1.008 424 N HN 0.363 nan 8.380 nan 0.000 0.481 425 R N 0.402 120.872 120.500 -0.050 0.000 2.119 425 R HA -0.050 4.307 4.340 0.027 0.000 0.246 425 R C 1.470 177.668 176.300 -0.169 0.000 1.146 425 R CA 1.543 57.586 56.100 -0.095 0.000 0.962 425 R CB -0.064 30.173 30.300 -0.105 0.000 0.863 425 R HN 0.305 nan 8.270 nan 0.000 0.442 426 L N -0.811 120.248 121.223 -0.274 0.000 2.168 426 L HA -0.014 4.342 4.340 0.027 0.000 0.203 426 L C 2.514 179.243 176.870 -0.235 0.000 1.078 426 L CA 1.318 55.871 54.840 -0.479 0.000 0.780 426 L CB -0.578 40.946 42.059 -0.892 0.000 0.939 426 L HN 0.363 nan 8.230 nan 0.000 0.451 427 T N -4.205 110.249 114.554 -0.167 0.000 3.007 427 T HA -0.170 4.196 4.350 0.027 0.000 0.270 427 T C 1.300 175.923 174.700 -0.130 0.000 1.107 427 T CA 1.239 63.232 62.100 -0.179 0.000 1.118 427 T CB -0.240 68.487 68.868 -0.235 0.000 0.889 427 T HN 0.112 nan 8.240 nan 0.000 0.506 428 D N 1.140 121.496 120.400 -0.073 0.000 2.339 428 D HA 0.099 4.755 4.640 0.027 0.000 0.217 428 D C -0.185 176.100 176.300 -0.025 0.000 1.050 428 D CA -0.157 53.812 54.000 -0.053 0.000 0.856 428 D CB -0.100 40.674 40.800 -0.043 0.000 0.922 428 D HN 0.342 nan 8.370 nan 0.000 0.518 429 D N -0.196 120.205 120.400 0.001 0.000 2.274 429 D HA 0.124 4.780 4.640 0.027 0.000 0.239 429 D C -1.705 174.653 176.300 0.096 0.000 1.104 429 D CA -2.217 51.821 54.000 0.064 0.000 0.840 429 D CB 2.007 42.892 40.800 0.142 0.000 1.100 429 D HN -0.039 nan 8.370 nan 0.000 0.477 430 P HA -0.082 nan 4.420 nan 0.000 0.225 430 P C 0.946 178.258 177.300 0.020 0.000 1.148 430 P CA 0.644 63.758 63.100 0.024 0.000 0.779 430 P CB 0.308 32.009 31.700 0.002 0.000 0.780 431 R N -1.671 118.853 120.500 0.040 0.000 2.237 431 R HA -0.064 4.292 4.340 0.027 0.000 0.219 431 R C 1.421 177.604 176.300 -0.196 0.000 1.080 431 R CA 1.062 57.116 56.100 -0.077 0.000 0.995 431 R CB -0.505 29.731 30.300 -0.106 0.000 0.875 431 R HN 0.332 nan 8.270 nan 0.000 0.462 432 W N -0.118 121.131 121.300 -0.085 0.000 3.278 432 W HA 0.132 4.808 4.660 0.026 0.000 0.308 432 W C 1.511 177.975 176.519 -0.092 0.000 1.253 432 W CA -0.533 56.762 57.345 -0.084 0.000 1.759 432 W CB 0.042 29.452 29.460 -0.084 0.000 1.093 432 W HN 0.006 nan 8.180 nan 0.000 0.648 433 L N 2.235 123.493 121.223 0.058 0.000 2.012 433 L HA -0.058 4.298 4.340 0.027 0.000 0.210 433 L C -0.658 176.182 176.870 -0.050 0.000 1.073 433 L CA 2.273 57.107 54.840 -0.009 0.000 0.748 433 L CB -1.700 40.342 42.059 -0.029 0.000 0.891 433 L HN -0.239 nan 8.230 nan 0.000 0.431 434 P HA -0.196 nan 4.420 nan 0.000 0.214 434 P C 1.651 178.899 177.300 -0.086 0.000 1.163 434 P CA 2.345 65.385 63.100 -0.099 0.000 0.889 434 P CB -0.291 31.340 31.700 -0.115 0.000 0.790 435 A N -0.980 121.801 122.820 -0.064 0.000 1.883 435 A HA -0.235 4.101 4.320 0.027 0.000 0.217 435 A C 2.266 179.862 177.584 0.020 0.000 1.186 435 A CA 2.335 54.366 52.037 -0.009 0.000 0.624 435 A CB -1.552 17.473 19.000 0.041 0.000 0.822 435 A HN 0.120 nan 8.150 nan 0.000 0.444 436 M N 0.114 119.735 119.600 0.035 0.000 2.132 436 M HA -0.153 4.344 4.480 0.027 0.000 0.263 436 M C 2.579 178.824 176.300 -0.091 0.000 1.065 436 M CA 1.779 57.075 55.300 -0.007 0.000 1.122 436 M CB -0.434 32.142 32.600 -0.041 0.000 1.365 436 M HN 0.678 nan 8.290 nan 0.000 0.411 437 S N 0.505 116.124 115.700 -0.135 0.000 2.359 437 S HA -0.216 4.271 4.470 0.027 0.000 0.224 437 S C 1.655 176.085 174.600 -0.284 0.000 1.035 437 S CA 1.697 59.748 58.200 -0.248 0.000 1.018 437 S CB -0.632 62.404 63.200 -0.273 0.000 0.876 437 S HN 0.531 nan 8.310 nan 0.000 0.448 438 E N 0.863 120.946 120.200 -0.194 0.000 2.204 438 E HA -0.087 4.279 4.350 0.027 0.000 0.195 438 E C 2.445 178.959 176.600 -0.143 0.000 0.990 438 E CA 0.892 57.185 56.400 -0.178 0.000 0.821 438 E CB -0.110 29.524 29.700 -0.111 0.000 0.750 438 E HN 0.593 nan 8.360 nan 0.000 0.477 439 R N -0.027 120.418 120.500 -0.091 0.000 2.115 439 R HA -0.075 4.281 4.340 0.027 0.000 0.230 439 R C 2.276 178.536 176.300 -0.067 0.000 1.111 439 R CA 0.833 56.911 56.100 -0.036 0.000 0.976 439 R CB -0.017 30.301 30.300 0.030 0.000 0.870 439 R HN 0.028 nan 8.270 nan 0.000 0.445 440 V N 0.314 120.143 119.914 -0.141 0.000 2.331 440 V HA -0.177 3.959 4.120 0.027 0.000 0.242 440 V C 2.524 178.439 176.094 -0.297 0.000 1.034 440 V CA 2.124 64.318 62.300 -0.177 0.000 1.027 440 V CB -0.331 31.377 31.823 -0.192 0.000 0.667 440 V HN 0.521 nan 8.190 nan 0.000 0.457 441 T N -0.713 113.534 114.554 -0.512 0.000 2.788 441 T HA -0.232 4.134 4.350 0.027 0.000 0.268 441 T C 1.927 176.482 174.700 -0.243 0.000 1.044 441 T CA 1.367 63.081 62.100 -0.644 0.000 1.139 441 T CB -0.406 67.876 68.868 -0.977 0.000 0.867 441 T HN 0.408 nan 8.240 nan 0.000 0.454 442 R N 0.216 120.592 120.500 -0.206 0.000 2.148 442 R HA 0.219 4.575 4.340 0.027 0.000 0.227 442 R C 2.604 178.833 176.300 -0.119 0.000 1.103 442 R CA 1.310 57.325 56.100 -0.142 0.000 0.983 442 R CB -0.436 29.788 30.300 -0.128 0.000 0.874 442 R HN 0.491 nan 8.270 nan 0.000 0.451 443 M N 0.431 119.967 119.600 -0.106 0.000 2.156 443 M HA -0.104 4.392 4.480 0.027 0.000 0.264 443 M C 1.786 178.019 176.300 -0.110 0.000 1.067 443 M CA 1.515 56.782 55.300 -0.055 0.000 1.131 443 M CB 0.198 32.803 32.600 0.008 0.000 1.368 443 M HN -0.036 nan 8.290 nan 0.000 0.416 444 V N 1.019 120.760 119.914 -0.289 0.000 2.427 444 V HA -0.263 3.873 4.120 0.027 0.000 0.248 444 V C 2.228 178.220 176.094 -0.169 0.000 1.051 444 V CA 1.882 63.883 62.300 -0.499 0.000 1.048 444 V CB -0.846 30.647 31.823 -0.550 0.000 0.666 444 V HN 0.585 nan 8.190 nan 0.000 0.456 445 Q N -0.592 119.146 119.800 -0.104 0.000 2.170 445 Q HA -0.211 4.146 4.340 0.027 0.000 0.203 445 Q C 2.451 178.376 176.000 -0.126 0.000 0.976 445 Q CA 1.500 57.253 55.803 -0.083 0.000 0.858 445 Q CB -0.165 28.544 28.738 -0.048 0.000 0.907 445 Q HN 0.530 nan 8.270 nan 0.000 0.433 446 R N 0.308 120.725 120.500 -0.139 0.000 2.080 446 R HA -0.087 4.269 4.340 0.027 0.000 0.222 446 R C 0.511 176.743 176.300 -0.114 0.000 1.107 446 R CA 1.287 57.279 56.100 -0.180 0.000 0.980 446 R CB 0.419 30.613 30.300 -0.176 0.000 0.879 446 R HN 0.139 nan 8.270 nan 0.000 0.439 447 D N -0.250 120.149 120.400 -0.003 0.000 2.398 447 D HA -0.005 4.652 4.640 0.027 0.000 0.210 447 D C 1.305 177.724 176.300 0.199 0.000 1.094 447 D CA 0.118 54.167 54.000 0.081 0.000 0.839 447 D CB 0.257 41.053 40.800 -0.008 0.000 0.963 447 D HN 0.356 nan 8.370 nan 0.000 0.506 448 R N 0.600 121.230 120.500 0.217 0.000 2.241 448 R HA 0.003 4.359 4.340 0.027 0.000 0.224 448 R C 0.691 176.999 176.300 0.014 0.000 1.101 448 R CA 0.889 57.123 56.100 0.224 0.000 0.995 448 R CB -0.275 30.092 30.300 0.112 0.000 0.870 448 R HN -0.083 nan 8.270 nan 0.000 0.463 449 N N 0.326 118.964 118.700 -0.103 0.000 2.336 449 N HA 0.006 4.762 4.740 0.027 0.000 0.189 449 N C -0.579 174.801 175.510 -0.216 0.000 1.113 449 N CA 0.218 53.171 53.050 -0.162 0.000 0.858 449 N CB 0.122 38.483 38.487 -0.211 0.000 0.970 449 N HN 0.287 nan 8.380 nan 0.000 0.471 450 H N 1.160 120.169 119.070 -0.101 0.000 2.668 450 H HA 0.127 4.699 4.556 0.027 0.000 0.303 450 H C -1.240 173.938 175.328 -0.251 0.000 1.074 450 H CA -1.322 54.649 56.048 -0.128 0.000 1.406 450 H CB 1.650 31.373 29.762 -0.066 0.000 1.442 450 H HN 0.039 nan 8.280 nan 0.000 0.482 451 P HA -0.123 nan 4.420 nan 0.000 0.223 451 P C 1.359 178.194 177.300 -0.774 0.000 1.151 451 P CA 0.844 63.589 63.100 -0.591 0.000 0.787 451 P CB 0.305 31.409 31.700 -0.993 0.000 0.788 452 S N -0.793 114.590 115.700 -0.530 0.000 2.423 452 S HA -0.036 4.450 4.470 0.027 0.000 0.231 452 S C 1.115 175.701 174.600 -0.023 0.000 1.014 452 S CA 0.302 58.368 58.200 -0.224 0.000 0.965 452 S CB -1.503 61.719 63.200 0.037 0.000 0.785 452 S HN -0.067 nan 8.310 nan 0.000 0.495 453 V N 3.782 123.646 119.914 -0.084 0.000 2.446 453 V HA 0.185 4.321 4.120 0.027 0.000 0.276 453 V C 1.124 177.084 176.094 -0.223 0.000 1.030 453 V CA 0.132 62.341 62.300 -0.152 0.000 1.033 453 V CB 0.176 31.802 31.823 -0.328 0.000 0.993 453 V HN 0.637 nan 8.190 nan 0.000 0.477 454 I N 2.601 123.098 120.570 -0.121 0.000 4.181 454 I HA 0.508 4.694 4.170 0.027 0.000 0.331 454 I C 0.373 176.380 176.117 -0.184 0.000 1.312 454 I CA 0.483 61.715 61.300 -0.114 0.000 1.146 454 I CB 0.483 38.499 38.000 0.027 0.000 1.074 454 I HN 0.320 nan 8.210 nan 0.000 0.402 455 I N 0.264 120.706 120.570 -0.215 0.000 2.656 455 I HA 0.359 4.545 4.170 0.027 0.000 0.292 455 I C -1.527 174.498 176.117 -0.153 0.000 1.144 455 I CA -0.398 60.819 61.300 -0.139 0.000 1.038 455 I CB 2.058 40.070 38.000 0.021 0.000 1.244 455 I HN 0.031 nan 8.210 nan 0.000 0.420 456 W N 3.959 125.310 121.300 0.084 0.000 2.438 456 W HA 0.620 5.294 4.660 0.023 0.000 0.324 456 W C 0.420 177.005 176.519 0.110 0.000 1.119 456 W CA -0.630 56.770 57.345 0.092 0.000 1.221 456 W CB 1.695 31.204 29.460 0.081 0.000 1.253 456 W HN 0.323 nan 8.180 nan 0.000 0.555 457 S N 2.617 118.548 115.700 0.385 0.000 2.513 457 S HA 0.410 4.896 4.470 0.027 0.000 0.299 457 S C 0.162 174.926 174.600 0.272 0.000 1.087 457 S CA -0.722 57.654 58.200 0.293 0.000 1.012 457 S CB 0.887 64.217 63.200 0.217 0.000 1.044 457 S HN 0.581 nan 8.310 nan 0.000 0.485 458 L N 3.992 125.364 121.223 0.248 0.000 2.650 458 L HA 0.344 4.700 4.340 0.027 0.000 0.235 458 L C 1.390 178.312 176.870 0.087 0.000 1.149 458 L CA 0.514 55.418 54.840 0.107 0.000 0.887 458 L CB -1.143 40.874 42.059 -0.070 0.000 1.021 458 L HN 1.021 nan 8.230 nan 0.000 0.441 459 G N 0.107 109.044 108.800 0.230 0.000 2.297 459 G HA2 -0.152 3.824 3.960 0.027 0.000 0.209 459 G HA3 -0.152 3.824 3.960 0.027 0.000 0.209 459 G C -1.530 173.570 174.900 0.335 0.000 1.267 459 G CA -0.550 44.698 45.100 0.246 0.000 1.127 459 G HN 0.189 nan 8.290 nan 0.000 0.498 460 N N 0.230 119.072 118.700 0.237 0.000 2.367 460 N HA 0.471 5.227 4.740 0.027 0.000 0.278 460 N C -0.491 174.981 175.510 -0.064 0.000 1.117 460 N CA 0.095 53.144 53.050 -0.002 0.000 0.867 460 N CB 1.605 39.834 38.487 -0.429 0.000 1.649 460 N HN 0.878 nan 8.380 nan 0.000 0.479 461 E N 0.866 120.934 120.200 -0.220 0.000 2.202 461 E HA -0.180 4.186 4.350 0.027 0.000 0.169 461 E C -0.799 175.716 176.600 -0.141 0.000 1.536 461 E CA 0.795 56.974 56.400 -0.368 0.000 0.664 461 E CB -1.218 28.009 29.700 -0.788 0.000 1.064 461 E HN 0.457 nan 8.360 nan 0.000 0.327 462 S N 0.026 115.784 115.700 0.098 0.000 2.952 462 S HA 0.398 4.884 4.470 0.027 0.000 0.251 462 S C 0.633 175.403 174.600 0.284 0.000 1.021 462 S CA -0.164 58.161 58.200 0.209 0.000 1.067 462 S CB 1.445 64.824 63.200 0.298 0.000 1.002 462 S HN 0.871 nan 8.310 nan 0.000 0.574 463 G N 2.028 110.925 108.800 0.162 0.000 2.601 463 G HA2 -0.263 3.713 3.960 0.027 0.000 0.252 463 G HA3 -0.263 3.713 3.960 0.027 0.000 0.252 463 G C -0.522 174.573 174.900 0.324 0.000 1.294 463 G CA -0.116 45.083 45.100 0.164 0.000 0.912 463 G HN 0.656 nan 8.290 nan 0.000 0.574 464 H N 0.375 119.560 119.070 0.191 0.000 2.800 464 H HA 0.575 5.147 4.556 0.027 0.000 0.322 464 H C 0.315 175.811 175.328 0.281 0.000 0.979 464 H CA -0.157 56.043 56.048 0.253 0.000 1.277 464 H CB 0.687 30.534 29.762 0.142 0.000 1.484 464 H HN 1.053 nan 8.280 nan 0.000 0.512 465 G N 1.554 110.562 108.800 0.346 0.000 2.537 465 G HA2 0.449 4.425 3.960 0.027 0.000 0.308 465 G HA3 0.449 4.425 3.960 0.027 0.000 0.308 465 G C 0.565 175.411 174.900 -0.090 0.000 1.237 465 G CA -0.172 44.920 45.100 -0.014 0.000 0.968 465 G HN 0.686 nan 8.290 nan 0.000 0.481 466 A N 0.457 123.211 122.820 -0.110 0.000 2.019 466 A HA -0.086 4.250 4.320 0.027 0.000 0.219 466 A C 2.132 179.704 177.584 -0.019 0.000 1.164 466 A CA 1.774 53.777 52.037 -0.058 0.000 0.644 466 A CB -0.411 18.564 19.000 -0.041 0.000 0.805 466 A HN 0.540 nan 8.150 nan 0.000 0.449 467 N N -0.123 118.529 118.700 -0.081 0.000 2.149 467 N HA -0.162 4.594 4.740 0.027 0.000 0.188 467 N C 1.385 176.837 175.510 -0.095 0.000 1.019 467 N CA 1.799 54.781 53.050 -0.113 0.000 0.857 467 N CB -0.667 37.709 38.487 -0.185 0.000 0.997 467 N HN 0.794 nan 8.380 nan 0.000 0.426 468 H N 0.285 119.356 119.070 0.002 0.000 2.326 468 H HA -0.018 4.554 4.556 0.027 0.000 0.301 468 H C 1.294 176.695 175.328 0.122 0.000 1.081 468 H CA 1.244 57.296 56.048 0.007 0.000 1.334 468 H CB 0.133 29.908 29.762 0.022 0.000 1.385 468 H HN 0.179 nan 8.280 nan 0.000 0.504 469 D N 0.444 121.017 120.400 0.287 0.000 2.117 469 D HA -0.137 4.519 4.640 0.027 0.000 0.197 469 D C 2.307 178.759 176.300 0.253 0.000 0.987 469 D CA 1.180 55.341 54.000 0.267 0.000 0.829 469 D CB -0.409 40.512 40.800 0.201 0.000 0.961 469 D HN 0.426 nan 8.370 nan 0.000 0.460 470 A N 0.770 123.688 122.820 0.163 0.000 1.902 470 A HA -0.131 4.205 4.320 0.027 0.000 0.217 470 A C 2.415 180.102 177.584 0.172 0.000 1.181 470 A CA 1.007 53.128 52.037 0.140 0.000 0.623 470 A CB -0.742 18.299 19.000 0.068 0.000 0.818 470 A HN 0.208 nan 8.150 nan 0.000 0.443 471 L N -2.258 119.052 121.223 0.144 0.000 2.156 471 L HA -0.118 4.239 4.340 0.027 0.000 0.208 471 L C 2.545 179.551 176.870 0.226 0.000 1.095 471 L CA 1.364 56.287 54.840 0.137 0.000 0.770 471 L CB -0.679 41.391 42.059 0.018 0.000 0.914 471 L HN 0.587 nan 8.230 nan 0.000 0.439 472 Y N 1.403 121.784 120.300 0.135 0.000 2.114 472 Y HA -0.352 4.210 4.550 0.021 0.000 0.282 472 Y C 2.821 178.804 175.900 0.138 0.000 1.165 472 Y CA 1.921 60.104 58.100 0.138 0.000 1.148 472 Y CB -0.187 38.354 38.460 0.135 0.000 0.972 472 Y HN -0.027 nan 8.280 nan 0.000 0.504 473 R N -0.274 120.325 120.500 0.165 0.000 2.081 473 R HA -0.203 4.153 4.340 0.027 0.000 0.235 473 R C 2.087 178.393 176.300 0.011 0.000 1.131 473 R CA 1.940 58.069 56.100 0.047 0.000 0.960 473 R CB -1.403 29.001 30.300 0.173 0.000 0.856 473 R HN 0.644 nan 8.270 nan 0.000 0.436 474 W N 0.510 121.765 121.300 -0.075 0.000 2.335 474 W HA -0.163 4.513 4.660 0.027 0.000 0.311 474 W C 1.582 178.007 176.519 -0.157 0.000 1.213 474 W CA 2.031 59.318 57.345 -0.097 0.000 1.274 474 W CB -0.225 29.183 29.460 -0.088 0.000 1.148 474 W HN 0.093 nan 8.180 nan 0.000 0.498 475 I N 0.738 121.331 120.570 0.038 0.000 2.202 475 I HA -0.329 3.857 4.170 0.027 0.000 0.242 475 I C 2.449 178.369 176.117 -0.328 0.000 1.091 475 I CA 1.291 62.444 61.300 -0.245 0.000 1.368 475 I CB -0.756 37.155 38.000 -0.149 0.000 1.058 475 I HN -0.142 nan 8.210 nan 0.000 0.410 476 K N 0.385 120.597 120.400 -0.314 0.000 2.160 476 K HA -0.181 4.155 4.320 0.027 0.000 0.206 476 K C 2.278 178.736 176.600 -0.237 0.000 1.047 476 K CA 1.513 57.633 56.287 -0.280 0.000 0.930 476 K CB -0.530 31.762 32.500 -0.347 0.000 0.720 476 K HN 0.266 nan 8.250 nan 0.000 0.450 477 S N 0.820 116.344 115.700 -0.292 0.000 2.377 477 S HA -0.081 4.405 4.470 0.027 0.000 0.223 477 S C 2.044 176.424 174.600 -0.367 0.000 1.030 477 S CA 1.126 59.156 58.200 -0.283 0.000 0.970 477 S CB -0.120 62.916 63.200 -0.274 0.000 0.830 477 S HN 0.173 nan 8.310 nan 0.000 0.473 478 V N -0.636 118.913 119.914 -0.608 0.000 2.591 478 V HA 0.218 4.355 4.120 0.027 0.000 0.249 478 V C 0.363 176.218 176.094 -0.399 0.000 1.053 478 V CA 1.578 63.506 62.300 -0.619 0.000 1.068 478 V CB -0.453 30.750 31.823 -1.032 0.000 0.689 478 V HN 0.453 nan 8.190 nan 0.000 0.462 479 D N 0.256 120.470 120.400 -0.311 0.000 2.364 479 D HA 0.406 5.063 4.640 0.027 0.000 0.251 479 D C -2.355 173.928 176.300 -0.029 0.000 1.282 479 D CA -1.888 52.041 54.000 -0.119 0.000 0.927 479 D CB 1.750 42.564 40.800 0.024 0.000 1.267 479 D HN 0.162 nan 8.370 nan 0.000 0.531 480 P HA -0.018 nan 4.420 nan 0.000 0.237 480 P C 1.226 178.544 177.300 0.029 0.000 1.178 480 P CA 0.425 63.516 63.100 -0.016 0.000 0.766 480 P CB 0.175 31.861 31.700 -0.024 0.000 0.876 481 S N -1.258 114.468 115.700 0.043 0.000 2.507 481 S HA -0.001 4.485 4.470 0.027 0.000 0.235 481 S C 0.900 175.525 174.600 0.042 0.000 0.988 481 S CA 0.246 58.475 58.200 0.049 0.000 0.944 481 S CB -0.428 62.794 63.200 0.037 0.000 0.762 481 S HN 0.066 nan 8.310 nan 0.000 0.526 482 R N 0.962 121.500 120.500 0.063 0.000 2.673 482 R HA 0.528 4.884 4.340 0.027 0.000 0.281 482 R C -3.215 173.135 176.300 0.083 0.000 0.991 482 R CA -2.273 53.829 56.100 0.004 0.000 0.896 482 R CB 1.652 31.841 30.300 -0.186 0.000 1.201 482 R HN 0.133 nan 8.270 nan 0.000 0.457 483 P HA 0.063 nan 4.420 nan 0.000 0.270 483 P C -0.808 176.602 177.300 0.183 0.000 1.223 483 P CA -0.336 62.830 63.100 0.110 0.000 0.785 483 P CB 0.645 32.396 31.700 0.085 0.000 0.923 484 V N 2.689 122.737 119.914 0.224 0.000 2.417 484 V HA 0.389 4.525 4.120 0.027 0.000 0.291 484 V C 0.310 176.589 176.094 0.308 0.000 1.024 484 V CA -0.261 62.220 62.300 0.301 0.000 0.861 484 V CB 0.971 32.952 31.823 0.263 0.000 0.985 484 V HN 0.611 nan 8.190 nan 0.000 0.436 485 Q N 3.897 123.858 119.800 0.268 0.000 2.458 485 Q HA 0.822 5.178 4.340 0.027 0.000 0.282 485 Q C -1.776 174.383 176.000 0.265 0.000 1.106 485 Q CA -0.978 54.949 55.803 0.207 0.000 0.814 485 Q CB 2.984 31.795 28.738 0.121 0.000 1.425 485 Q HN 0.623 nan 8.270 nan 0.000 0.437 486 Y N -0.047 120.260 120.300 0.012 0.000 2.357 486 Y HA 0.148 4.712 4.550 0.024 0.000 0.319 486 Y C -0.682 175.155 175.900 -0.105 0.000 1.225 486 Y CA -0.782 57.293 58.100 -0.041 0.000 1.095 486 Y CB 1.991 40.413 38.460 -0.064 0.000 1.302 486 Y HN 0.956 nan 8.280 nan 0.000 0.429 487 E N 3.324 123.032 120.200 -0.820 0.000 2.385 487 E HA 0.150 4.517 4.350 0.027 0.000 0.194 487 E C 0.610 176.750 176.600 -0.766 0.000 1.013 487 E CA 0.666 56.689 56.400 -0.629 0.000 0.866 487 E CB 0.308 29.771 29.700 -0.394 0.000 0.832 487 E HN 0.882 nan 8.360 nan 0.000 0.500 488 G N -0.310 107.593 108.800 -1.494 0.000 2.554 488 G HA2 0.280 4.256 3.960 0.027 0.000 0.238 488 G HA3 0.280 4.256 3.960 0.027 0.000 0.238 488 G C 0.766 175.501 174.900 -0.276 0.000 1.259 488 G CA 0.209 44.883 45.100 -0.709 0.000 0.843 488 G HN 0.299 nan 8.290 nan 0.000 0.582 489 G N -0.962 107.794 108.800 -0.072 0.000 2.147 489 G HA2 0.238 4.214 3.960 0.027 0.000 0.244 489 G HA3 0.238 4.214 3.960 0.027 0.000 0.244 489 G C 1.239 176.152 174.900 0.022 0.000 1.005 489 G CA 0.998 46.127 45.100 0.047 0.000 0.713 489 G HN 2.601 nan 8.290 nan 0.000 0.515 490 G N -1.493 107.309 108.800 0.002 0.000 2.192 490 G HA2 0.434 4.410 3.960 0.027 0.000 0.193 490 G HA3 0.434 4.410 3.960 0.027 0.000 0.193 490 G C 1.069 176.091 174.900 0.203 0.000 0.999 490 G CA 1.274 46.441 45.100 0.113 0.000 0.659 490 G HN 2.345 nan 8.290 nan 0.000 0.503 491 A N -0.216 122.600 122.820 -0.005 0.000 3.413 491 A HA -0.126 4.211 4.320 0.027 0.000 0.268 491 A C 1.112 178.627 177.584 -0.115 0.000 1.128 491 A CA 2.630 54.601 52.037 -0.109 0.000 1.062 491 A CB -1.748 17.168 19.000 -0.140 0.000 1.121 491 A HN 2.121 nan 8.150 nan 0.000 0.895 492 D N -0.936 119.482 120.400 0.029 0.000 2.760 492 D HA 0.297 4.954 4.640 0.027 0.000 0.314 492 D C 0.390 176.692 176.300 0.002 0.000 1.464 492 D CA 0.835 54.857 54.000 0.036 0.000 0.797 492 D CB -1.158 39.803 40.800 0.269 0.000 1.149 492 D HN 0.811 nan 8.370 nan 0.000 0.455 493 T N -2.314 112.172 114.554 -0.113 0.000 2.689 493 T HA 0.199 4.565 4.350 0.027 0.000 0.308 493 T C 1.571 176.144 174.700 -0.211 0.000 1.021 493 T CA 0.497 62.471 62.100 -0.209 0.000 0.973 493 T CB 0.661 69.162 68.868 -0.611 0.000 1.113 493 T HN 0.074 nan 8.240 nan 0.000 0.522 494 T N -2.679 111.755 114.554 -0.200 0.000 3.160 494 T HA 0.276 4.643 4.350 0.027 0.000 0.257 494 T C 1.375 175.825 174.700 -0.417 0.000 1.147 494 T CA 0.168 62.154 62.100 -0.190 0.000 1.064 494 T CB -0.489 68.359 68.868 -0.034 0.000 0.949 494 T HN 0.829 nan 8.240 nan 0.000 0.526 495 A N 0.402 122.973 122.820 -0.415 0.000 2.545 495 A HA 0.541 4.877 4.320 0.027 0.000 0.277 495 A C 0.712 178.120 177.584 -0.293 0.000 1.301 495 A CA -0.399 51.372 52.037 -0.443 0.000 0.935 495 A CB 0.155 19.139 19.000 -0.028 0.000 1.093 495 A HN 0.411 nan 8.150 nan 0.000 0.519 496 T N -1.269 113.116 114.554 -0.282 0.000 2.952 496 T HA 0.347 4.714 4.350 0.027 0.000 0.305 496 T C -0.625 174.087 174.700 0.020 0.000 1.064 496 T CA -0.425 61.665 62.100 -0.017 0.000 1.008 496 T CB 1.218 70.070 68.868 -0.026 0.000 1.078 496 T HN 0.098 nan 8.240 nan 0.000 0.459 497 D N 2.882 123.379 120.400 0.160 0.000 2.348 497 D HA 0.245 4.902 4.640 0.027 0.000 0.211 497 D C 0.358 176.688 176.300 0.050 0.000 0.998 497 D CA 0.729 54.809 54.000 0.133 0.000 0.873 497 D CB 0.436 41.345 40.800 0.181 0.000 0.925 497 D HN 0.530 nan 8.370 nan 0.000 0.524 498 I N 1.052 121.633 120.570 0.019 0.000 2.498 498 I HA 0.242 4.428 4.170 0.027 0.000 0.290 498 I C -0.154 175.899 176.117 -0.108 0.000 1.032 498 I CA -0.857 60.421 61.300 -0.037 0.000 1.073 498 I CB 2.782 40.775 38.000 -0.013 0.000 1.251 498 I HN -0.347 nan 8.210 nan 0.000 0.426 499 I N 5.913 126.373 120.570 -0.183 0.000 2.505 499 I HA 0.026 4.212 4.170 0.027 0.000 0.287 499 I C 0.272 176.177 176.117 -0.354 0.000 1.104 499 I CA 0.059 61.150 61.300 -0.349 0.000 1.387 499 I CB 0.086 37.761 38.000 -0.542 