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 3czj_1_B 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 VIIWSLGTES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.120 176.300 -0.299 0.000 0.893 13 R CA 0.000 55.975 56.100 -0.208 0.000 0.921 13 R CB 0.000 30.175 30.300 -0.208 0.000 0.687 14 R N 1.840 122.062 120.500 -0.463 0.000 3.171 14 R HA 0.180 4.535 4.340 0.024 0.000 0.241 14 R C 0.186 175.990 176.300 -0.827 0.000 1.421 14 R CA -0.446 55.031 56.100 -1.038 0.000 1.444 14 R CB 0.476 30.182 30.300 -0.991 0.000 1.247 14 R HN 0.422 nan 8.270 nan 0.000 0.636 15 D N 1.179 121.270 120.400 -0.516 0.000 2.263 15 D HA -0.180 4.474 4.640 0.024 0.000 0.208 15 D C 1.222 177.425 176.300 -0.162 0.000 0.971 15 D CA 1.139 54.911 54.000 -0.380 0.000 0.867 15 D CB 0.156 40.566 40.800 -0.650 0.000 0.929 15 D HN 0.653 nan 8.370 nan 0.000 0.492 16 W N 1.258 122.553 121.300 -0.008 0.000 3.377 16 W HA 0.252 4.926 4.660 0.024 0.000 0.277 16 W C 0.417 177.038 176.519 0.169 0.000 1.311 16 W CA -0.335 57.129 57.345 0.197 0.000 1.703 16 W CB -0.198 29.419 29.460 0.262 0.000 1.095 16 W HN -0.208 nan 8.180 nan 0.000 0.715 17 E N 1.063 121.151 120.200 -0.187 0.000 3.191 17 E HA 0.031 4.395 4.350 0.024 0.000 0.192 17 E C -0.766 175.715 176.600 -0.200 0.000 0.972 17 E CA -0.194 56.130 56.400 -0.127 0.000 1.266 17 E CB -0.126 29.483 29.700 -0.152 0.000 1.076 17 E HN 0.028 nan 8.360 nan 0.000 0.462 18 N N 1.295 119.898 118.700 -0.161 0.000 2.581 18 N HA 0.131 4.886 4.740 0.024 0.000 0.279 18 N C -2.178 173.193 175.510 -0.231 0.000 1.124 18 N CA -1.976 50.943 53.050 -0.220 0.000 0.833 18 N CB 1.494 39.866 38.487 -0.193 0.000 1.338 18 N HN -0.165 nan 8.380 nan 0.000 0.533 19 P HA -0.008 nan 4.420 nan 0.000 0.228 19 P C 1.062 178.124 177.300 -0.396 0.000 1.151 19 P CA 0.683 63.429 63.100 -0.591 0.000 0.770 19 P CB 0.200 31.009 31.700 -1.485 0.000 0.786 20 G N -0.001 108.613 108.800 -0.309 0.000 2.464 20 G HA2 -0.011 3.964 3.960 0.024 0.000 0.217 20 G HA3 -0.011 3.964 3.960 0.024 0.000 0.217 20 G C 0.531 175.361 174.900 -0.117 0.000 1.138 20 G CA 0.170 45.146 45.100 -0.208 0.000 0.793 20 G HN 0.223 nan 8.290 nan 0.000 0.539 21 V N 1.992 121.858 119.914 -0.079 0.000 2.294 21 V HA 0.280 4.414 4.120 0.024 0.000 0.272 21 V C 1.015 177.181 176.094 0.119 0.000 1.027 21 V CA 0.282 62.592 62.300 0.017 0.000 0.823 21 V CB 0.907 32.731 31.823 0.003 0.000 1.030 21 V HN 0.356 nan 8.190 nan 0.000 0.457 22 T N 0.672 115.276 114.554 0.084 0.000 3.069 22 T HA 0.354 4.718 4.350 0.024 0.000 0.252 22 T C 0.302 175.028 174.700 0.042 0.000 1.053 22 T CA 0.117 62.260 62.100 0.072 0.000 0.964 22 T CB 0.232 69.100 68.868 0.000 0.000 1.005 22 T HN 0.704 nan 8.240 nan 0.000 0.532 23 Q N 0.136 120.017 119.800 0.135 0.000 2.848 23 Q HA 0.628 4.982 4.340 0.024 0.000 0.288 23 Q C -2.354 173.773 176.000 0.212 0.000 0.907 23 Q CA -1.011 54.862 55.803 0.116 0.000 0.792 23 Q CB 0.609 29.332 28.738 -0.025 0.000 1.534 23 Q HN 0.223 nan 8.270 nan 0.000 0.419 24 L N 1.814 123.187 121.223 0.250 0.000 2.476 24 L HA 0.591 4.946 4.340 0.024 0.000 0.269 24 L C -0.593 176.392 176.870 0.191 0.000 0.965 24 L CA -0.881 54.118 54.840 0.264 0.000 0.845 24 L CB 1.911 44.256 42.059 0.476 0.000 1.259 24 L HN 0.869 nan 8.230 nan 0.000 0.403 25 N N 1.044 119.820 118.700 0.127 0.000 2.741 25 N HA -0.212 4.543 4.740 0.024 0.000 0.251 25 N C 0.210 175.744 175.510 0.041 0.000 1.112 25 N CA 0.848 53.954 53.050 0.095 0.000 0.750 25 N CB -0.749 37.770 38.487 0.054 0.000 1.119 25 N HN 0.654 nan 8.380 nan 0.000 0.561 26 R N 0.908 121.341 120.500 -0.112 0.000 2.390 26 R HA 0.388 4.742 4.340 0.024 0.000 0.291 26 R C 0.546 176.672 176.300 -0.290 0.000 1.070 26 R CA -0.349 55.450 56.100 -0.502 0.000 1.014 26 R CB 0.555 30.576 30.300 -0.464 0.000 1.007 26 R HN 0.119 nan 8.270 nan 0.000 0.466 27 L N 2.935 123.968 121.223 -0.316 0.000 2.466 27 L HA 0.305 4.659 4.340 0.024 0.000 0.257 27 L C 0.622 177.432 176.870 -0.100 0.000 1.189 27 L CA -0.586 54.176 54.840 -0.131 0.000 0.813 27 L CB 0.826 42.846 42.059 -0.064 0.000 1.118 27 L HN 0.765 nan 8.230 nan 0.000 0.471 28 A N 1.397 124.203 122.820 -0.023 0.000 2.483 28 A HA 0.482 4.816 4.320 0.024 0.000 0.238 28 A C 0.352 177.934 177.584 -0.003 0.000 1.070 28 A CA -0.009 52.022 52.037 -0.010 0.000 0.770 28 A CB 0.177 19.196 19.000 0.032 0.000 1.008 28 A HN 0.797 nan 8.150 nan 0.000 0.497 29 A N 1.590 124.357 122.820 -0.089 0.000 2.346 29 A HA 0.660 4.995 4.320 0.024 0.000 0.252 29 A C 0.181 177.653 177.584 -0.187 0.000 1.089 29 A CA 0.642 52.543 52.037 -0.227 0.000 0.797 29 A CB -0.081 18.795 19.000 -0.207 0.000 1.047 29 A HN 2.001 nan 8.150 nan 0.000 0.494 30 H N -3.007 115.919 119.070 -0.239 0.000 2.904 30 H HA 0.601 5.172 4.556 0.024 0.000 0.290 30 H C -3.456 171.584 175.328 -0.480 0.000 1.437 30 H CA -1.718 54.118 56.048 -0.353 0.000 1.147 30 H CB -0.089 29.376 29.762 -0.494 0.000 1.824 30 H HN 0.377 nan 8.280 nan 0.000 0.505 31 P HA 0.227 nan 4.420 nan 0.000 0.274 31 P C -2.589 174.528 177.300 -0.306 0.000 1.246 31 P CA -1.347 61.529 63.100 -0.373 0.000 0.795 31 P CB -0.071 31.310 31.700 -0.531 0.000 1.006 32 P HA -0.009 nan 4.420 nan 0.000 0.258 32 P C -0.851 176.592 177.300 0.239 0.000 1.172 32 P CA 1.118 64.241 63.100 0.038 0.000 0.762 32 P CB -0.151 31.615 31.700 0.111 0.000 0.764 33 F N 2.152 122.190 119.950 0.147 0.000 2.523 33 F HA 0.642 5.183 4.527 0.024 0.000 0.329 33 F C 1.067 176.779 175.800 -0.147 0.000 1.061 33 F CA -1.303 56.716 58.000 0.031 0.000 0.967 33 F CB 1.196 40.167 39.000 -0.048 0.000 1.218 33 F HN 0.289 nan 8.300 nan 0.000 0.480 34 A N -0.114 122.608 122.820 -0.163 0.000 2.644 34 A HA 0.314 4.649 4.320 0.024 0.000 0.193 34 A C 0.602 177.872 177.584 -0.524 0.000 1.464 34 A CA 0.616 52.322 52.037 -0.551 0.000 1.095 34 A CB -0.399 17.771 19.000 -1.384 0.000 1.405 34 A HN 0.871 nan 8.150 nan 0.000 0.558 35 S N 0.491 115.987 115.700 -0.340 0.000 3.524 35 S HA -0.148 4.336 4.470 0.024 0.000 0.377 35 S C -0.064 174.458 174.600 -0.131 0.000 0.949 35 S CA 0.457 58.526 58.200 -0.217 0.000 1.264 35 S CB -1.581 61.502 63.200 -0.195 0.000 0.918 35 S HN 0.459 nan 8.310 nan 0.000 0.517 36 W N 2.000 123.282 121.300 -0.030 0.000 2.158 36 W HA 0.279 4.953 4.660 0.023 0.000 0.339 36 W C 1.319 177.818 176.519 -0.033 0.000 1.294 36 W CA -0.580 56.753 57.345 -0.021 0.000 1.231 36 W CB 0.284 29.732 29.460 -0.020 0.000 1.143 36 W HN 0.357 nan 8.180 nan 0.000 0.571 37 R N 1.966 122.592 120.500 0.211 0.000 2.577 37 R HA 0.082 4.437 4.340 0.024 0.000 0.344 37 R C -0.129 176.225 176.300 0.090 0.000 1.037 37 R CA -0.186 55.978 56.100 0.107 0.000 1.102 37 R CB -0.229 30.105 30.300 0.057 0.000 1.313 37 R HN 0.334 nan 8.270 nan 0.000 0.561 38 N N 0.134 118.900 118.700 0.111 0.000 2.500 38 N HA 0.119 4.873 4.740 0.024 0.000 0.291 38 N C -0.042 175.438 175.510 -0.050 0.000 1.092 38 N CA -0.011 53.055 53.050 0.027 0.000 0.890 38 N CB 1.733 40.236 38.487 0.027 0.000 1.466 38 N HN -0.250 nan 8.380 nan 0.000 0.507 39 S N 2.343 118.000 115.700 -0.072 0.000 2.400 39 S HA -0.160 4.325 4.470 0.024 0.000 0.232 39 S C 1.382 175.826 174.600 -0.259 0.000 1.025 39 S CA 1.135 59.255 58.200 -0.132 0.000 0.993 39 S CB 0.043 63.197 63.200 -0.077 0.000 0.808 39 S HN 0.711 nan 8.310 nan 0.000 0.478 40 E N 1.582 121.642 120.200 -0.234 0.000 2.106 40 E HA -0.130 4.234 4.350 0.024 0.000 0.192 40 E C 1.871 178.244 176.600 -0.379 0.000 0.984 40 E CA 1.250 57.472 56.400 -0.297 0.000 0.806 40 E CB -0.163 29.420 29.700 -0.196 0.000 0.750 40 E HN 0.595 nan 8.360 nan 0.000 0.458 41 E N -0.182 119.793 120.200 -0.375 0.000 2.106 41 E HA -0.161 4.203 4.350 0.024 0.000 0.192 41 E C 2.037 177.964 176.600 -1.122 0.000 0.984 41 E CA 0.860 56.957 56.400 -0.505 0.000 0.806 41 E CB -0.186 29.354 29.700 -0.266 0.000 0.750 41 E HN 0.350 nan 8.360 nan 0.000 0.458 42 A N 1.842 123.875 122.820 -1.312 0.000 1.877 42 A HA -0.211 4.124 4.320 0.024 0.000 0.216 42 A C 2.150 179.168 177.584 -0.944 0.000 1.186 42 A CA 1.549 52.603 52.037 -1.638 0.000 0.620 42 A CB -0.474 18.092 19.000 -0.725 0.000 0.822 42 A HN 0.087 nan 8.150 nan 0.000 0.443 43 R N -0.284 119.820 120.500 -0.661 0.000 2.073 43 R HA -0.136 4.219 4.340 0.024 0.000 0.234 43 R C 2.025 178.048 176.300 -0.461 0.000 1.134 43 R CA 2.154 57.900 56.100 -0.590 0.000 0.952 43 R CB -0.481 29.316 30.300 -0.838 0.000 0.850 43 R HN 0.621 nan 8.270 nan 0.000 0.433 44 T N -2.663 111.634 114.554 -0.427 0.000 3.129 44 T HA 0.041 4.405 4.350 0.024 0.000 0.251 44 T C 0.214 174.800 174.700 -0.191 0.000 1.117 44 T CA 0.505 62.443 62.100 -0.270 0.000 1.034 44 T CB 0.020 68.755 68.868 -0.222 0.000 0.968 44 T HN 0.388 nan 8.240 nan 0.000 0.526 45 D N 0.976 121.207 120.400 -0.281 0.000 2.746 45 D HA -0.156 4.499 4.640 0.024 0.000 0.236 45 D C -0.022 176.351 176.300 0.122 0.000 1.129 45 D CA 0.387 54.353 54.000 -0.057 0.000 0.691 45 D CB -1.111 39.728 40.800 0.065 0.000 1.077 45 D HN 0.610 nan 8.370 nan 0.000 0.432 46 R N 0.050 120.587 120.500 0.060 0.000 2.583 46 R HA 0.537 4.891 4.340 0.024 0.000 0.268 46 R C -2.046 174.491 176.300 0.395 0.000 1.101 46 R CA -1.421 54.777 56.100 0.164 0.000 1.180 46 R CB 0.197 30.543 30.300 0.077 0.000 1.128 46 R HN 0.072 nan 8.270 nan 0.000 0.568 47 P HA -0.043 nan 4.420 nan 0.000 0.269 47 P C -0.852 176.634 177.300 0.311 0.000 1.217 47 P CA 0.174 63.427 63.100 0.256 0.000 0.783 47 P CB 0.692 32.486 31.700 0.157 0.000 0.898 48 S N 0.487 116.265 115.700 0.130 0.000 2.478 48 S HA 0.131 4.615 4.470 0.024 0.000 0.312 48 S C 0.846 175.479 174.600 0.055 0.000 1.094 48 S CA -0.526 57.686 58.200 0.021 0.000 1.081 48 S CB 0.759 63.681 63.200 -0.463 0.000 1.007 48 S HN 0.475 nan 8.310 nan 0.000 0.475 49 Q N 2.472 122.335 119.800 0.105 0.000 2.291 49 Q HA -0.127 4.227 4.340 0.024 0.000 0.206 49 Q C 0.804 176.930 176.000 0.209 0.000 0.976 49 Q CA 1.478 57.372 55.803 0.152 0.000 0.875 49 Q CB 0.050 28.876 28.738 0.145 0.000 0.927 49 Q HN 0.729 nan 8.270 nan 0.000 0.450 50 Q N -0.269 119.569 119.800 0.063 0.000 2.451 50 Q HA 0.102 4.456 4.340 0.024 0.000 0.206 50 Q C -0.512 175.523 176.000 0.059 0.000 0.947 50 Q CA 0.308 56.087 55.803 -0.040 0.000 0.937 50 Q CB 0.448 29.091 28.738 -0.158 0.000 1.025 50 Q HN 0.141 nan 8.270 nan 0.000 0.511 51 L N 0.868 122.146 121.223 0.092 0.000 2.353 51 L HA 0.393 4.747 4.340 0.024 0.000 0.270 51 L C -1.096 175.863 176.870 0.149 0.000 1.003 51 L CA -0.321 54.577 54.840 0.096 0.000 0.862 51 L CB 0.858 42.894 42.059 -0.038 0.000 1.221 51 L HN -0.134 nan 8.230 nan 0.000 0.430 52 R N 2.318 122.949 120.500 0.219 0.000 2.428 52 R HA 0.540 4.894 4.340 0.024 0.000 0.294 52 R C -0.337 175.991 176.300 0.046 0.000 1.000 52 R CA -0.544 55.627 56.100 0.118 0.000 0.960 52 R CB 1.778 32.114 30.300 0.059 0.000 1.076 52 R HN 0.650 nan 8.270 nan 0.000 0.475 53 S N 2.621 118.336 115.700 0.025 0.000 2.499 53 S HA 0.260 4.745 4.470 0.024 0.000 0.279 53 S C 0.605 175.201 174.600 -0.006 0.000 1.219 53 S CA -0.679 57.525 58.200 0.007 0.000 1.062 53 S CB 0.554 63.769 63.200 0.025 0.000 0.978 53 S HN 0.574 nan 8.310 nan 0.000 0.489 54 L N 3.632 124.848 121.223 -0.013 0.000 2.818 54 L HA 0.301 4.656 4.340 0.024 0.000 0.243 54 L C 0.164 177.165 176.870 0.220 0.000 1.185 54 L CA -0.385 54.464 54.840 0.014 0.000 0.988 54 L CB -0.337 41.666 42.059 -0.094 0.000 1.292 54 L HN 0.525 nan 8.230 nan 0.000 0.519 55 N N 1.161 119.944 118.700 0.139 0.000 2.453 55 N HA 0.494 5.248 4.740 0.024 0.000 0.253 55 N C 0.650 176.281 175.510 0.202 0.000 1.252 55 N CA 1.001 54.142 53.050 0.151 0.000 0.917 55 N CB 1.149 39.664 38.487 0.047 0.000 1.117 55 N HN 0.288 nan 8.380 nan 0.000 0.442 56 G N 0.143 109.075 108.800 0.220 0.000 2.250 56 G HA2 -0.090 3.885 3.960 0.024 0.000 0.252 56 G HA3 -0.090 3.885 3.960 0.024 0.000 0.252 56 G C -1.552 173.546 174.900 0.329 0.000 1.325 56 G CA -0.820 44.406 45.100 0.210 0.000 1.091 56 G HN 0.475 nan 8.290 nan 0.000 0.476 57 E N -0.069 120.296 120.200 0.276 0.000 2.259 57 E HA 0.448 4.812 4.350 0.024 0.000 0.281 57 E C -0.882 175.977 176.600 0.432 0.000 1.037 57 E CA 0.036 56.616 56.400 0.299 0.000 0.854 57 E CB 1.018 30.817 29.700 0.165 0.000 1.051 57 E HN 0.360 nan 8.360 nan 0.000 0.409 58 W N 1.384 122.765 121.300 0.134 0.000 3.021 58 W HA 0.394 5.068 4.660 0.024 0.000 0.337 58 W C 0.073 176.709 176.519 0.194 0.000 1.171 58 W CA -0.738 56.718 57.345 0.186 0.000 1.060 58 W CB 0.769 30.394 29.460 0.275 0.000 1.472 58 W HN 0.171 nan 8.180 nan 0.000 0.594 59 R N 1.416 122.204 120.500 0.479 0.000 2.407 59 R HA 0.562 4.916 4.340 0.024 0.000 0.303 59 R C -1.500 175.044 176.300 0.407 0.000 0.981 59 R CA -0.867 55.443 56.100 0.349 0.000 0.905 59 R CB 1.192 31.649 30.300 0.262 0.000 1.099 59 R HN 0.433 nan 8.270 nan 0.000 0.459 60 F N 0.632 120.620 119.950 0.063 0.000 2.578 60 F HA 0.667 5.208 4.527 0.024 0.000 0.311 60 F C -1.401 174.257 175.800 -0.236 0.000 1.094 60 F CA -0.692 57.200 58.000 -0.180 0.000 0.923 60 F CB 2.046 40.823 39.000 -0.371 0.000 1.230 60 F HN 0.607 nan 8.300 nan 0.000 0.450 61 A N 4.520 126.567 122.820 -1.289 0.000 2.455 61 A HA 0.550 4.884 4.320 0.024 0.000 0.300 61 A C -2.413 174.328 177.584 -1.405 0.000 1.040 61 A CA -0.497 50.943 52.037 -0.996 0.000 0.697 61 A CB 0.638 19.366 19.000 -0.453 0.000 1.265 61 A HN 0.930 nan 8.150 nan 0.000 0.407 62 W N 2.882 123.422 121.300 -1.266 0.000 2.469 62 W HA 0.756 5.431 4.660 0.024 0.000 0.320 62 W C -1.827 174.138 176.519 -0.924 0.000 1.086 62 W CA -0.353 56.391 57.345 -1.002 0.000 1.211 62 W CB 1.062 30.175 29.460 -0.579 0.000 1.298 62 W HN 0.494 nan 8.180 nan 0.000 0.525 63 F N 6.519 125.719 119.950 -1.250 0.000 2.576 63 F HA 0.370 4.911 4.527 0.024 0.000 0.313 63 F C -1.185 173.655 175.800 -1.600 0.000 1.078 63 F CA -2.243 55.148 58.000 -1.016 0.000 0.921 63 F CB 1.839 40.429 39.000 -0.685 0.000 1.232 63 F HN 0.218 nan 8.300 nan 0.000 0.459 64 P HA 0.030 nan 4.420 nan 0.000 0.221 64 P C -0.209 176.942 177.300 -0.248 0.000 1.150 64 P CA 1.102 63.943 63.100 -0.431 0.000 0.800 64 P CB 0.767 32.481 31.700 0.022 0.000 0.787 65 A N -0.769 121.923 122.820 -0.215 0.000 2.612 65 A HA 0.520 4.854 4.320 0.024 0.000 0.293 65 A C -2.383 175.084 177.584 -0.195 0.000 1.075 65 A CA -1.110 50.844 52.037 -0.138 0.000 0.680 65 A CB 0.576 19.567 19.000 -0.015 0.000 1.279 65 A HN -0.246 nan 8.150 nan 0.000 0.411 66 P HA -0.126 nan 4.420 nan 0.000 0.220 66 P C 0.516 177.718 177.300 -0.163 0.000 1.148 66 P CA 1.426 64.384 63.100 -0.236 0.000 0.803 66 P CB 0.256 31.783 31.700 -0.288 0.000 0.782 67 E N -0.034 120.127 120.200 -0.065 0.000 2.478 67 E HA 0.044 4.409 4.350 0.024 0.000 0.198 67 E C 1.959 178.504 176.600 -0.091 0.000 1.046 67 E CA 0.759 57.136 56.400 -0.039 0.000 0.870 67 E CB -0.604 29.111 29.700 0.025 0.000 0.818 67 E HN 0.262 nan 8.360 nan 0.000 0.527 68 A N 0.275 123.009 122.820 -0.144 0.000 2.195 68 A HA 0.114 4.448 4.320 0.024 0.000 0.210 68 A C 0.776 178.150 177.584 -0.351 0.000 1.165 68 A CA -0.184 51.783 52.037 -0.117 0.000 0.806 68 A CB 0.391 19.400 19.000 0.015 0.000 0.847 68 A HN 0.057 nan 8.150 nan 0.000 0.482 69 V N 3.593 123.125 119.914 -0.638 0.000 2.479 69 V HA 0.174 4.308 4.120 0.024 0.000 0.281 69 V C -1.975 173.800 176.094 -0.531 0.000 1.031 69 V CA -1.322 60.349 62.300 -1.049 0.000 1.038 69 V CB 0.584 31.829 31.823 -0.964 0.000 0.981 69 V HN 0.379 nan 8.190 nan 0.000 0.478 70 P HA 0.217 nan 4.420 nan 0.000 0.276 70 P C 0.231 177.471 177.300 -0.101 0.000 1.230 70 P CA -0.303 62.699 63.100 -0.164 0.000 0.776 70 P CB 1.549 33.212 31.700 -0.062 0.000 0.888 71 E N 1.527 121.680 120.200 -0.079 0.000 2.204 71 E HA -0.153 4.211 4.350 0.024 0.000 0.195 71 E C 1.950 178.514 176.600 -0.060 0.000 0.990 71 E CA 1.693 58.046 56.400 -0.079 0.000 0.821 71 E CB -0.588 29.071 29.700 -0.067 0.000 0.750 71 E HN 0.557 nan 8.360 nan 0.000 0.477 72 S N -0.723 114.964 115.700 -0.021 0.000 2.469 72 S HA -0.190 4.294 4.470 0.024 0.000 0.238 72 S C 1.796 176.400 174.600 0.007 0.000 0.998 72 S CA 0.757 58.950 58.200 -0.011 0.000 0.957 72 S CB -0.679 62.528 63.200 0.011 0.000 0.764 72 S HN 0.546 nan 8.310 nan 0.000 