0.000 1.404 499 I HN 0.689 nan 8.210 nan 0.000 0.528 500 C N 5.690 124.799 119.300 -0.319 0.000 3.401 500 C HA 0.464 4.940 4.460 0.027 0.000 0.204 500 C C -2.127 172.732 174.990 -0.219 0.000 1.522 500 C CA -2.304 56.584 59.018 -0.217 0.000 1.409 500 C CB -0.925 26.749 27.740 -0.110 0.000 1.967 500 C HN 0.418 nan 8.230 nan 0.000 0.496 501 P HA 0.265 nan 4.420 nan 0.000 0.271 501 P C -0.403 176.852 177.300 -0.075 0.000 1.233 501 P CA 0.432 63.433 63.100 -0.165 0.000 0.789 501 P CB 0.707 32.333 31.700 -0.123 0.000 0.951 502 M N 0.211 119.793 119.600 -0.031 0.000 2.181 502 M HA 0.444 4.940 4.480 0.027 0.000 0.323 502 M C -0.786 175.530 176.300 0.028 0.000 1.004 502 M CA -0.629 54.558 55.300 -0.188 0.000 0.941 502 M CB 1.168 33.622 32.600 -0.244 0.000 1.579 502 M HN 0.325 nan 8.290 nan 0.000 0.427 503 Y N -0.087 120.383 120.300 0.282 0.000 4.409 503 Y HA -0.227 4.340 4.550 0.028 0.000 0.228 503 Y C 0.518 176.599 175.900 0.303 0.000 1.108 503 Y CA 0.435 58.709 58.100 0.289 0.000 1.955 503 Y CB -2.238 36.369 38.460 0.246 0.000 1.615 503 Y HN 0.982 nan 8.280 nan 0.000 0.665 504 A N 1.197 124.249 122.820 0.387 0.000 2.440 504 A HA 0.551 4.887 4.320 0.027 0.000 0.251 504 A C 0.715 178.533 177.584 0.389 0.000 1.089 504 A CA -0.442 51.825 52.037 0.383 0.000 0.779 504 A CB 0.373 19.638 19.000 0.441 0.000 1.022 504 A HN 0.415 nan 8.150 nan 0.000 0.492 505 R N 1.560 122.216 120.500 0.260 0.000 2.577 505 R HA 0.311 4.667 4.340 0.027 0.000 0.269 505 R C 1.022 177.301 176.300 -0.035 0.000 1.084 505 R CA -0.701 55.479 56.100 0.133 0.000 1.163 505 R CB 0.581 30.927 30.300 0.077 0.000 1.100 505 R HN 0.491 nan 8.270 nan 0.000 0.547 506 V N 0.762 120.492 119.914 -0.307 0.000 2.244 506 V HA -0.218 3.918 4.120 0.027 0.000 0.244 506 V C 1.006 176.985 176.094 -0.190 0.000 1.042 506 V CA 1.896 63.969 62.300 -0.378 0.000 1.006 506 V CB -0.256 31.210 31.823 -0.596 0.000 0.641 506 V HN 0.751 nan 8.190 nan 0.000 0.446 507 D N -1.542 118.779 120.400 -0.131 0.000 2.454 507 D HA 0.103 4.759 4.640 0.027 0.000 0.219 507 D C 0.921 177.206 176.300 -0.025 0.000 1.081 507 D CA 0.067 54.024 54.000 -0.072 0.000 0.867 507 D CB 0.609 41.372 40.800 -0.063 0.000 1.054 507 D HN 0.468 nan 8.370 nan 0.000 0.500 508 E N 1.918 122.107 120.200 -0.017 0.000 2.167 508 E HA 0.095 4.461 4.350 0.027 0.000 0.284 508 E C -0.809 175.792 176.600 0.002 0.000 1.016 508 E CA -0.560 55.838 56.400 -0.003 0.000 0.817 508 E CB 0.856 30.556 29.700 -0.000 0.000 1.080 508 E HN -0.148 nan 8.360 nan 0.000 0.397 509 D N 3.614 124.016 120.400 0.003 0.000 2.304 509 D HA 0.116 4.772 4.640 0.027 0.000 0.247 509 D C -0.502 175.684 176.300 -0.189 0.000 1.089 509 D CA 0.226 54.217 54.000 -0.016 0.000 0.910 509 D CB 1.106 41.972 40.800 0.109 0.000 1.199 509 D HN 0.415 nan 8.370 nan 0.000 0.426 510 Q N 1.544 121.092 119.800 -0.420 0.000 2.771 510 Q HA 0.242 4.598 4.340 0.027 0.000 0.247 510 Q C -2.248 173.011 176.000 -1.235 0.000 0.986 510 Q CA -1.544 53.795 55.803 -0.773 0.000 0.713 510 Q CB 2.317 30.616 28.738 -0.731 0.000 1.241 510 Q HN 0.159 nan 8.270 nan 0.000 0.488 511 P HA 0.022 nan 4.420 nan 0.000 0.226 511 P C -0.676 176.257 177.300 -0.611 0.000 1.783 511 P CA -0.076 62.518 63.100 -0.844 0.000 0.980 511 P CB -0.653 30.788 31.700 -0.431 0.000 1.967 512 F N 1.618 121.382 119.950 -0.311 0.000 2.553 512 F HA 0.178 4.721 4.527 0.026 0.000 0.356 512 F C -1.262 174.421 175.800 -0.196 0.000 1.142 512 F CA -2.419 55.461 58.000 -0.200 0.000 1.322 512 F CB -0.734 38.169 39.000 -0.162 0.000 1.126 512 F HN 0.040 nan 8.300 nan 0.000 0.599 513 P HA 0.087 nan 4.420 nan 0.000 0.268 513 P C 0.339 177.653 177.300 0.023 0.000 1.205 513 P CA 1.140 64.252 63.100 0.020 0.000 0.771 513 P CB 1.052 32.766 31.700 0.023 0.000 0.858 514 A N 2.610 125.436 122.820 0.010 0.000 2.617 514 A HA -0.250 4.086 4.320 0.027 0.000 0.236 514 A C 0.741 178.337 177.584 0.020 0.000 0.514 514 A CA 2.104 54.154 52.037 0.022 0.000 1.126 514 A CB -2.674 16.340 19.000 0.023 0.000 1.393 514 A HN 0.662 nan 8.150 nan 0.000 0.693 515 V N -3.042 116.880 119.914 0.013 0.000 2.468 515 V HA 0.539 4.675 4.120 0.027 0.000 0.256 515 V C -2.316 173.767 176.094 -0.018 0.000 0.998 515 V CA -1.298 61.013 62.300 0.018 0.000 1.114 515 V CB 0.506 32.348 31.823 0.032 0.000 1.378 515 V HN 0.484 nan 8.190 nan 0.000 0.573 516 P HA 0.193 nan 4.420 nan 0.000 0.268 516 P C -0.533 176.322 177.300 -0.742 0.000 1.208 516 P CA 0.243 62.919 63.100 -0.706 0.000 0.777 516 P CB 0.971 31.770 31.700 -1.501 0.000 0.875 517 K N 2.325 122.309 120.400 -0.693 0.000 2.419 517 K HA 0.191 4.528 4.320 0.027 0.000 0.244 517 K C -0.456 175.832 176.600 -0.520 0.000 1.045 517 K CA -0.282 55.809 56.287 -0.326 0.000 1.004 517 K CB 0.316 32.903 32.500 0.144 0.000 1.376 517 K HN 0.470 nan 8.250 nan 0.000 0.460 518 W N 1.267 122.230 121.300 -0.561 0.000 2.126 518 W HA 0.059 4.736 4.660 0.028 0.000 0.346 518 W C 1.331 177.848 176.519 -0.003 0.000 1.279 518 W CA -0.414 56.701 57.345 -0.384 0.000 1.259 518 W CB 0.432 29.486 29.460 -0.678 0.000 1.133 518 W HN 0.357 nan 8.180 nan 0.000 0.592 519 S N 3.221 119.070 115.700 0.249 0.000 2.558 519 S HA -0.083 4.403 4.470 0.027 0.000 0.293 519 S C 1.221 175.971 174.600 0.250 0.000 1.292 519 S CA -0.122 58.176 58.200 0.164 0.000 1.063 519 S CB 0.169 63.415 63.200 0.077 0.000 0.831 519 S HN 0.526 nan 8.310 nan 0.000 0.499 520 I N 2.004 122.685 120.570 0.186 0.000 2.361 520 I HA -0.146 4.040 4.170 0.027 0.000 0.251 520 I C 2.015 178.149 176.117 0.029 0.000 1.133 520 I CA 1.283 62.689 61.300 0.176 0.000 1.413 520 I CB -0.426 37.626 38.000 0.087 0.000 1.073 520 I HN 0.603 nan 8.210 nan 0.000 0.424 521 K N 1.572 121.886 120.400 -0.144 0.000 2.057 521 K HA -0.160 4.176 4.320 0.027 0.000 0.207 521 K C 2.326 178.897 176.600 -0.047 0.000 1.049 521 K CA 1.732 57.840 56.287 -0.300 0.000 0.931 521 K CB -0.219 32.035 32.500 -0.410 0.000 0.714 521 K HN 0.364 nan 8.250 nan 0.000 0.440 522 K N 0.063 120.467 120.400 0.006 0.000 2.103 522 K HA -0.167 4.169 4.320 0.027 0.000 0.204 522 K C 1.882 178.491 176.600 0.014 0.000 1.052 522 K CA 0.844 57.123 56.287 -0.014 0.000 0.945 522 K CB -0.065 32.399 32.500 -0.060 0.000 0.722 522 K HN 0.227 nan 8.250 nan 0.000 0.443 523 W N 2.204 123.476 121.300 -0.047 0.000 2.338 523 W HA -0.182 4.490 4.660 0.020 0.000 0.304 523 W C 1.651 178.139 176.519 -0.053 0.000 1.212 523 W CA 1.063 58.389 57.345 -0.031 0.000 1.264 523 W CB -0.645 28.880 29.460 0.109 0.000 1.142 523 W HN 0.074 nan 8.180 nan 0.000 0.512 524 L N 0.794 122.165 121.223 0.247 0.000 2.081 524 L HA -0.252 4.104 4.340 0.027 0.000 0.212 524 L C 2.181 179.111 176.870 0.099 0.000 1.080 524 L CA 2.041 56.960 54.840 0.131 0.000 0.754 524 L CB -1.022 41.098 42.059 0.101 0.000 0.893 524 L HN -0.007 nan 8.230 nan 0.000 0.433 525 S N -1.398 114.344 115.700 0.069 0.000 2.582 525 S HA 0.279 4.765 4.470 0.027 0.000 0.234 525 S C 0.530 175.112 174.600 -0.029 0.000 0.961 525 S CA -0.553 57.661 58.200 0.024 0.000 0.953 525 S CB -0.445 62.770 63.200 0.025 0.000 0.800 525 S HN 0.144 nan 8.310 nan 0.000 0.471 526 L N 1.720 122.914 121.223 -0.048 0.000 2.492 526 L HA 0.232 4.589 4.340 0.027 0.000 0.280 526 L C -2.206 174.624 176.870 -0.066 0.000 1.240 526 L CA -1.756 53.002 54.840 -0.137 0.000 0.831 526 L CB -0.406 41.535 42.059 -0.197 0.000 1.100 526 L HN 0.014 nan 8.230 nan 0.000 0.505 527 P HA -0.020 nan 4.420 nan 0.000 0.261 527 P C 0.730 178.020 177.300 -0.017 0.000 1.183 527 P CA 1.151 64.223 63.100 -0.046 0.000 0.761 527 P CB 0.557 32.225 31.700 -0.052 0.000 0.785 528 G N 1.973 110.771 108.800 -0.004 0.000 2.267 528 G HA2 -0.289 3.687 3.960 0.027 0.000 0.257 528 G HA3 -0.289 3.687 3.960 0.027 0.000 0.257 528 G C 0.319 175.232 174.900 0.023 0.000 0.998 528 G CA 0.213 45.319 45.100 0.010 0.000 0.620 528 G HN 0.618 nan 8.290 nan 0.000 0.529 529 E N 1.164 121.382 120.200 0.030 0.000 2.360 529 E HA 0.566 4.932 4.350 0.027 0.000 0.269 529 E C 1.325 177.947 176.600 0.036 0.000 1.022 529 E CA 0.827 57.257 56.400 0.050 0.000 0.887 529 E CB 0.706 30.462 29.700 0.093 0.000 0.990 529 E HN 0.574 nan 8.360 nan 0.000 0.426 530 T N 0.677 115.248 114.554 0.030 0.000 3.130 530 T HA 0.330 4.696 4.350 0.027 0.000 0.288 530 T C 0.548 175.254 174.700 0.011 0.000 0.936 530 T CA -0.499 61.613 62.100 0.020 0.000 0.897 530 T CB 0.076 68.955 68.868 0.019 0.000 1.178 530 T HN 0.253 nan 8.240 nan 0.000 0.543 531 R N 2.202 122.704 120.500 0.004 0.000 2.649 531 R HA 0.489 4.846 4.340 0.027 0.000 0.270 531 R C -2.541 173.736 176.300 -0.037 0.000 1.105 531 R CA -1.897 54.194 56.100 -0.014 0.000 1.193 531 R CB 0.072 30.357 30.300 -0.026 0.000 1.120 531 R HN 0.207 nan 8.270 nan 0.000 0.561 532 P HA 0.086 nan 4.420 nan 0.000 0.274 532 P C -1.096 176.132 177.300 -0.120 0.000 1.237 532 P CA -0.077 62.978 63.100 -0.074 0.000 0.793 532 P CB 0.664 32.321 31.700 -0.071 0.000 0.977 533 L N 2.785 123.916 121.223 -0.154 0.000 2.349 533 L HA 0.574 4.930 4.340 0.027 0.000 0.278 533 L C -1.020 175.705 176.870 -0.241 0.000 0.996 533 L CA -0.665 54.046 54.840 -0.215 0.000 0.825 533 L CB 0.613 42.540 42.059 -0.220 0.000 1.243 533 L HN 0.238 nan 8.230 nan 0.000 0.412 534 I N 5.709 126.146 120.570 -0.223 0.000 2.497 534 I HA 0.244 4.431 4.170 0.027 0.000 0.284 534 I C -0.741 175.289 176.117 -0.146 0.000 1.060 534 I CA -0.570 60.585 61.300 -0.241 0.000 1.071 534 I CB 1.947 39.857 38.000 -0.150 0.000 1.216 534 I HN 0.464 nan 8.210 nan 0.000 0.442 535 L N 5.619 126.732 121.223 -0.184 0.000 2.513 535 L HA -0.011 4.345 4.340 0.027 0.000 0.272 535 L C 1.563 178.531 176.870 0.164 0.000 1.187 535 L CA -0.022 54.789 54.840 -0.047 0.000 0.895 535 L CB 0.486 42.516 42.059 -0.049 0.000 1.147 535 L HN 0.870 nan 8.230 nan 0.000 0.483 536 C N 1.079 120.449 119.300 0.117 0.000 2.446 536 C HA 0.059 4.535 4.460 0.027 0.000 0.279 536 C C 0.738 175.895 174.990 0.278 0.000 1.366 536 C CA -0.037 59.098 59.018 0.194 0.000 1.763 536 C CB -0.958 26.803 27.740 0.034 0.000 1.929 536 C HN 0.818 nan 8.230 nan 0.000 0.509 537 Q N -0.571 119.323 119.800 0.157 0.000 2.295 537 Q HA 0.616 4.972 4.340 0.027 0.000 0.268 537 Q C -1.464 174.537 176.000 0.002 0.000 1.010 537 Q CA -0.339 55.545 55.803 0.135 0.000 0.856 537 Q CB 2.214 30.835 28.738 -0.195 0.000 1.349 537 Q HN 0.764 nan 8.270 nan 0.000 0.412 538 Y N -0.402 119.929 120.300 0.051 0.000 2.609 538 Y HA 0.816 5.383 4.550 0.029 0.000 0.336 538 Y C -0.701 175.355 175.900 0.261 0.000 1.129 538 Y CA -0.750 57.365 58.100 0.024 0.000 1.040 538 Y CB 1.004 39.310 38.460 -0.255 0.000 1.310 538 Y HN 0.963 nan 8.280 nan 0.000 0.460 539 A N 1.621 124.536 122.820 0.159 0.000 2.454 539 A HA -0.008 4.329 4.320 0.027 0.000 0.685 539 A C -1.397 176.430 177.584 0.406 0.000 0.152 539 A CA 0.537 52.686 52.037 0.187 0.000 0.038 539 A CB -1.342 17.700 19.000 0.071 0.000 3.970 539 A HN 1.640 nan 8.150 nan 0.000 0.548 540 H N 0.932 120.126 119.070 0.207 0.000 3.108 540 H HA 0.516 5.088 4.556 0.027 0.000 0.301 540 H C 0.262 175.653 175.328 0.105 0.000 1.139 540 H CA 0.296 56.508 56.048 0.273 0.000 1.552 540 H CB 0.766 30.559 29.762 0.053 0.000 1.663 540 H HN 1.557 nan 8.280 nan 0.000 0.517 541 A N 6.065 128.793 122.820 -0.154 0.000 2.604 541 A HA 0.099 4.435 4.320 0.027 0.000 0.248 541 A C 0.745 178.141 177.584 -0.314 0.000 1.466 541 A CA -0.270 51.637 52.037 -0.218 0.000 1.222 541 A CB -0.766 18.112 19.000 -0.203 0.000 0.945 541 A HN 0.704 nan 8.150 nan 0.000 0.600 542 M N 1.300 120.721 119.600 -0.299 0.000 2.105 542 M HA 0.468 4.965 4.480 0.027 0.000 0.350 542 M C 0.945 177.018 176.300 -0.378 0.000 1.308 542 M CA 1.111 56.226 55.300 -0.308 0.000 1.108 542 M CB 0.080 32.582 32.600 -0.163 0.000 1.622 542 M HN 0.815 nan 8.290 nan 0.000 0.468 543 G N 4.190 112.692 108.800 -0.496 0.000 2.547 543 G HA2 -0.330 3.646 3.960 0.027 0.000 0.271 543 G HA3 -0.330 3.646 3.960 0.027 0.000 0.271 543 G C -0.275 174.032 174.900 -0.988 0.000 1.209 543 G CA -0.062 44.604 45.100 -0.723 0.000 0.959 543 G HN 0.833 nan 8.290 nan 0.000 0.563 544 N N 1.124 119.146 118.700 -1.131 0.000 2.421 544 N HA 0.506 5.262 4.740 0.027 0.000 0.260 544 N C 0.095 175.314 175.510 -0.485 0.000 1.173 544 N CA 1.057 53.592 53.050 -0.860 0.000 0.960 544 N CB 0.663 38.669 38.487 -0.802 0.000 1.273 544 N HN 0.880 nan 8.380 nan 0.000 0.497 545 S N 2.332 117.827 115.700 -0.341 0.000 3.121 545 S HA 0.555 5.041 4.470 0.027 0.000 0.324 545 S C -0.115 174.399 174.600 -0.144 0.000 1.192 545 S CA -0.298 57.767 58.200 -0.226 0.000 0.937 545 S CB -0.084 62.992 63.200 -0.205 0.000 1.336 545 S HN 0.361 nan 8.310 nan 0.000 0.664 546 L N 0.087 121.269 121.223 -0.068 0.000 4.800 546 L HA -0.065 4.292 4.340 0.027 0.000 0.412 546 L C 0.569 177.481 176.870 0.070 0.000 1.063 546 L CA 0.900 55.735 54.840 -0.009 0.000 1.114 546 L CB -1.762 40.206 42.059 -0.152 0.000 2.089 546 L HN 0.742 nan 8.230 nan 0.000 0.686 547 G N -0.821 107.987 108.800 0.014 0.000 2.365 547 G HA2 0.464 4.440 3.960 0.027 0.000 0.249 547 G HA3 0.464 4.440 3.960 0.027 0.000 0.249 547 G C 1.232 176.181 174.900 0.080 0.000 1.288 547 G CA 0.170 45.261 45.100 -0.016 0.000 0.887 547 G HN 1.346 nan 8.290 nan 0.000 0.524 548 G N 1.760 110.604 108.800 0.074 0.000 2.176 548 G HA2 -0.321 3.655 3.960 0.027 0.000 0.253 548 G HA3 -0.321 3.655 3.960 0.027 0.000 0.253 548 G C 1.024 176.111 174.900 0.311 0.000 0.979 548 G CA 0.749 45.947 45.100 0.164 0.000 0.641 548 G HN 0.773 nan 8.290 nan 0.000 0.530 549 F N 1.878 121.949 119.950 0.202 0.000 2.120 549 F HA 0.070 4.614 4.527 0.028 0.000 0.300 549 F C 2.712 178.727 175.800 0.359 0.000 1.095 549 F CA 2.641 60.835 58.000 0.323 0.000 1.249 549 F CB -0.484 38.652 39.000 0.226 0.000 0.995 549 F HN 0.362 nan 8.300 nan 0.000 0.480 550 A N -0.423 122.582 122.820 0.309 0.000 2.024 550 A HA -0.254 4.082 4.320 0.027 0.000 0.220 550 A C 2.279 179.888 177.584 0.041 0.000 1.164 550 A CA 1.774 53.915 52.037 0.173 0.000 0.643 550 A CB -0.836 18.267 19.000 0.171 0.000 0.806 550 A HN 0.464 nan 8.150 nan 0.000 0.451 551 K N -1.654 118.750 120.400 0.008 0.000 2.147 551 K HA -0.171 4.165 4.320 0.027 0.000 0.205 551 K C 1.624 177.989 176.600 -0.391 0.000 1.049 551 K CA 1.530 57.733 56.287 -0.140 0.000 0.936 551 K CB -0.283 32.145 32.500 -0.119 0.000 0.722 551 K HN 0.604 nan 8.250 nan 0.000 0.446 552 Y N -0.997 119.018 120.300 -0.474 0.000 2.163 552 Y HA -0.207 4.359 4.550 0.026 0.000 0.288 552 Y C 1.929 176.840 175.900 -1.647 0.000 1.136 552 Y CA 1.377 58.816 58.100 -1.101 0.000 1.147 552 Y CB -0.291 37.453 38.460 -1.193 0.000 0.987 552 Y HN 0.147 nan 8.280 nan 0.000 0.509 553 W N 0.127 120.983 121.300 -0.741 0.000 2.363 553 W HA -0.205 4.473 4.660 0.030 0.000 0.296 553 W C 2.621 178.953 176.519 -0.311 0.000 1.212 553 W CA 1.531 58.568 57.345 -0.515 0.000 1.260 553 W CB -0.609 28.655 29.460 -0.327 0.000 1.131 553 W HN 0.047 nan 8.180 nan 0.000 0.530 554 Q N 0.773 120.480 119.800 -0.156 0.000 2.084 554 Q HA -0.178 4.178 4.340 0.027 0.000 0.202 554 Q C 2.189 178.128 176.000 -0.102 0.000 0.978 554 Q CA 2.074 57.830 55.803 -0.077 0.000 0.844 554 Q CB -0.585 28.123 28.738 -0.049 0.000 0.898 554 Q HN 0.275 nan 8.270 nan 0.000 0.426 555 A N 0.068 122.736 122.820 -0.253 0.000 1.873 555 A HA -0.114 4.222 4.320 0.027 0.000 0.215 555 A C 2.057 179.629 177.584 -0.021 0.000 1.186 555 A CA 1.109 53.040 52.037 -0.177 0.000 0.616 555 A CB -1.102 17.673 19.000 -0.375 0.000 0.823 555 A HN 0.482 nan 8.150 nan 0.000 0.442 556 F N -0.395 119.370 119.950 -0.308 0.000 2.161 556 F HA -0.236 4.308 4.527 0.028 0.000 0.300 556 F C 2.784 178.478 175.800 -0.176 0.000 1.089 556 F CA 1.182 58.968 58.000 -0.356 0.000 1.282 556 F CB -0.168 38.389 39.000 -0.739 0.000 1.010 556 F HN 0.176 nan 8.300 nan 0.000 0.485 557 R N -0.028 120.522 120.500 0.084 0.000 2.119 557 R HA -0.147 4.209 4.340 0.027 0.000 0.222 557 R C 2.110 178.439 176.300 0.048 0.000 1.088 557 R CA 1.056 57.189 56.100 0.055 0.000 0.984 557 R CB -0.365 29.962 30.300 0.045 0.000 0.884 557 R HN 0.362 nan 8.270 nan 0.000 0.447 558 Q N -0.345 119.510 119.800 0.091 0.000 2.187 558 Q HA -0.053 4.304 4.340 0.027 0.000 0.199 558 Q C -0.477 175.525 176.000 0.002 0.000 0.957 558 Q CA 0.907 56.741 55.803 0.053 0.000 0.857 558 Q CB 0.393 29.188 28.738 0.095 0.000 0.929 558 Q HN 0.198 nan 8.270 nan 0.000 0.453 559 Y N 0.087 120.366 120.300 -0.036 0.000 2.342 559 Y HA 0.270 4.834 4.550 0.024 0.000 0.338 559 Y C -1.797 174.073 175.900 -0.050 0.000 0.965 559 Y CA -2.705 55.373 58.100 -0.036 0.000 1.159 559 Y CB 1.562 40.005 38.460 -0.028 0.000 1.157 559 Y HN 0.113 nan 8.280 nan 0.000 0.486 560 P HA -0.184 nan 4.420 nan 0.000 0.215 560 P C 1.146 178.443 177.300 -0.005 0.000 1.157 560 P CA 1.865 64.964 63.100 -0.002 0.000 0.874 560 P CB 0.299 31.984 31.700 -0.025 0.000 0.790 561 R N -1.146 119.370 120.500 0.026 0.000 2.316 561 R HA 0.065 4.421 4.340 0.027 0.000 0.202 561 R C 0.490 176.761 176.300 -0.048 0.000 1.029 561 R CA 0.176 56.272 56.100 -0.007 0.000 1.018 561 R CB -0.570 29.737 30.300 0.011 0.000 0.888 561 R HN 0.246 nan 8.270 nan 0.000 0.471 562 L N 1.952 123.161 121.223 -0.023 0.000 2.334 562 L HA 0.107 4.463 4.340 0.027 0.000 0.286 562 L C 0.557 177.255 176.870 -0.287 0.000 1.108 562 L CA 0.191 54.960 54.840 -0.120 0.000 0.875 562 L CB 0.995 43.058 42.059 0.006 0.000 1.246 562 L HN 0.079 nan 8.230 nan 0.000 0.439 563 Q N 2.765 122.326 119.800 -0.397 0.000 2.211 563 Q HA 0.304 4.660 4.340 0.027 0.000 0.231 563 Q C 0.884 176.462 176.000 -0.704 0.000 0.865 563 Q CA 0.126 55.667 55.803 -0.436 0.000 0.997 563 Q CB 0.981 29.562 28.738 -0.262 0.000 1.101 563 Q HN 0.956 nan 8.270 nan 0.000 0.468 564 G N -0.244 107.748 108.800 -1.347 0.000 2.445 564 G HA2 0.069 4.046 3.960 0.027 0.000 0.212 564 G HA3 0.069 4.046 3.960 0.027 0.000 0.212 564 G C -0.221 173.846 174.900 -1.388 0.000 1.217 564 G CA -0.742 43.158 45.100 -2.001 0.000 1.002 564 G HN 0.613 nan 8.290 nan 0.000 0.574 565 G N -2.219 106.074 108.800 -0.845 0.000 2.349 565 G HA2 0.635 4.611 3.960 0.027 0.000 0.294 565 G HA3 0.635 4.611 3.960 0.027 0.000 0.294 565 G C -1.816 173.020 174.900 -0.106 0.000 1.380 565 G CA -0.248 44.586 45.100 -0.443 0.000 0.811 565 G HN 1.151 nan 8.290 nan 0.000 0.519 566 F N 0.718 120.942 119.950 0.457 0.000 2.403 566 F HA 0.510 5.052 4.527 0.025 0.000 0.355 566 F C 0.812 176.875 175.800 0.439 0.000 1.119 566 F CA -0.749 57.512 58.000 0.436 0.000 1.007 566 F CB 2.021 41.178 39.000 0.262 0.000 1.194 566 F HN 0.256 nan 8.300 nan 0.000 0.443 567 V N 3.530 123.711 119.914 0.446 0.000 2.788 567 V HA -0.175 3.961 4.120 0.027 0.000 0.307 567 V C -0.188 176.028 176.094 0.202 0.000 1.069 567 V CA -0.090 62.254 62.300 0.073 0.000 1.173 567 V CB 0.645 32.575 31.823 0.179 0.000 0.925 567 V HN 0.767 nan 8.190 nan 0.000 0.492 568 W N 6.638 127.983 121.300 0.075 0.000 2.278 568 W HA 0.432 5.108 4.660 0.027 0.000 0.317 568 W C -0.755 175.786 176.519 0.036 0.000 1.030 568 W CA -0.682 56.763 57.345 0.166 0.000 1.334 568 W CB 1.243 30.956 29.460 0.422 0.000 1.215 568 W HN 0.908 nan 8.180 nan 0.000 0.405 569 D N 2.901 122.945 120.400 -0.594 0.000 2.812 569 D HA 0.089 4.745 4.640 0.027 0.000 0.318 569 D C 0.683 176.790 176.300 -0.320 0.000 1.234 569 D CA -0.547 53.018 54.000 -0.725 0.000 0.989 569 D CB 0.179 40.010 40.800 -1.615 0.000 1.442 569 D HN 0.428 nan 8.370 nan 0.000 0.537 570 W N 0.429 121.457 121.300 -0.454 0.000 2.380 570 W HA 0.123 4.800 4.660 0.027 0.000 0.317 570 W C -0.106 176.258 176.519 -0.258 0.000 1.196 570 W CA 1.165 58.307 57.345 -0.338 0.000 1.307 570 W CB 0.344 29.618 29.460 -0.310 0.000 1.157 570 W HN 0.143 nan 8.180 nan 0.000 0.483 571 V N 2.485 122.207 119.914 -0.320 0.000 2.789 571 V HA 0.242 4.378 4.120 0.027 0.000 0.311 571 V C -0.927 175.013 176.094 -0.257 0.000 1.073 571 V CA -0.819 61.250 62.300 -0.385 0.000 0.921 571 V CB 1.607 33.276 31.823 -0.258 0.000 1.009 571 V HN -0.111 nan 8.190 nan 0.000 0.426 572 D N 3.898 124.160 120.400 -0.231 0.000 2.455 572 D HA 0.135 4.791 4.640 0.027 0.000 0.241 572 D C 0.235 176.362 176.300 -0.288 0.000 1.138 572 D CA 0.565 54.454 54.000 -0.186 0.000 0.877 572 D CB 0.912 41.673 40.800 -0.065 0.000 1.187 572 D HN 0.604 nan 8.370 nan 0.000 0.451 573 Q N 1.056 120.604 119.800 -0.420 0.000 3.122 573 Q HA 0.144 4.500 4.340 0.027 0.000 0.360 573 Q C -0.099 175.792 176.000 -0.181 0.000 1.300 573 Q CA -0.350 54.911 55.803 -0.903 0.000 0.982 573 Q CB 0.065 28.462 28.738 -0.567 0.000 1.534 573 Q HN 0.358 nan 8.270 nan 0.000 0.474 574 S N -0.121 115.603 115.700 0.039 0.000 2.616 574 S HA 0.641 5.127 4.470 0.027 0.000 0.277 574 S C -0.121 174.644 174.600 0.275 0.000 1.234 574 S CA -0.763 57.591 58.200 0.257 0.000 1.028 574 S CB 1.433 64.773 63.200 0.233 0.000 0.988 574 S HN 0.342 nan 8.310 nan 0.000 0.522 575 L N 1.639 122.946 121.223 0.140 0.000 2.354 575 L HA 0.527 4.884 4.340 0.027 0.000 0.269 575 L C -0.473 176.293 176.870 -0.173 0.000 1.005 575 L CA -1.186 53.615 54.840 -0.064 0.000 0.819 575 L CB 1.546 43.445 42.059 -0.267 0.000 1.311 575 L HN 0.561 nan 8.230 nan 0.000 0.423 576 I N 2.431 122.847 120.570 -0.257 0.000 2.441 576 I HA 0.258 4.445 4.170 0.027 0.000 0.287 576 I C 0.131 175.845 176.117 -0.672 0.000 1.049 576 I CA -0.053 60.966 61.300 -0.470 0.000 1.381 576 I CB 1.047 38.788 38.000 -0.432 0.000 1.409 576 I HN 0.571 nan 8.210 nan 0.000 0.523 577 K N 5.524 125.249 120.400 -1.125 0.000 2.350 577 K HA 0.567 4.904 4.320 0.027 0.000 0.241 577 K C -1.532 174.268 176.600 -1.334 0.000 0.994 577 K CA -0.725 54.838 56.287 -1.207 0.000 0.839 577 K CB 2.289 33.817 32.500 -1.619 0.000 1.244 577 K HN 0.235 nan 8.250 nan 0.000 0.443 578 Y N 0.759 120.861 120.300 -0.329 0.000 2.393 578 Y HA 0.137 4.703 4.550 0.027 0.000 0.341 578 Y C 0.252 176.245 175.900 0.155 0.000 0.988 578 Y CA -1.020 57.046 58.100 -0.058 0.000 1.078 578 Y CB 1.244 39.680 38.460 -0.040 0.000 1.203 578 Y HN 0.687 nan 8.280 nan 0.000 0.453 579 D N -0.128 120.511 120.400 0.398 0.000 2.469 579 D HA 0.075 4.731 4.640 0.027 0.000 0.278 579 D C 0.679 177.083 176.300 0.174 0.000 1.231 579 D CA -0.372 53.805 54.000 0.294 0.000 1.075 579 D CB 0.384 41.287 40.800 0.172 0.000 1.121 579 D HN 0.667 nan 8.370 nan 0.000 0.571 580 E N -0.728 119.536 120.200 0.106 0.000 2.118 580 E HA -0.211 4.155 4.350 0.027 0.000 0.195 580 E C 0.999 177.636 176.600 0.063 0.000 0.992 580 E CA 1.162 57.601 56.400 0.066 0.000 0.804 580 E CB -0.475 29.247 29.700 0.035 0.000 0.741 580 E HN 0.294 nan 8.360 nan 0.000 0.458 581 N N 0.047 118.790 118.700 0.073 0.000 2.398 581 N HA 0.059 4.816 4.740 0.027 0.000 0.188 581 N C 0.874 176.428 175.510 0.074 0.000 1.122 581 N CA 0.906 53.992 53.050 0.061 0.000 0.866 581 N CB 1.088 39.609 38.487 0.056 0.000 0.970 581 N HN 0.415 nan 8.380 nan 0.000 0.462 582 G N 0.412 109.279 108.800 0.111 0.000 2.157 582 G HA2 -0.255 3.721 3.960 0.027 0.000 0.248 582 G HA3 -0.255 3.721 3.960 0.027 0.000 0.248 582 G C -0.110 174.927 174.900 0.228 0.000 0.979 582 G CA -0.380 44.791 45.100 0.119 0.000 0.650 582 G HN 0.282 nan 8.290 nan 0.000 0.529 583 N N 1.958 120.791 118.700 0.223 0.000 2.514 583 N HA 0.418 5.174 4.740 0.027 0.000 0.277 583 N C -2.410 173.256 175.510 0.259 0.000 1.126 583 N CA -1.027 52.158 53.050 0.225 0.000 0.978 583 N CB 1.600 40.180 38.487 0.156 0.000 1.106 583 N HN 0.190 nan 8.380 nan 0.000 0.461 584 P HA 0.230 nan 4.420 nan 0.000 0.278 584 P C -0.523 176.734 177.300 -0.071 0.000 1.238 584 P CA -0.259 62.716 63.100 -0.209 0.000 0.794 584 P CB 0.639 32.231 31.700 -0.181 0.000 0.955 585 W N -0.378 120.683 121.300 -0.399 0.000 3.217 585 W HA 0.414 5.091 4.660 0.027 0.000 0.323 585 W C -1.476 174.875 176.519 -0.279 0.000 1.216 585 W CA -1.077 56.053 57.345 -0.359 0.000 1.194 585 W CB 0.376 29.416 29.460 -0.700 0.000 1.397 585 W HN 0.112 nan 8.180 nan 0.000 0.537 586 S N 1.818 117.598 115.700 0.134 0.000 2.448 586 S HA 0.557 5.043 4.470 0.027 0.000 0.279 586 S C 0.249 175.023 174.600 0.289 0.000 1.195 586 S CA -0.193 58.077 58.200 0.116 0.000 1.051 586 S CB 0.721 64.046 63.200 0.209 0.000 0.948 586 S HN 0.600 nan 8.310 nan 0.000 0.493 587 A N 3.117 125.947 122.820 0.018 0.000 2.311 587 A HA 0.897 5.234 4.320 0.027 0.000 0.334 587 A C -0.657 177.191 177.584 0.441 0.000 1.139 587 A CA -0.728 51.384 52.037 0.126 0.000 0.830 587 A CB 0.663 19.429 19.000 -0.389 0.000 1.234 587 A HN 0.840 nan 8.150 nan 0.000 0.483 588 Y N -1.125 119.494 120.300 0.531 0.000 2.965 588 Y HA 0.758 5.324 4.550 0.027 0.000 0.310 588 Y C 0.652 176.919 175.900 0.611 0.000 1.480 588 Y CA -1.353 57.064 58.100 0.529 0.000 1.094 588 Y CB -0.066 38.536 38.460 0.237 0.000 1.377 588 Y HN 0.926 nan 8.280 nan 0.000 0.514 589 G N -0.097 109.103 108.800 0.666 0.000 2.224 589 G HA2 0.362 4.339 3.960 0.027 0.000 0.239 589 G HA3 0.362 4.339 3.960 0.027 0.000 0.239 589 G C 0.969 176.181 174.900 0.520 0.000 1.240 589 G CA 0.484 45.901 45.100 0.529 0.000 0.896 589 G HN 1.988 nan 8.290 nan 0.000 0.496 590 G N 2.249 111.322 108.800 0.455 0.000 2.253 590 G HA2 -0.286 3.690 3.960 0.027 0.000 0.251 590 G HA3 -0.286 3.690 3.960 0.027 0.000 0.251 590 G C 0.920 175.998 174.900 0.297 0.000 0.998 590 G CA 0.680 45.983 45.100 0.339 0.000 0.621 590 G HN 0.649 nan 8.290 nan 0.000 0.524 591 D N -0.192 120.390 120.400 0.303 0.000 2.392 591 D HA 0.120 4.776 4.640 0.027 0.000 0.228 591 D C 1.343 177.478 176.300 -0.275 0.000 1.003 591 D CA 0.554 54.573 54.000 0.031 0.000 0.917 591 D CB -0.207 40.571 40.800 -0.036 0.000 0.890 591 D HN 0.496 nan 8.370 nan 0.000 0.532 592 F N -0.956 119.119 119.950 0.209 0.000 2.661 592 F HA 0.299 4.843 4.527 0.027 0.000 0.306 592 F C 1.802 177.690 175.800 0.146 0.000 1.094 592 F CA -0.113 57.972 58.000 0.142 0.000 1.254 592 F CB 0.834 39.921 39.000 0.146 0.000 1.040 592 F HN -0.038 nan 8.300 nan 0.000 0.562 593 G N 0.465 109.414 108.800 0.248 0.000 2.179 593 G HA2 -0.270 3.706 3.960 0.027 0.000 0.260 593 G HA3 -0.270 3.706 3.960 0.027 0.000 0.260 593 G C -0.211 174.823 174.900 0.224 0.000 0.977 593 G CA 0.125 45.343 45.100 0.196 0.000 0.641 593 G HN 0.397 nan 8.290 nan 0.000 0.533 594 D N 0.434 121.018 120.400 0.306 0.000 2.425 594 D HA 0.500 5.156 4.640 0.027 0.000 0.247 594 D C 0.109 176.525 176.300 0.193 0.000 1.147 594 D CA 0.949 55.114 54.000 0.275 0.000 0.879 594 D CB 1.625 42.647 40.800 0.370 0.000 1.179 594 D HN 0.383 nan 8.370 nan 0.000 0.456 595 T N 1.140 115.777 114.554 0.138 0.000 3.159 595 T HA 0.400 4.766 4.350 0.027 0.000 0.343 595 T C -2.806 171.928 174.700 0.056 0.000 1.364 595 T CA -1.120 61.033 62.100 0.089 0.000 1.102 595 T CB 1.104 70.026 68.868 0.091 0.000 1.263 595 T HN 0.244 nan 8.240 nan 0.000 0.477 596 P HA 0.507 nan 4.420 nan 0.000 0.272 596 P C -0.974 176.311 177.300 -0.025 0.000 1.240 596 P CA -0.330 62.767 63.100 -0.006 0.000 0.791 596 P CB 0.356 32.028 31.700 -0.047 0.000 0.978 597 N N -1.790 116.892 118.700 -0.029 0.000 2.610 597 N HA 0.276 5.033 4.740 0.027 0.000 0.264 597 N C -1.009 174.440 175.510 -0.101 0.000 1.348 597 N CA -0.766 52.238 53.050 -0.077 0.000 0.819 597 N CB 0.801 39.335 38.487 0.078 0.000 1.521 597 N HN 0.063 nan 8.380 nan 0.000 0.497 598 D N -0.190 120.079 120.400 -0.220 0.000 2.525 598 D HA 0.109 4.765 4.640 0.027 0.000 0.229 598 D C 0.566 177.056 176.300 0.317 0.000 1.202 598 D CA -0.087 53.870 54.000 -0.072 0.000 0.828 598 D CB 0.001 40.622 40.800 -0.299 0.000 1.008 598 D HN 0.725 nan 8.370 nan 0.000 0.493 599 R N 0.843 121.545 120.500 0.337 0.000 3.772 599 R HA -0.319 4.037 4.340 0.027 0.000 0.480 599 R C 1.035 177.432 176.300 0.162 0.000 0.241 599 R CA 1.495 57.816 56.100 0.368 0.000 1.508 599 R CB -1.649 28.785 30.300 0.222 0.000 0.956 599 R HN 0.163 nan 8.270 nan 0.000 0.583 600 Q N 1.548 121.100 119.800 -0.413 0.000 2.466 600 Q HA 0.010 4.366 4.340 0.027 0.000 0.210 600 Q C 1.480 177.222 176.000 -0.430 0.000 0.961 600 Q CA 1.226 56.585 55.803 -0.740 0.000 0.953 600 Q CB 0.039 28.084 28.738 -1.156 0.000 1.011 600 Q HN 0.607 nan 8.270 nan 0.000 0.516 601 F N 1.343 121.244 119.950 -0.082 0.000 2.641 601 F HA -0.095 4.448 4.527 0.027 0.000 0.298 601 F C 2.179 177.960 175.800 -0.030 0.000 1.146 601 F CA 0.886 58.911 58.000 0.042 0.000 1.464 601 F CB -0.047 39.041 39.000 0.146 0.000 1.101 601 F HN 0.420 nan 8.300 nan 0.000 0.585 602 C N -1.208 117.876 119.300 -0.359 0.000 2.576 602 C HA 0.247 4.724 4.460 0.027 0.000 0.267 602 C C 0.929 175.725 174.990 -0.324 0.000 1.364 602 C CA -0.498 58.089 59.018 -0.719 0.000 1.723 602 C CB -1.660 25.059 27.740 -1.701 0.000 1.778 602 C HN 0.191 nan 8.230 nan 0.000 0.572 603 M N 2.538 122.004 119.600 -0.224 0.000 2.036 603 M HA 0.291 4.787 4.480 0.027 0.000 0.337 603 M C -0.456 175.734 176.300 -0.183 0.000 1.012 603 M CA 0.308 55.503 55.300 -0.176 0.000 0.962 603 M CB 0.285 32.801 32.600 -0.140 0.000 1.423 603 M HN 0.345 nan 8.290 nan 0.000 0.405 604 N N 0.938 119.532 118.700 -0.177 0.000 2.240 604 N HA 0.200 4.956 4.740 0.027 0.000 0.240 604 N C 0.269 175.602 175.510 -0.295 0.000 1.277 604 N CA -0.534 52.370 53.050 -0.242 0.000 0.873 604 N CB 1.269 39.685 38.487 -0.118 0.000 1.222 604 N HN 0.659 nan 8.380 nan 0.000 0.507 605 G N -0.015 108.628 108.800 -0.261 0.000 2.451 605 G HA2 0.359 4.335 3.960 0.027 0.000 0.303 605 G HA3 0.359 4.335 3.960 0.027 0.000 0.303 605 G C 0.727 175.496 174.900 -0.219 0.000 1.166 605 G CA -0.560 44.365 45.100 -0.291 0.000 0.884 605 G HN 0.098 nan 8.290 nan 0.000 0.514 606 L N -0.097 120.938 121.223 -0.313 0.000 2.376 606 L HA 0.089 4.446 4.340 0.027 0.000 0.219 606 L C 0.864 177.490 176.870 -0.407 0.000 1.133 606 L CA 0.474 55.152 54.840 -0.270 0.000 0.816 606 L CB -0.373 41.525 42.059 -0.267 0.000 0.933 606 L HN 0.389 nan 8.230 nan 0.000 0.449 607 V N -5.165 114.350 119.914 -0.665 0.000 2.962 607 V HA 0.457 4.593 4.120 0.027 0.000 0.313 607 V C -0.221 175.460 176.094 -0.690 0.000 1.099 607 V CA -1.290 60.561 62.300 -0.747 0.000 0.971 607 V CB 1.588 32.942 31.823 -0.781 0.000 1.028 607 V HN -0.139 nan 8.190 nan 0.000 0.430 608 F N 1.772 121.298 119.950 -0.706 0.000 2.485 608 F HA 0.506 5.050 4.527 0.028 0.000 0.327 608 F C 1.981 177.612 175.800 -0.282 0.000 1.203 608 F CA 0.716 58.452 58.000 -0.440 0.000 1.295 608 F CB 0.799 39.574 39.000 -0.375 0.000 1.191 608 F HN 0.792 nan 8.300 nan 0.000 0.588 609 A N 0.755 123.612 122.820 0.062 0.000 2.024 609 A HA -0.222 4.114 4.320 0.027 0.000 0.220 609 A C 1.581 179.121 177.584 -0.074 0.000 1.164 609 A CA 1.869 53.915 52.037 0.015 0.000 0.643 609 A CB -0.956 18.096 19.000 0.087 0.000 0.806 609 A HN 0.785 nan 8.150 nan 0.000 0.451 610 D N -3.072 117.285 120.400 -0.071 0.000 2.319 610 D HA 0.173 4.829 4.640 0.027 0.000 0.230 610 D C 0.706 176.951 176.300 -0.091 0.000 1.094 610 D CA -0.030 53.900 54.000 -0.116 0.000 0.856 610 D CB -0.021 40.708 40.800 -0.117 0.000 0.915 610 D HN 0.225 nan 8.370 nan 0.000 0.517 611 R N -1.976 118.465 120.500 -0.098 0.000 3.489 611 R HA -0.121 4.235 4.340 0.027 0.000 0.489 611 R C -0.159 176.086 176.300 -0.092 0.000 0.770 611 R CA 1.181 57.221 56.100 -0.099 0.000 1.404 611 R CB -3.081 27.208 30.300 -0.018 0.000 2.091 611 R HN 0.254 nan 8.270 nan 0.000 0.456 612 T N 2.987 117.501 114.554 -0.067 0.000 2.928 612 T HA 0.305 4.671 4.350 0.027 0.000 0.305 612 T C -2.304 172.377 174.700 -0.031 0.000 1.035 612 T CA -0.499 61.575 62.100 -0.043 0.000 1.145 612 T CB 0.891 69.698 68.868 -0.101 0.000 0.963 612 T HN -0.070 nan 8.240 nan 0.000 0.545 613 P HA 0.296 nan 4.420 nan 0.000 0.277 613 P C -0.388 176.830 177.300 -0.136 0.000 1.240 613 P CA -0.404 62.611 63.100 -0.141 0.000 0.798 613 P CB 0.493 32.156 31.700 -0.063 0.000 0.979 614 H N 2.150 121.091 119.070 -0.216 0.000 2.508 614 H HA 0.173 4.745 4.556 0.027 0.000 0.358 614 H C -1.201 174.037 175.328 -0.150 0.000 1.212 614 H CA -1.432 54.447 56.048 -0.280 0.000 1.356 614 H CB 0.074 29.606 29.762 -0.384 0.000 1.525 614 H HN 0.342 nan 8.280 nan 0.000 0.578 615 P HA -0.183 nan 4.420 nan 0.000 0.218 615 P C 0.990 178.291 177.300 0.000 0.000 1.148 615 P CA 1.623 64.719 63.100 -0.006 0.000 0.822 615 P CB 0.016 31.713 31.700 -0.006 0.000 0.784 616 A N -0.556 122.259 122.820 -0.009 0.000 2.019 616 A HA -0.174 4.162 4.320 0.027 0.000 0.219 616 A C 2.076 179.617 177.584 -0.072 0.000 1.164 616 A CA 1.177 53.175 52.037 -0.064 0.000 0.644 616 A CB -1.589 17.338 19.000 -0.122 0.000 0.805 616 A HN 0.161 nan 8.150 nan 0.000 0.449 617 L N -0.445 120.762 121.223 -0.028 0.000 2.042 617 L HA -0.149 4.208 4.340 0.027 0.000 0.210 617 L C 2.550 179.468 176.870 0.080 0.000 1.076 617 L CA 2.770 57.629 54.840 0.032 0.000 0.749 617 L CB -0.975 41.102 42.059 0.030 0.000 0.893 617 L HN 0.395 nan 8.230 nan 0.000 0.432 618 T N -1.770 112.835 114.554 0.084 0.000 2.867 618 T HA -0.196 4.170 4.350 0.027 0.000 0.268 618 T C 1.809 176.623 174.700 0.190 0.000 1.057 618 T CA 1.392 63.596 62.100 0.174 0.000 1.136 618 T CB -0.156 68.794 68.868 0.136 0.000 0.874 618 T HN 0.484 nan 8.240 nan 0.000 0.466 619 E N 0.990 121.243 120.200 0.089 0.000 2.058 619 E HA -0.013 4.353 4.350 0.027 0.000 0.194 619 E C 2.219 178.829 176.600 0.017 0.000 0.997 619 E CA 1.586 58.037 56.400 0.085 0.000 0.801 619 E CB -0.731 28.981 29.700 0.020 0.000 0.746 619 E HN 0.552 nan 8.360 nan 0.000 0.450 620 A N 0.938 123.659 122.820 -0.165 0.000 1.902 620 A HA -0.244 4.092 4.320 0.027 0.000 0.217 620 A C 2.182 179.645 177.584 -0.202 0.000 1.181 620 A CA 2.001 53.897 52.037 -0.236 0.000 0.623 620 A CB -0.667 18.184 19.000 -0.248 0.000 0.818 620 A HN 0.283 nan 8.150 nan 0.000 0.443 621 K N -1.263 119.100 120.400 -0.062 0.000 2.032 621 K HA -0.287 4.049 4.320 0.027 0.000 0.209 621 K C 2.076 178.571 176.600 -0.175 0.000 1.048 621 K CA 2.005 58.265 56.287 -0.044 0.000 0.927 621 K CB -0.358 32.275 32.500 0.221 0.000 0.712 621 K HN 0.632 nan 8.250 nan 0.000 0.441 622 H N 0.455 119.352 119.070 -0.288 0.000 2.353 622 H HA -0.029 4.543 4.556 0.028 0.000 0.300 622 H C 1.947 176.999 175.328 -0.460 0.000 1.090 622 H CA 1.787 57.471 56.048 -0.608 0.000 1.327 622 H CB 0.098 29.543 29.762 -0.528 0.000 1.383 622 H HN 0.247 nan 8.280 nan 0.000 0.508 623 Q N 0.161 119.700 119.800 -0.436 0.000 2.230 623 Q HA -0.076 4.280 4.340 0.027 0.000 0.202 623 Q C 1.523 176.983 176.000 -0.901 0.000 0.963 623 Q CA 1.086 56.550 55.803 -0.566 0.000 0.866 623 Q CB 0.086 28.630 28.738 -0.322 0.000 0.931 623 Q HN 0.704 nan 8.270 nan 0.000 0.452 624 Q N 0.194 119.423 119.800 -0.952 0.000 2.280 624 Q HA 0.073 4.429 4.340 0.027 0.000 0.202 624 Q C -0.101 175.360 176.000 -0.897 0.000 0.903 624 Q CA -0.206 54.897 55.803 -1.167 0.000 0.948 624 Q CB 0.328 28.399 28.738 -1.112 0.000 1.058 624 Q HN 0.364 nan 8.270 nan 0.000 0.493 625 Q N -0.447 118.976 119.800 -0.629 0.000 2.414 625 Q HA -0.056 4.301 4.340 0.027 0.000 0.288 625 Q C -0.151 175.516 176.000 -0.554 0.000 1.086 625 Q CA 0.411 55.979 55.803 -0.391 0.000 0.943 625 Q CB 0.432 29.022 28.738 -0.246 0.000 1.282 625 Q HN 0.301 nan 8.270 nan 0.000 0.438 626 F N 0.167 119.898 119.950 -0.365 0.000 2.727 626 F HA 0.224 4.767 4.527 0.027 0.000 0.302 626 F C -0.189 175.016 175.800 -0.992 0.000 1.097 626 F CA -0.060 57.477 58.000 -0.770 0.000 1.330 626 F CB 0.477 38.687 39.000 -1.316 0.000 1.084 626 F HN 0.279 nan 8.300 nan 0.000 0.578 627 F N 0.637 120.510 119.950 -0.129 0.000 2.493 627 F HA 0.487 5.031 4.527 0.028 0.000 0.329 627 F C -0.060 175.411 175.800 -0.548 0.000 1.126 627 F CA -1.119 56.699 58.000 -0.304 0.000 0.937 627 F CB 1.249 40.088 39.000 -0.267 0.000 1.146 627 F HN -0.292 nan 8.300 nan 0.000 0.442 628 Q N 3.225 122.763 119.800 -0.436 0.000 2.266 628 Q HA 0.578 4.934 4.340 0.027 0.000 0.261 628 Q C -1.328 174.377 176.000 -0.491 0.000 0.985 628 Q CA -0.610 54.979 55.803 -0.356 0.000 0.873 628 Q CB 2.848 31.496 28.738 -0.150 0.000 1.306 628 Q HN 0.556 nan 8.270 nan 0.000 0.447 629 F N 0.272 120.354 119.950 0.219 0.000 2.563 629 F HA 0.589 5.133 4.527 0.028 0.000 0.316 629 F C 0.364 176.413 175.800 0.414 0.000 1.076 629 F CA -0.829 57.380 58.000 0.348 0.000 0.921 629 F CB 2.070 41.419 39.000 0.582 0.000 1.209 629 F HN 0.161 nan 8.300 nan 0.000 0.462 630 R N 1.458 122.257 120.500 0.498 0.000 2.795 630 R HA 0.757 5.113 4.340 0.027 0.000 0.275 630 R C -2.015 174.337 176.300 0.087 0.000 0.981 630 R CA -1.299 55.020 56.100 0.364 0.000 0.917 630 R CB 2.931 33.343 30.300 0.188 0.000 1.202 630 R HN 0.542 nan 8.270 nan 0.000 0.469 631 L N 0.420 121.574 121.223 -0.115 0.000 2.362 631 L HA 0.533 4.889 4.340 0.027 0.000 0.275 631 L C -1.122 175.602 176.870 -0.243 0.000 0.998 631 L CA 0.006 54.566 54.840 -0.468 0.000 0.820 631 L CB 2.174 43.521 42.059 -1.187 0.000 1.270 631 L HN 0.563 nan 8.230 nan 0.000 0.415 632 S N 3.799 119.378 115.700 -0.202 0.000 2.779 632 S HA 0.740 5.226 4.470 0.027 0.000 0.293 632 S C 0.210 174.725 174.600 -0.141 0.000 1.150 632 S CA 0.329 58.451 58.200 -0.130 0.000 1.057 632 S CB 0.379 63.534 63.200 -0.075 0.000 1.021 632 S HN 1.608 nan 8.310 nan 0.000 0.485 633 G N 4.636 113.356 108.800 -0.134 0.000 2.536 633 G HA2 -0.277 3.699 3.960 0.027 0.000 0.277 633 G HA3 -0.277 3.699 3.960 0.027 0.000 0.277 633 G C -0.175 174.621 174.900 -0.172 0.000 1.155 633 G CA 0.732 45.757 45.100 -0.125 0.000 0.960 633 G HN 1.270 nan 8.290 nan 0.000 0.544 634 Q N 0.041 119.737 119.800 -0.173 0.000 2.182 634 Q HA 0.603 4.959 4.340 0.027 0.000 0.305 634 Q C 0.027 175.893 176.000 -0.223 0.000 0.880 634 Q CA 0.349 56.022 55.803 -0.217 0.000 1.131 634 Q CB 0.075 28.696 28.738 -0.195 0.000 1.237 634 Q HN 0.524 nan 8.270 nan 0.000 0.447 635 T N 1.160 115.590 114.554 -0.206 0.000 2.815 635 T HA 0.611 4.977 4.350 0.027 0.000 0.289 635 T C -0.520 174.068 174.700 -0.187 0.000 1.000 635 T CA -0.403 61.596 62.100 -0.168 0.000 0.958 635 T CB 0.571 69.373 68.868 -0.110 0.000 0.944 635 T HN 0.278 nan 8.240 nan 0.000 0.442 636 I N 3.094 123.565 120.570 -0.165 0.000 2.342 636 I HA 0.310 4.496 4.170 0.027 0.000 0.291 636 I C 0.621 176.752 176.117 0.023 0.000 1.010 636 I CA -0.393 60.840 61.300 -0.111 0.000 1.308 636 I CB 0.987 38.942 38.000 -0.075 0.000 1.400 636 I HN 0.499 nan 8.210 nan 0.000 0.488 637 E N 6.824 127.070 120.200 0.077 0.000 2.113 637 E HA 0.420 4.787 4.350 0.027 0.000 0.273 637 E C -1.551 175.151 176.600 0.169 0.000 0.924 637 E CA -0.608 55.852 56.400 0.100 0.000 0.764 637 E CB 1.452 31.191 29.700 0.065 0.000 1.104 637 E HN 0.371 nan 8.360 nan 0.000 0.406 638 V N 4.122 124.123 119.914 0.144 0.000 2.394 638 V HA 0.334 4.471 4.120 0.027 0.000 0.282 638 V C 0.046 176.169 176.094 0.048 0.000 1.031 638 V CA -0.556 61.792 62.300 0.081 0.000 0.881 638 V CB 1.568 33.483 31.823 0.153 0.000 0.982 638 V HN 0.679 nan 8.190 nan 0.000 0.451 639 T N 3.260 117.798 114.554 -0.026 0.000 2.807 639 T HA 0.381 4.747 4.350 0.027 0.000 0.279 639 T C -0.071 174.614 174.700 -0.025 0.000 0.993 639 T CA -0.305 61.786 62.100 -0.015 0.000 0.970 639 T CB 1.634 70.471 68.868 -0.050 0.000 0.950 639 T HN 0.685 nan 8.240 nan 0.000 0.441 640 S N 1.505 117.195 115.700 -0.016 0.000 2.525 640 S HA 0.241 4.727 4.470 0.027 0.000 0.278 640 S C 0.727 175.183 174.600 -0.240 0.000 1.234 640 S CA -0.599 57.505 58.200 -0.159 0.000 1.058 640 S CB 0.656 63.849 63.200 -0.013 0.000 0.983 640 S HN 0.720 nan 8.310 nan 0.000 0.495 641 E N 2.734 122.682 120.200 -0.419 0.000 2.476 641 E HA 0.097 4.463 4.350 0.027 0.000 0.196 641 E C -0.745 175.655 176.600 -0.333 0.000 1.029 641 E CA -0.096 56.100 56.400 -0.341 0.000 0.896 641 E CB 0.276 29.771 29.700 -0.342 0.000 1.012 641 E HN 0.679 nan 8.360 nan 0.000 0.475 642 Y N 0.426 120.596 120.300 -0.216 0.000 2.397 642 Y HA 0.003 4.569 4.550 0.027 0.000 0.335 642 Y C 1.415 177.142 175.900 -0.288 0.000 1.213 642 Y CA 0.002 57.981 58.100 -0.203 0.000 1.391 642 Y CB 0.767 39.100 38.460 -0.212 0.000 1.293 642 Y HN -0.032 nan 8.280 nan 0.000 0.557 643 L N 1.186 122.239 121.223 -0.282 0.000 2.515 643 L HA 0.070 4.426 4.340 0.027 0.000 0.223 643 L C 0.676 177.055 176.870 -0.818 0.000 1.079 643 L CA 0.528 54.939 54.840 -0.715 0.000 0.857 643 L CB 0.037 41.302 42.059 -1.324 0.000 1.050 643 L HN 0.642 nan 8.230 nan 0.000 0.476 644 F N -0.337 119.630 119.950 0.028 0.000 2.619 644 F HA 0.209 4.751 4.527 0.025 0.000 0.281 644 F C 1.329 177.116 175.800 -0.022 0.000 1.065 644 F CA -0.751 57.239 58.000 -0.016 0.000 1.304 644 F CB 0.279 39.254 39.000 -0.042 0.000 1.059 644 F HN -0.145 nan 8.300 nan 0.000 0.648 645 R N 0.337 120.877 120.500 0.067 0.000 2.573 645 R HA 0.385 4.741 4.340 0.027 0.000 0.272 645 R C -0.558 175.741 176.300 -0.001 0.000 1.009 645 R CA -0.616 55.486 56.100 0.002 0.000 1.059 645 R CB 0.669 30.870 30.300 -0.165 0.000 1.112 645 R HN 0.102 nan 8.270 nan 0.000 0.517 646 H N 0.370 119.439 119.070 -0.002 0.000 2.546 646 H HA 0.050 4.623 4.556 0.027 0.000 0.365 646 H C 0.148 175.505 175.328 0.048 0.000 1.220 646 H CA 0.231 56.306 56.048 0.046 0.000 1.386 646 H CB 1.567 31.358 29.762 0.049 0.000 1.510 646 H HN 0.760 nan 8.280 nan 0.000 0.591 647 S N 0.969 116.819 115.700 0.249 0.000 4.139 647 S HA -0.047 4.439 4.470 0.027 0.000 0.215 647 S C 0.270 174.968 174.600 0.164 0.000 1.390 647 S CA -0.699 57.651 58.200 0.250 0.000 0.885 647 S CB -0.777 62.619 63.200 0.327 0.000 1.560 647 S HN 0.570 nan 8.310 nan 0.000 0.449 648 D N 0.742 121.212 120.400 0.116 0.000 2.370 648 D HA 0.079 4.735 4.640 0.027 0.000 0.230 648 D C 0.295 176.628 176.300 0.055 0.000 1.143 648 D CA -0.310 53.737 54.000 0.078 0.000 0.834 648 D CB -0.355 40.480 40.800 0.057 0.000 0.944 648 D HN 0.489 nan 8.370 nan 0.000 0.504 649 N N 0.092 118.832 118.700 0.067 0.000 2.605 649 N HA 0.127 4.883 4.740 0.027 0.000 0.265 649 N C -1.581 173.972 175.510 0.072 0.000 1.625 649 N CA -0.163 52.919 53.050 0.054 0.000 0.862 649 N CB 0.281 38.792 38.487 0.039 0.000 1.415 649 N HN -0.036 nan 8.380 nan 0.000 0.513 650 E N -0.114 120.122 120.200 0.061 0.000 