0.514 73 W N 2.261 123.461 121.300 -0.166 0.000 2.425 73 W HA 0.168 4.842 4.660 0.024 0.000 0.277 73 W C 1.498 177.898 176.519 -0.198 0.000 1.231 73 W CA 0.486 57.730 57.345 -0.168 0.000 1.248 73 W CB -0.303 29.023 29.460 -0.224 0.000 1.117 73 W HN 0.265 nan 8.180 nan 0.000 0.568 74 L N 0.235 121.203 121.223 -0.424 0.000 2.201 74 L HA -0.121 4.233 4.340 0.024 0.000 0.212 74 L C 1.910 178.532 176.870 -0.414 0.000 1.105 74 L CA 1.451 55.902 54.840 -0.648 0.000 0.775 74 L CB -0.499 41.220 42.059 -0.567 0.000 0.913 74 L HN 0.056 nan 8.230 nan 0.000 0.440 75 E N -2.203 117.841 120.200 -0.260 0.000 2.508 75 E HA 0.089 4.453 4.350 0.024 0.000 0.217 75 E C -0.061 176.463 176.600 -0.127 0.000 0.896 75 E CA -0.093 56.211 56.400 -0.161 0.000 1.118 75 E CB 1.228 30.872 29.700 -0.094 0.000 1.133 75 E HN 0.302 nan 8.360 nan 0.000 0.526 76 C N 1.429 120.659 119.300 -0.117 0.000 2.698 76 C HA 0.341 4.815 4.460 0.024 0.000 0.309 76 C C -0.806 174.173 174.990 -0.017 0.000 1.186 76 C CA -0.878 58.107 59.018 -0.056 0.000 1.474 76 C CB 1.154 28.881 27.740 -0.020 0.000 2.020 76 C HN 0.263 nan 8.230 nan 0.000 0.474 77 D N 3.083 123.490 120.400 0.011 0.000 2.455 77 D HA 0.236 4.890 4.640 0.024 0.000 0.241 77 D C -0.223 176.148 176.300 0.119 0.000 1.138 77 D CA 0.330 54.377 54.000 0.078 0.000 0.877 77 D CB 0.621 41.458 40.800 0.062 0.000 1.187 77 D HN 0.590 nan 8.370 nan 0.000 0.451 78 L N 5.830 127.171 121.223 0.196 0.000 2.361 78 L HA 0.197 4.551 4.340 0.024 0.000 0.278 78 L C -1.344 175.584 176.870 0.097 0.000 1.113 78 L CA -1.470 53.464 54.840 0.157 0.000 0.849 78 L CB 1.018 43.188 42.059 0.185 0.000 1.155 78 L HN 0.509 nan 8.230 nan 0.000 0.452 79 P HA -0.187 nan 4.420 nan 0.000 0.219 79 P C 1.087 178.411 177.300 0.039 0.000 1.146 79 P CA 0.914 64.043 63.100 0.048 0.000 0.808 79 P CB 0.156 31.878 31.700 0.037 0.000 0.779 80 E N -0.393 119.826 120.200 0.030 0.000 2.435 80 E HA 0.051 4.415 4.350 0.024 0.000 0.195 80 E C 0.746 177.349 176.600 0.005 0.000 1.029 80 E CA 0.071 56.475 56.400 0.008 0.000 0.865 80 E CB -0.636 29.051 29.700 -0.022 0.000 0.833 80 E HN 0.020 nan 8.360 nan 0.000 0.510 81 A N 1.559 124.392 122.820 0.021 0.000 2.448 81 A HA 0.096 4.431 4.320 0.024 0.000 0.239 81 A C -0.067 177.563 177.584 0.076 0.000 1.080 81 A CA 0.018 52.068 52.037 0.022 0.000 0.779 81 A CB 0.251 19.290 19.000 0.065 0.000 1.026 81 A HN 0.131 nan 8.150 nan 0.000 0.499 82 D N -0.265 120.209 120.400 0.123 0.000 2.384 82 D HA 0.508 5.162 4.640 0.024 0.000 0.250 82 D C -0.610 175.797 176.300 0.179 0.000 1.029 82 D CA 0.063 54.162 54.000 0.165 0.000 0.990 82 D CB 1.400 42.357 40.800 0.263 0.000 1.175 82 D HN 0.413 nan 8.370 nan 0.000 0.532 83 T N 0.560 115.203 114.554 0.148 0.000 2.756 83 T HA 0.484 4.848 4.350 0.024 0.000 0.290 83 T C 0.119 174.896 174.700 0.127 0.000 0.985 83 T CA -0.617 61.576 62.100 0.154 0.000 0.955 83 T CB 0.776 69.712 68.868 0.113 0.000 0.930 83 T HN 0.266 nan 8.240 nan 0.000 0.451 84 V N 1.220 121.234 119.914 0.166 0.000 3.074 84 V HA 0.823 4.957 4.120 0.024 0.000 0.314 84 V C -0.317 175.860 176.094 0.138 0.000 1.117 84 V CA -1.050 61.289 62.300 0.064 0.000 1.014 84 V CB 1.703 33.530 31.823 0.006 0.000 1.057 84 V HN 0.506 nan 8.190 nan 0.000 0.438 85 V N 2.061 122.023 119.914 0.080 0.000 2.546 85 V HA 0.537 4.671 4.120 0.024 0.000 0.284 85 V C 0.053 176.201 176.094 0.089 0.000 1.050 85 V CA -0.144 62.221 62.300 0.107 0.000 0.981 85 V CB 1.239 33.099 31.823 0.061 0.000 0.990 85 V HN 0.750 nan 8.190 nan 0.000 0.474 86 V N 6.789 126.690 119.914 -0.021 0.000 2.656 86 V HA 0.466 4.601 4.120 0.024 0.000 0.307 86 V C -2.224 173.767 176.094 -0.173 0.000 1.051 86 V CA -1.737 60.419 62.300 -0.239 0.000 0.893 86 V CB 2.498 33.810 31.823 -0.852 0.000 0.999 86 V HN 0.764 nan 8.190 nan 0.000 0.426 87 P HA 0.366 nan 4.420 nan 0.000 0.274 87 P C -0.688 176.539 177.300 -0.121 0.000 1.231 87 P CA 0.076 63.055 63.100 -0.202 0.000 0.790 87 P CB 1.436 33.022 31.700 -0.191 0.000 0.951 88 S N 0.385 116.027 115.700 -0.097 0.000 2.611 88 S HA 0.349 4.833 4.470 0.024 0.000 0.270 88 S C -1.400 173.130 174.600 -0.116 0.000 1.131 88 S CA -1.055 57.077 58.200 -0.112 0.000 0.826 88 S CB 0.254 63.398 63.200 -0.092 0.000 1.095 88 S HN 0.426 nan 8.310 nan 0.000 0.461 89 N N 0.949 119.505 118.700 -0.240 0.000 2.408 89 N HA 0.452 5.206 4.740 0.024 0.000 0.280 89 N C 0.440 175.772 175.510 -0.297 0.000 1.002 89 N CA -0.822 52.060 53.050 -0.280 0.000 0.907 89 N CB 0.758 39.048 38.487 -0.328 0.000 1.161 89 N HN 0.852 nan 8.380 nan 0.000 0.488 90 W N 2.236 123.408 121.300 -0.215 0.000 2.468 90 W HA -0.027 4.647 4.660 0.024 0.000 0.262 90 W C 0.898 177.400 176.519 -0.027 0.000 1.241 90 W CA 0.487 57.717 57.345 -0.191 0.000 1.232 90 W CB -0.313 29.025 29.460 -0.203 0.000 1.124 90 W HN 0.507 nan 8.180 nan 0.000 0.597 91 Q N 0.516 120.296 119.800 -0.033 0.000 2.172 91 Q HA -0.081 4.273 4.340 0.024 0.000 0.200 91 Q C 2.176 178.109 176.000 -0.113 0.000 0.964 91 Q CA 1.604 57.382 55.803 -0.043 0.000 0.855 91 Q CB -0.574 28.025 28.738 -0.232 0.000 0.918 91 Q HN 0.247 nan 8.270 nan 0.000 0.444 92 M N -0.283 119.192 119.600 -0.209 0.000 2.557 92 M HA -0.062 4.432 4.480 0.024 0.000 0.259 92 M C 0.656 176.934 176.300 -0.036 0.000 1.086 92 M CA 1.248 56.433 55.300 -0.192 0.000 1.096 92 M CB -0.419 32.028 32.600 -0.255 0.000 1.424 92 M HN 0.228 nan 8.290 nan 0.000 0.488 93 H N -0.648 118.447 119.070 0.041 0.000 2.586 93 H HA 0.382 4.953 4.556 0.024 0.000 0.273 93 H C 1.517 176.765 175.328 -0.133 0.000 0.997 93 H CA 0.495 56.555 56.048 0.019 0.000 1.177 93 H CB 0.124 29.995 29.762 0.182 0.000 1.471 93 H HN 0.480 nan 8.280 nan 0.000 0.538 94 G N 0.492 109.306 108.800 0.025 0.000 2.132 94 G HA2 -0.349 3.626 3.960 0.024 0.000 0.234 94 G HA3 -0.349 3.626 3.960 0.024 0.000 0.234 94 G C 0.634 175.411 174.900 -0.204 0.000 0.989 94 G CA 0.368 45.415 45.100 -0.089 0.000 0.676 94 G HN 0.418 nan 8.290 nan 0.000 0.522 95 Y N 1.503 121.820 120.300 0.028 0.000 2.293 95 Y HA 0.252 4.817 4.550 0.024 0.000 0.291 95 Y C 1.631 177.287 175.900 -0.405 0.000 1.137 95 Y CA 1.712 59.714 58.100 -0.163 0.000 1.202 95 Y CB 0.244 38.694 38.460 -0.018 0.000 0.990 95 Y HN 0.665 nan 8.280 nan 0.000 0.537 96 D N -2.150 118.276 120.400 0.043 0.000 2.639 96 D HA 0.482 5.136 4.640 0.024 0.000 0.271 96 D C -1.154 175.214 176.300 0.114 0.000 1.254 96 D CA -0.818 53.194 54.000 0.020 0.000 0.810 96 D CB 0.740 41.636 40.800 0.160 0.000 1.351 96 D HN -0.030 nan 8.370 nan 0.000 0.427 97 A N 0.292 123.185 122.820 0.122 0.000 2.354 97 A HA 0.660 4.994 4.320 0.024 0.000 0.269 97 A C -2.223 175.399 177.584 0.064 0.000 1.109 97 A CA -1.035 51.067 52.037 0.108 0.000 0.800 97 A CB -0.040 19.084 19.000 0.206 0.000 1.045 97 A HN 0.563 nan 8.150 nan 0.000 0.489 98 P HA 0.456 nan 4.420 nan 0.000 0.282 98 P C -0.963 176.513 177.300 0.293 0.000 1.249 98 P CA -0.039 63.020 63.100 -0.068 0.000 0.806 98 P CB 0.991 32.387 31.700 -0.507 0.000 0.984 99 I N 2.665 123.485 120.570 0.417 0.000 2.406 99 I HA 0.248 4.433 4.170 0.024 0.000 0.290 99 I C -0.500 175.796 176.117 0.298 0.000 0.999 99 I CA -0.995 60.542 61.300 0.396 0.000 1.124 99 I CB 1.557 39.731 38.000 0.291 0.000 1.289 99 I HN 0.307 nan 8.210 nan 0.000 0.441 100 Y N 6.217 126.438 120.300 -0.132 0.000 2.491 100 Y HA 0.508 5.072 4.550 0.024 0.000 0.334 100 Y C -0.341 175.399 175.900 -0.267 0.000 0.969 100 Y CA -0.568 57.189 58.100 -0.571 0.000 1.241 100 Y CB 1.128 38.755 38.460 -1.388 0.000 1.105 100 Y HN 0.535 nan 8.280 nan 0.000 0.503 101 T N 5.289 119.345 114.554 -0.831 0.000 2.893 101 T HA 0.270 4.634 4.350 0.024 0.000 0.293 101 T C 0.285 174.566 174.700 -0.697 0.000 1.027 101 T CA -0.539 61.117 62.100 -0.740 0.000 0.988 101 T CB 1.147 69.814 68.868 -0.336 0.000 1.043 101 T HN 0.908 nan 8.240 nan 0.000 0.461 102 N N 2.527 120.862 118.700 -0.607 0.000 2.220 102 N HA -0.016 4.739 4.740 0.024 0.000 0.193 102 N C 1.438 176.747 175.510 -0.334 0.000 1.052 102 N CA 0.800 53.654 53.050 -0.325 0.000 0.898 102 N CB 0.121 38.470 38.487 -0.231 0.000 