2.335 650 E HA 0.539 4.905 4.350 0.027 0.000 0.280 650 E C -1.509 175.104 176.600 0.022 0.000 0.918 650 E CA -0.736 55.683 56.400 0.031 0.000 0.765 650 E CB 2.037 31.722 29.700 -0.026 0.000 1.218 650 E HN 0.264 nan 8.360 nan 0.000 0.425 651 L N 0.017 121.251 121.223 0.018 0.000 2.393 651 L HA 0.748 5.104 4.340 0.027 0.000 0.260 651 L C -1.668 175.245 176.870 0.071 0.000 1.002 651 L CA -1.008 53.872 54.840 0.067 0.000 0.818 651 L CB 1.173 43.301 42.059 0.116 0.000 1.369 651 L HN 0.512 nan 8.230 nan 0.000 0.412 652 L N 2.562 123.877 121.223 0.154 0.000 2.272 652 L HA 0.612 4.969 4.340 0.027 0.000 0.289 652 L C -0.957 176.129 176.870 0.360 0.000 1.032 652 L CA 0.170 55.137 54.840 0.212 0.000 0.810 652 L CB 0.412 42.609 42.059 0.229 0.000 1.205 652 L HN 0.621 nan 8.230 nan 0.000 0.422 653 H N 5.267 124.424 119.070 0.145 0.000 2.488 653 H HA 0.483 5.055 4.556 0.027 0.000 0.322 653 H C -0.984 174.455 175.328 0.185 0.000 1.078 653 H CA -0.707 55.394 56.048 0.088 0.000 1.260 653 H CB 0.763 30.528 29.762 0.005 0.000 1.425 653 H HN 0.637 nan 8.280 nan 0.000 0.471 654 W N 3.712 125.103 121.300 0.151 0.000 2.844 654 W HA 0.640 5.316 4.660 0.027 0.000 0.340 654 W C -1.706 174.859 176.519 0.076 0.000 1.093 654 W CA -1.255 56.157 57.345 0.111 0.000 1.212 654 W CB 1.645 31.158 29.460 0.088 0.000 1.422 654 W HN 0.504 nan 8.180 nan 0.000 0.515 655 M N 3.346 123.171 119.600 0.375 0.000 2.365 655 M HA 0.563 5.059 4.480 0.027 0.000 0.287 655 M C -2.478 174.027 176.300 0.341 0.000 1.154 655 M CA -0.784 54.627 55.300 0.185 0.000 0.941 655 M CB 1.949 34.569 32.600 0.034 0.000 1.704 655 M HN 0.220 nan 8.290 nan 0.000 0.479 656 V N 3.876 123.976 119.914 0.309 0.000 2.448 656 V HA 1.012 5.148 4.120 0.027 0.000 0.295 656 V C -0.451 175.753 176.094 0.182 0.000 1.025 656 V CA -0.269 62.201 62.300 0.284 0.000 0.859 656 V CB 1.146 33.151 31.823 0.305 0.000 0.988 656 V HN 1.065 nan 8.190 nan 0.000 0.431 657 A N 4.521 127.458 122.820 0.194 0.000 2.475 657 A HA 0.901 5.238 4.320 0.027 0.000 0.301 657 A C -1.485 176.215 177.584 0.192 0.000 1.059 657 A CA -0.633 51.485 52.037 0.135 0.000 0.710 657 A CB 1.763 20.798 19.000 0.057 0.000 1.288 657 A HN 0.826 nan 8.150 nan 0.000 0.408 658 L N 1.509 122.815 121.223 0.138 0.000 2.276 658 L HA 0.526 4.882 4.340 0.027 0.000 0.286 658 L C -0.544 176.417 176.870 0.153 0.000 1.024 658 L CA 0.262 55.196 54.840 0.157 0.000 0.826 658 L CB 0.406 42.526 42.059 0.102 0.000 1.211 658 L HN 0.766 nan 8.230 nan 0.000 0.422 659 D N 4.673 125.228 120.400 0.258 0.000 2.702 659 D HA -0.217 4.440 4.640 0.027 0.000 0.233 659 D C 1.189 177.516 176.300 0.045 0.000 1.164 659 D CA 1.517 55.658 54.000 0.234 0.000 0.638 659 D CB -1.115 39.796 40.800 0.184 0.000 1.041 659 D HN 1.176 nan 8.370 nan 0.000 0.422 660 G N -0.839 107.948 108.800 -0.023 0.000 2.205 660 G HA2 -0.380 3.596 3.960 0.027 0.000 0.261 660 G HA3 -0.380 3.596 3.960 0.027 0.000 0.261 660 G C 0.249 175.063 174.900 -0.145 0.000 0.980 660 G CA 0.548 45.521 45.100 -0.212 0.000 0.632 660 G HN 0.493 nan 8.290 nan 0.000 0.533 661 K N 1.856 122.224 120.400 -0.053 0.000 2.267 661 K HA 0.451 4.787 4.320 0.027 0.000 0.282 661 K C -2.627 173.963 176.600 -0.016 0.000 1.078 661 K CA -1.863 54.399 56.287 -0.040 0.000 0.903 661 K CB 1.594 34.088 32.500 -0.009 0.000 1.111 661 K HN 0.058 nan 8.250 nan 0.000 0.475 662 P HA 0.015 nan 4.420 nan 0.000 0.271 662 P C 0.078 177.375 177.300 -0.005 0.000 1.226 662 P CA 0.038 63.121 63.100 -0.028 0.000 0.765 662 P CB 0.712 32.373 31.700 -0.065 0.000 0.835 663 L N 1.605 122.844 121.223 0.027 0.000 2.537 663 L HA 0.451 4.807 4.340 0.027 0.000 0.224 663 L C 0.861 177.754 176.870 0.038 0.000 1.065 663 L CA 0.500 55.364 54.840 0.041 0.000 0.860 663 L CB 0.200 42.306 42.059 0.077 0.000 1.086 663 L HN 0.438 nan 8.230 nan 0.000 0.482 664 A N -0.594 122.246 122.820 0.033 0.000 2.569 664 A HA 0.573 4.910 4.320 0.027 0.000 0.292 664 A C -0.952 176.504 177.584 -0.213 0.000 1.032 664 A CA 0.058 52.083 52.037 -0.021 0.000 0.669 664 A CB 1.178 20.279 19.000 0.168 0.000 1.290 664 A HN 0.070 nan 8.150 nan 0.000 0.422 665 S N -0.785 114.554 115.700 -0.602 0.000 2.615 665 S HA 0.982 5.468 4.470 0.027 0.000 0.269 665 S C -0.172 173.439 174.600 -1.648 0.000 1.161 665 S CA -0.056 57.393 58.200 -1.253 0.000 0.817 665 S CB 1.070 63.890 63.200 -0.633 0.000 1.131 665 S HN 2.650 nan 8.310 nan 0.000 0.467 666 G N -0.501 107.027 108.800 -2.119 0.000 2.548 666 G HA2 0.637 4.613 3.960 0.027 0.000 0.301 666 G HA3 0.637 4.613 3.960 0.027 0.000 0.301 666 G C -2.223 172.287 174.900 -0.650 0.000 1.349 666 G CA -0.664 43.743 45.100 -1.154 0.000 0.792 666 G HN 0.800 nan 8.290 nan 0.000 0.481 667 E N -1.365 118.777 120.200 -0.097 0.000 2.331 667 E HA 0.609 4.975 4.350 0.027 0.000 0.275 667 E C -1.531 175.201 176.600 0.221 0.000 0.895 667 E CA -0.658 55.793 56.400 0.084 0.000 0.753 667 E CB 3.162 32.837 29.700 -0.042 0.000 1.216 667 E HN 0.334 nan 8.360 nan 0.000 0.434 668 V N 3.695 123.762 119.914 0.254 0.000 2.733 668 V HA 0.381 4.518 4.120 0.027 0.000 0.306 668 V C -2.441 173.747 176.094 0.156 0.000 1.084 668 V CA -1.889 60.528 62.300 0.195 0.000 0.905 668 V CB 1.881 33.828 31.823 0.208 0.000 1.010 668 V HN 0.596 nan 8.190 nan 0.000 0.424 669 P HA 0.267 nan 4.420 nan 0.000 0.269 669 P C -0.894 176.462 177.300 0.093 0.000 1.209 669 P CA -0.005 63.154 63.100 0.098 0.000 0.776 669 P CB 0.669 32.417 31.700 0.080 0.000 0.876 670 L N 2.488 123.757 121.223 0.077 0.000 2.307 670 L HA 0.417 4.773 4.340 0.027 0.000 0.284 670 L C 0.201 177.130 176.870 0.098 0.000 1.023 670 L CA -0.192 54.691 54.840 0.072 0.000 0.810 670 L CB 1.438 43.499 42.059 0.003 0.000 1.231 670 L HN 0.291 nan 8.230 nan 0.000 0.423 671 D N 2.975 123.448 120.400 0.122 0.000 2.468 671 D HA 0.316 4.972 4.640 0.027 0.000 0.272 671 D C -1.296 175.119 176.300 0.192 0.000 1.221 671 D CA -0.134 53.962 54.000 0.160 0.000 0.860 671 D CB 1.115 41.992 40.800 0.129 0.000 1.190 671 D HN 0.041 nan 8.370 nan 0.000 0.509 672 V N 1.754 121.794 119.914 0.209 0.000 2.384 672 V HA 0.811 4.947 4.120 0.027 0.000 0.287 672 V C 0.910 176.990 176.094 -0.023 0.000 1.020 672 V CA -1.126 61.266 62.300 0.152 0.000 0.850 672 V CB 1.120 33.082 31.823 0.231 0.000 0.987 672 V HN 0.548 nan 8.190 nan 0.000 0.436 673 A N 7.407 130.086 122.820 -0.235 0.000 2.346 673 A HA 0.685 5.021 4.320 0.027 0.000 0.252 673 A C -2.262 175.104 177.584 -0.363 0.000 1.089 673 A CA -1.412 50.105 52.037 -0.867 0.000 0.797 673 A CB -0.163 18.489 19.000 -0.580 0.000 1.047 673 A HN 0.669 nan 8.150 nan 0.000 0.494 674 P HA 0.031 nan 4.420 nan 0.000 0.264 674 P C -0.480 176.741 177.300 -0.131 0.000 1.193 674 P CA 0.588 63.602 63.100 -0.144 0.000 0.763 674 P CB 0.650 32.273 31.700 -0.128 0.000 0.810 675 Q N -1.030 118.703 119.800 -0.111 0.000 2.305 675 Q HA -0.165 4.191 4.340 0.027 0.000 0.203 675 Q C 0.762 176.721 176.000 -0.068 0.000 0.663 675 Q CA 1.898 57.642 55.803 -0.099 0.000 1.389 675 Q CB -2.548 26.129 28.738 -0.101 0.000 1.566 675 Q HN 0.753 nan 8.270 nan 0.000 0.755 676 G N 0.117 108.880 108.800 -0.061 0.000 2.557 676 G HA2 0.573 4.549 3.960 0.027 0.000 0.302 676 G HA3 0.573 4.549 3.960 0.027 0.000 0.302 676 G C -0.230 174.672 174.900 0.003 0.000 1.311 676 G CA -0.567 44.516 45.100 -0.028 0.000 1.030 676 G HN -0.004 nan 8.290 nan 0.000 0.509 677 K N -0.900 119.512 120.400 0.021 0.000 2.350 677 K HA 0.528 4.864 4.320 0.027 0.000 0.241 677 K C -0.882 175.753 176.600 0.059 0.000 0.994 677 K CA -0.639 55.672 56.287 0.040 0.000 0.839 677 K CB 2.394 34.911 32.500 0.029 0.000 1.244 677 K HN 0.536 nan 8.250 nan 0.000 0.443 678 Q N 1.935 121.778 119.800 0.072 0.000 2.315 678 Q HA 0.410 4.766 4.340 0.027 0.000 0.273 678 Q C -1.777 174.264 176.000 0.068 0.000 1.053 678 Q CA -0.643 55.206 55.803 0.077 0.000 0.817 678 Q CB 1.458 30.255 28.738 0.098 0.000 1.326 678 Q HN 0.512 nan 8.270 nan 0.000 0.423 679 L N 4.742 125.995 121.223 0.050 0.000 2.307 679 L HA 0.611 4.967 4.340 0.027 0.000 0.284 679 L C -0.569 176.314 176.870 0.022 0.000 1.023 679 L CA -0.769 54.089 54.840 0.031 0.000 0.810 679 L CB 1.531 43.597 42.059 0.012 0.000 1.231 679 L HN 0.611 nan 8.230 nan 0.000 0.423 680 I N 2.776 123.348 120.570 0.004 0.000 2.447 680 I HA 0.265 4.451 4.170 0.027 0.000 0.287 680 I C -0.261 175.809 176.117 -0.079 0.000 1.023 680 I CA -0.443 60.846 61.300 -0.017 0.000 1.083 680 I CB 2.305 40.308 38.000 0.006 0.000 1.245 680 I HN 0.607 nan 8.210 nan 0.000 0.434 681 E N 7.314 127.466 120.200 -0.081 0.000 2.146 681 E HA 0.421 4.788 4.350 0.027 0.000 0.282 681 E C -1.053 175.433 176.600 -0.190 0.000 0.989 681 E CA -0.622 55.706 56.400 -0.121 0.000 0.799 681 E CB 1.282 30.934 29.700 -0.080 0.000 1.088 681 E HN 0.501 nan 8.360 nan 0.000 0.397 682 L N 5.486 126.537 121.223 -0.286 0.000 2.453 682 L HA 0.331 4.687 4.340 0.027 0.000 0.261 682 L C -1.940 174.776 176.870 -0.257 0.000 1.179 682 L CA -1.910 52.674 54.840 -0.427 0.000 0.813 682 L CB 0.216 41.874 42.059 -0.668 0.000 1.110 682 L HN 0.425 nan 8.230 nan 0.000 0.466 683 P HA 0.021 nan 4.420 nan 0.000 0.274 683 P C -0.922 176.337 177.300 -0.069 0.000 1.246 683 P CA -0.600 62.454 63.100 -0.076 0.000 0.795 683 P CB 0.329 32.055 31.700 0.043 0.000 1.006 684 E N 1.616 121.802 120.200 -0.023 0.000 2.694 684 E HA -0.046 4.321 4.350 0.027 0.000 0.250 684 E C -0.907 175.696 176.600 0.005 0.000 0.963 684 E CA -0.065 56.327 56.400 -0.014 0.000 0.949 684 E CB -0.433 29.270 29.700 0.004 0.000 0.911 684 E HN 0.215 nan 8.360 nan 0.000 0.500 685 L N 6.640 127.858 121.223 -0.008 0.000 2.268 685 L HA 0.373 4.729 4.340 0.027 0.000 0.289 685 L C -1.930 174.958 176.870 0.030 0.000 1.064 685 L CA -2.052 52.802 54.840 0.023 0.000 0.824 685 L CB 0.245 42.332 42.059 0.047 0.000 1.202 685 L HN 0.513 nan 8.230 nan 0.000 0.433 686 P HA -0.060 nan 4.420 nan 0.000 0.271 686 P C -0.565 176.753 177.300 0.030 0.000 1.212 686 P CA -0.232 62.889 63.100 0.036 0.000 0.788 686 P CB 0.460 32.186 31.700 0.043 0.000 0.865 687 Q N 1.765 121.578 119.800 0.023 0.000 2.286 687 Q HA 0.302 4.658 4.340 0.027 0.000 0.257 687 Q C -1.957 174.058 176.000 0.025 0.000 0.941 687 Q CA -1.532 54.284 55.803 0.020 0.000 0.912 687 Q CB -0.261 28.485 28.738 0.014 0.000 1.192 687 Q HN 0.311 nan 8.270 nan 0.000 0.410 688 P HA -0.012 nan 4.420 nan 0.000 0.268 688 P C -0.414 176.903 177.300 0.028 0.000 1.204 688 P CA 0.100 63.220 63.100 0.033 0.000 0.768 688 P CB 0.789 32.511 31.700 0.037 0.000 0.842 689 E N 0.563 120.780 120.200 0.029 0.000 2.455 689 E HA -0.050 4.316 4.350 0.027 0.000 0.202 689 E C 0.596 177.212 176.600 0.027 0.000 1.045 689 E CA 0.847 57.263 56.400 0.025 0.000 0.872 689 E CB 0.010 29.723 29.700 0.023 0.000 0.792 689 E HN 0.705 nan 8.360 nan 0.000 0.542 690 S N -1.640 114.079 115.700 0.031 0.000 2.631 690 S HA 0.402 4.889 4.470 0.027 0.000 0.267 690 S C -0.759 173.864 174.600 0.038 0.000 1.096 690 S CA -0.559 57.660 58.200 0.033 0.000 0.911 690 S CB 0.570 63.791 63.200 0.035 0.000 1.175 690 S HN 0.122 nan 8.310 nan 0.000 0.478 691 A N 0.109 122.954 122.820 0.041 0.000 2.507 691 A HA 0.688 5.024 4.320 0.027 0.000 0.235 691 A C 1.132 178.751 177.584 0.058 0.000 1.070 691 A CA 0.853 52.916 52.037 0.045 0.000 0.768 691 A CB -1.007 18.021 19.000 0.047 0.000 1.011 691 A HN 2.690 nan 8.150 nan 0.000 0.502 692 G N -0.381 108.453 108.800 0.058 0.000 2.347 692 G HA2 0.413 4.389 3.960 0.027 0.000 0.341 692 G HA3 0.413 4.389 3.960 0.027 0.000 0.341 692 G C -0.996 173.942 174.900 0.063 0.000 1.287 692 G CA -0.116 45.032 45.100 0.080 0.000 0.984 692 G HN 1.211 nan 8.290 nan 0.000 0.526 693 Q N -0.153 119.706 119.800 0.099 0.000 2.314 693 Q HA 0.724 5.080 4.340 0.027 0.000 0.259 693 Q C -0.296 175.770 176.000 0.110 0.000 0.951 693 Q CA -0.516 55.306 55.803 0.030 0.000 0.909 693 Q CB 1.167 29.886 28.738 -0.032 0.000 1.236 693 Q HN 0.574 nan 8.270 nan 0.000 0.444 694 L N 4.388 125.607 121.223 -0.007 0.000 2.326 694 L HA 0.484 4.840 4.340 0.027 0.000 0.278 694 L C -0.837 176.051 176.870 0.031 0.000 1.092 694 L CA -0.415 54.475 54.840 0.084 0.000 0.810 694 L CB 0.753 42.838 42.059 0.043 0.000 1.153 694 L HN 0.699 nan 8.230 nan 0.000 0.439 695 W N 4.152 125.520 121.300 0.112 0.000 2.785 695 W HA 0.493 5.169 4.660 0.027 0.000 0.333 695 W C -0.827 175.801 176.519 0.182 0.000 1.062 695 W CA -0.532 56.902 57.345 0.149 0.000 1.233 695 W CB 1.757 31.328 29.460 0.185 0.000 1.413 695 W HN 0.118 nan 8.180 nan 0.000 0.489 696 L N 3.210 124.725 121.223 0.487 0.000 2.307 696 L HA 0.772 5.128 4.340 0.027 0.000 0.284 696 L C -0.342 176.837 176.870 0.515 0.000 1.023 696 L CA 0.109 55.215 54.840 0.443 0.000 0.810 696 L CB 1.405 43.691 42.059 0.378 0.000 1.231 696 L HN 0.328 nan 8.230 nan 0.000 0.423 697 T N 5.019 119.817 114.554 0.407 0.000 2.848 697 T HA 0.670 5.037 4.350 0.027 0.000 0.285 697 T C -0.713 174.174 174.700 0.312 0.000 0.995 697 T CA -0.439 61.855 62.100 0.323 0.000 0.970 697 T CB 1.531 70.525 68.868 0.209 0.000 0.976 697 T HN 0.617 nan 8.240 nan 0.000 0.441 698 V N 1.491 121.556 119.914 0.252 0.000 2.864 698 V HA 0.869 5.005 4.120 0.027 0.000 0.314 698 V C -0.780 175.387 176.094 0.122 0.000 1.073 698 V CA -1.189 61.229 62.300 0.196 0.000 0.956 698 V CB 2.054 33.954 31.823 0.128 0.000 1.023 698 V HN 0.831 nan 8.190 nan 0.000 0.435 699 R N 1.614 122.204 120.500 0.149 0.000 2.604 699 R HA 0.726 5.082 4.340 0.027 0.000 0.281 699 R C -1.689 174.684 176.300 0.122 0.000 1.020 699 R CA -0.700 55.496 56.100 0.159 0.000 0.899 699 R CB 2.672 33.031 30.300 0.098 0.000 1.205 699 R HN 0.715 nan 8.270 nan 0.000 0.450 700 V N 3.639 123.659 119.914 0.176 0.000 2.432 700 V HA 0.352 4.488 4.120 0.027 0.000 0.275 700 V C -0.190 175.920 176.094 0.027 0.000 1.043 700 V CA -0.512 61.841 62.300 0.089 0.000 0.925 700 V CB 1.514 33.382 31.823 0.076 0.000 0.985 700 V HN 0.420 nan 8.190 nan 0.000 0.466 701 V N 5.198 125.066 119.914 -0.077 0.000 2.604 701 V HA 0.393 4.530 4.120 0.027 0.000 0.305 701 V C -0.241 175.838 176.094 -0.026 0.000 1.043 701 V CA -0.720 61.511 62.300 -0.114 0.000 0.888 701 V CB 2.028 33.625 31.823 -0.377 0.000 0.995 701 V HN 0.896 nan 8.190 nan 0.000 0.429 702 Q N 5.948 125.771 119.800 0.040 0.000 2.360 702 Q HA 0.282 4.638 4.340 0.027 0.000 0.254 702 Q C -1.716 174.296 176.000 0.020 0.000 0.975 702 Q CA -1.761 54.078 55.803 0.059 0.000 0.912 702 Q CB 2.027 30.830 28.738 0.110 0.000 1.212 702 Q HN 0.479 nan 8.270 nan 0.000 0.452 703 P HA -0.126 nan 4.420 nan 0.000 0.220 703 P C -0.516 176.784 177.300 0.000 0.000 1.152 703 P CA 0.953 64.062 63.100 0.015 0.000 0.812 703 P CB 0.428 32.147 31.700 0.032 0.000 0.792 704 N N -0.363 118.329 118.700 -0.012 0.000 2.487 704 N HA 0.442 5.199 4.740 0.027 0.000 0.292 704 N C -0.245 175.216 175.510 -0.081 0.000 1.108 704 N CA -0.664 52.365 53.050 -0.036 0.000 0.956 704 N CB 1.008 39.477 38.487 -0.030 0.000 1.176 704 N HN -0.034 nan 8.380 nan 0.000 0.484 705 A N 0.766 123.531 122.820 -0.091 0.000 2.425 705 A HA 0.435 4.771 4.320 0.027 0.000 0.242 705 A C 0.596 178.056 177.584 -0.206 0.000 1.077 705 A CA -0.089 51.857 52.037 -0.152 0.000 0.781 705 A CB 0.010 18.944 19.000 -0.110 0.000 1.020 705 A HN 0.703 nan 8.150 nan 0.000 0.494 706 T N -2.694 111.645 114.554 -0.359 0.000 2.807 706 T HA 0.629 4.995 4.350 0.027 0.000 0.277 706 T C 1.022 175.547 174.700 -0.291 0.000 1.006 706 T CA 0.027 61.891 62.100 -0.393 0.000 1.006 706 T CB 1.125 69.502 68.868 -0.818 0.000 1.274 706 T HN 1.304 nan 8.240 nan 0.000 0.569 707 A N -0.141 122.593 122.820 -0.143 0.000 2.121 707 A HA 0.108 4.445 4.320 0.027 0.000 0.218 707 A C 1.629 179.317 177.584 0.174 0.000 1.154 707 A CA 0.970 53.036 52.037 0.048 0.000 0.679 707 A CB -0.871 18.213 19.000 0.139 0.000 0.795 707 A HN 0.913 nan 8.150 nan 0.000 0.458 708 W N -0.692 120.670 121.300 0.104 0.000 2.870 708 W HA 0.425 5.102 4.660 0.029 0.000 0.358 708 W C -0.228 176.252 176.519 -0.064 0.000 1.043 708 W CA 0.455 57.827 57.345 0.045 0.000 1.692 708 W CB -1.023 28.454 29.460 0.027 0.000 1.100 708 W HN 0.401 nan 8.180 nan 0.000 0.557 709 S N 0.012 115.268 115.700 -0.739 0.000 2.570 709 S HA 0.410 4.896 4.470 0.027 0.000 0.270 709 S C -0.678 173.694 174.600 -0.380 0.000 1.149 709 S CA -0.733 57.078 58.200 -0.648 0.000 0.837 709 S CB 2.766 65.208 63.200 -1.263 0.000 1.124 709 S HN 0.041 nan 8.310 nan 0.000 0.465 710 E N 0.679 120.769 120.200 -0.184 0.000 2.345 710 E HA 0.543 4.910 4.350 0.027 0.000 0.259 710 E C 0.434 176.994 176.600 -0.066 0.000 1.117 710 E CA -0.507 55.839 56.400 -0.090 0.000 0.913 710 E CB 1.278 30.970 29.700 -0.013 0.000 1.057 710 E HN 0.890 nan 8.360 nan 0.000 0.432 711 A N -0.010 122.783 122.820 -0.045 0.000 2.483 711 A HA 0.403 4.739 4.320 0.027 0.000 0.238 711 A C 1.142 178.732 177.584 0.010 0.000 1.070 711 A CA 0.825 52.847 52.037 -0.024 0.000 0.770 711 A CB -0.237 18.753 19.000 -0.016 0.000 1.008 711 A HN 0.748 nan 8.150 nan 0.000 0.497 712 G N 0.157 108.968 108.800 0.019 0.000 2.195 712 G HA2 -0.244 3.732 3.960 0.027 0.000 0.246 712 G HA3 -0.244 3.732 3.960 0.027 0.000 0.246 712 G C 0.281 175.199 174.900 0.031 0.000 0.984 712 G CA 0.670 45.781 45.100 0.017 0.000 0.633 712 G HN 1.696 nan 8.290 nan 0.000 0.525 713 H N 0.806 119.863 119.070 -0.022 0.000 3.034 713 H HA 0.451 5.023 4.556 0.027 0.000 0.324 713 H C 0.657 176.024 175.328 0.065 0.000 1.015 713 H CA 0.438 56.499 56.048 0.022 0.000 1.429 713 H CB 0.162 29.920 29.762 -0.006 0.000 1.429 713 H HN 0.300 nan 8.280 nan 0.000 0.585 714 I N 4.659 124.960 120.570 -0.449 0.000 2.315 714 I HA 0.041 4.228 4.170 0.027 0.000 0.291 714 I C 0.829 176.792 176.117 -0.256 0.000 1.006 714 I CA -0.007 61.158 61.300 -0.225 0.000 1.265 714 I CB 1.495 39.420 38.000 -0.125 0.000 1.387 714 I HN 0.784 nan 8.210 nan 0.000 0.475 715 S N 4.241 119.999 115.700 0.096 0.000 2.511 715 S HA 0.558 5.044 4.470 0.027 0.000 0.214 715 S C 0.425 175.282 174.600 0.428 0.000 0.997 715 S CA -0.079 58.324 58.200 0.337 0.000 0.908 715 S CB 0.569 64.082 63.200 0.522 0.000 0.803 715 S HN 0.691 nan 8.310 nan 0.000 0.504 716 A N 0.521 123.618 122.820 0.462 0.000 2.608 716 A HA 0.669 5.005 4.320 0.027 0.000 0.292 716 A C -1.781 176.149 177.584 0.577 0.000 1.066 716 A CA -0.918 51.388 52.037 0.447 0.000 0.676 716 A CB 0.409 19.730 19.000 0.536 0.000 1.277 716 A HN 0.909 nan 8.150 nan 0.000 0.413 717 W N -0.204 121.263 121.300 0.278 0.000 3.005 717 W HA 0.823 5.500 4.660 0.028 0.000 0.343 717 W C -1.182 175.370 176.519 0.055 0.000 1.243 717 W CA -0.647 56.747 57.345 0.082 0.000 1.186 717 W CB 1.233 30.709 29.460 0.026 0.000 1.453 717 W HN 0.987 nan 8.180 nan 0.000 0.575 718 Q N 1.004 120.823 119.800 0.032 0.000 2.594 718 Q HA 0.408 4.764 4.340 0.027 0.000 0.278 718 Q C -1.614 174.216 176.000 -0.284 0.000 0.961 718 Q CA -0.461 55.200 55.803 -0.236 0.000 0.844 718 Q CB 2.380 30.756 28.738 -0.602 0.000 1.475 718 Q HN 0.627 nan 8.270 nan 0.000 0.389 719 Q N 1.332 120.915 119.800 -0.361 0.000 2.451 719 Q HA 0.660 5.016 4.340 0.027 0.000 0.281 719 Q C -1.152 174.771 176.000 -0.127 0.000 1.099 719 Q CA -0.694 55.108 55.803 -0.002 0.000 0.806 719 Q CB 2.424 31.335 28.738 0.289 0.000 1.419 719 Q HN 0.611 nan 8.270 nan 0.000 0.427 720 W N 0.751 122.231 121.300 0.300 0.000 3.107 720 W HA 0.468 5.144 4.660 0.027 0.000 0.331 720 W C -0.394 176.069 176.519 -0.094 0.000 1.204 720 W CA -0.748 56.669 57.345 0.119 0.000 1.184 720 W CB 1.712 31.197 29.460 0.042 0.000 1.421 720 W HN 0.391 nan 8.180 nan 0.000 0.544 721 R N 1.676 122.044 120.500 -0.220 0.000 2.340 721 R HA 0.418 4.775 4.340 0.027 0.000 0.300 721 R C 0.555 176.700 176.300 -0.259 0.000 1.069 721 R CA -0.105 55.574 56.100 -0.701 0.000 0.984 721 R CB 1.014 30.862 30.300 -0.753 0.000 1.003 721 R HN 0.314 nan 8.270 nan 0.000 0.459 722 L N 1.474 122.567 121.223 -0.217 0.000 2.718 722 L HA 0.502 4.858 4.340 0.027 0.000 0.166 722 L C 0.723 177.519 176.870 -0.123 0.000 1.893 722 L CA -0.847 53.929 54.840 -0.107 0.000 2.845 722 L CB -0.181 41.857 42.059 -0.035 0.000 2.993 722 L HN 0.596 nan 8.230 nan 0.000 0.684 723 A N 0.166 122.939 122.820 -0.078 0.000 2.366 723 A HA 0.233 4.569 4.320 0.027 0.000 0.249 723 A C -0.327 177.210 177.584 -0.080 0.000 1.084 723 A CA 0.106 52.102 52.037 -0.070 0.000 0.794 723 A CB 0.294 19.271 19.000 -0.039 0.000 1.034 723 A HN 0.608 nan 8.150 nan 0.000 0.491 724 E N 0.741 120.900 120.200 -0.067 0.000 2.224 724 E HA 0.286 4.652 4.350 0.027 0.000 0.265 724 E C -1.444 175.143 176.600 -0.022 0.000 0.878 724 E CA -0.673 55.695 56.400 -0.054 0.000 0.759 724 E CB 0.828 30.486 29.700 -0.070 0.000 1.164 724 E HN 0.665 nan 8.360 nan 0.000 0.414 725 N N 5.227 123.926 118.700 -0.002 0.000 2.501 725 N HA 0.262 5.018 4.740 0.027 0.000 0.245 725 N C -0.520 175.001 175.510 0.018 0.000 0.974 725 N CA -0.300 52.755 53.050 0.009 0.000 0.941 725 N CB 1.087 39.584 38.487 0.016 0.000 1.122 725 N HN 0.486 nan 8.380 nan 0.000 0.507 726 L N 0.743 121.975 121.223 0.016 0.000 2.456 726 L HA 0.111 4.468 4.340 0.027 0.000 0.272 726 L C 1.283 178.171 176.870 0.030 0.000 1.189 726 L CA 0.057 54.912 54.840 0.025 0.000 0.846 726 L CB 0.517 42.590 42.059 0.022 0.000 1.111 726 L HN 0.348 nan 8.230 nan 0.000 0.475 727 S N 1.435 117.158 115.700 0.039 0.000 2.505 727 S HA 0.234 4.721 4.470 0.027 0.000 0.276 727 S C 0.527 175.148 174.600 0.036 0.000 1.274 727 S CA -0.704 57.520 58.200 0.040 0.000 1.053 727 S CB 0.774 64.003 63.200 0.049 0.000 0.919 727 S HN 0.483 nan 8.310 nan 0.000 0.490 728 V N 2.513 122.445 119.914 0.031 0.000 3.253 728 V HA 0.395 4.531 4.120 0.027 0.000 0.320 728 V C 0.507 176.618 176.094 0.028 0.000 1.442 728 V CA 0.177 62.493 62.300 0.028 0.000 1.097 728 V CB -0.232 31.604 31.823 0.023 0.000 1.008 728 V HN 0.815 nan 8.190 nan 0.000 0.463 729 T N 1.749 116.322 114.554 0.031 0.000 2.799 729 T HA 0.692 5.059 4.350 0.027 0.000 0.286 729 T C -0.160 174.560 174.700 0.032 0.000 0.973 729 T CA -0.531 61.587 62.100 0.030 0.000 1.035 729 T CB 1.168 70.054 68.868 0.030 0.000 0.932 729 T HN 0.634 nan 8.240 nan 0.000 0.469 730 L N 2.788 124.028 121.223 0.029 0.000 2.397 730 L HA 0.619 4.975 4.340 0.027 0.000 0.271 730 L C -2.280 174.609 176.870 0.031 0.000 1.148 730 L CA -1.831 53.026 54.840 0.029 0.000 0.825 730 L CB -1.020 41.054 42.059 0.026 0.000 1.117 730 L HN 0.362 nan 8.230 nan 0.000 0.456 731 P HA 0.267 nan 4.420 nan 0.000 0.271 731 P C -0.396 176.923 177.300 0.031 0.000 1.226 731 P CA -0.165 62.954 63.100 0.031 0.000 0.765 731 P CB 0.939 32.655 31.700 0.028 0.000 0.835 732 A N 3.600 126.443 122.820 0.037 0.000 2.524 732 A HA 0.407 4.743 4.320 0.027 0.000 0.250 732 A C 0.769 178.378 177.584 0.042 0.000 1.078 732 A CA -0.093 51.974 52.037 0.050 0.000 0.761 732 A CB -0.350 18.692 19.000 0.070 0.000 1.012 732 A HN 0.662 nan 8.150 nan 0.000 0.500 733 A N 3.977 126.828 122.820 0.052 0.000 2.522 733 A HA 0.462 4.798 4.320 0.027 0.000 0.256 733 A C 1.076 178.686 177.584 0.042 0.000 1.086 733 A CA 0.315 52.377 52.037 0.042 0.000 0.763 733 A CB -0.679 18.350 19.000 0.048 0.000 1.024 733 A HN 2.051 nan 8.150 nan 0.000 0.502 734 S N 2.445 118.131 115.700 -0.024 0.000 2.643 734 S HA -0.101 4.386 4.470 0.027 0.000 0.310 734 S C 0.385 174.975 174.600 -0.017 0.000 1.253 734 S CA 1.024 59.167 58.200 -0.095 0.000 1.047 734 S CB -0.368 62.795 63.200 -0.062 0.000 0.767 734 S HN 0.808 nan 8.310 nan 0.000 0.498 735 H N 1.126 120.212 119.070 0.026 0.000 2.533 735 H HA 0.616 5.188 4.556 0.027 0.000 0.271 735 H C 0.577 175.919 175.328 0.023 0.000 1.000 735 H CA 0.085 56.146 56.048 0.022 0.000 1.149 735 H CB -0.068 29.705 29.762 0.019 0.000 1.375 735 H HN 0.858 nan 8.280 nan 0.000 0.582 736 A N 1.084 123.936 122.820 0.054 0.000 2.588 736 A HA 0.648 4.984 4.320 0.027 0.000 0.290 736 A C -1.704 175.900 177.584 0.033 0.000 1.136 736 A CA -0.842 51.223 52.037 0.047 0.000 0.681 736 A CB 1.447 20.476 19.000 0.047 0.000 1.282 736 A HN 0.252 nan 8.150 nan 0.000 0.421 737 I N 0.469 121.066 120.570 0.045 0.000 2.586 737 I HA 0.581 4.767 4.170 0.027 0.000 0.288 737 I C -2.748 173.409 176.117 0.067 0.000 1.147 737 I CA -2.000 59.324 61.300 0.041 0.000 1.047 737 I CB 2.283 40.299 38.000 0.026 0.000 1.244 737 I HN 0.438 nan 8.210 nan 0.000 0.429 738 P HA -0.001 nan 4.420 nan 0.000 0.264 738 P C -1.331 176.036 177.300 0.112 0.000 1.179 738 P CA 0.375 63.522 63.100 0.078 0.000 0.763 738 P CB 0.207 31.904 31.700 -0.005 0.000 0.806 739 H N 2.759 121.859 119.070 0.051 0.000 2.481 739 H HA 0.412 4.985 4.556 0.027 0.000 0.333 739 H C -1.158 174.200 175.328 0.050 0.000 1.066 739 H CA -1.005 55.066 56.048 0.038 0.000 1.209 739 H CB 1.187 30.971 29.762 0.036 0.000 1.445 739 H HN 0.259 nan 8.280 nan 0.000 0.488 740 L N 4.848 125.596 121.223 -0.793 0.000 2.289 740 L HA 0.346 4.703 4.340 0.027 0.000 0.285 740 L C -0.769 175.777 176.870 -0.541 0.000 1.049 740 L CA 0.012 54.561 54.840 -0.484 0.000 0.804 740 L CB 1.578 43.478 42.059 -0.265 0.000 1.195 740 L HN 0.577 nan 8.230 nan 0.000 0.428 741 T N 3.309 117.750 114.554 -0.189 0.000 2.809 741 T HA 0.480 4.846 4.350 0.027 0.000 0.284 741 T C -0.400 174.359 174.700 0.099 0.000 0.992 741 T CA -0.432 61.655 62.100 -0.021 0.000 0.957 741 T CB 1.205 70.109 68.868 0.059 0.000 0.942 741 T HN 0.684 nan 8.240 nan 0.000 0.439 742 T N 2.838 117.465 114.554 0.123 0.000 2.867 742 T HA 0.747 5.113 4.350 0.027 0.000 0.282 742 T C 0.102 174.831 174.700 0.049 0.000 1.000 742 T CA -0.727 61.477 62.100 0.173 0.000 1.042 742 T CB 1.280 70.299 68.868 0.251 0.000 0.973 742 T HN 0.719 nan 8.240 nan 0.000 0.465 743 S N 1.057 116.733 115.700 -0.039 0.000 2.656 743 S HA 0.416 4.902 4.470 0.027 0.000 0.273 743 S C 0.506 175.034 174.600 -0.120 0.000 1.168 743 S CA -0.830 57.340 58.200 -0.049 0.000 0.817 743 S CB 1.493 64.679 63.200 -0.023 0.000 1.146 743 S HN 0.442 nan 8.310 nan 0.000 0.475 744 E N 0.672 120.821 120.200 -0.084 0.000 2.110 744 E HA -0.065 4.302 4.350 0.027 0.000 0.193 744 E C 1.652 178.171 176.600 -0.134 0.000 0.988 744 E CA 1.480 57.817 56.400 -0.105 0.000 0.804 744 E CB -0.263 29.401 29.700 -0.061 0.000 0.745 744 E HN 0.679 nan 8.360 nan 0.000 0.458 745 M N 0.075 119.616 119.600 -0.098 0.000 2.476 745 M HA 0.150 4.646 4.480 0.027 0.000 0.262 745 M C -0.094 176.141 176.300 -0.109 0.000 1.111 745 M CA 0.687 55.937 55.300 -0.083 0.000 1.127 745 M CB -0.271 32.312 32.600 -0.029 0.000 1.376 745 M HN -0.192 nan 8.290 nan 0.000 0.465 746 D N -1.318 119.000 120.400 -0.137 0.000 2.596 746 D HA 0.549 5.206 4.640 0.027 0.000 0.262 746 D C -1.573 174.651 176.300 -0.127 0.000 1.210 746 D CA -0.377 53.563 54.000 -0.099 0.000 0.873 746 D CB 2.013 42.836 40.800 0.037 0.000 1.408 746 D HN -0.097 nan 8.370 nan 0.000 0.441 747 F N 0.710 120.727 119.950 0.111 0.000 2.477 747 F HA 0.524 5.068 4.527 0.027 0.000 0.335 747 F C -0.450 175.450 175.800 0.167 0.000 1.130 747 F CA -0.788 57.265 58.000 0.088 0.000 0.948 747 F CB 1.275 40.291 39.000 0.026 0.000 1.154 747 F HN 0.120 nan 8.300 nan 0.000 0.439 748 C N 4.119 123.595 119.300 0.294 0.000 2.493 748 C HA 0.769 5.245 4.460 0.027 0.000 0.326 748 C C -0.456 174.657 174.990 0.205 0.000 1.200 748 C CA -0.722 58.452 59.018 0.260 0.000 1.739 748 C CB 1.344 29.185 27.740 0.169 0.000 2.300 748 C HN 0.556 nan 8.230 nan 0.000 0.500 749 I N 2.231 122.984 120.570 0.305 0.000 2.498 749 I HA 0.459 4.645 4.170 0.027 0.000 0.290 749 I C -0.203 176.150 176.117 0.394 0.000 1.032 749 I CA -0.080 61.383 61.300 0.273 0.000 1.073 749 I CB 1.599 39.734 38.000 0.224 0.000 1.251 749 I HN 0.602 nan 8.210 nan 0.000 0.426 750 E N 4.835 125.204 120.200 0.281 0.000 2.222 750 E HA 0.758 5.124 4.350 0.027 0.000 0.267 750 E C -1.598 175.173 176.600 0.285 0.000 0.884 750 E CA -0.728 55.834 56.400 0.270 0.000 0.764 750 E CB 2.254 32.058 29.700 0.174 0.000 1.169 750 E HN 0.431 nan 8.360 nan 0.000 0.413 751 L N 4.035 125.423 121.223 0.276 0.000 2.628 751 L HA 0.471 4.827 4.340 0.027 0.000 0.258 751 L C 0.140 177.092 176.870 0.137 0.000 1.027 751 L CA 0.680 55.660 54.840 0.234 0.000 0.910 751 L CB 0.844 43.089 42.059 0.310 0.000 1.157 751 L HN 0.708 nan 8.230 nan 0.000 0.452 752 G N 4.159 113.008 108.800 0.082 0.000 2.602 752 G HA2 -0.443 3.533 3.960 0.027 0.000 0.310 752 G HA3 -0.443 3.533 3.960 0.027 0.000 0.310 752 G C 0.685 175.588 174.900 0.006 0.000 1.183 752 G CA 0.627 45.751 45.100 0.040 0.000 0.979 752 G HN 1.151 nan 8.290 nan 0.000 0.545 753 N N 1.745 120.438 118.700 -0.011 0.000 2.461 753 N HA 0.097 4.853 4.740 0.027 0.000 0.188 753 N C 0.562 176.019 175.510 -0.087 0.000 1.134 753 N CA 1.131 54.154 53.050 -0.043 0.000 0.878 753 N CB 0.147 38.609 38.487 -0.041 0.000 0.972 753 N HN 0.737 nan 8.380 nan 0.000 0.456 754 K N -0.013 120.323 120.400 -0.106 0.000 2.208 754 K HA 0.486 4.822 4.320 0.027 0.000 0.247 754 K C -0.669 175.761 176.600 -0.284 0.000 0.953 754 K CA -0.782 55.322 56.287 -0.305 0.000 0.837 754 K CB 2.283 34.481 32.500 -0.502 0.000 1.131 754 K HN 0.008 nan 8.250 nan 0.000 0.431 755 R N 1.377 121.615 120.500 -0.438 0.000 2.584 755 R HA 0.350 4.707 4.340 0.027 0.000 0.276 755 R C -1.782 174.428 176.300 -0.149 0.000 1.046 755 R CA -0.571 55.465 56.100 -0.107 0.000 0.906 755 R CB 1.246 31.521 30.300 -0.042 0.000 1.215 755 R HN 0.603 nan 8.270 nan 0.000 0.449 756 W N 3.778 125.169 121.300 0.152 0.000 2.656 756 W HA 0.343 5.019 4.660 0.027 0.000 0.327 756 W C -0.752 175.843 176.519 0.125 0.000 1.041 756 W CA -0.715 56.673 57.345 0.072 0.000 1.229 756 W CB 2.241 31.742 29.460 0.068 0.000 1.397 756 W HN 0.490 nan 8.180 nan 0.000 0.479 757 Q N 2.896 122.820 119.800 0.206 0.000 2.333 757 Q HA 0.397 4.753 4.340 0.027 0.000 0.268 757 Q C -1.819 174.141 176.000 -0.065 0.000 1.007 757 Q CA -0.515 55.408 55.803 0.200 0.000 0.810 757 Q CB 1.251 30.186 28.738 0.330 0.000 1.264 757 Q HN 0.356 nan 8.270 nan 0.000 0.452 758 F N 3.146 123.179 119.950 0.138 0.000 2.361 758 F HA 0.282 4.825 4.527 0.027 0.000 0.364 758 F C 0.666 176.515 175.800 0.081 0.000 1.117 758 F CA -0.829 57.224 58.000 0.088 0.000 1.071 758 F CB 1.062 40.108 39.000 0.077 0.000 1.188 758 F HN 0.497 nan 8.300 nan 0.000 0.464 759 N N 3.632 122.439 118.700 0.178 0.000 2.468 759 N HA 0.026 4.782 4.740 0.027 0.000 0.265 759 N C 0.969 176.529 175.510 0.083 0.000 1.199 759 N CA 0.220 53.339 53.050 0.116 0.000 0.928 759 N CB 0.722 39.281 38.487 0.121 0.000 1.059 759 N HN 0.684 nan 8.380 nan 0.000 0.467 760 R N 2.511 123.000 120.500 -0.020 0.000 2.240 760 R HA -0.028 4.329 4.340 0.027 0.000 0.203 760 R C 1.046 177.318 176.300 -0.046 0.000 1.011 760 R CA 0.750 56.795 56.100 -0.091 0.000 1.007 760 R CB 0.227 30.356 30.300 -0.286 0.000 0.911 760 R HN 0.546 nan 8.270 nan 0.000 0.468 761 Q N -0.147 119.647 119.800 -0.009 0.000 2.269 761 Q HA -0.006 4.350 4.340 0.027 0.000 0.201 761 Q C 1.999 178.023 176.000 0.041 0.000 0.946 761 Q CA 1.493 57.298 55.803 0.004 0.000 0.877 761 Q CB 0.315 29.061 28.738 0.014 0.000 0.963 761 Q HN 0.290 nan 8.270 nan 0.000 0.472 762 S N -1.872 113.884 115.700 0.094 0.000 2.456 762 S HA 0.240 4.726 4.470 0.027 0.000 0.224 762 S C 1.612 176.233 174.600 0.035 0.000 1.035 762 S CA 0.453 58.763 58.200 0.183 0.000 0.940 762 S CB 0.166 63.595 63.200 0.381 0.000 0.799 762 S HN 0.405 nan 8.310 nan 0.000 0.508 763 G N 0.495 109.284 108.800 -0.019 0.000 2.143 763 G HA2 -0.215 3.761 3.960 0.027 0.000 0.249 763 G HA3 -0.215 3.761 3.960 0.027 0.000 0.249 763 G C -0.127 174.674 174.900 -0.166 0.000 0.981 763 G CA 0.241 45.279 45.100 -0.104 0.000 0.665 763 G HN 0.524 nan 8.290 nan 0.000 0.528 764 F N -1.087 119.042 119.950 0.299 0.000 2.507 764 F HA 0.662 5.205 4.527 0.027 0.000 0.327 764 F C 0.546 176.372 175.800 0.043 0.000 1.068 764 F CA -1.397 56.732 58.000 0.215 0.000 0.965 764 F CB 1.460 40.543 39.000 0.138 0.000 1.192 764 F HN 0.005 nan 8.300 nan 0.000 0.476 765 L N 2.286 123.535 121.223 0.043 0.000 2.515 765 L HA 0.151 4.508 4.340 0.027 0.000 0.281 765 L C 1.049 177.802 176.870 -0.195 0.000 1.131 765 L CA 0.428 54.951 54.840 -0.528 0.000 0.905 765 L CB 0.066 41.761 42.059 -0.607 0.000 1.246 765 L HN 0.709 nan 8.230 nan 0.000 0.463 766 S N 2.521 118.126 115.700 -0.159 0.000 2.486 766 S HA 0.205 4.691 4.470 0.027 0.000 0.220 766 S C 0.655 175.139 174.600 -0.193 0.000 1.011 766 S CA -0.027 58.119 58.200 -0.091 0.000 0.921 766 S CB 0.066 63.264 63.200 -0.004 0.000 0.785 766 S HN 0.674 nan 8.310 nan 0.000 0.517 767 Q N -0.059 119.573 119.800 -0.281 0.000 2.472 767 Q HA 0.683 5.040 4.340 0.027 0.000 0.281 767 Q C -2.017 173.672 176.000 -0.519 0.000 0.997 767 Q CA -0.344 55.162 55.803 -0.494 0.000 0.828 767 Q CB 1.843 30.148 28.738 -0.722 0.000 1.443 767 Q HN 0.470 nan 8.270 nan 0.000 0.390 768 M N 1.380 120.562 119.600 -0.698 0.000 2.433 768 M HA 0.605 5.102 4.480 0.027 0.000 0.290 768 M C -1.356 174.594 176.300 -0.584 0.000 1.173 768 M CA -0.537 54.425 55.300 -0.564 0.000 0.905 768 M CB 2.348 34.562 32.600 -0.643 0.000 1.692 768 M HN 0.410 nan 8.290 nan 0.000 0.462 769 W N 2.865 123.937 121.300 -0.380 0.000 2.844 769 W HA 0.690 5.367 4.660 0.027 0.000 0.340 769 W C -1.330 174.996 176.519 -0.322 0.000 1.093 769 W CA -0.699 56.482 57.345 -0.274 0.000 1.212 769 W CB 1.875 31.209 29.460 -0.209 0.000 1.422 769 W HN 0.521 nan 8.180 nan 0.000 0.515 770 I N 2.762 123.322 120.570 -0.016 0.000 2.439 770 I HA 0.397 4.584 4.170 0.027 0.000 0.283 770 I C 0.793 176.898 176.117 -0.021 0.000 1.023 770 I CA 0.047 61.300 61.300 -0.079 0.000 1.100 770 I CB 1.169 39.093 38.000 -0.127 0.000 1.238 770 I HN 0.708 nan 8.210 nan 0.000 0.445 771 G N 6.034 114.818 108.800 -0.027 0.000 2.556 771 G HA2 -0.345 3.632 3.960 0.027 0.000 0.283 771 G HA3 -0.345 3.632 3.960 0.027 0.000 0.283 771 G C 0.353 175.265 174.900 0.021 0.000 1.177 771 G CA 0.680 45.770 45.100 -0.018 0.000 0.978 771 G HN 0.807 nan 8.290 nan 0.000 0.554 772 D N 0.501 120.921 120.400 0.035 0.000 2.349 772 D HA 0.161 4.818 4.640 0.027 0.000 0.214 772 D C 0.899 177.324 176.300 0.209 0.000 1.063 772 D CA 0.388 54.441 54.000 0.088 0.000 0.847 772 D CB 0.129 40.947 40.800 0.030 0.000 0.933 772 D HN 0.487 nan 8.370 nan 0.000 0.513 773 K N 1.580 122.055 120.400 0.124 0.000 2.349 773 K HA 0.109 4.445 4.320 0.027 0.000 0.289 773 K C 0.045 176.627 176.600 -0.030 0.000 1.064 773 K CA -0.236 56.084 56.287 0.054 0.000 0.947 773 K CB 0.759 33.253 32.500 -0.011 0.000 1.007 773 K HN 0.059 nan 8.250 nan 0.000 0.478 774 K N 2.593 122.888 120.400 -0.174 0.000 2.355 774 K HA -0.003 4.333 4.320 0.027 0.000 0.270 774 K C 0.986 177.383 176.600 -0.337 0.000 1.003 774 K CA -0.048 55.897 56.287 -0.571 0.000 0.957 774 K CB 0.779 32.960 32.500 -0.531 0.000 0.939 774 K HN 0.462 nan 8.250 nan 0.000 0.482 775 Q N 1.290 120.867 119.800 -0.371 0.000 2.317 775 Q HA 0.174 4.531 4.340 0.027 0.000 0.220 775 Q C 0.085 175.996 176.000 -0.149 0.000 0.873 775 Q CA 0.367 56.073 55.803 -0.162 0.000 0.936 775 Q CB 0.543 29.234 28.738 -0.078 0.000 1.105 775 Q HN 0.490 nan 8.270 nan 0.000 0.520 776 L N 0.837 121.905 121.223 -0.258 0.000 2.346 776 L HA 0.374 4.730 4.340 0.027 0.000 0.276 776 L C 0.971 177.705 176.870 -0.227 0.000 1.006 776 L CA -0.361 54.346 54.840 -0.222 0.000 0.817 776 L CB 1.656 43.577 42.059 -0.229 0.000 1.272 776 L HN -0.071 nan 8.230 nan 0.000 0.421 777 L N 0.809 121.894 121.223 -0.229 0.000 2.357 777 L HA 0.152 4.508 4.340 0.027 0.000 0.211 777 L C 0.800 177.553 176.870 -0.196 0.000 1.075 777 L CA 0.546 55.258 54.840 -0.213 0.000 0.830 777 L CB 0.264 42.185 42.059 -0.230 0.000 0.996 777 L HN 0.764 nan 8.230 nan 0.000 0.467 778 T N -3.363 111.048 114.554 -0.238 0.000 2.903 778 T HA 0.533 4.899 4.350 0.027 0.000 0.299 778 T C -2.861 171.763 174.700 -0.127 0.000 1.093 778 T CA -2.078 59.934 62.100 -0.147 0.000 1.002 778 T CB 2.323 71.132 68.868 -0.098 0.000 1.127 778 T HN -0.323 nan 8.240 nan 0.000 0.488 779 P HA 0.226 nan 4.420 nan 0.000 0.271 779 P C -0.554 176.716 177.300 -0.050 0.000 1.233 779 P CA -0.711 62.354 63.100 -0.060 0.000 0.789 779 P CB 0.274 31.959 31.700 -0.025 0.000 0.951 780 L N 2.872 124.106 121.223 0.018 0.000 2.325 780 L HA 0.234 4.591 4.340 0.027 0.000 0.284 780 L C 0.160 177.037 176.870 0.011 0.000 1.089 780 L CA 0.570 55.467 54.840 0.094 0.000 0.836 780 L CB -0.829 41.381 42.059 0.252 0.000 1.184 780 L HN 0.282 nan 8.230 nan 0.000 0.444 781 R N 2.720 123.141 120.500 -0.132 0.000 2.854 781 R HA 0.484 4.841 4.340 0.027 0.000 0.271 781 R C -0.887 175.315 176.300 -0.163 0.000 0.994 781 R CA -0.973 54.911 56.100 -0.359 0.000 0.945 781 R CB 1.233 31.107 30.300 -0.709 0.000 1.194 781 R HN 0.533 nan 8.270 nan 0.000 0.476 782 D N 1.028 121.375 120.400 -0.087 0.000 2.382 782 D HA 0.067 4.724 4.640 0.027 0.000 0.240 782 D C -0.461 175.451 176.300 -0.647 0.000 1.146 782 D CA 0.335 54.127 54.000 -0.347 0.000 0.897 782 D CB 0.682 41.201 40.800 -0.468 0.000 1.197 782 D HN 0.228 nan 8.370 nan 0.000 0.432 783 Q N 1.060 120.281 119.800 -0.964 0.000 2.289 783 Q HA 0.334 4.690 4.340 0.027 0.000 0.270 783 Q C -1.351 173.914 176.000 -1.226 0.000 1.038 783 Q CA -0.587 54.698 55.803 -0.863 0.000 0.812 783 Q CB 0.857 29.315 28.738 -0.466 0.000 1.300 783 Q HN 0.576 nan 8.270 nan 0.000 0.427 784 F N 0.854 120.412 119.950 -0.655 0.000 2.688 784 F HA 0.209 4.752 4.527 0.027 0.000 0.310 784 F C 0.590 175.953 175.800 -0.728 0.000 1.098 784 F CA -0.199 57.304 58.000 -0.828 0.000 1.228 784 F CB 1.586 39.765 39.000 -1.368 0.000 1.042 784 F HN 0.473 nan 8.300 nan 0.000 0.557 785 T N -0.875 113.379 114.554 -0.500 0.000 2.907 785 T HA 0.753 5.119 4.350 0.027 0.000 0.290 785 T C -0.585 173.873 174.700 -0.403 0.000 1.066 785 T CA -0.966 60.774 62.100 -0.600 0.000 1.012 785 T CB 2.747 71.198 68.868 -0.695 0.000 1.184 785 T HN 0.247 nan 8.240 nan 0.000 0.522 786 R N 0.038 120.337 120.500 -0.335 0.000 2.808 786 R HA 0.779 5.135 4.340 0.027 0.000 0.272 786 R C -0.855 175.494 176.300 0.081 0.000 0.995 786 R CA -1.213 54.819 56.100 -0.114 0.000 0.917 786 R CB 1.577 31.821 30.300 -0.093 0.000 1.217 786 R HN 0.827 nan 8.270 nan 0.000 0.471 787 A N 3.085 125.938 122.820 0.055 0.000 2.451 787 A HA 0.347 4.683 4.320 0.027 0.000 0.266 787 A C -2.119 175.523 177.584 0.097 0.000 1.119 787 A CA -1.470 50.602 52.037 0.057 0.000 0.786 787 A CB -0.300 18.679 19.000 -0.034 0.000 1.061 787 A HN 0.529 nan 8.150 nan 0.000 0.503 788 P HA 0.173 nan 4.420 nan 0.000 0.267 788 P C -0.206 177.198 177.300 0.175 0.000 1.205 788 P CA 0.219 63.468 63.100 0.248 0.000 0.765 788 P CB 0.397 32.277 31.700 0.300 0.000 0.828 789 L N 2.481 123.772 121.223 0.114 0.000 2.475 789 L HA 0.127 4.484 4.340 0.027 0.000 0.253 789 L C 1.765 178.643 176.870 0.012 0.000 1.198 789 L CA -0.322 54.519 54.840 0.002 0.000 0.814 789 L CB 0.013 42.007 42.059 -0.108 0.000 1.134 789 L HN 0.323 nan 8.230 nan 0.000 0.478 790 D N 0.409 120.757 120.400 -0.086 0.000 2.158 790 D HA -0.163 4.493 4.640 0.027 0.000 0.197 790 D C 1.629 177.846 176.300 -0.138 0.000 0.995 790 D CA 1.372 55.245 54.000 -0.213 0.000 0.846 790 D CB 0.041 40.639 40.800 -0.336 0.000 0.941 790 D HN 0.479 nan 8.370 nan 0.000 0.456 791 N N 0.982 119.617 118.700 -0.108 0.000 2.309 791 N HA -0.108 4.648 4.740 0.027 0.000 0.182 791 N C 1.165 176.683 175.510 0.013 0.000 1.018 791 N CA 0.707 53.724 53.050 -0.055 0.000 0.876 791 N CB -0.158 38.288 38.487 -0.069 0.000 0.972 791 N HN 0.260 nan 8.380 nan 0.000 0.434 792 D N 0.368 120.792 120.400 0.039 0.000 2.234 792 D HA 0.054 4.711 4.640 0.027 0.000 0.205 792 D C 1.951 178.289 176.300 0.064 0.000 0.962 792 D CA 0.386 54.442 54.000 0.092 0.000 0.855 792 D CB 0.208 41.142 40.800 0.224 0.000 0.951 792 D HN 0.325 nan 8.370 nan 0.000 0.500 793 I N 0.032 120.626 120.570 0.039 0.000 2.494 793 I HA 0.084 4.270 4.170 0.027 0.000 0.250 793 I C 1.807 177.937 176.117 0.022 0.000 1.112 793 I CA 0.546 61.856 61.300 0.016 0.000 1.438 793 I CB -0.241 37.738 38.000 -0.035 0.000 1.111 793 I HN 0.039 nan 8.210 nan 0.000 0.431 794 G N 1.545 110.370 108.800 0.041 0.000 2.583 794 G HA2 -0.358 3.618 3.960 0.027 0.000 0.292 794 G HA3 -0.358 3.618 3.960 0.027 0.000 0.292 794 G C 0.771 175.826 174.900 0.259 0.000 1.203 794 G CA 0.943 46.136 45.100 0.155 0.000 0.987 794 G HN 0.519 nan 8.290 nan 0.000 0.554 795 V N -1.809 118.206 119.914 0.169 0.000 3.649 795 V HA 0.566 4.702 4.120 0.027 0.000 0.275 795 V C 1.402 177.516 176.094 0.034 0.000 1.281 795 V CA 1.389 63.740 62.300 0.084 0.000 1.143 795 V CB -0.001 31.769 31.823 -0.087 0.000 0.892 795 V HN 1.254 nan 8.190 nan 0.000 0.441 796 S N 1.364 117.081 115.700 0.029 0.000 2.552 796 S HA 0.226 4.712 4.470 0.027 0.000 0.289 796 S C -0.021 174.583 174.600 0.006 0.000 1.304 796 S CA 0.227 58.427 58.200 0.001 0.000 1.063 796 S CB -0.052 63.144 63.200 -0.007 0.000 0.848 796 S HN 0.835 nan 8.310 nan 0.000 0.499 797 E N 1.435 121.633 120.200 -0.003 0.000 2.390 797 E HA 0.468 4.834 4.350 0.027 0.000 0.277 797 E C 0.577 177.179 176.600 0.004 0.000 0.939 797 E CA -0.614 55.788 56.400 0.004 0.000 0.769 797 E CB 1.345 31.047 29.700 0.003 0.000 1.251 797 E HN 0.541 nan 8.360 nan 0.000 0.450 798 A N 0.902 123.730 122.820 0.013 0.000 1.927 798 A HA -0.232 4.104 4.320 0.027 0.000 0.220 798 A C 1.990 179.579 177.584 0.008 0.000 1.185 798 A CA 2.694 54.739 52.037 0.014 0.000 0.639 798 A CB -1.066 17.948 19.000 0.023 0.000 0.820 798 A HN 0.692 nan 8.150 nan 0.000 0.451 799 T N -2.434 112.123 114.554 0.005 0.000 3.113 799 T HA 0.168 4.535 4.350 0.027 0.000 0.256 799 T C 0.600 175.292 174.700 -0.013 0.000 1.131 799 T CA 0.511 62.610 62.100 -0.002 0.000 1.074 799 T CB -0.255 68.613 68.868 0.000 0.000 0.944 799 T HN 0.703 nan 8.240 nan 0.000 0.516 800 R N 0.626 121.116 120.500 -0.017 0.000 3.190 800 R HA 0.382 4.739 4.340 0.027 0.000 0.244 800 R C -1.314 174.969 176.300 -0.028 0.000 1.788 800 R CA -0.766 55.316 56.100 -0.029 0.000 1.160 800 R CB -0.028 30.246 30.300 -0.044 0.000 1.494 800 R HN 0.054 