1.080 102 N HN 0.372 nan 8.380 nan 0.000 0.467 103 V N 0.540 120.181 119.914 -0.455 0.000 2.436 103 V HA 0.026 4.160 4.120 0.024 0.000 0.240 103 V C 0.606 176.406 176.094 -0.489 0.000 1.040 103 V CA 0.824 62.763 62.300 -0.602 0.000 1.052 103 V CB -0.348 31.006 31.823 -0.781 0.000 0.707 103 V HN 0.369 nan 8.190 nan 0.000 0.469 104 T N 1.245 115.576 114.554 -0.373 0.000 2.871 104 T HA 0.108 4.472 4.350 0.024 0.000 0.296 104 T C -0.353 174.218 174.700 -0.216 0.000 0.998 104 T CA 0.254 62.203 62.100 -0.252 0.000 1.162 104 T CB -0.327 68.428 68.868 -0.188 0.000 0.947 104 T HN 0.165 nan 8.240 nan 0.000 0.536 105 Y N 5.297 125.510 120.300 -0.144 0.000 2.702 105 Y HA 0.087 4.651 4.550 0.024 0.000 0.336 105 Y C -0.665 175.116 175.900 -0.199 0.000 1.235 105 Y CA -1.507 56.499 58.100 -0.157 0.000 1.492 105 Y CB 0.359 38.730 38.460 -0.149 0.000 1.308 105 Y HN 0.513 nan 8.280 nan 0.000 0.589 106 P HA -0.027 nan 4.420 nan 0.000 0.237 106 P C -0.247 176.835 177.300 -0.364 0.000 1.178 106 P CA 1.128 64.122 63.100 -0.178 0.000 0.766 106 P CB 0.101 31.735 31.700 -0.110 0.000 0.876 107 I N -4.892 115.432 120.570 -0.409 0.000 2.892 107 I HA 0.482 4.666 4.170 0.024 0.000 0.306 107 I C -0.593 175.393 176.117 -0.217 0.000 1.078 107 I CA -1.197 59.834 61.300 -0.448 0.000 1.032 107 I CB 1.892 39.463 38.000 -0.716 0.000 1.229 107 I HN -0.453 nan 8.210 nan 0.000 0.435 108 T N 3.355 117.828 114.554 -0.136 0.000 2.908 108 T HA 0.112 4.476 4.350 0.024 0.000 0.301 108 T C 0.291 174.984 174.700 -0.011 0.000 1.019 108 T CA -0.200 61.874 62.100 -0.044 0.000 1.152 108 T CB 0.488 69.352 68.868 -0.008 0.000 0.966 108 T HN 0.391 nan 8.240 nan 0.000 0.540 109 V N 5.020 124.945 119.914 0.018 0.000 2.364 109 V HA 0.173 4.307 4.120 0.024 0.000 0.252 109 V C 0.761 176.901 176.094 0.077 0.000 1.075 109 V CA -0.069 62.264 62.300 0.056 0.000 1.033 109 V CB -0.504 31.345 31.823 0.043 0.000 1.116 109 V HN 0.861 nan 8.190 nan 0.000 0.488 110 N N 5.932 124.729 118.700 0.162 0.000 2.666 110 N HA 0.236 4.990 4.740 0.024 0.000 0.253 110 N C -2.745 172.824 175.510 0.099 0.000 1.621 110 N CA -1.223 51.910 53.050 0.138 0.000 0.785 110 N CB 1.442 40.053 38.487 0.207 0.000 1.332 110 N HN 0.305 nan 8.380 nan 0.000 0.514 111 P HA 0.154 nan 4.420 nan 0.000 0.266 111 P C -2.134 174.944 177.300 -0.370 0.000 1.195 111 P CA -0.568 62.129 63.100 -0.672 0.000 0.768 111 P CB 0.841 31.953 31.700 -0.981 0.000 0.838 112 P HA 0.178 nan 4.420 nan 0.000 0.258 112 P C -0.269 176.974 177.300 -0.096 0.000 1.416 112 P CA -0.223 62.724 63.100 -0.254 0.000 0.927 112 P CB 0.051 31.581 31.700 -0.284 0.000 1.444 113 F N 1.440 121.515 119.950 0.209 0.000 2.410 113 F HA 0.246 4.788 4.527 0.025 0.000 0.334 113 F C 1.384 177.353 175.800 0.282 0.000 1.134 113 F CA -0.676 57.447 58.000 0.205 0.000 1.227 113 F CB 0.350 39.416 39.000 0.110 0.000 1.194 113 F HN -0.197 nan 8.300 nan 0.000 0.571 114 V N -0.881 119.299 119.914 0.444 0.000 3.155 114 V HA 0.721 4.855 4.120 0.024 0.000 0.313 114 V C -2.804 173.449 176.094 0.266 0.000 1.162 114 V CA -3.000 59.482 62.300 0.304 0.000 1.048 114 V CB 1.403 33.467 31.823 0.402 0.000 1.092 114 V HN 0.493 nan 8.190 nan 0.000 0.447 115 P HA 0.187 nan 4.420 nan 0.000 0.266 115 P C 1.087 178.531 177.300 0.241 0.000 1.195 115 P CA 0.614 63.814 63.100 0.166 0.000 0.768 115 P CB 0.668 32.439 31.700 0.118 0.000 0.838 116 T N -1.102 113.563 114.554 0.185 0.000 2.867 116 T HA -0.093 4.272 4.350 0.024 0.000 0.268 116 T C 0.658 175.467 174.700 0.181 0.000 1.057 116 T CA 0.937 63.149 62.100 0.186 0.000 1.136 116 T CB -0.373 68.569 68.868 0.122 0.000 0.874 116 T HN 0.261 nan 8.240 nan 0.000 0.466 117 E N 3.075 123.382 120.200 0.178 0.000 1.861 117 E HA 0.262 4.626 4.350 0.024 0.000 0.263 117 E C -0.735 176.020 176.600 0.257 0.000 1.137 117 E CA -0.143 56.367 56.400 0.183 0.000 0.944 117 E CB 0.011 29.823 29.700 0.187 0.000 1.092 117 E HN 0.351 nan 8.360 nan 0.000 0.420 118 N N 3.541 122.364 118.700 0.204 0.000 2.558 118 N HA 0.248 5.002 4.740 0.024 0.000 0.242 118 N C -2.787 172.749 175.510 0.045 0.000 0.979 118 N CA -2.371 50.824 53.050 0.241 0.000 0.931 118 N CB 1.135 39.733 38.487 0.186 0.000 1.122 118 N HN -0.071 nan 8.380 nan 0.000 0.508 119 P HA -0.009 nan 4.420 nan 0.000 0.260 119 P C -0.873 176.311 177.300 -0.194 0.000 1.172 119 P CA 0.600 63.669 63.100 -0.052 0.000 0.760 119 P CB 0.411 32.392 31.700 0.468 0.000 0.773 120 T N 2.916 117.084 114.554 -0.643 0.000 2.792 120 T HA 0.557 4.922 4.350 0.024 0.000 0.280 120 T C 0.307 174.503 174.700 -0.841 0.000 0.990 120 T CA -0.576 61.213 62.100 -0.518 0.000 0.960 120 T CB 1.557 70.155 68.868 -0.450 0.000 0.939 120 T HN 0.314 nan 8.240 nan 0.000 0.439 121 G N 1.133 109.550 108.800 -0.638 0.000 2.415 121 G HA2 0.455 4.429 3.960 0.024 0.000 0.317 121 G HA3 0.455 4.429 3.960 0.024 0.000 0.317 121 G C -0.156 174.553 174.900 -0.319 0.000 1.152 121 G CA -0.374 44.290 45.100 -0.726 0.000 0.956 121 G HN 0.878 nan 8.290 nan 0.000 0.458 122 C N 3.526 122.395 119.300 -0.718 0.000 2.227 122 C HA 0.394 4.868 4.460 0.024 0.000 0.333 122 C C -0.308 174.646 174.990 -0.060 0.000 1.145 122 C CA -0.912 57.784 59.018 -0.536 0.000 1.643 122 C CB -1.962 25.015 27.740 -1.272 0.000 2.185 122 C HN 0.616 nan 8.230 nan 0.000 0.497 123 Y N 2.048 122.627 120.300 0.465 0.000 2.352 123 Y HA 0.582 5.146 4.550 0.024 0.000 0.326 123 Y C 0.856 177.237 175.900 0.802 0.000 1.166 123 Y CA -0.048 58.451 58.100 0.665 0.000 1.182 123 Y CB 1.300 40.119 38.460 0.599 0.000 1.216 123 Y HN 0.664 nan 8.280 nan 0.000 0.474 124 S N 2.507 118.723 115.700 0.860 0.000 2.537 124 S HA 0.769 5.253 4.470 0.024 0.000 0.270 124 S C -1.938 172.767 174.600 0.175 0.000 1.142 124 S CA -0.808 57.671 58.200 0.465 0.000 0.870 124 S CB 1.970 65.357 63.200 0.311 0.000 1.112 124 S HN 0.586 nan 8.310 nan 0.000 0.466 125 L N 1.193 122.324 121.223 -0.152 0.000 2.493 125 L HA 0.730 5.085 4.340 0.024 0.000 0.265 125 L C -1.054 175.766 176.870 -0.084 0.000 0.954 125 L CA 0.108 54.694 54.840 -0.424 0.000 0.844 125 L CB 2.335 43.598 42.059 -1.326 0.000 1.302 125 L HN 0.904 nan 8.230 nan 0.000 0.405 126 T N 5.827 120.359 114.554 -0.038 0.000 2.756 126 T HA 0.681 5.045 4.350 0.024 0.000 0.290 126 T C -0.800 173.947 174.700 0.079 0.000 0.985 126 T CA -0.019 62.092 62.100 0.018 0.000 0.955 126 T CB 0.028 68.876 68.868 -0.035 0.000 0.930 126 T HN 0.407 nan 8.240 nan 0.000 0.451 127 F N 1.247 121.097 119.950 -0.165 0.000 2.640 127 F HA 0.785 5.326 4.527 0.024 0.000 0.324 127 F C -0.637 175.087 175.800 -0.127 0.000 1.077 127 F CA -2.014 55.892 58.000 -0.157 0.000 0.965 127 F CB 1.011 39.898 39.000 -0.188 0.000 1.351 127 F HN 0.323 nan 8.300 nan 0.000 0.487 128 N N 0.060 118.683 118.700 -0.129 0.000 2.443 128 N HA 0.642 5.397 4.740 0.024 0.000 0.295 128 N C -1.997 173.386 175.510 -0.213 0.000 1.076 128 N CA -0.439 52.480 53.050 -0.220 0.000 0.919 128 N CB 1.795 40.203 38.487 -0.131 0.000 1.176 128 N HN 0.625 nan 8.380 nan 0.000 0.487 129 V N 2.631 122.389 119.914 -0.261 0.000 2.531 129 V HA 0.261 4.395 4.120 0.024 0.000 0.301 129 V C -0.463 175.517 176.094 -0.190 0.000 1.034 129 V CA -0.999 61.160 62.300 -0.234 0.000 0.865 129 V CB 1.497 33.235 31.823 -0.141 0.000 0.995 129 V HN 0.756 nan 8.190 nan 0.000 0.424 130 D N 2.698 122.944 120.400 -0.257 0.000 2.345 130 D HA 0.062 4.717 4.640 0.024 0.000 0.247 130 D C 1.045 177.357 176.300 0.020 0.000 1.108 130 D CA -0.060 53.867 54.000 -0.121 0.000 0.894 130 D CB 1.945 42.666 40.800 -0.132 0.000 1.203 130 D HN 0.771 nan 8.370 nan 0.000 0.430 131 E N 1.919 122.139 120.200 0.033 0.000 2.130 131 E HA -0.249 4.116 4.350 0.024 0.000 0.196 131 E C 1.727 178.401 176.600 0.123 0.000 0.998 131 E CA 2.178 58.619 56.400 0.068 0.000 0.806 131 E CB -0.127 29.596 29.700 0.038 0.000 0.738 131 E HN 0.463 nan 8.360 nan 0.000 0.459 132 S N -0.951 114.832 115.700 0.138 0.000 2.420 132 S HA -0.190 4.295 4.470 0.024 0.000 0.237 132 S C 1.715 176.419 174.600 0.173 0.000 1.023 132 S CA 1.113 59.397 58.200 0.141 0.000 0.991 132 S CB -0.834 62.449 63.200 