nan 8.270 nan 0.000 0.499 801 I N 2.118 122.674 120.570 -0.023 0.000 2.648 801 I HA 0.023 4.209 4.170 0.027 0.000 0.284 801 I C 0.308 176.403 176.117 -0.037 0.000 1.153 801 I CA 0.149 61.435 61.300 -0.023 0.000 1.426 801 I CB 0.809 38.798 38.000 -0.018 0.000 1.381 801 I HN 0.601 nan 8.210 nan 0.000 0.571 802 D N 9.206 129.581 120.400 -0.041 0.000 2.454 802 D HA 0.284 4.940 4.640 0.027 0.000 0.225 802 D C -1.737 174.518 176.300 -0.075 0.000 1.081 802 D CA -2.206 51.760 54.000 -0.057 0.000 0.864 802 D CB 1.549 42.318 40.800 -0.052 0.000 1.040 802 D HN 0.189 nan 8.370 nan 0.000 0.517 803 P HA -0.085 nan 4.420 nan 0.000 0.230 803 P C 0.787 177.998 177.300 -0.149 0.000 1.158 803 P CA 0.553 63.595 63.100 -0.096 0.000 0.769 803 P CB 0.387 32.039 31.700 -0.079 0.000 0.807 804 N N 0.254 118.861 118.700 -0.156 0.000 2.415 804 N HA 0.035 4.791 4.740 0.027 0.000 0.176 804 N C 0.509 175.840 175.510 -0.299 0.000 1.042 804 N CA 0.091 53.007 53.050 -0.222 0.000 0.902 804 N CB -0.487 37.898 38.487 -0.171 0.000 0.986 804 N HN -0.065 nan 8.380 nan 0.000 0.447 805 A N -0.388 122.302 122.820 -0.216 0.000 2.483 805 A HA 0.053 4.389 4.320 0.027 0.000 0.238 805 A C 0.719 178.113 177.584 -0.317 0.000 1.070 805 A CA -0.275 51.638 52.037 -0.207 0.000 0.770 805 A CB -0.228 18.717 19.000 -0.092 0.000 1.008 805 A HN 0.559 nan 8.150 nan 0.000 0.497 806 W N 1.616 122.660 121.300 -0.427 0.000 2.338 806 W HA -0.165 4.511 4.660 0.027 0.000 0.304 806 W C 2.188 178.119 176.519 -0.980 0.000 1.212 806 W CA 1.588 58.417 57.345 -0.861 0.000 1.264 806 W CB -0.228 28.610 29.460 -1.037 0.000 1.142 806 W HN 0.566 nan 8.180 nan 0.000 0.512 807 V N 0.834 120.616 119.914 -0.219 0.000 2.392 807 V HA -0.266 3.870 4.120 0.027 0.000 0.249 807 V C 2.149 178.323 176.094 0.132 0.000 1.059 807 V CA 2.064 64.443 62.300 0.131 0.000 1.051 807 V CB -0.324 31.625 31.823 0.211 0.000 0.658 807 V HN 0.078 nan 8.190 nan 0.000 0.455 808 E N 0.053 120.239 120.200 -0.023 0.000 2.072 808 E HA -0.172 4.195 4.350 0.027 0.000 0.191 808 E C 2.334 178.904 176.600 -0.050 0.000 0.985 808 E CA 1.145 57.532 56.400 -0.022 0.000 0.801 808 E CB -0.343 29.320 29.700 -0.062 0.000 0.750 808 E HN 0.640 nan 8.360 nan 0.000 0.452 809 R N -0.037 120.353 120.500 -0.183 0.000 2.073 809 R HA -0.125 4.231 4.340 0.027 0.000 0.234 809 R C 2.347 178.591 176.300 -0.093 0.000 1.134 809 R CA 1.377 57.349 56.100 -0.214 0.000 0.952 809 R CB -0.296 29.763 30.300 -0.401 0.000 0.850 809 R HN 0.260 nan 8.270 nan 0.000 0.433 810 W N 1.640 122.903 121.300 -0.061 0.000 2.358 810 W HA -0.072 4.605 4.660 0.028 0.000 0.303 810 W C 2.021 178.487 176.519 -0.088 0.000 1.208 810 W CA 0.638 57.834 57.345 -0.249 0.000 1.274 810 W CB -0.674 28.778 29.460 -0.012 0.000 1.138 810 W HN 0.128 nan 8.180 nan 0.000 0.515 811 K N 0.173 120.793 120.400 0.366 0.000 2.002 811 K HA -0.101 4.235 4.320 0.027 0.000 0.209 811 K C 2.297 178.960 176.600 0.104 0.000 1.048 811 K CA 1.833 58.297 56.287 0.296 0.000 0.930 811 K CB -0.664 31.954 32.500 0.198 0.000 0.714 811 K HN -0.026 nan 8.250 nan 0.000 0.438 812 A N 1.265 124.115 122.820 0.050 0.000 1.978 812 A HA -0.128 4.208 4.320 0.027 0.000 0.220 812 A C 2.232 179.808 177.584 -0.013 0.000 1.170 812 A CA 1.879 53.926 52.037 0.017 0.000 0.636 812 A CB -0.600 18.398 19.000 -0.003 0.000 0.810 812 A HN 0.362 nan 8.150 nan 0.000 0.448 813 A N -1.982 120.802 122.820 -0.060 0.000 2.167 813 A HA 0.388 4.725 4.320 0.027 0.000 0.214 813 A C 1.873 179.365 177.584 -0.154 0.000 1.151 813 A CA 1.288 53.288 52.037 -0.063 0.000 0.735 813 A CB -0.846 18.079 19.000 -0.125 0.000 0.802 813 A HN 1.906 nan 8.150 nan 0.000 0.467 814 G N -1.638 106.963 108.800 -0.332 0.000 2.141 814 G HA2 -0.304 3.672 3.960 0.027 0.000 0.242 814 G HA3 -0.304 3.672 3.960 0.027 0.000 0.242 814 G C 0.581 175.465 174.900 -0.026 0.000 0.982 814 G CA 0.675 45.359 45.100 -0.692 0.000 0.662 814 G HN 0.743 nan 8.290 nan 0.000 0.527 815 H N -1.397 117.640 119.070 -0.055 0.000 2.387 815 H HA -0.131 4.441 4.556 0.027 0.000 0.299 815 H C 2.217 177.512 175.328 -0.056 0.000 1.099 815 H CA 1.727 57.757 56.048 -0.031 0.000 1.315 815 H CB 0.052 29.731 29.762 -0.138 0.000 1.380 815 H HN 0.622 nan 8.280 nan 0.000 0.513 816 Y N 0.350 120.772 120.300 0.203 0.000 2.457 816 Y HA -0.067 4.499 4.550 0.027 0.000 0.292 816 Y C 2.137 178.118 175.900 0.135 0.000 1.125 816 Y CA 0.605 58.785 58.100 0.134 0.000 1.254 816 Y CB 0.308 38.830 38.460 0.104 0.000 1.012 816 Y HN 0.194 nan 8.280 nan 0.000 0.555 817 Q N -0.311 119.653 119.800 0.273 0.000 2.247 817 Q HA 0.299 4.655 4.340 0.027 0.000 0.211 817 Q C 0.508 176.696 176.000 0.314 0.000 0.861 817 Q CA -0.214 55.747 55.803 0.263 0.000 0.949 817 Q CB 0.597 29.485 28.738 0.250 0.000 1.115 817 Q HN 0.273 nan 8.270 nan 0.000 0.507 818 A N 1.945 124.971 122.820 0.343 0.000 2.511 818 A HA 0.092 4.428 4.320 0.027 0.000 0.242 818 A C -0.290 177.589 177.584 0.493 0.000 1.069 818 A CA 0.020 52.323 52.037 0.444 0.000 0.763 818 A CB 0.141 19.443 19.000 0.504 0.000 1.001 818 A HN 0.192 nan 8.150 nan 0.000 0.498 819 E N 1.524 121.938 120.200 0.356 0.000 2.191 819 E HA 0.551 4.917 4.350 0.027 0.000 0.278 819 E C -0.188 176.397 176.600 -0.024 0.000 0.972 819 E CA -0.581 55.952 56.400 0.223 0.000 0.804 819 E CB 1.475 31.264 29.700 0.147 0.000 1.110 819 E HN 0.710 nan 8.360 nan 0.000 0.394 820 A N 2.327 125.042 122.820 -0.175 0.000 2.451 820 A HA 0.495 4.831 4.320 0.027 0.000 0.266 820 A C -0.093 177.360 177.584 -0.219 0.000 1.119 820 A CA -0.271 51.393 52.037 -0.622 0.000 0.786 820 A CB 0.102 18.951 19.000 -0.252 0.000 1.061 820 A HN 0.651 nan 8.150 nan 0.000 0.503 821 A N 2.929 125.599 122.820 -0.249 0.000 2.288 821 A HA 0.579 4.915 4.320 0.027 0.000 0.320 821 A C -0.386 177.133 177.584 -0.109 0.000 1.217 821 A CA -0.557 51.420 52.037 -0.100 0.000 0.840 821 A CB 0.441 19.398 19.000 -0.072 0.000 1.179 821 A HN 1.152 nan 8.150 nan 0.000 0.504 822 L N 3.348 124.505 121.223 -0.110 0.000 2.361 822 L HA 0.297 4.654 4.340 0.027 0.000 0.278 822 L C 0.510 177.261 176.870 -0.199 0.000 1.113 822 L CA 0.318 55.000 54.840 -0.262 0.000 0.849 822 L CB 0.269 42.191 42.059 -0.229 0.000 1.155 822 L HN 0.788 nan 8.230 nan 0.000 0.452 823 L N 3.412 124.489 121.223 -0.243 0.000 2.425 823 L HA 0.299 4.655 4.340 0.027 0.000 0.215 823 L C 0.432 177.232 176.870 -0.116 0.000 1.065 823 L CA 0.106 54.867 54.840 -0.130 0.000 0.842 823 L CB 0.096 42.107 42.059 -0.081 0.000 1.033 823 L HN 0.737 nan 8.230 nan 0.000 0.474 824 Q N -0.550 119.149 119.800 -0.169 0.000 2.503 824 Q HA 0.275 4.631 4.340 0.027 0.000 0.268 824 Q C -2.085 173.850 176.000 -0.109 0.000 0.982 824 Q CA -0.550 55.191 55.803 -0.103 0.000 0.907 824 Q CB 2.806 31.510 28.738 -0.057 0.000 1.467 824 Q HN 0.044 nan 8.270 nan 0.000 0.394 825 C N 3.276 122.560 119.300 -0.026 0.000 2.679 825 C HA 0.819 5.295 4.460 0.027 0.000 0.354 825 C C -0.869 174.225 174.990 0.174 0.000 1.067 825 C CA 0.538 59.588 59.018 0.052 0.000 1.317 825 C CB 0.485 28.251 27.740 0.044 0.000 1.843 825 C HN 0.811 nan 8.230 nan 0.000 0.459 826 T N 2.454 117.043 114.554 0.058 0.000 2.896 826 T HA 0.886 5.252 4.350 0.027 0.000 0.297 826 T C -0.590 173.835 174.700 -0.459 0.000 1.108 826 T CA -0.299 61.775 62.100 -0.043 0.000 1.004 826 T CB 1.905 70.743 68.868 -0.049 0.000 1.159 826 T HN 1.597 nan 8.240 nan 0.000 0.499 827 A N 1.630 123.994 122.820 -0.760 0.000 2.343 827 A HA 0.771 5.107 4.320 0.027 0.000 0.316 827 A C -1.078 176.240 177.584 -0.443 0.000 1.104 827 A CA -0.673 50.824 52.037 -0.901 0.000 0.768 827 A CB 1.105 19.096 19.000 -1.682 0.000 1.213 827 A HN 0.860 nan 8.150 nan 0.000 0.456 828 D N 0.707 120.907 120.400 -0.332 0.000 2.645 828 D HA 0.597 5.253 4.640 0.027 0.000 0.228 828 D C -0.888 175.306 176.300 -0.177 0.000 1.148 828 D CA 0.072 53.950 54.000 -0.203 0.000 0.860 828 D CB 2.439 43.151 40.800 -0.147 0.000 1.548 828 D HN 0.461 nan 8.370 nan 0.000 0.460 829 T N 0.963 115.443 114.554 -0.123 0.000 2.823 829 T HA 0.596 4.962 4.350 0.027 0.000 0.279 829 T C 0.495 175.152 174.700 -0.072 0.000 0.998 829 T CA -0.655 61.385 62.100 -0.100 0.000 0.994 829 T CB 1.237 70.061 68.868 -0.073 0.000 0.960 829 T HN 0.115 nan 8.240 nan 0.000 0.448 830 L N 1.107 122.290 121.223 -0.066 0.000 2.347 830 L HA 0.633 4.989 4.340 0.027 0.000 0.268 830 L C 2.001 178.852 176.870 -0.032 0.000 1.019 830 L CA -1.356 53.456 54.840 -0.047 0.000 0.806 830 L CB 0.321 42.352 42.059 -0.047 0.000 1.339 830 L HN 0.757 nan 8.230 nan 0.000 0.463 831 A N 0.505 123.312 122.820 -0.022 0.000 1.908 831 A HA -0.183 4.153 4.320 0.027 0.000 0.218 831 A C 1.182 178.761 177.584 -0.009 0.000 1.181 831 A CA 2.156 54.186 52.037 -0.011 0.000 0.627 831 A CB -0.523 18.472 19.000 -0.007 0.000 0.818 831 A HN 0.921 nan 8.150 nan 0.000 0.445 832 D N -2.719 117.671 120.400 -0.016 0.000 2.540 832 D HA 0.546 5.202 4.640 0.027 0.000 0.229 832 D C 0.118 176.400 176.300 -0.029 0.000 1.250 832 D CA 0.698 54.690 54.000 -0.014 0.000 0.817 832 D CB -0.150 40.644 40.800 -0.010 0.000 1.060 832 D HN 0.485 nan 8.370 nan 0.000 0.508 833 A N -0.417 122.376 122.820 -0.046 0.000 2.581 833 A HA 0.646 4.982 4.320 0.027 0.000 0.290 833 A C -1.668 175.857 177.584 -0.098 0.000 1.119 833 A CA -0.692 51.301 52.037 -0.074 0.000 0.670 833 A CB 1.515 20.466 19.000 -0.080 0.000 1.280 833 A HN -0.013 nan 8.150 nan 0.000 0.425 834 V N 0.432 120.261 119.914 -0.142 0.000 2.513 834 V HA 0.626 4.762 4.120 0.027 0.000 0.299 834 V C -1.010 174.960 176.094 -0.206 0.000 1.035 834 V CA -0.417 61.774 62.300 -0.182 0.000 0.889 834 V CB 1.369 33.068 31.823 -0.205 0.000 0.988 834 V HN 0.765 nan 8.190 nan 0.000 0.440 835 L N 6.278 127.369 121.223 -0.220 0.000 2.342 835 L HA 0.622 4.978 4.340 0.027 0.000 0.276 835 L C -0.854 175.840 176.870 -0.293 0.000 0.997 835 L CA -0.007 54.708 54.840 -0.210 0.000 0.838 835 L CB 1.159 43.129 42.059 -0.147 0.000 1.224 835 L HN 0.407 nan 8.230 nan 0.000 0.416 836 I N 3.938 124.322 120.570 -0.310 0.000 2.354 836 I HA 0.425 4.611 4.170 0.027 0.000 0.292 836 I C 0.033 176.089 176.117 -0.101 0.000 0.989 836 I CA -0.279 60.782 61.300 -0.399 0.000 1.188 836 I CB 1.517 38.997 38.000 -0.866 0.000 1.342 836 I HN 0.500 nan 8.210 nan 0.000 0.457 837 T N 5.209 119.703 114.554 -0.101 0.000 2.792 837 T HA 0.614 4.981 4.350 0.027 0.000 0.280 837 T C 0.187 174.903 174.700 0.026 0.000 0.990 837 T CA -0.488 61.607 62.100 -0.008 0.000 0.960 837 T CB 1.534 70.374 68.868 -0.047 0.000 0.939 837 T HN 0.768 nan 8.240 nan 0.000 0.439 838 T N -0.149 114.461 114.554 0.093 0.000 2.916 838 T HA 0.893 5.260 4.350 0.027 0.000 0.292 838 T C -1.017 173.704 174.700 0.035 0.000 1.055 838 T CA -1.108 61.024 62.100 0.053 0.000 1.009 838 T CB 2.058 71.031 68.868 0.175 0.000 1.118 838 T HN 0.731 nan 8.240 nan 0.000 0.497 839 A N 1.467 124.222 122.820 -0.108 0.000 2.465 839 A HA 0.729 5.065 4.320 0.027 0.000 0.292 839 A C -1.477 175.971 177.584 -0.227 0.000 1.041 839 A CA -0.794 51.229 52.037 -0.023 0.000 0.718 839 A CB 0.826 19.828 19.000 0.003 0.000 1.266 839 A HN 0.993 nan 8.150 nan 0.000 0.403 840 H N 0.170 119.271 119.070 0.052 0.000 2.821 840 H HA 0.807 5.379 4.556 0.027 0.000 0.373 840 H C 0.001 175.299 175.328 -0.050 0.000 1.165 840 H CA 0.238 56.226 56.048 -0.101 0.000 1.154 840 H CB 2.142 31.726 29.762 -0.297 0.000 1.765 840 H HN 0.998 nan 8.280 nan 0.000 0.549 841 A N 1.684 124.473 122.820 -0.051 0.000 2.355 841 A HA 0.449 4.785 4.320 0.027 0.000 0.317 841 A C -1.339 176.176 177.584 -0.115 0.000 1.094 841 A CA -0.701 51.380 52.037 0.074 0.000 0.764 841 A CB 1.100 20.139 19.000 0.064 0.000 1.230 841 A HN 0.575 nan 8.150 nan 0.000 0.448 842 W N 1.771 123.205 121.300 0.223 0.000 2.429 842 W HA 0.468 5.145 4.660 0.027 0.000 0.314 842 W C -0.374 176.200 176.519 0.091 0.000 1.062 842 W CA -0.115 57.362 57.345 0.220 0.000 1.211 842 W CB 1.796 31.452 29.460 0.327 0.000 1.305 842 W HN 0.777 nan 8.180 nan 0.000 0.476 843 Q N 1.308 121.270 119.800 0.269 0.000 2.484 843 Q HA 0.412 4.768 4.340 0.027 0.000 0.285 843 Q C -0.952 175.195 176.000 0.245 0.000 1.097 843 Q CA -0.810 55.102 55.803 0.183 0.000 0.802 843 Q CB 3.665 32.461 28.738 0.096 0.000 1.444 843 Q HN 0.377 nan 8.270 nan 0.000 0.429 844 H N 1.406 120.525 119.070 0.082 0.000 3.017 844 H HA 0.100 4.672 4.556 0.027 0.000 0.340 844 H C -0.973 174.393 175.328 0.063 0.000 1.014 844 H CA -0.156 55.945 56.048 0.089 0.000 1.341 844 H CB 1.201 31.026 29.762 0.106 0.000 1.739 844 H HN 0.813 nan 8.280 nan 0.000 0.506 845 Q N 3.111 122.586 119.800 -0.541 0.000 2.416 845 Q HA -0.246 4.110 4.340 0.027 0.000 0.319 845 Q C 0.942 176.873 176.000 -0.115 0.000 1.318 845 Q CA 1.124 56.727 55.803 -0.333 0.000 0.915 845 Q CB -1.315 27.201 28.738 -0.370 0.000 1.184 845 Q HN 1.141 nan 8.270 nan 0.000 0.444 846 G N -0.339 108.423 108.800 -0.063 0.000 2.162 846 G HA2 -0.379 3.598 3.960 0.027 0.000 0.260 846 G HA3 -0.379 3.598 3.960 0.027 0.000 0.260 846 G C -0.019 174.888 174.900 0.011 0.000 0.976 846 G CA 0.671 45.763 45.100 -0.015 0.000 0.655 846 G HN 0.413 nan 8.290 nan 0.000 0.533 847 K N 0.833 121.251 120.400 0.031 0.000 2.164 847 K HA 0.666 5.002 4.320 0.027 0.000 0.258 847 K C 0.014 176.638 176.600 0.040 0.000 0.951 847 K CA -0.277 56.034 56.287 0.040 0.000 0.844 847 K CB 1.111 33.646 32.500 0.057 0.000 1.099 847 K HN -0.020 nan 8.250 nan 0.000 0.435 848 T N 5.774 120.343 114.554 0.025 0.000 2.723 848 T HA 0.219 4.585 4.350 0.027 0.000 0.297 848 T C 1.075 175.745 174.700 -0.050 0.000 0.925 848 T CA -0.431 61.684 62.100 0.026 0.000 1.030 848 T CB 0.305 69.203 68.868 0.051 0.000 0.905 848 T HN 0.543 nan 8.240 nan 0.000 0.502 849 L N 2.331 123.460 121.223 -0.157 0.000 2.102 849 L HA 0.304 4.661 4.340 0.027 0.000 0.202 849 L C -0.043 176.424 176.870 -0.672 0.000 1.076 849 L CA 1.045 55.534 54.840 -0.584 0.000 0.761 849 L CB 0.006 41.379 42.059 -1.143 0.000 0.921 849 L HN 0.525 nan 8.230 nan 0.000 0.444 850 F N -1.328 118.606 119.950 -0.028 0.000 2.619 850 F HA 0.533 5.076 4.527 0.027 0.000 0.308 850 F C -0.598 175.340 175.800 0.230 0.000 1.097 850 F CA -0.778 57.151 58.000 -0.118 0.000 0.953 850 F CB 1.898 40.434 39.000 -0.773 0.000 1.287 850 F HN -0.324 nan 8.300 nan 0.000 0.446 851 I N 1.629 122.437 120.570 0.397 0.000 2.418 851 I HA 0.343 4.529 4.170 0.027 0.000 0.287 851 I C -0.640 175.747 176.117 0.452 0.000 1.008 851 I CA -0.468 61.083 61.300 0.419 0.000 1.104 851 I CB 2.053 40.205 38.000 0.254 0.000 1.264 851 I HN 0.518 nan 8.210 nan 0.000 0.438 852 S N 6.886 122.961 115.700 0.625 0.000 2.474 852 S HA 0.549 5.036 4.470 0.027 0.000 0.321 852 S C -0.526 174.309 174.600 0.392 0.000 1.080 852 S CA -0.644 57.887 58.200 0.551 0.000 1.106 852 S CB 0.427 64.085 63.200 0.765 0.000 0.984 852 S HN 0.510 nan 8.310 nan 0.000 0.464 853 R N 3.737 124.389 120.500 0.253 0.000 2.437 853 R HA 0.563 4.919 4.340 0.027 0.000 0.310 853 R C -0.666 175.688 176.300 0.091 0.000 0.955 853 R CA -0.738 55.461 56.100 0.164 0.000 0.851 853 R CB 1.729 32.104 30.300 0.124 0.000 1.161 853 R HN 0.563 nan 8.270 nan 0.000 0.446 854 K N 0.749 121.191 120.400 0.071 0.000 2.495 854 K HA 0.479 4.816 4.320 0.027 0.000 0.268 854 K C -0.840 175.714 176.600 -0.077 0.000 1.008 854 K CA -0.947 55.303 56.287 -0.062 0.000 0.882 854 K CB 2.536 34.963 32.500 -0.122 0.000 1.443 854 K HN 0.631 nan 8.250 nan 0.000 0.447 855 T N -1.440 112.992 114.554 -0.204 0.000 2.916 855 T HA 0.557 4.923 4.350 0.027 0.000 0.298 855 T C -1.348 173.172 174.700 -0.300 0.000 1.031 855 T CA -0.738 61.276 62.100 -0.143 0.000 0.993 855 T CB 0.500 69.322 68.868 -0.077 0.000 1.045 855 T HN 0.398 nan 8.240 nan 0.000 0.454 856 Y N 0.990 121.236 120.300 -0.091 0.000 2.341 856 Y HA 0.667 5.233 4.550 0.027 0.000 0.338 856 Y C 0.539 176.343 175.900 -0.161 0.000 0.965 856 Y CA -1.117 56.937 58.100 -0.078 0.000 1.108 856 Y CB 1.985 40.393 38.460 -0.087 0.000 1.180 856 Y HN 0.669 nan 8.280 nan 0.000 0.458 857 R N 4.538 125.038 120.500 0.000 0.000 2.371 857 R HA 0.587 4.943 4.340 0.027 0.000 0.312 857 R C -1.690 174.536 176.300 -0.124 0.000 0.980 857 R CA -0.356 55.699 56.100 -0.075 0.000 0.867 857 R CB 0.545 30.813 30.300 -0.053 0.000 1.163 857 R HN 0.786 nan 8.270 nan 0.000 0.492 858 I N 4.837 125.265 120.570 -0.237 0.000 2.336 858 I HA 0.225 4.411 4.170 0.027 0.000 0.292 858 I C -0.222 175.760 176.117 -0.225 0.000 0.991 858 I CA -0.626 60.453 61.300 -0.369 0.000 1.227 858 I CB 1.424 38.985 38.000 -0.732 0.000 1.366 858 I HN 0.660 nan 8.210 nan 0.000 0.466 859 D N 4.061 124.374 120.400 -0.146 0.000 2.525 859 D HA 0.278 4.934 4.640 0.027 0.000 0.249 859 D C 1.149 177.425 176.300 -0.040 0.000 1.072 859 D CA -0.779 53.175 54.000 -0.077 0.000 1.067 859 D CB 0.974 41.748 40.800 -0.044 0.000 1.282 859 D HN 0.479 nan 8.370 nan 0.000 0.587 860 G N -0.762 108.025 108.800 -0.022 0.000 2.485 860 G HA2 -0.274 3.703 3.960 0.027 0.000 0.221 860 G HA3 -0.274 3.703 3.960 0.027 0.000 0.221 860 G C 1.266 176.155 174.900 -0.019 0.000 1.115 860 G CA 1.455 46.549 45.100 -0.010 0.000 0.751 860 G HN 0.607 nan 8.290 nan 0.000 0.567 861 S N -0.642 115.046 115.700 -0.020 0.000 2.522 861 S HA 0.322 4.808 4.470 0.027 0.000 0.227 861 S C 1.958 176.586 174.600 0.046 0.000 0.986 861 S CA 1.019 59.209 58.200 -0.016 0.000 0.929 861 S CB -0.179 63.018 63.200 -0.005 0.000 0.769 861 S HN 1.590 nan 8.310 nan 0.000 0.529 862 G N 0.494 109.341 108.800 0.079 0.000 2.143 862 G HA2 -0.241 3.736 3.960 0.027 0.000 0.249 862 G HA3 -0.241 3.736 3.960 0.027 0.000 0.249 862 G C -0.214 174.821 174.900 0.225 0.000 0.981 862 G CA 0.201 45.425 45.100 0.207 0.000 0.665 862 G HN 0.630 nan 8.290 nan 0.000 0.528 863 Q N -0.438 119.431 119.800 0.116 0.000 2.235 863 Q HA 0.633 4.989 4.340 0.027 0.000 0.250 863 Q C 0.284 176.331 176.000 0.078 0.000 0.909 863 Q CA -0.306 55.580 55.803 0.137 0.000 0.910 863 Q CB 1.579 30.378 28.738 0.102 0.000 1.223 863 Q HN 0.480 nan 8.270 nan 0.000 0.432 864 M N 1.957 121.650 119.600 0.155 0.000 2.114 864 M HA 0.554 5.050 4.480 0.027 0.000 0.332 864 M C -1.443 174.962 176.300 0.176 0.000 1.014 864 M CA -0.508 54.837 55.300 0.075 0.000 0.956 864 M CB 1.058 33.709 32.600 0.084 0.000 1.551 864 M HN 0.688 nan 8.290 nan 0.000 0.427 865 A N 6.785 129.664 122.820 0.098 0.000 2.274 865 A HA 0.720 5.056 4.320 0.027 0.000 0.309 865 A C -0.865 176.751 177.584 0.053 0.000 1.226 865 A CA -0.666 51.429 52.037 0.098 0.000 0.853 865 A CB 0.243 19.277 19.000 0.058 0.000 1.146 865 A HN 0.931 nan 8.150 nan 0.000 0.518 866 I N 2.031 122.623 120.570 0.037 0.000 2.378 866 I HA 0.364 4.551 4.170 0.027 0.000 0.291 866 I C -0.152 175.853 176.117 -0.186 0.000 0.992 866 I CA -0.231 60.986 61.300 -0.138 0.000 1.154 866 I CB 2.289 40.232 38.000 -0.095 0.000 1.315 866 I HN 0.498 nan 8.210 nan 0.000 0.448 867 T N 5.626 120.022 114.554 -0.264 0.000 2.779 867 T HA 0.583 4.949 4.350 0.027 0.000 0.280 867 T C -0.360 174.125 174.700 -0.359 0.000 0.987 867 T CA -0.498 61.447 62.100 -0.259 0.000 0.966 867 T CB 1.700 70.509 68.868 -0.099 0.000 0.933 867 T HN 0.225 nan 8.240 nan 0.000 0.442 868 V N 3.573 123.148 119.914 -0.565 0.000 2.588 868 V HA 0.521 4.657 4.120 0.027 0.000 0.304 868 V C -0.796 175.104 176.094 -0.324 0.000 1.042 868 V CA -0.919 61.064 62.300 -0.528 0.000 0.877 868 V CB 2.110 33.317 31.823 -1.026 0.000 0.996 868 V HN 0.852 nan 8.190 nan 0.000 0.425 869 D N 3.162 123.542 120.400 -0.033 0.000 2.620 869 D HA 0.518 5.175 4.640 0.027 0.000 0.252 869 D C -1.121 175.297 176.300 0.196 0.000 1.207 869 D CA -0.135 53.953 54.000 0.146 0.000 0.884 869 D CB 2.840 43.756 40.800 0.193 0.000 1.262 869 D HN 0.262 nan 8.370 nan 0.000 0.552 870 V N 2.343 122.415 119.914 0.263 0.000 2.555 870 V HA 0.302 4.438 4.120 0.027 0.000 0.302 870 V C 0.024 176.265 176.094 0.245 0.000 1.038 870 V CA -0.667 61.805 62.300 0.286 0.000 0.887 870 V CB 2.375 34.410 31.823 0.353 0.000 0.991 870 V HN 0.370 nan 8.190 nan 0.000 0.434 871 E N 2.641 122.971 120.200 0.215 0.000 2.183 871 E HA 0.657 5.023 4.350 0.027 0.000 0.271 871 E C -1.507 175.206 176.600 0.188 0.000 0.919 871 E CA -0.628 55.878 56.400 0.176 0.000 0.781 871 E CB 2.604 32.392 29.700 0.145 0.000 1.140 871 E HN 0.408 nan 8.360 nan 0.000 0.402 872 V N 2.078 122.104 119.914 0.187 0.000 2.444 872 V HA 0.393 4.529 4.120 0.027 0.000 0.294 872 V C 0.020 176.200 176.094 0.144 0.000 1.022 872 V CA -0.944 61.484 62.300 0.212 0.000 0.850 872 V CB 1.514 33.498 31.823 0.267 0.000 0.992 872 V HN 0.843 nan 8.190 nan 0.000 0.426 873 A N 3.451 126.315 122.820 0.073 0.000 2.546 873 A HA 0.296 4.632 4.320 0.027 0.000 0.243 873 A C 1.679 179.327 177.584 0.108 0.000 1.063 873 A CA 0.629 52.702 52.037 0.059 0.000 0.757 873 A CB 0.267 19.269 19.000 0.003 0.000 0.991 873 A HN 1.388 nan 8.150 nan 0.000 0.503 874 S N 1.358 117.120 115.700 0.103 0.000 2.400 874 S HA -0.189 4.297 4.470 0.027 0.000 0.232 874 S C 0.932 175.612 174.600 0.134 0.000 1.025 874 S CA 1.559 