0.139 0.000 0.792 132 S HN 0.455 nan 8.310 nan 0.000 0.488 133 W N 1.469 122.734 121.300 -0.058 0.000 2.518 133 W HA 0.392 5.066 4.660 0.024 0.000 0.273 133 W C 1.849 178.456 176.519 0.147 0.000 1.247 133 W CA -0.067 57.263 57.345 -0.026 0.000 1.288 133 W CB -0.351 29.134 29.460 0.043 0.000 1.107 133 W HN 0.299 nan 8.180 nan 0.000 0.586 134 L N -0.727 120.676 121.223 0.301 0.000 2.590 134 L HA 0.094 4.449 4.340 0.024 0.000 0.227 134 L C 1.997 178.953 176.870 0.143 0.000 1.099 134 L CA 0.341 55.308 54.840 0.211 0.000 0.872 134 L CB -0.482 41.672 42.059 0.158 0.000 1.088 134 L HN -0.087 nan 8.230 nan 0.000 0.479 135 Q N 0.896 120.771 119.800 0.126 0.000 2.378 135 Q HA -0.041 4.314 4.340 0.024 0.000 0.205 135 Q C 0.061 176.110 176.000 0.082 0.000 0.954 135 Q CA 0.678 56.531 55.803 0.084 0.000 0.901 135 Q CB 0.434 29.211 28.738 0.065 0.000 0.981 135 Q HN 0.583 nan 8.270 nan 0.000 0.483 136 E N -2.218 118.053 120.200 0.117 0.000 2.416 136 E HA 0.516 4.880 4.350 0.024 0.000 0.280 136 E C -0.307 176.395 176.600 0.170 0.000 1.055 136 E CA -0.569 55.895 56.400 0.105 0.000 0.825 136 E CB 1.120 30.866 29.700 0.077 0.000 1.312 136 E HN 0.049 nan 8.360 nan 0.000 0.452 137 G N 0.773 109.605 108.800 0.054 0.000 2.693 137 G HA2 -0.234 3.741 3.960 0.024 0.000 0.226 137 G HA3 -0.234 3.741 3.960 0.024 0.000 0.226 137 G C -0.864 173.918 174.900 -0.197 0.000 1.354 137 G CA 0.033 45.062 45.100 -0.117 0.000 0.873 137 G HN 0.760 nan 8.290 nan 0.000 0.562 138 Q N -0.546 118.995 119.800 -0.431 0.000 2.340 138 Q HA 0.640 4.994 4.340 0.024 0.000 0.268 138 Q C -0.991 174.835 176.000 -0.291 0.000 1.031 138 Q CA -0.488 55.166 55.803 -0.247 0.000 0.804 138 Q CB 1.556 30.197 28.738 -0.163 0.000 1.286 138 Q HN 0.606 nan 8.270 nan 0.000 0.448 139 T N 5.051 119.596 114.554 -0.015 0.000 2.788 139 T HA 0.436 4.800 4.350 0.024 0.000 0.296 139 T C -0.625 174.177 174.700 0.170 0.000 1.009 139 T CA -0.618 61.570 62.100 0.146 0.000 0.949 139 T CB 0.406 69.503 68.868 0.383 0.000 0.946 139 T HN 0.618 nan 8.240 nan 0.000 0.453 140 R N 2.814 123.402 120.500 0.146 0.000 2.787 140 R HA 0.732 5.086 4.340 0.024 0.000 0.271 140 R C -0.958 175.440 176.300 0.163 0.000 0.993 140 R CA -1.014 55.179 56.100 0.156 0.000 0.993 140 R CB 1.210 31.579 30.300 0.115 0.000 1.155 140 R HN 0.368 nan 8.270 nan 0.000 0.486 141 I N 2.896 123.570 120.570 0.172 0.000 2.412 141 I HA 0.395 4.580 4.170 0.024 0.000 0.296 141 I C -1.048 175.113 176.117 0.074 0.000 0.987 141 I CA -1.606 59.741 61.300 0.078 0.000 1.180 141 I CB 1.792 39.852 38.000 0.099 0.000 1.340 141 I HN 0.663 nan 8.210 nan 0.000 0.455 142 I N 8.160 128.665 120.570 -0.108 0.000 2.410 142 I HA 0.289 4.473 4.170 0.024 0.000 0.286 142 I C -0.912 175.043 176.117 -0.271 0.000 1.009 142 I CA -0.523 60.733 61.300 -0.073 0.000 1.111 142 I CB 1.006 38.979 38.000 -0.045 0.000 1.262 142 I HN 0.294 nan 8.210 nan 0.000 0.443 143 F N 4.540 124.490 119.950 -0.000 0.000 2.308 143 F HA 0.340 4.881 4.527 0.024 0.000 0.370 143 F C 1.503 177.195 175.800 -0.180 0.000 1.100 143 F CA -0.452 57.473 58.000 -0.125 0.000 1.108 143 F CB 0.878 39.772 39.000 -0.177 0.000 1.293 143 F HN 0.406 nan 8.300 nan 0.000 0.478 144 D N 2.340 122.656 120.400 -0.140 0.000 2.219 144 D HA 0.024 4.679 4.640 0.024 0.000 0.205 144 D C 1.029 177.153 176.300 -0.293 0.000 0.970 144 D CA 0.952 54.822 54.000 -0.216 0.000 0.851 144 D CB 0.391 41.004 40.800 -0.311 0.000 0.943 144 D HN 0.628 nan 8.370 nan 0.000 0.488 145 G N -0.311 108.248 108.800 -0.402 0.000 2.505 145 G HA2 0.432 4.406 3.960 0.024 0.000 0.292 145 G HA3 0.432 4.406 3.960 0.024 0.000 0.292 145 G C -1.415 173.183 174.900 -0.505 0.000 1.332 145 G CA -0.425 44.312 45.100 -0.606 0.000 1.286 145 G HN -0.053 nan 8.290 nan 0.000 0.606 146 V N 2.640 122.461 119.914 -0.154 0.000 2.577 146 V HA 0.543 4.677 4.120 0.024 0.000 0.303 146 V C -0.784 175.376 176.094 0.111 0.000 1.042 146 V CA -1.210 61.008 62.300 -0.138 0.000 0.872 146 V CB 1.982 33.425 31.823 -0.634 0.000 0.998 146 V HN 0.686 nan 8.190 nan 0.000 0.423 147 N N 2.344 121.109 118.700 0.108 0.000 2.446 147 N HA 0.318 5.073 4.740 0.024 0.000 0.265 147 N C 0.617 176.066 175.510 -0.101 0.000 0.975 147 N CA 0.148 53.176 53.050 -0.037 0.000 0.928 147 N CB 2.223 40.530 38.487 -0.300 0.000 1.160 147 N HN 0.718 nan 8.380 nan 0.000 0.495 148 S N 1.812 117.491 115.700 -0.035 0.000 2.526 148 S HA 0.562 5.046 4.470 0.024 0.000 0.220 148 S C 0.346 175.010 174.600 0.107 0.000 1.017 148 S CA -0.009 58.216 58.200 0.042 0.000 0.930 148 S CB 0.382 63.623 63.200 0.069 0.000 0.856 148 S HN 0.648 nan 8.310 nan 0.000 0.497 149 A N 0.858 123.757 122.820 0.133 0.000 2.610 149 A HA 0.791 5.125 4.320 0.024 0.000 0.291 149 A C -1.406 176.320 177.584 0.236 0.000 1.086 149 A CA -0.890 51.215 52.037 0.113 0.000 0.677 149 A CB 0.933 20.013 19.000 0.134 0.000 1.278 149 A HN 1.116 nan 8.150 nan 0.000 0.414 150 F N -0.902 118.919 119.950 -0.215 0.000 2.719 150 F HA 0.730 5.271 4.527 0.024 0.000 0.309 150 F C -1.404 174.337 175.800 -0.099 0.000 1.138 150 F CA -0.799 57.148 58.000 -0.089 0.000 0.943 150 F CB 0.909 39.827 39.000 -0.137 0.000 1.304 150 F HN 0.632 nan 8.300 nan 0.000 0.445 151 H N 1.872 121.025 119.070 0.138 0.000 2.492 151 H HA 0.734 5.304 4.556 0.024 0.000 0.345 151 H C -1.464 173.734 175.328 -0.216 0.000 1.136 151 H CA -0.734 55.254 56.048 -0.099 0.000 1.202 151 H CB 2.492 32.220 29.762 -0.058 0.000 1.524 151 H HN 0.809 nan 8.280 nan 0.000 0.506 152 L N 3.017 123.936 121.223 -0.507 0.000 2.365 152 L HA 0.419 4.773 4.340 0.024 0.000 0.273 152 L C -1.520 175.008 176.870 -0.571 0.000 1.000 152 L CA -0.480 54.125 54.840 -0.391 0.000 0.819 152 L CB 1.319 43.005 42.059 -0.622 0.000 1.284 152 L HN 0.498 nan 8.230 nan 0.000 0.418 153 W N 4.299 125.539 121.300 -0.100 0.000 2.844 153 W HA 0.582 5.257 4.660 0.024 0.000 0.340 153 W C -1.206 175.248 176.519 -0.108 0.000 1.093 153 W CA -0.771 56.511 57.345 -0.104 0.000 1.212 153 W CB 2.058 31.488 29.460 -0.050 0.000 1.422 153 W HN 0.578 nan 8.180 nan 0.000 0.515 154 C N 4.828 124.208 119.300 0.134 0.000 2.446 154 C HA 0.287 4.761 4.460 0.024 0.000 0.329 154 C C 0.285 175.391 174.990 0.192 0.000 1.166 154 C CA -0.359 58.740 59.018 0.134 0.000 1.341 154 C CB -0.547 27.234 27.740 0.069 0.000 1.970 154 C HN 0.808 nan 8.230 nan 0.000 0.452 155 N N 3.570 122.340 118.700 0.116 0.000 2.721 155 N HA -0.198 4.556 4.740 0.024 0.000 0.249 155 N C 1.002 176.565 175.510 0.088 0.000 1.072 155 N CA 2.066 55.158 53.050 0.072 0.000 0.710 155 N CB -1.284 37.251 38.487 0.079 0.000 0.993 155 N HN 1.818 nan 8.380 nan 0.000 0.547 156 G N -1.237 107.614 108.800 0.085 0.000 2.217 156 G HA2 -0.356 3.618 3.960 0.024 0.000 0.246 156 G HA3 -0.356 3.618 3.960 0.024 0.000 0.246 156 G C 0.124 175.187 174.900 0.272 0.000 0.990 156 G CA 0.500 45.651 45.100 0.085 0.000 0.627 156 G HN 0.539 nan 8.290 nan 0.000 0.522 157 R N -0.746 119.973 120.500 0.364 0.000 2.368 157 R HA 0.444 4.798 4.340 0.024 0.000 0.302 157 R C -0.167 176.418 176.300 0.475 0.000 1.002 157 R CA -0.798 55.590 56.100 0.481 0.000 0.929 157 R CB 0.974 31.613 30.300 0.565 0.000 1.073 157 R HN 0.242 nan 8.270 nan 0.000 0.464 158 W N 3.855 125.298 121.300 0.238 0.000 2.303 158 W HA 0.092 4.766 4.660 0.024 0.000 0.318 158 W C 0.068 176.424 176.519 -0.272 0.000 1.362 158 W CA -0.060 57.122 57.345 -0.273 0.000 1.234 158 W CB 0.645 29.940 29.460 -0.275 0.000 1.248 158 W HN 0.345 nan 8.180 nan 0.000 0.546 159 V N 5.614 124.781 119.914 -1.245 0.000 2.490 159 V HA 0.507 4.641 4.120 0.024 0.000 0.238 159 V C 1.111 176.233 176.094 -1.620 0.000 1.056 159 V CA 1.169 62.674 62.300 -1.326 0.000 1.075 159 V CB -0.626 30.481 31.823 -1.194 0.000 0.746 159 V HN 0.789 nan 8.190 nan 0.000 0.479 160 G N -1.986 105.655 108.800 -1.931 0.000 2.490 160 G HA2 0.494 4.468 3.960 0.024 0.000 0.308 160 G HA3 0.494 4.468 3.960 0.024 0.000 0.308 160 G C -2.425 172.028 174.900 -0.744 0.000 1.286 160 G CA -0.309 43.969 45.100 -1.371 0.000 0.825 160 G HN 0.006 nan 8.290 nan 0.000 0.479 161 Y N -0.483 119.607 120.300 -0.350 0.000 2.553 161 Y HA 0.722 5.286 4.550 0.024 0.000 0.347 161 Y C -0.072 175.637 175.900 -0.318 0.000 1.019 161 Y CA -0.234 57.611 58.100 -0.425 0.000 1.032 161 Y CB 2.326 40.691 38.460 -0.158 0.000 1.284 161 Y HN 1.150 nan 8.280 nan 0.000 0.466 162 G N 3.858 111.873 108.800 -1.307 0.000 2.733 162 G HA2 0.564 4.538 3.960 0.024 0.000 0.297 162 G HA3 0.564 4.538 3.960 0.024 0.000 0.297 162 G C -2.119 172.371 174.900 -0.683 0.000 1.422 162 G CA -0.853 43.782 45.100 -0.775 0.000 0.942 162 G HN 0.615 nan 8.290 nan 0.000 0.510 163 Q N -0.063 119.547 119.800 -0.317 0.000 2.552 163 Q HA 0.592 4.947 4.340 0.024 0.000 0.289 163 Q C -1.320 174.681 176.000 0.002 0.000 1.097 163 Q CA -0.835 54.894 55.803 -0.123 0.000 0.812 163 Q CB 2.684 31.385 28.738 -0.062 0.000 1.460 163 Q HN 0.663 nan 8.270 nan 0.000 0.452 164 D N -0.122 120.314 120.400 0.060 0.000 4.303 164 D HA -0.094 4.560 4.640 0.024 0.000 0.230 164 D C -0.465 175.896 176.300 0.101 0.000 1.172 164 D CA 0.474 54.525 54.000 0.085 0.000 1.001 164 D CB -0.534 40.300 40.800 0.056 0.000 0.641 164 D HN 0.554 nan 8.370 nan 0.000 0.296 165 S N 3.372 119.146 115.700 0.123 0.000 2.507 165 S HA -0.082 4.403 4.470 0.024 0.000 0.235 165 S C 1.559 176.297 174.600 0.230 0.000 0.988 165 S CA 0.578 58.882 58.200 0.172 0.000 0.944 165 S CB 0.248 63.511 63.200 0.105 0.000 0.762 165 S HN 0.472 nan 8.310 nan 0.000 0.526 166 R N 0.195 120.786 120.500 0.152 0.000 2.509 166 R HA 0.430 4.785 4.340 0.024 0.000 0.300 166 R C -0.347 176.008 176.300 0.091 0.000 0.985 166 R CA 0.058 56.245 56.100 0.144 0.000 1.092 166 R CB 0.114 30.516 30.300 0.170 0.000 1.237 166 R HN 0.337 nan 8.270 nan 0.000 0.546 167 L N 1.886 123.136 121.223 0.044 0.000 2.371 167 L HA 0.496 4.850 4.340 0.024 0.000 0.262 167 L C -2.324 174.524 176.870 -0.037 0.000 1.006 167 L CA -2.274 52.565 54.840 -0.003 0.000 0.818 167 L CB 3.029 45.081 42.059 -0.010 0.000 1.354 167 L HN -0.202 nan 8.230 nan 0.000 0.415 168 P HA 0.069 nan 4.420 nan 0.000 0.271 168 P C -0.904 176.373 177.300 -0.039 0.000 1.216 168 P CA -0.175 62.885 63.100 -0.066 0.000 0.776 168 P CB 1.245 32.873 31.700 -0.120 0.000 0.881 169 S N 1.870 117.615 115.700 0.075 0.000 2.498 169 S HA 0.293 4.778 4.470 0.024 0.000 0.317 169 S C -0.411 174.221 174.600 0.053 0.000 1.090 169 S CA -0.546 57.684 58.200 0.050 0.000 1.089 169 S CB 0.799 64.204 63.200 0.341 0.000 0.997 169 S HN 0.376 nan 8.310 nan 0.000 0.470 170 E N 2.057 122.087 120.200 -0.284 0.000 2.212 170 E HA 0.587 4.951 4.350 0.024 0.000 0.268 170 E C -1.424 174.848 176.600 -0.547 0.000 0.902 170 E CA -0.557 55.736 56.400 -0.179 0.000 0.779 170 E CB 1.596 31.263 29.700 -0.055 0.000 1.172 170 E HN 0.406 nan 8.360 nan 0.000 0.409 171 F N 0.636 120.646 119.950 0.101 0.000 2.578 171 F HA 0.188 4.730 4.527 0.024 0.000 0.311 171 F C -0.087 175.744 175.800 0.051 0.000 1.094 171 F CA -1.106 56.915 58.000 0.036 0.000 0.923 171 F CB 1.580 40.566 39.000 -0.023 0.000 1.230 171 F HN 0.271 nan 8.300 nan 0.000 0.450 172 D N 3.125 123.653 120.400 0.213 0.000 2.325 172 D HA 0.228 4.882 4.640 0.024 0.000 0.251 172 D C 0.277 176.724 176.300 0.244 0.000 1.196 172 D CA 0.292 54.404 54.000 0.186 0.000 0.866 172 D CB 0.984 41.872 40.800 0.147 0.000 1.101 172 D HN 0.595 nan 8.370 nan 0.000 0.476 173 L N 2.828 124.202 121.223 0.252 0.000 2.667 173 L HA 0.045 4.399 4.340 0.024 0.000 0.232 173 L C 2.130 179.219 176.870 0.364 0.000 1.138 173 L CA -0.196 54.842 54.840 0.330 0.000 0.921 173 L CB 0.113 42.329 42.059 0.262 0.000 1.180 173 L HN 0.262 nan 8.230 nan 0.000 0.487 174 S N 1.314 117.172 115.700 0.264 0.000 2.380 174 S HA -0.258 4.226 4.470 0.024 0.000 0.229 174 S C 1.980 176.670 174.600 0.149 0.000 1.043 174 S CA 1.852 60.165 58.200 0.189 0.000 1.038 174 S CB -0.095 63.176 63.200 0.118 0.000 0.872 174 S HN 0.569 nan 8.310 nan 0.000 0.456 175 A N -0.784 122.106 122.820 0.118 0.000 2.275 175 A HA 0.396 4.730 4.320 0.024 0.000 0.212 175 A C 1.280 178.725 177.584 -0.232 0.000 1.201 175 A CA 0.100 52.085 52.037 -0.086 0.000 0.843 175 A CB -0.321 18.554 19.000 -0.209 0.000 0.873 175 A HN 0.466 nan 8.150 nan 0.000 0.492 176 F N -0.467 119.524 119.950 0.069 0.000 2.622 176 F HA 0.348 4.889 4.527 0.024 0.000 0.288 176 F C 0.805 176.640 175.800 0.058 0.000 1.120 176 F CA -0.104 57.935 58.000 0.065 0.000 1.423 176 F CB -0.015 39.029 39.000 0.073 0.000 1.127 176 F HN -0.029 nan 8.300 nan 0.000 0.588 177 L N 1.563 122.932 121.223 0.242 0.000 2.453 177 L HA 0.385 4.740 4.340 0.024 0.000 0.261 177 L C 0.287 177.197 176.870 0.066 0.000 1.179 177 L CA -0.464 54.460 54.840 0.140 0.000 0.813 177 L CB 0.739 42.898 42.059 0.167 0.000 1.110 177 L HN 0.080 nan 8.230 nan 0.000 0.466 178 R N 1.331 121.834 120.500 0.004 0.000 2.795 178 R HA 0.773 5.127 4.340 0.024 0.000 0.275 178 R C -1.066 175.209 176.300 -0.041 0.000 0.981 178 R CA -0.926 55.166 56.100 -0.013 0.000 0.917 178 R CB 1.551 31.833 30.300 -0.030 0.000 1.202 178 R HN 0.555 nan 8.270 nan 0.000 0.469 179 A N 1.505 124.311 122.820 -0.024 0.000 2.520 179 A HA 0.484 4.819 4.320 0.024 0.000 0.245 179 A C 1.056 178.596 177.584 -0.073 0.000 1.072 179 A CA 1.134 53.150 52.037 -0.035 0.000 0.761 179 A CB -0.672 18.320 19.000 -0.013 0.000 1.004 179 A HN 1.366 nan 8.150 nan 0.000 0.499 180 G N 1.213 109.951 108.800 -0.105 0.000 2.516 180 G HA2 -0.137 3.837 3.960 0.024 0.000 0.220 180 G HA3 -0.137 3.837 3.960 0.024 0.000 0.220 180 G C -0.002 174.781 174.900 -0.195 0.000 1.165 180 G CA 0.167 45.192 45.100 -0.125 0.000 1.013 180 G HN 1.231 nan 8.290 nan 0.000 0.590 181 E N 1.173 121.265 120.200 -0.181 0.000 2.316 181 E HA 0.449 4.814 4.350 0.024 0.000 0.275 181 E C -0.163 176.259 176.600 -0.297 0.000 1.029 181 E CA -0.380 55.879 56.400 -0.236 0.000 0.871 181 E CB 0.139 29.747 29.700 -0.154 0.000 1.022 181 E HN 0.460 nan 8.360 nan 0.000 0.418 182 N N 3.534 121.934 118.700 -0.499 0.000 2.321 182 N HA 0.391 5.146 4.740 0.024 0.000 0.290 182 N C -1.218 174.062 175.510 -0.383 0.000 1.212 182 N CA -0.737 52.010 53.050 -0.505 0.000 0.767 182 N CB 2.051 40.050 38.487 -0.812 0.000 1.494 182 N HN 0.427 nan 8.380 nan 0.000 0.479 183 R N 1.277 121.706 120.500 -0.118 0.000 2.538 183 R HA 0.482 4.837 4.340 0.024 0.000 0.292 183 R C -1.357 175.013 176.300 0.115 0.000 1.008 183 R CA -0.488 55.623 56.100 0.019 0.000 0.896 183 R CB 1.119 31.387 30.300 -0.054 0.000 1.187 183 R HN 0.481 nan 8.270 nan 0.000 0.440 184 L N 3.039 124.366 121.223 0.174 0.000 2.325 184 L HA 0.744 5.098 4.340 0.024 0.000 0.279 184 L C -0.243 176.682 176.870 0.091 0.000 1.054 184 L CA -0.915 54.023 54.840 0.164 0.000 0.804 184 L CB 1.938 44.090 42.059 0.155 0.000 1.200 184 L HN 0.748 nan 8.230 nan 0.000 0.436 185 A N 3.215 126.101 122.820 0.109 0.000 2.332 185 A HA 0.721 5.056 4.320 0.024 0.000 0.300 185 A C -0.986 176.874 177.584 0.460 0.000 1.153 185 A CA -0.440 51.555 52.037 -0.070 0.000 0.764 185 A CB 1.331 19.884 19.000 -0.745 0.000 1.174 185 A HN 0.377 nan 8.150 nan 0.000 0.467 186 V N 3.491 123.860 119.914 0.757 0.000 2.407 186 V HA 0.454 4.589 4.120 0.024 0.000 0.291 186 V C -0.041 176.592 176.094 0.899 0.000 1.018 186 V CA -0.293 62.465 62.300 0.763 0.000 0.842 186 V CB 1.465 33.586 31.823 0.495 0.000 0.996 186 V HN 0.960 nan 8.190 nan 0.000 0.426 187 M N 6.121 126.241 119.600 0.867 0.000 2.055 187 M HA 0.531 5.026 4.480 0.024 0.000 0.347 187 M C -1.372 175.183 176.300 0.425 0.000 1.123 187 M CA -0.354 55.275 55.300 0.549 0.000 1.035 187 M CB 0.995 33.952 32.600 0.595 0.000 1.484 187 M HN 0.475 nan 8.290 nan 0.000 0.428 188 V N 6.882 127.019 119.914 0.372 0.000 2.370 188 V HA 0.361 4.495 4.120 0.024 0.000 0.279 188 V C -0.066 176.199 176.094 0.286 0.000 1.029 188 V CA -0.622 61.898 62.300 0.367 0.000 0.870 188 V CB 1.259 33.379 31.823 0.495 0.000 0.984 188 V HN 0.793 nan 8.190 nan 0.000 0.451 189 L N 5.081 126.397 121.223 0.155 0.000 2.292 189 L HA 0.500 4.854 4.340 0.024 0.000 0.284 189 L C 1.577 178.471 176.870 0.040 0.000 1.065 189 L CA -0.332 54.522 54.840 0.024 0.000 0.806 189 L CB 1.133 