59.838 58.200 0.132 0.000 0.993 874 S CB -0.362 62.896 63.200 0.096 0.000 0.808 874 S HN 0.830 nan 8.310 nan 0.000 0.478 875 D N 0.254 120.706 120.400 0.087 0.000 2.342 875 D HA 0.169 4.826 4.640 0.027 0.000 0.221 875 D C 0.449 176.783 176.300 0.057 0.000 1.101 875 D CA -0.002 54.033 54.000 0.059 0.000 0.837 875 D CB -0.349 40.473 40.800 0.037 0.000 0.938 875 D HN 0.321 nan 8.370 nan 0.000 0.508 876 T N 1.026 115.637 114.554 0.095 0.000 2.929 876 T HA 0.435 4.802 4.350 0.027 0.000 0.284 876 T C -2.619 172.183 174.700 0.170 0.000 1.014 876 T CA -2.001 60.175 62.100 0.126 0.000 1.051 876 T CB 1.247 70.199 68.868 0.140 0.000 1.028 876 T HN -0.175 nan 8.240 nan 0.000 0.485 877 P HA 0.107 nan 4.420 nan 0.000 0.267 877 P C -0.655 176.949 177.300 0.508 0.000 1.200 877 P CA 0.083 63.291 63.100 0.179 0.000 0.772 877 P CB -0.033 31.782 31.700 0.192 0.000 0.855 878 H N 3.188 122.615 119.070 0.594 0.000 3.034 878 H HA 0.082 4.654 4.556 0.027 0.000 0.324 878 H C -1.610 174.057 175.328 0.564 0.000 1.015 878 H CA -1.356 54.982 56.048 0.483 0.000 1.429 878 H CB -0.424 29.562 29.762 0.374 0.000 1.429 878 H HN 0.382 nan 8.280 nan 0.000 0.585 879 P HA 0.025 nan 4.420 nan 0.000 0.277 879 P C 0.157 177.344 177.300 -0.187 0.000 1.240 879 P CA -0.332 62.830 63.100 0.104 0.000 0.798 879 P CB 1.200 32.832 31.700 -0.113 0.000 0.979 880 A N 3.344 125.776 122.820 -0.646 0.000 1.972 880 A HA -0.115 4.221 4.320 0.027 0.000 0.219 880 A C 1.064 178.256 177.584 -0.653 0.000 1.169 880 A CA 1.364 52.989 52.037 -0.686 0.000 0.635 880 A CB -0.569 17.789 19.000 -1.071 0.000 0.810 880 A HN 0.762 nan 8.150 nan 0.000 0.446 881 R N -3.002 117.161 120.500 -0.563 0.000 2.728 881 R HA 0.721 5.077 4.340 0.027 0.000 0.274 881 R C -1.726 174.354 176.300 -0.367 0.000 1.030 881 R CA -0.831 54.967 56.100 -0.504 0.000 0.876 881 R CB 0.765 30.740 30.300 -0.542 0.000 1.259 881 R HN -0.005 nan 8.270 nan 0.000 0.468 882 I N 1.109 121.499 120.570 -0.301 0.000 2.521 882 I HA 0.646 4.833 4.170 0.027 0.000 0.277 882 I C -0.344 175.553 176.117 -0.366 0.000 1.054 882 I CA -0.267 60.887 61.300 -0.244 0.000 1.117 882 I CB 1.813 39.750 38.000 -0.105 0.000 1.217 882 I HN 0.965 nan 8.210 nan 0.000 0.469 883 G N 5.508 114.029 108.800 -0.466 0.000 2.650 883 G HA2 0.741 4.717 3.960 0.027 0.000 0.310 883 G HA3 0.741 4.717 3.960 0.027 0.000 0.310 883 G C -1.662 173.067 174.900 -0.285 0.000 1.270 883 G CA -0.594 44.262 45.100 -0.408 0.000 0.810 883 G HN 0.244 nan 8.290 nan 0.000 0.493 884 L N 0.798 121.909 121.223 -0.187 0.000 2.309 884 L HA 0.685 5.041 4.340 0.027 0.000 0.261 884 L C -0.564 176.215 176.870 -0.152 0.000 1.021 884 L CA -1.115 53.649 54.840 -0.126 0.000 0.823 884 L CB 2.444 44.511 42.059 0.013 0.000 1.366 884 L HN 0.816 nan 8.230 nan 0.000 0.423 885 N N 0.407 119.049 118.700 -0.096 0.000 2.708 885 N HA 0.688 5.444 4.740 0.027 0.000 0.257 885 N C -1.368 174.166 175.510 0.040 0.000 1.373 885 N CA -0.545 52.482 53.050 -0.039 0.000 0.843 885 N CB 2.348 40.825 38.487 -0.016 0.000 1.503 885 N HN 0.878 nan 8.380 nan 0.000 0.504 886 C N -1.248 118.097 119.300 0.077 0.000 3.303 886 C HA 0.543 5.019 4.460 0.027 0.000 0.340 886 C C -1.277 173.538 174.990 -0.292 0.000 1.274 886 C CA -0.820 58.185 59.018 -0.022 0.000 1.234 886 C CB 0.949 28.698 27.740 0.014 0.000 1.532 886 C HN 0.860 nan 8.230 nan 0.000 0.483 887 Q N 1.722 121.104 119.800 -0.695 0.000 2.368 887 Q HA 0.643 5.000 4.340 0.027 0.000 0.256 887 Q C -0.885 174.802 176.000 -0.522 0.000 0.980 887 Q CA -0.432 54.693 55.803 -1.131 0.000 0.887 887 Q CB 0.825 28.496 28.738 -1.778 0.000 1.221 887 Q HN 0.773 nan 8.270 nan 0.000 0.458 888 L N 2.442 123.467 121.223 -0.330 0.000 2.417 888 L HA 0.240 4.596 4.340 0.027 0.000 0.268 888 L C 1.172 177.967 176.870 -0.125 0.000 1.158 888 L CA -0.141 54.629 54.840 -0.117 0.000 0.819 888 L CB 0.746 42.844 42.059 0.065 0.000 1.112 888 L HN 0.799 nan 8.230 nan 0.000 0.458 889 A N 1.805 124.583 122.820 -0.069 0.000 1.970 889 A HA -0.074 4.262 4.320 0.027 0.000 0.216 889 A C 1.085 178.657 177.584 -0.019 0.000 1.170 889 A CA 0.474 52.466 52.037 -0.074 0.000 0.645 889 A CB -0.232 18.714 19.000 -0.091 0.000 0.816 889 A HN 0.796 nan 8.150 nan 0.000 0.447 890 Q N -0.162 119.666 119.800 0.048 0.000 2.354 890 Q HA 0.433 4.789 4.340 0.027 0.000 0.244 890 Q C -1.189 174.866 176.000 0.091 0.000 0.969 890 Q CA 0.055 55.885 55.803 0.046 0.000 0.885 890 Q CB 0.975 29.758 28.738 0.075 0.000 1.241 890 Q HN 0.113 nan 8.270 nan 0.000 0.461 891 V N 3.413 123.349 119.914 0.037 0.000 2.376 891 V HA 0.737 4.873 4.120 0.027 0.000 0.287 891 V C -0.508 175.579 176.094 -0.012 0.000 1.015 891 V CA -0.253 62.097 62.300 0.083 0.000 0.834 891 V CB 0.777 32.624 31.823 0.040 0.000 1.001 891 V HN 0.901 nan 8.190 nan 0.000 0.428 892 A N 3.334 126.115 122.820 -0.065 0.000 2.313 892 A HA 0.742 5.079 4.320 0.027 0.000 0.323 892 A C 0.714 178.311 177.584 0.021 0.000 1.133 892 A CA -0.445 51.462 52.037 -0.216 0.000 0.847 892 A CB 1.357 19.971 19.000 -0.643 0.000 1.308 892 A HN 0.780 nan 8.150 nan 0.000 0.475 893 E N -0.342 119.860 120.200 0.002 0.000 2.076 893 E HA -0.024 4.342 4.350 0.027 0.000 0.190 893 E C 0.212 176.885 176.600 0.123 0.000 0.979 893 E CA 0.847 57.283 56.400 0.062 0.000 0.807 893 E CB 0.178 29.895 29.700 0.028 0.000 0.761 893 E HN 0.459 nan 8.360 nan 0.000 0.454 894 R N -0.084 120.496 120.500 0.134 0.000 2.832 894 R HA 0.498 4.854 4.340 0.027 0.000 0.271 894 R C -0.964 175.523 176.300 0.312 0.000 0.996 894 R CA -0.898 55.315 56.100 0.189 0.000 0.977 894 R CB 1.734 32.112 30.300 0.130 0.000 1.168 894 R HN -0.147 nan 8.270 nan 0.000 0.482 895 V N 2.094 122.208 119.914 0.333 0.000 2.531 895 V HA 0.390 4.526 4.120 0.027 0.000 0.301 895 V C -0.288 176.089 176.094 0.472 0.000 1.034 895 V CA -0.916 61.626 62.300 0.403 0.000 0.865 895 V CB 1.948 33.953 31.823 0.304 0.000 0.995 895 V HN 0.658 nan 8.190 nan 0.000 0.424 896 N N 4.461 123.417 118.700 0.427 0.000 2.346 896 N HA 0.534 5.290 4.740 0.027 0.000 0.289 896 N C -1.418 174.351 175.510 0.431 0.000 1.027 896 N CA -0.422 52.841 53.050 0.355 0.000 0.864 896 N CB 2.712 41.300 38.487 0.168 0.000 1.370 896 N HN 0.817 nan 8.380 nan 0.000 0.481 897 W N 3.150 124.486 121.300 0.061 0.000 3.118 897 W HA 0.582 5.258 4.660 0.027 0.000 0.328 897 W C -2.052 174.431 176.519 -0.059 0.000 1.239 897 W CA -1.101 56.251 57.345 0.012 0.000 1.176 897 W CB 0.724 30.202 29.460 0.031 0.000 1.433 897 W HN 0.226 nan 8.180 nan 0.000 0.562 898 L N 4.029 125.227 121.223 -0.041 0.000 2.301 898 L HA 0.898 5.254 4.340 0.027 0.000 0.278 898 L C -0.015 176.719 176.870 -0.226 0.000 1.022 898 L CA 0.351 54.987 54.840 -0.340 0.000 0.854 898 L CB 0.516 42.455 42.059 -0.200 0.000 1.226 898 L HN 0.981 nan 8.230 nan 0.000 0.429 899 G N 3.561 112.106 108.800 -0.425 0.000 2.335 899 G HA2 0.234 4.210 3.960 0.027 0.000 0.291 899 G HA3 0.234 4.210 3.960 0.027 0.000 0.291 899 G C -1.663 173.323 174.900 0.143 0.000 1.261 899 G CA -1.042 44.080 45.100 0.037 0.000 0.871 899 G HN 0.406 nan 8.290 nan 0.000 0.491 900 L N 0.843 122.266 121.223 0.334 0.000 2.397 900 L HA 0.644 5.000 4.340 0.027 0.000 0.271 900 L C 1.099 178.112 176.870 0.239 0.000 1.148 900 L CA 0.741 55.735 54.840 0.256 0.000 0.825 900 L CB 0.791 42.936 42.059 0.144 0.000 1.117 900 L HN 1.211 nan 8.230 nan 0.000 0.456 901 G N 2.250 110.994 108.800 -0.095 0.000 2.348 901 G HA2 0.211 4.187 3.960 0.027 0.000 0.296 901 G HA3 0.211 4.187 3.960 0.027 0.000 0.296 901 G C -2.729 171.414 174.900 -1.261 0.000 1.258 901 G CA -0.227 44.503 45.100 -0.616 0.000 0.868 901 G HN 0.313 nan 8.290 nan 0.000 0.488 902 P HA 0.065 nan 4.420 nan 0.000 0.227 902 P C 0.518 177.627 177.300 -0.317 0.000 1.161 902 P CA 0.710 63.149 63.100 -1.102 0.000 0.788 902 P CB 0.355 31.529 31.700 -0.876 0.000 0.822 903 Q N 0.487 120.097 119.800 -0.317 0.000 2.396 903 Q HA 0.133 4.490 4.340 0.027 0.000 0.221 903 Q C 0.375 176.270 176.000 -0.175 0.000 1.025 903 Q CA -0.586 55.106 55.803 -0.185 0.000 0.946 903 Q CB 0.551 29.196 28.738 -0.155 0.000 1.224 903 Q HN 0.138 nan 8.270 nan 0.000 0.539 904 E N 1.224 121.327 120.200 -0.161 0.000 2.529 904 E HA -0.119 4.247 4.350 0.027 0.000 0.259 904 E C -1.116 175.403 176.600 -0.135 0.000 0.966 904 E CA 0.284 56.577 56.400 -0.179 0.000 0.937 904 E CB 0.225 29.891 29.700 -0.056 0.000 0.923 904 E HN 0.574 nan 8.360 nan 0.000 0.468 905 N N 2.747 121.291 118.700 -0.260 0.000 2.324 905 N HA 0.301 5.058 4.740 0.027 0.000 0.285 905 N C -1.854 173.425 175.510 -0.385 0.000 1.076 905 N CA -0.670 52.277 53.050 -0.171 0.000 0.864 905 N CB 0.725 39.135 38.487 -0.128 0.000 1.632 905 N HN 0.217 nan 8.380 nan 0.000 0.478 906 Y N 0.423 120.631 120.300 -0.154 0.000 2.630 906 Y HA 0.514 5.080 4.550 0.027 0.000 0.337 906 Y C -1.596 174.224 175.900 -0.134 0.000 1.051 906 Y CA -2.088 55.907 58.100 -0.175 0.000 1.121 906 Y CB 1.733 40.088 38.460 -0.175 0.000 1.299 906 Y HN 0.439 nan 8.280 nan 0.000 0.498 907 P HA -0.175 nan 4.420 nan 0.000 0.216 907 P C 0.393 177.518 177.300 -0.292 0.000 1.153 907 P CA 2.149 65.255 63.100 0.010 0.000 0.858 907 P CB 0.198 32.023 31.700 0.208 0.000 0.789 908 D N -2.253 117.771 120.400 -0.627 0.000 2.342 908 D HA 0.002 4.658 4.640 0.027 0.000 0.221 908 D C 0.689 176.833 176.300 -0.259 0.000 1.101 908 D CA 0.085 53.540 54.000 -0.909 0.000 0.837 908 D CB -0.242 39.835 40.800 -1.205 0.000 0.938 908 D HN 0.123 nan 8.370 nan 0.000 0.508 909 R N 1.081 121.526 120.500 -0.092 0.000 2.684 909 R HA 0.199 4.556 4.340 0.027 0.000 0.252 909 R C -0.623 175.706 176.300 0.049 0.000 1.628 909 R CA -0.180 55.934 56.100 0.023 0.000 1.622 909 R CB 0.059 30.379 30.300 0.033 0.000 1.418 909 R HN 0.103 nan 8.270 nan 0.000 0.697 910 L N -1.610 119.650 121.223 0.061 0.000 3.410 910 L HA 0.331 4.688 4.340 0.027 0.000 0.309 910 L C 1.285 178.216 176.870 0.101 0.000 1.254 910 L CA 0.083 54.959 54.840 0.061 0.000 1.048 910 L CB 0.167 42.246 42.059 0.032 0.000 1.442 910 L HN 0.091 nan 8.230 nan 0.000 0.615 911 T N -2.555 112.088 114.554 0.148 0.000 2.867 911 T HA 0.005 4.372 4.350 0.027 0.000 0.268 911 T C 1.771 176.540 174.700 0.116 0.000 1.057 911 T CA 1.325 63.544 62.100 0.197 0.000 1.136 911 T CB -0.323 68.716 68.868 0.285 0.000 0.874 911 T HN 0.390 nan 8.240 nan 0.000 0.466 912 A N 1.584 124.473 122.820 0.115 0.000 2.119 912 A HA 0.646 4.982 4.320 0.027 0.000 0.216 912 A C 1.618 179.278 177.584 0.128 0.000 1.152 912 A CA 0.503 52.548 52.037 0.014 0.000 0.708 912 A CB -0.958 18.206 19.000 0.275 0.000 0.805 912 A HN 0.846 nan 8.150 nan 0.000 0.460 913 A N -1.115 121.736 122.820 0.050 0.000 2.425 913 A HA 0.435 4.771 4.320 0.027 0.000 0.242 913 A C 0.032 177.639 177.584 0.037 0.000 1.077 913 A CA 0.021 52.053 52.037 -0.010 0.000 0.781 913 A CB -0.125 18.855 19.000 -0.033 0.000 1.020 913 A HN 0.487 nan 8.150 nan 0.000 0.494 914 C N 0.552 119.871 119.300 0.031 0.000 2.561 914 C HA 0.544 5.020 4.460 0.027 0.000 0.319 914 C C -0.196 174.900 174.990 0.177 0.000 1.198 914 C CA -0.490 58.597 59.018 0.114 0.000 1.665 914 C CB 0.850 28.677 27.740 0.146 0.000 2.258 914 C HN 0.787 nan 8.230 nan 0.000 0.493 915 F N 3.866 123.650 119.950 -0.276 0.000 2.445 915 F HA 0.496 5.039 4.527 0.027 0.000 0.359 915 F C 0.346 175.808 175.800 -0.563 0.000 1.101 915 F CA 1.153 58.847 58.000 -0.511 0.000 1.177 915 F CB -0.024 38.189 39.000 -1.311 0.000 1.110 915 F HN 0.620 nan 8.300 nan 0.000 0.522 916 D N 3.300 123.033 120.400 -1.112 0.000 2.879 916 D HA 0.178 4.834 4.640 0.027 0.000 0.346 916 D C -1.666 173.706 176.300 -1.545 0.000 1.390 916 D CA -0.730 52.516 54.000 -1.258 0.000 0.838 916 D CB 1.504 41.458 40.800 -1.409 0.000 1.416 916 D HN 0.503 nan 8.370 nan 0.000 0.493 917 R N 0.665 120.365 120.500 -1.335 0.000 2.255 917 R HA 0.552 4.908 4.340 0.027 0.000 0.326 917 R C -1.433 174.142 176.300 -1.208 0.000 0.986 917 R CA -0.250 55.228 56.100 -1.036 0.000 0.847 917 R CB 0.337 30.279 30.300 -0.598 0.000 1.111 917 R HN 0.292 nan 8.270 nan 0.000 0.452 918 W N 2.615 123.396 121.300 -0.864 0.000 2.706 918 W HA 0.422 5.099 4.660 0.027 0.000 0.346 918 W C -0.541 175.597 176.519 -0.635 0.000 1.071 918 W CA -0.710 56.079 57.345 -0.927 0.000 1.206 918 W CB 1.789 30.257 29.460 -1.652 0.000 1.413 918 W HN 0.398 nan 8.180 nan 0.000 0.542 919 D N 2.750 123.113 120.400 -0.063 0.000 2.616 919 D HA 0.452 5.108 4.640 0.027 0.000 0.238 919 D C -1.525 174.870 176.300 0.160 0.000 1.354 919 D CA -0.136 53.915 54.000 0.085 0.000 0.970 919 D CB 1.082 41.895 40.800 0.022 0.000 1.369 919 D HN 0.389 nan 8.370 nan 0.000 0.585 920 L N 3.075 124.466 121.223 0.280 0.000 2.327 920 L HA 0.556 4.912 4.340 0.027 0.000 0.258 920 L C -2.297 174.691 176.870 0.197 0.000 1.024 920 L CA -2.198 52.777 54.840 0.224 0.000 0.825 920 L CB 2.749 44.983 42.059 0.291 0.000 1.386 920 L HN 0.183 nan 8.230 nan 0.000 0.417 921 P HA 0.012 nan 4.420 nan 0.000 0.269 921 P C 0.534 177.919 177.300 0.141 0.000 1.209 921 P CA -0.297 62.879 63.100 0.125 0.000 0.776 921 P CB 0.826 32.579 31.700 0.088 0.000 0.876 922 L N 3.455 124.769 121.223 0.152 0.000 2.081 922 L HA -0.246 4.110 4.340 0.027 0.000 0.212 922 L C 2.226 179.150 176.870 0.090 0.000 1.080 922 L CA 2.706 57.625 54.840 0.131 0.000 0.754 922 L CB -1.464 40.692 42.059 0.161 0.000 0.893 922 L HN 0.450 nan 8.230 nan 0.000 0.433 923 S N -1.832 113.923 115.700 0.091 0.000 2.442 923 S HA -0.176 4.311 4.470 0.027 0.000 0.236 923 S C 1.594 176.269 174.600 0.125 0.000 1.007 923 S CA 1.110 59.377 58.200 0.112 0.000 0.965 923 S CB -0.784 62.479 63.200 0.104 0.000 0.773 923 S HN 0.536 nan 8.310 nan 0.000 0.504 924 D N 1.200 121.652 120.400 0.085 0.000 2.371 924 D HA 0.079 4.735 4.640 0.027 0.000 0.221 924 D C 1.219 177.532 176.300 0.022 0.000 0.986 924 D CA 0.641 54.670 54.000 0.049 0.000 0.899 924 D CB -0.138 40.696 40.800 0.055 0.000 0.902 924 D HN 0.411 nan 8.370 nan 0.000 0.530 925 M N -0.433 119.191 119.600 0.040 0.000 2.494 925 M HA 0.066 4.562 4.480 0.027 0.000 0.232 925 M C -0.079 176.230 176.300 0.016 0.000 1.137 925 M CA -0.051 55.228 55.300 -0.034 0.000 1.012 925 M CB -0.693 31.873 32.600 -0.056 0.000 1.567 925 M HN -0.052 nan 8.290 nan 0.000 0.486 926 Y N -0.024 120.247 120.300 -0.048 0.000 2.376 926 Y HA 0.502 5.068 4.550 0.027 0.000 0.340 926 Y C -0.791 175.085 175.900 -0.040 0.000 0.965 926 Y CA -0.961 57.134 58.100 -0.008 0.000 1.078 926 Y CB 1.342 39.856 38.460 0.090 0.000 1.193 926 Y HN -0.137 nan 8.280 nan 0.000 0.452 927 T N 9.049 123.199 114.554 -0.674 0.000 2.743 927 T HA 0.280 4.646 4.350 0.027 0.000 0.292 927 T C -2.614 171.418 174.700 -1.114 0.000 0.972 927 T CA -1.481 60.163 62.100 -0.761 0.000 0.967 927 T CB 1.041 69.508 68.868 -0.670 0.000 0.926 927 T HN 0.465 nan 8.240 nan 0.000 0.459 928 P HA 0.100 nan 4.420 nan 0.000 0.228 928 P C -0.560 176.727 177.300 -0.022 0.000 1.748 928 P CA -0.409 62.353 63.100 -0.563 0.000 0.909 928 P CB -0.755 30.754 31.700 -0.318 0.000 1.882 929 Y N -0.346 119.986 120.300 0.054 0.000 2.811 929 Y HA -0.117 4.449 4.550 0.027 0.000 0.334 929 Y C 2.295 178.298 175.900 0.172 0.000 1.247 929 Y CA -0.401 57.787 58.100 0.147 0.000 1.526 929 Y CB 0.471 38.897 38.460 -0.057 0.000 1.284 929 Y HN -0.098 nan 8.280 nan 0.000 0.586 930 V N 3.482 123.665 119.914 0.449 0.000 2.332 930 V HA -0.298 3.838 4.120 0.027 0.000 0.248 930 V C 0.497 176.751 176.094 0.266 0.000 1.055 930 V CA 1.370 63.885 62.300 0.358 0.000 1.038 930 V CB -0.582 31.480 31.823 0.398 0.000 0.651 930 V HN 0.574 nan 8.190 nan 0.000 0.450 931 F N 3.067 123.054 119.950 0.062 0.000 2.371 931 F HA 0.540 5.083 4.527 0.027 0.000 0.363 931 F C -2.618 173.182 175.800 -0.001 0.000 1.122 931 F CA -3.486 54.488 58.000 -0.044 0.000 1.129 931 F CB 0.852 39.703 39.000 -0.249 0.000 1.173 931 F HN -0.029 nan 8.300 nan 0.000 0.489 932 P HA 0.323 nan 4.420 nan 0.000 0.275 932 P C -1.121 175.845 177.300 -0.556 0.000 1.228 932 P CA -0.011 62.827 63.100 -0.437 0.000 0.786 932 P CB 1.398 32.886 31.700 -0.355 0.000 0.927 933 S N -0.053 115.517 115.700 -0.217 0.000 2.757 933 S HA 0.468 4.955 4.470 0.027 0.000 0.285 933 S C -0.770 173.809 174.600 -0.035 0.000 1.196 933 S CA -0.934 57.180 58.200 -0.143 0.000 0.856 933 S CB 0.324 63.462 63.200 -0.102 0.000 1.212 933 S HN 0.325 nan 8.310 nan 0.000 0.516 934 E N 1.265 121.458 120.200 -0.011 0.000 2.529 934 E HA 0.335 4.701 4.350 0.027 0.000 0.259 934 E C -0.219 176.427 176.600 0.076 0.000 0.966 934 E CA 0.792 57.217 56.400 0.041 0.000 0.937 934 E CB -0.338 29.412 29.700 0.083 0.000 0.923 934 E HN 0.774 nan 8.360 nan 0.000 0.468 935 N N 1.538 120.324 118.700 0.144 0.000 3.046 935 N HA 0.503 5.259 4.740 0.027 0.000 0.243 935 N C 0.209 175.789 175.510 0.118 0.000 1.452 935 N CA -0.592 52.592 53.050 0.222 0.000 0.882 935 N CB 0.883 39.516 38.487 0.242 0.000 1.425 935 N HN 0.707 nan 8.380 nan 0.000 0.517 936 G N -1.330 107.503 108.800 0.056 0.000 2.184 936 G HA2 -0.271 3.706 3.960 0.027 0.000 0.264 936 G HA3 -0.271 3.706 3.960 0.027 0.000 0.264 936 G C -0.210 174.443 174.900 -0.412 0.000 0.975 936 G CA 0.419 45.426 45.100 -0.155 0.000 0.642 936 G HN 0.703 nan 8.290 nan 0.000 0.536 937 L N 0.101 120.999 121.223 -0.541 0.000 2.506 937 L HA 0.631 4.987 4.340 0.027 0.000 0.281 937 L C 0.693 176.980 176.870 -0.971 0.000 1.228 937 L CA 0.503 54.769 54.840 -0.957 0.000 0.850 937 L CB 0.520 41.702 42.059 -1.463 0.000 1.110 937 L HN 0.264 nan 8.230 nan 0.000 0.496 938 R N 2.586 122.435 120.500 -1.086 0.000 2.532 938 R HA 0.494 4.850 4.340 0.027 0.000 0.297 938 R C -1.032 174.912 176.300 -0.594 0.000 0.984 938 R CA -0.277 55.313 56.100 -0.849 0.000 0.884 938 R CB 1.428 31.097 30.300 -1.051 0.000 1.182 938 R HN 0.685 nan 8.270 nan 0.000 0.442 939 C N 0.315 119.418 119.300 -0.328 0.000 2.380 939 C HA 0.728 5.204 4.460 0.027 0.000 0.393 939 C C 1.314 176.283 174.990 -0.035 0.000 1.284 939 C CA 0.067 58.972 59.018 -0.188 0.000 2.033 939 C CB 1.365 29.019 27.740 -0.142 0.000 2.165 939 C HN 1.028 nan 8.230 nan 0.000 0.540 940 G N 1.635 110.429 108.800 -0.010 0.000 2.283 940 G HA2 -0.190 3.787 3.960 0.027 0.000 0.280 940 G HA3 -0.190 3.787 3.960 0.027 0.000 0.280 940 G C -0.040 174.923 174.900 0.105 0.000 1.029 940 G CA 0.619 45.767 45.100 0.079 0.000 0.840 940 G HN 0.794 nan 8.290 nan 0.000 0.505 941 T N -0.098 114.380 114.554 -0.127 0.000 2.806 941 T HA 0.529 4.896 4.350 0.027 0.000 0.290 941 T C 1.317 175.726 174.700 -0.485 0.000 0.966 941 T CA -0.550 61.413 62.100 -0.229 0.000 1.060 941 T CB 1.435 70.140 68.868 -0.272 0.000 0.927 941 T HN 0.187 nan 8.240 nan 0.000 0.485 942 R N 1.426 121.864 120.500 -0.102 0.000 2.254 942 R HA 0.287 4.643 4.340 0.027 0.000 0.193 942 R C 0.534 176.893 176.300 0.099 0.000 0.929 942 R CA 0.244 56.359 56.100 0.025 0.000 1.038 942 R CB 0.292 30.720 30.300 0.213 0.000 1.009 942 R HN 0.733 nan 8.270 nan 0.000 0.512 943 E N 0.460 120.711 120.200 0.086 0.000 2.321 943 E HA 0.332 4.698 4.350 0.027 0.000 0.281 943 E C -1.809 174.924 176.600 0.222 0.000 0.910 943 E CA -0.672 55.853 56.400 0.208 0.000 0.770 943 E CB 1.481 31.273 29.700 0.153 0.000 1.225 943 E HN -0.086 nan 8.360 nan 0.000 0.417 944 L N 3.994 125.408 121.223 0.319 0.000 2.385 944 L HA 0.619 4.976 4.340 0.027 0.000 0.273 944 L C -1.797 175.268 176.870 0.326 0.000 0.990 944 L CA -0.386 54.577 54.840 0.205 0.000 0.821 944 L CB 1.805 43.823 42.059 -0.069 0.000 1.279 944 L HN 0.506 nan 8.230 nan 0.000 0.412 945 N N 4.235 123.102 118.700 0.279 0.000 2.296 945 N HA 0.432 5.188 4.740 0.027 0.000 0.294 945 N C -2.021 173.722 175.510 0.388 0.000 1.033 945 N CA -0.272 52.943 53.050 0.276 0.000 0.839 945 N CB 2.301 40.888 38.487 0.167 0.000 1.395 945 N HN 0.620 nan 8.380 nan 0.000 0.479 946 Y N 0.972 121.413 120.300 0.236 0.000 2.323 946 Y HA 0.393 4.959 4.550 0.027 0.000 0.322 946 Y C 0.542 176.550 175.900 0.180 0.000 1.133 946 Y CA 0.199 58.438 58.100 0.230 0.000 1.093 946 Y CB 0.609 39.266 38.460 0.328 0.000 1.203 946 Y HN 0.860 nan 8.280 nan 0.000 0.427 947 G N 6.531 115.120 108.800 -0.353 0.000 2.574 947 G HA2 -0.295 3.681 3.960 0.027 0.000 0.286 947 G HA3 -0.295 3.681 3.960 0.027 0.000 0.286 947 G C -1.669 173.106 174.900 -0.208 0.000 1.212 947 G CA 0.059 44.967 45.100 -0.320 0.000 0.979 947 G HN 0.583 nan 8.290 nan 0.000 0.557 948 P HA 0.079 nan 4.420 nan 0.000 0.233 948 P C 0.302 177.358 177.300 -0.407 0.000 1.167 948 P CA 0.970 63.852 63.100 -0.364 0.000 0.770 948 P CB -0.053 31.362 31.700 -0.474 0.000 0.837 949 H N 0.435 119.420 119.070 -0.142 0.000 2.487 949 H HA 0.431 5.003 4.556 0.027 0.000 0.333 949 H C 0.041 175.084 175.328 -0.476 0.000 1.114 949 H CA 0.014 55.840 56.048 -0.372 0.000 1.310 949 H CB 1.474 30.774 29.762 -0.770 0.000 1.462 949 H HN 0.110 nan 8.280 nan 0.000 0.516 950 Q N 2.884 122.428 119.800 -0.427 0.000 2.305 950 Q HA 0.259 4.616 4.340 0.027 0.000 0.271 950 Q C -1.592 174.194 176.000 -0.357 0.000 1.046 950 Q CA -0.711 54.953 55.803 -0.232 0.000 