43.089 42.059 -0.172 0.000 1.175 189 L HN 0.631 nan 8.230 nan 0.000 0.431 190 R N 2.853 123.334 120.500 -0.032 0.000 2.075 190 R HA -0.055 4.299 4.340 0.024 0.000 0.232 190 R C -0.343 175.637 176.300 -0.533 0.000 1.126 190 R CA 1.256 57.100 56.100 -0.425 0.000 0.963 190 R CB 0.221 30.117 30.300 -0.673 0.000 0.858 190 R HN 0.565 nan 8.270 nan 0.000 0.435 191 W N 0.108 121.475 121.300 0.112 0.000 2.627 191 W HA 0.429 5.103 4.660 0.023 0.000 0.339 191 W C -0.359 176.265 176.519 0.175 0.000 1.058 191 W CA -0.810 56.601 57.345 0.111 0.000 1.223 191 W CB 1.778 31.305 29.460 0.110 0.000 1.389 191 W HN 0.003 nan 8.180 nan 0.000 0.541 192 S N -1.168 114.812 115.700 0.467 0.000 2.636 192 S HA 0.166 4.650 4.470 0.024 0.000 0.268 192 S C -0.011 174.835 174.600 0.411 0.000 1.159 192 S CA -0.500 57.990 58.200 0.483 0.000 0.815 192 S CB 1.105 64.564 63.200 0.432 0.000 1.130 192 S HN 0.648 nan 8.310 nan 0.000 0.471 193 D N 0.395 121.056 120.400 0.434 0.000 2.309 193 D HA 0.068 4.722 4.640 0.024 0.000 0.212 193 D C 1.696 178.321 176.300 0.542 0.000 0.968 193 D CA 1.192 55.506 54.000 0.523 0.000 0.882 193 D CB -0.593 40.392 40.800 0.308 0.000 0.918 193 D HN 0.711 nan 8.370 nan 0.000 0.503 194 G N 0.059 109.088 108.800 0.382 0.000 2.448 194 G HA2 -0.214 3.760 3.960 0.024 0.000 0.218 194 G HA3 -0.214 3.760 3.960 0.024 0.000 0.218 194 G C 1.674 176.758 174.900 0.308 0.000 1.135 194 G CA 0.514 45.811 45.100 0.329 0.000 0.784 194 G HN 0.299 nan 8.290 nan 0.000 0.543 195 S N 0.048 115.909 115.700 0.269 0.000 2.442 195 S HA -0.095 4.390 4.470 0.024 0.000 0.236 195 S C 1.855 176.550 174.600 0.157 0.000 1.007 195 S CA 0.616 58.944 58.200 0.214 0.000 0.965 195 S CB -0.362 62.976 63.200 0.229 0.000 0.773 195 S HN 0.497 nan 8.310 nan 0.000 0.504 196 Y N 1.113 121.528 120.300 0.192 0.000 2.497 196 Y HA 0.129 4.694 4.550 0.024 0.000 0.292 196 Y C 1.520 177.516 175.900 0.161 0.000 1.137 196 Y CA 0.533 58.657 58.100 0.040 0.000 1.285 196 Y CB -0.232 38.124 38.460 -0.173 0.000 0.991 196 Y HN 0.215 nan 8.280 nan 0.000 0.556 197 L N -0.439 120.981 121.223 0.327 0.000 2.769 197 L HA 0.180 4.534 4.340 0.024 0.000 0.240 197 L C -0.056 176.962 176.870 0.247 0.000 1.163 197 L CA 0.322 55.315 54.840 0.256 0.000 0.962 197 L CB 0.151 42.363 42.059 0.254 0.000 1.258 197 L HN 0.085 nan 8.230 nan 0.000 0.513 198 E N -0.077 120.284 120.200 0.269 0.000 4.044 198 E HA 0.054 4.418 4.350 0.024 0.000 0.216 198 E C -0.573 176.159 176.600 0.221 0.000 1.104 198 E CA -0.064 56.481 56.400 0.241 0.000 1.383 198 E CB 0.560 30.389 29.700 0.216 0.000 1.195 198 E HN 0.015 nan 8.360 nan 0.000 0.442 199 D N 1.272 121.770 120.400 0.164 0.000 2.706 199 D HA 0.033 4.687 4.640 0.024 0.000 0.236 199 D C -0.232 176.089 176.300 0.036 0.000 1.231 199 D CA -0.145 53.853 54.000 -0.003 0.000 0.828 199 D CB 0.145 40.721 40.800 -0.372 0.000 1.015 199 D HN 0.053 nan 8.370 nan 0.000 0.484 200 Q N 0.471 120.375 119.800 0.173 0.000 2.395 200 Q HA 0.116 4.470 4.340 0.024 0.000 0.271 200 Q C -0.119 176.012 176.000 0.218 0.000 1.026 200 Q CA 0.092 56.060 55.803 0.275 0.000 0.900 200 Q CB 0.618 29.661 28.738 0.509 0.000 1.266 200 Q HN 0.087 nan 8.270 nan 0.000 0.430 201 D N 3.194 123.747 120.400 0.256 0.000 2.455 201 D HA 0.190 4.845 4.640 0.024 0.000 0.234 201 D C -0.793 175.659 176.300 0.253 0.000 1.224 201 D CA 0.101 54.230 54.000 0.216 0.000 0.999 201 D CB -0.425 40.507 40.800 0.220 0.000 1.072 201 D HN 0.499 nan 8.370 nan 0.000 0.514 202 M N 0.319 120.035 119.600 0.194 0.000 3.012 202 M HA 0.385 4.879 4.480 0.024 0.000 0.272 202 M C -1.338 175.060 176.300 0.164 0.000 1.187 202 M CA -1.179 54.172 55.300 0.084 0.000 0.813 202 M CB 0.995 33.542 32.600 -0.089 0.000 1.626 202 M HN -0.093 nan 8.290 nan 0.000 0.507 203 W N 2.103 123.486 121.300 0.138 0.000 2.223 203 W HA 0.301 4.976 4.660 0.024 0.000 0.334 203 W C 0.230 176.772 176.519 0.038 0.000 1.334 203 W CA 0.057 57.476 57.345 0.123 0.000 1.246 203 W CB 0.334 29.804 29.460 0.018 0.000 1.184 203 W HN 0.285 nan 8.180 nan 0.000 0.563 204 R N 4.979 125.652 120.500 0.289 0.000 2.204 204 R HA 0.420 4.774 4.340 0.024 0.000 0.341 204 R C -0.118 176.200 176.300 0.029 0.000 1.035 204 R CA -0.236 55.962 56.100 0.165 0.000 0.887 204 R CB 0.168 30.640 30.300 0.288 0.000 1.114 204 R HN 0.571 nan 8.270 nan 0.000 0.473 205 M N 0.207 119.712 119.600 -0.158 0.000 2.660 205 M HA 0.528 5.023 4.480 0.024 0.000 0.276 205 M C -0.029 175.929 176.300 -0.570 0.000 1.044 205 M CA -0.770 54.313 55.300 -0.361 0.000 0.901 205 M CB 2.093 34.477 32.600 -0.361 0.000 1.648 205 M HN 0.671 nan 8.290 nan 0.000 0.520 206 S N -1.389 113.843 115.700 -0.780 0.000 2.643 206 S HA 0.871 5.355 4.470 0.024 0.000 0.266 206 S C -0.623 173.461 174.600 -0.860 0.000 1.130 206 S CA -0.247 57.429 58.200 -0.874 0.000 0.817 206 S CB 1.283 63.827 63.200 -1.093 0.000 1.107 206 S HN 1.604 nan 8.310 nan 0.000 0.471 207 G N -0.117 108.408 108.800 -0.458 0.000 2.373 207 G HA2 0.177 4.152 3.960 0.024 0.000 0.634 207 G HA3 0.177 4.152 3.960 0.024 0.000 0.634 207 G C -1.283 173.592 174.900 -0.042 0.000 1.267 207 G CA -0.507 44.622 45.100 0.048 0.000 1.008 207 G HN 1.249 nan 8.290 nan 0.000 0.497 208 I N 2.187 122.569 120.570 -0.313 0.000 2.227 208 I HA 0.250 4.435 4.170 0.024 0.000 0.297 208 I C 1.395 177.370 176.117 -0.237 0.000 1.173 208 I CA -0.244 60.788 61.300 -0.446 0.000 1.356 208 I CB -1.143 36.345 38.000 -0.855 0.000 1.485 208 I HN 0.552 nan 8.210 nan 0.000 0.604 209 F N 3.876 123.661 119.950 -0.276 0.000 2.797 209 F HA 0.389 4.930 4.527 0.023 0.000 0.302 209 F C 0.731 176.433 175.800 -0.164 0.000 1.130 209 F CA -0.441 57.431 58.000 -0.213 0.000 1.387 209 F CB -0.118 38.762 39.000 -0.200 0.000 1.107 209 F HN 0.144 nan 8.300 nan 0.000 0.577 210 R N 0.499 120.557 120.500 -0.736 0.000 2.912 210 R HA 0.226 4.581 4.340 0.024 0.000 0.262 210 R C -0.578 175.493 176.300 -0.382 0.000 1.057 210 R CA -1.123 54.636 56.100 -0.569 0.000 0.981 210 R CB 0.903 30.744 30.300 -0.764 0.000 1.201 210 R HN -0.019 nan 8.270 nan 0.000 0.484 211 D N 0.806 121.032 120.400 -0.291 0.000 2.474 211 D HA 0.041 4.695 4.640 0.024 0.000 0.232 211 D C -0.452 175.702 176.300 -0.244 0.000 1.177 211 D CA 0.631 54.505 54.000 -0.211 0.000 0.876 211 D CB 0.645 41.358 40.800 -0.144 0.000 1.208 211 D HN -0.023 nan 8.370 nan 0.000 0.464 212 V N 1.031 120.816 119.914 -0.215 0.000 2.588 212 V HA 0.558 4.692 4.120 0.024 0.000 0.304 212 V C -0.017 175.955 176.094 -0.202 0.000 1.042 212 V CA -0.522 61.594 62.300 -0.306 0.000 0.877 212 V CB 1.827 33.477 31.823 -0.288 0.000 0.996 212 V HN 0.802 nan 8.190 nan 0.000 0.425 213 S N 4.430 119.991 115.700 -0.231 0.000 2.625 213 S HA 0.804 5.288 4.470 0.024 0.000 0.271 213 S C -1.420 173.131 174.600 -0.082 0.000 1.161 213 S CA -0.950 57.179 58.200 -0.118 0.000 0.820 213 S CB 1.713 64.883 63.200 -0.050 0.000 1.137 213 S HN 0.458 nan 8.310 nan 0.000 0.470 214 L N 1.435 122.671 121.223 0.021 0.000 2.322 214 L HA 0.700 5.054 4.340 0.024 0.000 0.281 214 L C -1.319 175.713 176.870 0.271 0.000 1.014 214 L CA -0.896 54.039 54.840 0.158 0.000 0.815 214 L CB 1.634 43.824 42.059 0.218 0.000 1.247 214 L HN 0.686 nan 8.230 nan 0.000 0.421 215 L N 3.423 124.781 121.223 0.224 0.000 2.381 215 L HA 0.462 4.816 4.340 0.024 0.000 0.274 215 L C -0.704 176.176 176.870 0.016 0.000 0.988 215 L CA -0.133 54.780 54.840 0.120 0.000 0.824 215 L CB 1.385 43.489 42.059 0.074 0.000 1.263 215 L HN 0.483 nan 8.230 nan 0.000 0.410 216 H N 5.377 124.250 119.070 -0.328 0.000 2.488 216 H HA 0.512 5.083 4.556 0.024 0.000 0.322 216 H C -1.302 173.821 175.328 -0.341 0.000 1.078 216 H CA -0.504 55.236 56.048 -0.513 0.000 1.260 216 H CB 1.161 30.159 29.762 -1.275 0.000 1.425 216 H HN 0.563 nan 8.280 nan 0.000 0.471 217 K N 5.402 125.428 120.400 -0.624 0.000 2.385 217 K HA 0.373 4.708 4.320 0.024 0.000 0.248 217 K C -2.794 173.555 176.600 -0.418 0.000 0.955 217 K CA -2.027 54.031 56.287 -0.381 0.000 0.816 217 K CB 2.214 34.551 32.500 -0.272 0.000 1.250 217 K HN 0.470 nan 8.250 nan 0.000 0.434 218 P HA 0.138 