0.798 950 Q CB 2.069 30.789 28.738 -0.029 0.000 1.286 950 Q HN 0.599 nan 8.270 nan 0.000 0.435 951 W N 3.518 124.767 121.300 -0.084 0.000 2.702 951 W HA 0.588 5.264 4.660 0.027 0.000 0.331 951 W C -0.237 176.347 176.519 0.108 0.000 1.049 951 W CA -0.818 56.442 57.345 -0.142 0.000 1.230 951 W CB 2.157 31.332 29.460 -0.475 0.000 1.408 951 W HN 0.541 nan 8.180 nan 0.000 0.492 952 R N 0.302 121.027 120.500 0.376 0.000 2.807 952 R HA 0.800 5.156 4.340 0.027 0.000 0.276 952 R C 0.205 176.779 176.300 0.458 0.000 0.979 952 R CA -0.164 56.182 56.100 0.410 0.000 0.928 952 R CB 2.380 32.836 30.300 0.260 0.000 1.191 952 R HN 0.758 nan 8.270 nan 0.000 0.471 953 G N 0.601 109.681 108.800 0.466 0.000 2.470 953 G HA2 0.006 3.982 3.960 0.027 0.000 0.145 953 G HA3 0.006 3.982 3.960 0.027 0.000 0.145 953 G C -1.774 173.315 174.900 0.315 0.000 1.223 953 G CA -0.373 44.973 45.100 0.411 0.000 1.058 953 G HN 0.512 nan 8.290 nan 0.000 0.469 954 D N 0.115 120.714 120.400 0.332 0.000 2.381 954 D HA 0.604 5.260 4.640 0.027 0.000 0.245 954 D C -0.594 175.763 176.300 0.095 0.000 1.297 954 D CA -0.439 53.628 54.000 0.111 0.000 0.931 954 D CB 0.133 41.003 40.800 0.117 0.000 1.334 954 D HN 0.610 nan 8.370 nan 0.000 0.535 955 F N -0.278 119.668 119.950 -0.007 0.000 2.824 955 F HA 0.721 5.264 4.527 0.027 0.000 0.330 955 F C -1.184 174.575 175.800 -0.068 0.000 1.175 955 F CA -1.031 56.902 58.000 -0.111 0.000 0.974 955 F CB 0.758 39.684 39.000 -0.124 0.000 1.430 955 F HN -0.159 nan 8.300 nan 0.000 0.507 956 Q N 1.530 121.398 119.800 0.114 0.000 2.345 956 Q HA 0.635 4.991 4.340 0.027 0.000 0.268 956 Q C -1.299 174.766 176.000 0.108 0.000 1.054 956 Q CA -0.510 55.270 55.803 -0.039 0.000 0.835 956 Q CB 2.703 31.322 28.738 -0.198 0.000 1.339 956 Q HN 0.857 nan 8.270 nan 0.000 0.447 957 F N -1.024 118.801 119.950 -0.208 0.000 2.686 957 F HA 0.772 5.316 4.527 0.027 0.000 0.311 957 F C -1.437 174.148 175.800 -0.359 0.000 1.128 957 F CA -1.079 56.769 58.000 -0.253 0.000 0.946 957 F CB 1.587 40.468 39.000 -0.198 0.000 1.336 957 F HN 0.572 nan 8.300 nan 0.000 0.457 958 N N 1.219 119.738 118.700 -0.302 0.000 2.416 958 N HA 0.759 5.516 4.740 0.027 0.000 0.276 958 N C -2.064 173.386 175.510 -0.099 0.000 1.261 958 N CA -0.787 52.050 53.050 -0.354 0.000 0.790 958 N CB 2.637 40.938 38.487 -0.310 0.000 1.554 958 N HN 1.138 nan 8.380 nan 0.000 0.481 959 I N 0.070 120.574 120.570 -0.109 0.000 2.685 959 I HA 0.617 4.804 4.170 0.027 0.000 0.289 959 I C -1.549 174.493 176.117 -0.125 0.000 1.292 959 I CA 0.104 61.318 61.300 -0.144 0.000 1.050 959 I CB 1.272 39.121 38.000 -0.250 0.000 1.301 959 I HN 1.077 nan 8.210 nan 0.000 0.425 960 S N 6.259 121.894 115.700 -0.107 0.000 2.655 960 S HA 0.522 5.008 4.470 0.027 0.000 0.266 960 S C -0.327 174.163 174.600 -0.182 0.000 1.149 960 S CA -0.980 57.145 58.200 -0.124 0.000 0.818 960 S CB 1.760 64.952 63.200 -0.014 0.000 1.130 960 S HN 0.635 nan 8.310 nan 0.000 0.476 961 R N -0.156 120.059 120.500 -0.475 0.000 2.356 961 R HA 0.254 4.610 4.340 0.027 0.000 0.234 961 R C -0.895 175.084 176.300 -0.535 0.000 0.929 961 R CA 0.265 56.079 56.100 -0.478 0.000 1.084 961 R CB -0.767 29.153 30.300 -0.634 0.000 1.105 961 R HN 0.653 nan 8.270 nan 0.000 0.515 962 Y N 0.430 120.692 120.300 -0.064 0.000 2.341 962 Y HA 0.201 4.767 4.550 0.027 0.000 0.338 962 Y C 0.794 176.489 175.900 -0.341 0.000 0.965 962 Y CA -1.053 56.925 58.100 -0.204 0.000 1.108 962 Y CB 1.426 39.715 38.460 -0.286 0.000 1.180 962 Y HN -0.085 nan 8.280 nan 0.000 0.458 963 S N 1.577 116.944 115.700 -0.555 0.000 2.600 963 S HA 0.055 4.541 4.470 0.027 0.000 0.265 963 S C 0.922 175.189 174.600 -0.555 0.000 1.325 963 S CA -0.796 56.717 58.200 -1.144 0.000 1.002 963 S CB 1.097 63.422 63.200 -1.458 0.000 0.921 963 S HN 0.721 nan 8.310 nan 0.000 0.554 964 Q N 0.636 120.123 119.800 -0.521 0.000 2.135 964 Q HA -0.214 4.142 4.340 0.027 0.000 0.204 964 Q C 2.225 178.087 176.000 -0.231 0.000 0.981 964 Q CA 1.879 57.515 55.803 -0.278 0.000 0.856 964 Q CB -0.559 28.049 28.738 -0.216 0.000 0.902 964 Q HN 0.952 nan 8.270 nan 0.000 0.425 965 Q N 0.601 120.228 119.800 -0.288 0.000 2.050 965 Q HA -0.224 4.132 4.340 0.027 0.000 0.202 965 Q C 2.155 178.056 176.000 -0.164 0.000 0.980 965 Q CA 1.588 57.281 55.803 -0.184 0.000 0.840 965 Q CB 0.017 28.648 28.738 -0.178 0.000 0.898 965 Q HN 0.406 nan 8.270 nan 0.000 0.424 966 Q N 0.003 119.680 119.800 -0.204 0.000 2.084 966 Q HA -0.168 4.188 4.340 0.027 0.000 0.202 966 Q C 2.207 178.098 176.000 -0.183 0.000 0.978 966 Q CA 1.301 57.003 55.803 -0.168 0.000 0.844 966 Q CB -0.078 28.542 28.738 -0.197 0.000 0.898 966 Q HN 0.475 nan 8.270 nan 0.000 0.426 967 L N 0.572 121.677 121.223 -0.198 0.000 2.079 967 L HA -0.221 4.135 4.340 0.027 0.000 0.210 967 L C 2.696 179.445 176.870 -0.201 0.000 1.081 967 L CA 1.545 56.263 54.840 -0.204 0.000 0.752 967 L CB -0.486 41.481 42.059 -0.152 0.000 0.896 967 L HN 0.481 nan 8.230 nan 0.000 0.433 968 M N -1.843 117.668 119.600 -0.149 0.000 2.492 968 M HA -0.065 4.431 4.480 0.027 0.000 0.262 968 M C 1.312 177.551 176.300 -0.101 0.000 1.090 968 M CA 1.544 56.773 55.300 -0.118 0.000 1.110 968 M CB -0.275 32.265 32.600 -0.100 0.000 1.407 968 M HN 0.101 nan 8.290 nan 0.000 0.470 969 E N 0.932 121.071 120.200 -0.103 0.000 2.474 969 E HA 0.122 4.488 4.350 0.027 0.000 0.195 969 E C -0.369 176.195 176.600 -0.060 0.000 1.039 969 E CA 0.089 56.451 56.400 -0.063 0.000 0.881 969 E CB 0.604 30.272 29.700 -0.052 0.000 0.970 969 E HN 0.406 nan 8.360 nan 0.000 0.486 970 T N 0.075 114.558 114.554 -0.117 0.000 2.797 970 T HA 0.119 4.486 4.350 0.027 0.000 0.279 970 T C 1.052 175.670 174.700 -0.135 0.000 0.991 970 T CA -0.491 61.538 62.100 -0.117 0.000 0.979 970 T CB 1.730 70.493 68.868 -0.176 0.000 0.943 970 T HN 0.020 nan 8.240 nan 0.000 0.444 971 S N 1.583 117.308 115.700 0.042 0.000 2.470 971 S HA 0.102 4.588 4.470 0.027 0.000 0.222 971 S C 0.245 174.953 174.600 0.180 0.000 1.024 971 S CA 0.209 58.548 58.200 0.231 0.000 0.931 971 S CB -0.199 63.267 63.200 0.443 0.000 0.791 971 S HN 0.732 nan 8.310 nan 0.000 0.513 972 H N 0.889 119.986 119.070 0.045 0.000 2.667 972 H HA 0.497 5.070 4.556 0.027 0.000 0.353 972 H C 0.984 176.286 175.328 -0.044 0.000 1.072 972 H CA -0.764 55.356 56.048 0.120 0.000 1.214 972 H CB 1.544 31.358 29.762 0.087 0.000 1.600 972 H HN 0.151 nan 8.280 nan 0.000 0.527 973 R N 2.187 122.790 120.500 0.171 0.000 2.139 973 R HA -0.205 4.151 4.340 0.027 0.000 0.243 973 R C 1.192 177.512 176.300 0.033 0.000 1.145 973 R CA 2.013 58.158 56.100 0.076 0.000 0.976 973 R CB -0.520 29.876 30.300 0.161 0.000 0.866 973 R HN 0.782 nan 8.270 nan 0.000 0.449 974 H N 0.934 120.036 119.070 0.053 0.000 2.545 974 H HA 0.023 4.595 4.556 0.027 0.000 0.282 974 H C 1.440 176.712 175.328 -0.094 0.000 1.020 974 H CA 0.835 56.874 56.048 -0.014 0.000 1.243 974 H CB -0.117 29.636 29.762 -0.015 0.000 1.377 974 H HN 0.333 nan 8.280 nan 0.000 0.581 975 L N 0.817 121.685 121.223 -0.592 0.000 2.607 975 L HA 0.232 4.589 4.340 0.027 0.000 0.228 975 L C 0.598 177.340 176.870 -0.214 0.000 1.123 975 L CA -0.186 54.372 54.840 -0.470 0.000 0.890 975 L CB 0.225 41.961 42.059 -0.538 0.000 1.103 975 L HN 0.033 nan 8.230 nan 0.000 0.468 976 L N 0.993 122.085 121.223 -0.218 0.000 2.439 976 L HA 0.118 4.474 4.340 0.027 0.000 0.269 976 L C 0.262 177.111 176.870 -0.036 0.000 1.179 976 L CA -0.041 54.652 54.840 -0.245 0.000 0.828 976 L CB 0.308 41.985 42.059 -0.636 0.000 1.106 976 L HN 0.189 nan 8.230 nan 0.000 0.467 977 H N 2.013 121.108 119.070 0.042 0.000 2.529 977 H HA 0.597 5.169 4.556 0.027 0.000 0.348 977 H C -0.776 174.686 175.328 0.223 0.000 1.079 977 H CA -1.205 54.912 56.048 0.115 0.000 1.198 977 H CB 1.370 31.153 29.762 0.035 0.000 1.521 977 H HN 0.688 nan 8.280 nan 0.000 0.514 978 A N 3.998 126.911 122.820 0.154 0.000 2.511 978 A HA 0.091 4.427 4.320 0.027 0.000 0.242 978 A C 0.342 177.951 177.584 0.042 0.000 1.069 978 A CA -0.175 51.801 52.037 -0.103 0.000 0.763 978 A CB -0.007 18.924 19.000 -0.114 0.000 1.001 978 A HN 0.867 nan 8.150 nan 0.000 0.498 979 E N 0.980 121.164 120.200 -0.026 0.000 2.312 979 E HA 0.195 4.561 4.350 0.027 0.000 0.259 979 E C -0.077 176.558 176.600 0.059 0.000 1.122 979 E CA -0.692 55.786 56.400 0.130 0.000 0.922 979 E CB 0.815 30.668 29.700 0.255 0.000 1.109 979 E HN 0.789 nan 8.360 nan 0.000 0.442 980 E N 0.398 120.634 120.200 0.060 0.000 2.413 980 E HA 0.173 4.539 4.350 0.027 0.000 0.263 980 E C 0.341 176.899 176.600 -0.071 0.000 1.015 980 E CA 0.634 57.031 56.400 -0.006 0.000 0.916 980 E CB 0.389 30.084 29.700 -0.008 0.000 0.947 980 E HN 0.681 nan 8.360 nan 0.000 0.440 981 G N 2.885 111.645 108.800 -0.067 0.000 2.645 981 G HA2 -0.232 3.744 3.960 0.027 0.000 0.239 981 G HA3 -0.232 3.744 3.960 0.027 0.000 0.239 981 G C -0.612 174.217 174.900 -0.118 0.000 1.331 981 G CA -0.117 44.924 45.100 -0.098 0.000 0.890 981 G HN 0.612 nan 8.290 nan 0.000 0.572 982 T N 0.228 114.687 114.554 -0.158 0.000 2.879 982 T HA 0.493 4.860 4.350 0.027 0.000 0.290 982 T C -0.754 173.784 174.700 -0.270 0.000 0.993 982 T CA -0.174 61.840 62.100 -0.143 0.000 0.975 982 T CB 1.293 70.163 68.868 0.003 0.000 0.981 982 T HN 0.565 nan 8.240 nan 0.000 0.439 983 W N 3.381 124.593 121.300 -0.147 0.000 2.345 983 W HA 0.573 5.249 4.660 0.027 0.000 0.308 983 W C -0.255 176.144 176.519 -0.199 0.000 1.273 983 W CA -0.645 56.611 57.345 -0.148 0.000 1.243 983 W CB 0.611 29.993 29.460 -0.130 0.000 1.260 983 W HN 0.338 nan 8.180 nan 0.000 0.509 984 L N 5.814 127.048 121.223 0.017 0.000 2.333 984 L HA 0.496 4.853 4.340 0.027 0.000 0.280 984 L C -0.962 175.830 176.870 -0.130 0.000 1.004 984 L CA -0.567 54.172 54.840 -0.168 0.000 0.820 984 L CB 0.846 42.682 42.059 -0.371 0.000 1.247 984 L HN 0.308 nan 8.230 nan 0.000 0.416 985 N N 6.943 125.552 118.700 -0.152 0.000 2.443 985 N HA 0.464 5.221 4.740 0.027 0.000 0.269 985 N C -1.169 174.213 175.510 -0.213 0.000 0.985 985 N CA -0.233 52.722 53.050 -0.157 0.000 0.921 985 N CB 2.238 40.655 38.487 -0.117 0.000 1.195 985 N HN 0.545 nan 8.380 nan 0.000 0.492 986 I N 1.940 122.338 120.570 -0.287 0.000 2.382 986 I HA 0.235 4.421 4.170 0.027 0.000 0.286 986 I C -0.675 175.258 176.117 -0.306 0.000 1.002 986 I CA -0.571 60.521 61.300 -0.347 0.000 1.135 986 I CB 1.541 39.159 38.000 -0.635 0.000 1.288 986 I HN 0.168 nan 8.210 nan 0.000 0.448 987 D N 4.501 124.759 120.400 -0.237 0.000 2.256 987 D HA 0.286 4.943 4.640 0.027 0.000 0.246 987 D C 0.944 176.942 176.300 -0.503 0.000 1.042 987 D CA -0.249 53.541 54.000 -0.351 0.000 0.841 987 D CB 2.551 43.247 40.800 -0.174 0.000 1.223 987 D HN 0.686 nan 8.370 nan 0.000 0.470 988 G N 1.025 109.221 108.800 -1.007 0.000 2.430 988 G HA2 0.002 3.979 3.960 0.027 0.000 0.216 988 G HA3 0.002 3.979 3.960 0.027 0.000 0.216 988 G C 0.104 174.197 174.900 -1.345 0.000 1.146 988 G CA 0.520 44.906 45.100 -1.190 0.000 0.793 988 G HN 0.371 nan 8.290 nan 0.000 0.537 989 F N -1.973 117.803 119.950 -0.290 0.000 2.601 989 F HA 0.607 5.151 4.527 0.027 0.000 0.309 989 F C -0.536 175.173 175.800 -0.152 0.000 1.089 989 F CA -1.195 56.706 58.000 -0.166 0.000 0.940 989 F CB 2.114 40.944 39.000 -0.283 0.000 1.273 989 F HN 0.021 nan 8.300 nan 0.000 0.450 990 H N 1.854 120.938 119.070 0.024 0.000 2.865 990 H HA 0.540 5.112 4.556 0.027 0.000 0.362 990 H C -0.840 174.513 175.328 0.042 0.000 1.114 990 H CA -0.871 55.161 56.048 -0.026 0.000 1.208 990 H CB 1.879 31.607 29.762 -0.057 0.000 1.727 990 H HN 0.783 nan 8.280 nan 0.000 0.534 991 M N 3.273 122.791 119.600 -0.136 0.000 2.226 991 M HA 0.310 4.806 4.480 0.027 0.000 0.324 991 M C 0.487 176.899 176.300 0.186 0.000 1.112 991 M CA 0.274 55.590 55.300 0.026 0.000 1.176 991 M CB 0.416 32.937 32.600 -0.132 0.000 1.430 991 M HN 0.829 nan 8.290 nan 0.000 0.462 992 G N 2.385 111.273 108.800 0.148 0.000 2.699 992 G HA2 0.283 4.259 3.960 0.027 0.000 0.246 992 G HA3 0.283 4.259 3.960 0.027 0.000 0.246 992 G C 0.560 175.446 174.900 -0.025 0.000 1.219 992 G CA -0.347 44.769 45.100 0.025 0.000 0.866 992 G HN 0.971 nan 8.290 nan 0.000 0.572 993 I N -1.731 118.777 120.570 -0.104 0.000 3.854 993 I HA 0.422 4.609 4.170 0.027 0.000 0.312 993 I C 1.184 177.231 176.117 -0.116 0.000 1.273 993 I CA 0.417 61.616 61.300 -0.169 0.000 1.298 993 I CB -0.520 37.271 38.000 -0.349 0.000 1.071 993 I HN 0.939 nan 8.210 nan 0.000 0.428 994 G N 1.518 110.275 108.800 -0.072 0.000 2.697 994 G HA2 0.035 4.011 3.960 0.027 0.000 0.240 994 G HA3 0.035 4.011 3.960 0.027 0.000 0.240 994 G C 0.516 175.407 174.900 -0.016 0.000 1.346 994 G CA 0.081 45.176 45.100 -0.009 0.000 0.887 994 G HN 1.341 nan 8.290 nan 0.000 0.569 995 G N -2.349 106.459 108.800 0.013 0.000 2.870 995 G HA2 0.071 4.047 3.960 0.027 0.000 0.216 995 G HA3 0.071 4.047 3.960 0.027 0.000 0.216 995 G C 0.602 175.556 174.900 0.090 0.000 0.973 995 G CA 0.982 46.098 45.100 0.027 0.000 0.807 995 G HN 0.890 nan 8.290 nan 0.000 0.573 996 D N 1.272 121.741 120.400 0.115 0.000 2.190 996 D HA 0.086 4.743 4.640 0.027 0.000 0.200 996 D C 1.046 177.365 176.300 0.032 0.000 0.992 996 D CA 2.158 56.282 54.000 0.208 0.000 0.854 996 D CB 0.176 41.098 40.800 0.204 0.000 0.936 996 D HN 0.780 nan 8.370 nan 0.000 0.462 997 D N -3.431 116.786 120.400 -0.305 0.000 2.677 997 D HA 0.312 4.969 4.640 0.027 0.000 0.298 997 D C -0.851 174.931 176.300 -0.864 0.000 1.250 997 D CA -0.721 52.674 54.000 -1.008 0.000 0.888 997 D CB 0.811 40.429 40.800 -1.971 0.000 1.397 997 D HN -0.303 nan 8.370 nan 0.000 0.461 998 S N -0.619 114.395 115.700 -1.143 0.000 2.624 998 S HA 0.271 4.757 4.470 0.027 0.000 0.246 998 S C -0.625 173.997 174.600 0.037 0.000 1.072 998 S CA -0.646 57.397 58.200 -0.262 0.000 1.045 998 S CB -0.568 62.711 63.200 0.132 0.000 0.851 998 S HN 0.609 nan 8.310 nan 0.000 0.480 999 W N -1.100 120.134 121.300 -0.109 0.000 1.807 999 W HA 0.606 5.281 4.660 0.026 0.000 0.251 999 W C -0.035 176.429 176.519 -0.093 0.000 0.848 999 W CA -0.490 56.791 57.345 -0.105 0.000 1.157 999 W CB -0.022 29.308 29.460 -0.216 0.000 0.992 999 W HN 0.125 nan 8.180 nan 0.000 0.506 1000 S N 1.474 117.064 115.700 -0.184 0.000 2.575 1000 S HA 0.534 5.020 4.470 0.027 0.000 0.278 1000 S C -2.759 171.780 174.600 -0.101 0.000 1.139 1000 S CA -1.373 56.771 58.200 -0.095 0.000 0.954 1000 S CB 1.040 64.209 63.200 -0.051 0.000 1.054 1000 S HN -0.262 nan 8.310 nan 0.000 0.483 1001 P HA 0.027 nan 4.420 nan 0.000 0.259 1001 P C 0.002 177.344 177.300 0.070 0.000 1.163 1001 P CA 0.425 63.539 63.100 0.023 0.000 0.760 1001 P CB 0.389 31.978 31.700 -0.184 0.000 0.762 1002 S N 0.733 116.512 115.700 0.132 0.000 2.780 1002 S HA 0.144 4.630 4.470 0.027 0.000 0.248 1002 S C 0.240 174.932 174.600 0.154 0.000 1.036 1002 S CA -0.328 57.927 58.200 0.093 0.000 1.061 1002 S CB -0.214 62.990 63.200 0.008 0.000 1.037 1002 S HN 0.121 nan 8.310 nan 0.000 0.584 1003 V N 2.754 122.809 119.914 0.236 0.000 2.470 1003 V HA 0.366 4.502 4.120 0.027 0.000 0.276 1003 V C 0.803 177.061 176.094 0.272 0.000 1.040 1003 V CA -0.265 62.162 62.300 0.212 0.000 1.008 1003 V CB 1.031 32.926 31.823 0.120 0.000 0.990 1003 V HN 0.488 nan 8.190 nan 0.000 0.477 1004 S N 3.704 119.575 115.700 0.284 0.000 2.579 1004 S HA 0.358 4.845 4.470 0.027 0.000 0.275 1004 S C 1.510 176.258 174.600 0.246 0.000 1.345 1004 S CA 0.063 58.418 58.200 0.258 0.000 1.031 1004 S CB 1.242 64.626 63.200 0.307 0.000 0.892 1004 S HN 0.977 nan 8.310 nan 0.000 0.529 1005 A N 3.008 125.926 122.820 0.163 0.000 1.948 1005 A HA -0.139 4.197 4.320 0.027 0.000 0.220 1005 A C 1.961 179.576 177.584 0.052 0.000 1.177 1005 A CA 1.829 53.947 52.037 0.135 0.000 0.636 1005 A CB -0.645 18.414 19.000 0.099 0.000 0.815 1005 A HN 0.935 nan 8.150 nan 0.000 0.449 1006 E N -0.829 119.331 120.200 -0.066 0.000 2.472 1006 E HA -0.113 4.253 4.350 0.027 0.000 0.200 1006 E C 0.633 176.973 176.600 -0.434 0.000 1.046 1006 E CA 0.694 56.928 56.400 -0.277 0.000 0.871 1006 E CB -0.471 28.979 29.700 -0.418 0.000 0.806 1006 E HN 0.694 nan 8.360 nan 0.000 0.533 1007 F N 1.004 121.012 119.950 0.098 0.000 2.654 1007 F HA 0.273 4.816 4.527 0.027 0.000 0.303 1007 F C 0.775 176.624 175.800 0.082 0.000 1.099 1007 F CA -0.577 57.481 58.000 0.097 0.000 1.270 1007 F CB 0.605 39.661 39.000 0.094 0.000 1.024 1007 F HN -0.195 nan 8.300 nan 0.000 0.548 1008 Q N 1.245 121.169 119.800 0.206 0.000 2.235 1008 Q HA 0.412 4.768 4.340 0.027 0.000 0.250 1008 Q C -0.228 175.828 176.000 0.093 0.000 0.909 1008 Q CA -0.507 55.404 55.803 0.179 0.000 0.910 1008 Q CB 1.869 30.815 28.738 0.347 0.000 1.223 1008 Q HN 0.264 nan 8.270 nan 0.000 0.432 1009 L N 2.428 123.691 121.223 0.067 0.000 2.399 1009 L HA 0.126 4.482 4.340 0.027 0.000 0.257 1009 L C 0.564 177.398 176.870 -0.059 0.000 1.236 1009 L CA -0.080 54.771 54.840 0.018 0.000 1.144 1009 L CB -0.290 41.664 42.059 -0.174 0.000 1.379 1009 L HN 0.692 nan 8.230 nan 0.000 0.414 1010 S N -1.091 114.471 115.700 -0.231 0.000 2.554 1010 S HA 0.142 4.628 4.470 0.027 0.000 0.226 1010 S C 1.703 176.207 174.600 -0.160 0.000 0.980 1010 S CA 0.172 58.020 58.200 -0.586 0.000 0.939 1010 S CB 0.719 63.424 63.200 -0.826 0.000 0.832 1010 S HN 0.517 nan 8.310 nan 0.000 0.486 1011 A N 1.631 124.417 122.820 -0.056 0.000 2.131 1011 A HA 0.372 4.709 4.320 0.027 0.000 0.220 1011 A C 2.169 179.618 177.584 -0.226 0.000 1.158 1011 A CA 1.426 53.297 52.037 -0.276 0.000 0.665 1011 A CB -1.360 17.213 19.000 -0.712 0.000 0.795 1011 A HN 1.486 nan 8.150 nan 0.000 0.460 1012 G N -1.539 107.240 108.800 -0.035 0.000 2.550 1012 G HA2 -0.314 3.663 3.960 0.027 0.000 0.233 1012 G HA3 -0.314 3.663 3.960 0.027 0.000 0.233 1012 G C 0.473 175.377 174.900 0.006 0.000 1.170 1012 G CA 0.559 45.671 45.100 0.020 0.000 0.693 1012 G HN 0.712 nan 8.290 nan 0.000 0.512 1013 R N -0.500 119.888 120.500 -0.187 0.000 2.532 1013 R HA 0.678 5.034 4.340 0.027 0.000 0.297 1013 R C -1.591 174.454 176.300 -0.424 0.000 0.984 1013 R CA -0.556 55.458 56.100 -0.143 0.000 0.884 1013 R CB 1.454 31.706 30.300 -0.079 0.000 1.182 1013 R HN 0.251 nan 8.270 nan 0.000 0.442 1014 Y N 0.533 120.826 120.300 -0.012 0.000 2.477 1014 Y HA 0.356 4.922 4.550 0.027 0.000 0.347 1014 Y C -0.425 175.625 175.900 0.249 0.000 0.981 1014 Y CA -0.806 57.258 58.100 -0.059 0.000 1.033 1014 Y CB 2.158 40.455 38.460 -0.272 0.000 1.245 1014 Y HN 0.575 nan 8.280 nan 0.000 0.455 1015 H N 2.669 122.000 119.070 0.435 0.000 2.717 1015 H HA 0.623 5.195 4.556 0.027 0.000 0.366 1015 H C -1.741 173.965 175.328 0.630 0.000 1.132 1015 H CA -0.937 55.353 56.048 0.404 0.000 1.180 1015 H CB 1.262 31.163 29.762 0.231 0.000 1.678 1015 H HN 0.573 nan 8.280 nan 0.000 0.537 1016 Y N 1.528 121.673 120.300 -0.259 0.000 2.597 1016 Y HA 0.432 4.999 4.550 0.027 0.000 0.340 1016 Y C -1.922 173.800 175.900 -0.297 0.000 1.097 1016 Y CA -1.137 56.874 58.100 -0.148 0.000 1.037 1016 Y CB 1.470 39.915 38.460 -0.025 0.000 1.305 1016 Y HN 0.745 nan 8.280 nan 0.000 0.463 1017 Q N 3.102 122.899 119.800 -0.005 0.000 2.289 1017 Q HA 0.737 5.094 4.340 0.027 0.000 0.270 1017 Q C -2.258 173.818 176.000 0.128 0.000 1.038 1017 Q CA -0.948 54.841 55.803 -0.023 0.000 0.812 1017 Q CB 2.988 31.741 28.738 0.026 0.000 1.300 1017 Q HN 0.882 nan 8.270 nan 0.000 0.427 1018 L N 1.876 123.158 121.223 0.098 0.000 2.381 1018 L HA 0.708 5.064 4.340 0.027 0.000 0.268 1018 L C -0.827 176.151 176.870 0.179 0.000 0.997 1018 L CA -1.301 53.623 54.840 0.140 0.000 0.818 1018 L CB 2.477 44.585 42.059 0.082 0.000 1.310 1018 L HN 0.486 nan 8.230 nan 0.000 0.416 1019 V N 1.301 121.346 119.914 0.218 0.000 2.384 1019 V HA 0.366 4.503 4.120 0.027 0.000 0.287 1019 V C -0.971 175.304 176.094 0.301 0.000 1.020 1019 V CA -0.454 61.988 62.300 0.237 0.000 0.850 1019 V CB 1.865 33.803 31.823 0.191 0.000 0.987 1019 V HN 0.601 nan 8.190 nan 0.000 0.436 1020 W N 6.871 128.248 121.300 0.129 0.000 2.478 1020 W HA 0.711 5.387 4.660 0.027 0.000 0.318 1020 W C -0.191 176.338 176.519 0.017 0.000 1.062 1020 W CA -1.016 56.340 57.345 0.018 0.000 1.210 1020 W CB 1.480 31.004 29.460 0.108 0.000 1.325 1020 W HN 0.886 nan 8.180 nan 0.000 0.496 1021 C N 3.425 123.007 119.300 0.470 0.000 3.336 1021 C HA 0.539 5.016 4.460 0.027 0.000 0.339 1021 C C -0.843 174.261 174.990 0.191 0.000 1.468 1021 C CA -0.874 58.327 59.018 0.305 0.000 1.287 1021 C CB 1.639 29.494 27.740 0.191 0.000 1.682 1021 C HN 0.660 nan 8.230 nan 0.000 0.451 1022 Q N 1.503 121.358 119.800 0.091 0.000 2.303 1022 Q HA 0.313 4.670 4.340 0.027 0.000 0.257 1022 Q C -0.039 175.948 176.000 -0.022 0.000 0.941 1022 Q CA -0.214 55.585 55.803 -0.007 0.000 0.931 1022 Q CB 1.132 29.850 28.738 -0.033 0.000 1.215 1022 Q HN 0.549 nan 8.270 nan 0.000 0.437 1023 K N 0.000 120.366 120.400 -0.057 0.000 2.780 1023 K HA 0.000 4.336 4.320 0.027 0.000 0.191 1023 K CA 0.000 56.266 56.287 -0.036 0.000 0.838 1023 K CB 0.000 32.470 32.500 -0.050 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543