nan 4.420 nan 0.000 0.274 218 P C 0.523 177.745 177.300 -0.130 0.000 1.237 218 P CA -0.122 62.905 63.100 -0.121 0.000 0.793 218 P CB 0.552 32.222 31.700 -0.050 0.000 0.977 219 T N -0.547 113.955 114.554 -0.087 0.000 2.720 219 T HA -0.079 4.286 4.350 0.024 0.000 0.268 219 T C 0.624 175.280 174.700 -0.072 0.000 1.037 219 T CA 1.624 63.680 62.100 -0.073 0.000 1.144 219 T CB -0.673 68.171 68.868 -0.040 0.000 0.864 219 T HN 0.444 nan 8.240 nan 0.000 0.444 220 T N 3.796 118.317 114.554 -0.056 0.000 2.723 220 T HA 0.417 4.781 4.350 0.024 0.000 0.297 220 T C -0.128 174.529 174.700 -0.071 0.000 0.925 220 T CA -0.515 61.548 62.100 -0.062 0.000 1.030 220 T CB 0.502 69.354 68.868 -0.026 0.000 0.905 220 T HN 0.487 nan 8.240 nan 0.000 0.502 221 Q N 2.224 121.965 119.800 -0.098 0.000 2.553 221 Q HA 0.607 4.962 4.340 0.024 0.000 0.293 221 Q C -1.270 174.663 176.000 -0.112 0.000 1.038 221 Q CA -1.284 54.448 55.803 -0.118 0.000 0.777 221 Q CB 1.251 29.891 28.738 -0.162 0.000 1.487 221 Q HN 0.273 nan 8.270 nan 0.000 0.426 222 I N 2.821 123.296 120.570 -0.158 0.000 2.337 222 I HA 0.060 4.245 4.170 0.024 0.000 0.291 222 I C 0.818 176.828 176.117 -0.180 0.000 1.046 222 I CA 0.100 61.330 61.300 -0.118 0.000 1.324 222 I CB 0.826 38.718 38.000 -0.179 0.000 1.409 222 I HN 0.953 nan 8.210 nan 0.000 0.494 223 S N 3.177 118.885 115.700 0.013 0.000 2.517 223 S HA 0.179 4.663 4.470 0.024 0.000 0.214 223 S C 0.298 175.122 174.600 0.373 0.000 0.991 223 S CA -0.211 58.067 58.200 0.131 0.000 0.906 223 S CB 0.447 63.681 63.200 0.056 0.000 0.789 223 S HN 0.693 nan 8.310 nan 0.000 0.513 224 D N -0.365 120.262 120.400 0.378 0.000 2.720 224 D HA 0.494 5.149 4.640 0.024 0.000 0.239 224 D C -1.956 174.544 176.300 0.332 0.000 1.218 224 D CA -0.713 53.498 54.000 0.352 0.000 0.748 224 D CB 1.295 42.180 40.800 0.142 0.000 1.387 224 D HN 0.205 nan 8.370 nan 0.000 0.438 225 F N -0.393 119.638 119.950 0.135 0.000 2.639 225 F HA 0.557 5.099 4.527 0.024 0.000 0.320 225 F C -1.658 174.254 175.800 0.185 0.000 1.128 225 F CA -0.749 57.278 58.000 0.045 0.000 1.037 225 F CB 0.993 40.058 39.000 0.109 0.000 1.288 225 F HN 0.270 nan 8.300 nan 0.000 0.463 226 H N 2.458 121.586 119.070 0.097 0.000 2.489 226 H HA 0.764 5.334 4.556 0.024 0.000 0.343 226 H C -1.168 174.201 175.328 0.069 0.000 1.086 226 H CA -1.557 54.488 56.048 -0.005 0.000 1.198 226 H CB 2.636 32.381 29.762 -0.030 0.000 1.490 226 H HN 0.595 nan 8.280 nan 0.000 0.504 227 V N 2.293 122.299 119.914 0.154 0.000 2.459 227 V HA 0.650 4.785 4.120 0.024 0.000 0.295 227 V C -0.198 175.889 176.094 -0.013 0.000 1.029 227 V CA -0.566 61.780 62.300 0.076 0.000 0.874 227 V CB 1.269 33.133 31.823 0.069 0.000 0.985 227 V HN 0.935 nan 8.190 nan 0.000 0.438 228 A N 3.274 126.065 122.820 -0.049 0.000 2.454 228 A HA 0.966 5.300 4.320 0.024 0.000 0.302 228 A C -0.215 177.268 177.584 -0.168 0.000 1.079 228 A CA -0.508 51.479 52.037 -0.083 0.000 0.731 228 A CB 2.119 21.095 19.000 -0.041 0.000 1.299 228 A HN 0.942 nan 8.150 nan 0.000 0.413 229 T N -0.444 113.989 114.554 -0.200 0.000 2.881 229 T HA 0.698 5.063 4.350 0.024 0.000 0.291 229 T C -0.508 173.969 174.700 -0.371 0.000 0.990 229 T CA -0.813 61.072 62.100 -0.358 0.000 0.976 229 T CB 0.956 69.502 68.868 -0.536 0.000 0.970 229 T HN 1.018 nan 8.240 nan 0.000 0.438 230 R N 1.873 122.088 120.500 -0.475 0.000 2.778 230 R HA 0.868 5.222 4.340 0.024 0.000 0.277 230 R C -1.563 174.379 176.300 -0.596 0.000 0.977 230 R CA -0.926 54.981 56.100 -0.321 0.000 0.950 230 R CB 1.243 31.476 30.300 -0.112 0.000 1.165 230 R HN 0.462 nan 8.270 nan 0.000 0.474 231 F N -0.074 119.837 119.950 -0.065 0.000 2.664 231 F HA 0.396 4.936 4.527 0.022 0.000 0.329 231 F C 0.183 175.829 175.800 -0.256 0.000 1.090 231 F CA -1.254 56.647 58.000 -0.165 0.000 0.978 231 F CB 0.845 39.659 39.000 -0.309 0.000 1.378 231 F HN 0.661 nan 8.300 nan 0.000 0.495 232 N N -0.129 118.542 118.700 -0.047 0.000 2.405 232 N HA 0.099 4.853 4.740 0.024 0.000 0.269 232 N C 0.344 175.710 175.510 -0.241 0.000 1.249 232 N CA -0.137 52.852 53.050 -0.100 0.000 0.974 232 N CB 0.130 38.592 38.487 -0.041 0.000 1.204 232 N HN 0.663 nan 8.380 nan 0.000 0.565 233 D N -0.945 119.370 120.400 -0.143 0.000 2.158 233 D HA -0.261 4.393 4.640 0.024 0.000 0.197 233 D C 0.605 176.860 176.300 -0.074 0.000 0.995 233 D CA 1.722 55.649 54.000 -0.122 0.000 0.846 233 D CB -0.514 40.272 40.800 -0.024 0.000 0.941 233 D HN 0.748 nan 8.370 nan 0.000 0.456 234 D N -1.126 119.276 120.400 0.003 0.000 2.368 234 D HA -0.043 4.611 4.640 0.024 0.000 0.218 234 D C 0.093 176.583 176.300 0.317 0.000 1.112 234 D CA -0.756 53.352 54.000 0.179 0.000 0.834 234 D CB -0.844 40.032 40.800 0.127 0.000 0.953 234 D HN 0.230 nan 8.370 nan 0.000 0.505 235 F N 0.754 120.749 119.950 0.074 0.000 3.084 235 F HA -0.277 4.264 4.527 0.023 0.000 0.286 235 F C 1.604 177.476 175.800 0.120 0.000 0.855 235 F CA 0.840 58.895 58.000 0.092 0.000 1.091 235 F CB -2.621 36.329 39.000 -0.083 0.000 1.177 235 F HN 0.187 nan 8.300 nan 0.000 0.542 236 S N -1.342 114.471 115.700 0.187 0.000 2.558 236 S HA 0.305 4.789 4.470 0.024 0.000 0.217 236 S C 0.605 175.263 174.600 0.097 0.000 0.975 236 S CA -0.022 58.256 58.200 0.130 0.000 0.912 236 S CB 0.414 63.667 63.200 0.088 0.000 0.776 236 S HN 0.480 nan 8.310 nan 0.000 0.526 237 R N 0.056 120.622 120.500 0.110 0.000 2.626 237 R HA 0.797 5.151 4.340 0.024 0.000 0.274 237 R C -1.375 174.963 176.300 0.064 0.000 1.031 237 R CA -0.320 55.812 56.100 0.053 0.000 0.898 237 R CB 2.193 32.501 30.300 0.014 0.000 1.222 237 R HN 0.228 nan 8.270 nan 0.000 0.455 238 A N 1.546 124.345 122.820 -0.035 0.000 2.556 238 A HA 0.770 5.105 4.320 0.024 0.000 0.294 238 A C -1.396 176.103 177.584 -0.142 0.000 1.091 238 A CA -0.693 51.234 52.037 -0.183 0.000 0.704 238 A CB 2.087 20.931 19.000 -0.261 0.000 1.300 238 A HN 0.327 nan 8.150 nan 0.000 0.406 239 V N 1.463 121.263 119.914 -0.191 0.000 2.531 239 V HA 0.455 4.589 4.120 0.024 0.000 0.301 239 V C -0.592 175.435 176.094 -0.113 0.000 1.034 239 V CA -0.362 61.871 62.300 -0.111 0.000 0.865 239 V CB 1.456 33.218 31.823 -0.102 0.000 0.995 239 V HN 0.804 nan 8.190 nan 0.000 0.424 240 L N 4.642 125.838 121.223 -0.045 0.000 2.257 240 L HA 0.607 4.961 4.340 0.024 0.000 0.290 240 L C 0.010 176.842 176.870 -0.064 0.000 1.044 240 L CA -0.004 54.789 54.840 -0.079 0.000 0.810 240 L CB 1.026 43.071 42.059 -0.023 0.000 1.193 240 L HN 0.762 nan 8.230 nan 0.000 0.425 241 E N 4.407 124.564 120.200 -0.072 0.000 2.151 241 E HA 0.625 4.989 4.350 0.024 0.000 0.275 241 E C -1.287 175.308 176.600 -0.009 0.000 0.936 241 E CA -0.736 55.641 56.400 -0.037 0.000 0.777 241 E CB 1.635 31.314 29.700 -0.036 0.000 1.108 241 E HN 0.723 nan 8.360 nan 0.000 0.401 242 A N 4.797 127.622 122.820 0.008 0.000 2.310 242 A HA 0.259 4.594 4.320 0.024 0.000 0.304 242 A C -0.599 177.008 177.584 0.037 0.000 1.231 242 A CA -0.658 51.408 52.037 0.049 0.000 0.799 242 A CB 0.936 19.967 19.000 0.051 0.000 1.162 242 A HN 0.734 nan 8.150 nan 0.000 0.486 243 E N 2.625 122.851 120.200 0.043 0.000 2.200 243 E HA 0.524 4.888 4.350 0.024 0.000 0.283 243 E C -1.272 175.320 176.600 -0.013 0.000 1.015 243 E CA -0.310 56.078 56.400 -0.019 0.000 0.819 243 E CB 1.060 30.712 29.700 -0.079 0.000 1.081 243 E HN 0.370 nan 8.360 nan 0.000 0.397 244 V N 4.677 124.600 119.914 0.014 0.000 2.604 244 V HA 0.298 4.432 4.120 0.024 0.000 0.305 244 V C -0.496 175.681 176.094 0.139 0.000 1.043 244 V CA -0.795 61.561 62.300 0.092 0.000 0.888 244 V CB 1.759 33.629 31.823 0.078 0.000 0.995 244 V HN 0.753 nan 8.190 nan 0.000 0.429 245 Q N 3.936 123.811 119.800 0.125 0.000 2.342 245 Q HA 0.832 5.186 4.340 0.024 0.000 0.267 245 Q C -0.816 175.227 176.000 0.071 0.000 1.038 245 Q CA -0.844 55.007 55.803 0.080 0.000 0.832 245 Q CB 2.667 31.388 28.738 -0.029 0.000 1.323 245 Q HN 0.816 nan 8.270 nan 0.000 0.448 246 M N -0.774 118.771 119.600 -0.091 0.000 2.690 246 M HA 0.782 5.277 4.480 0.024 0.000 0.302 246 M C -1.420 174.758 176.300 -0.203 0.000 1.234 246 M CA -0.533 54.645 55.300 -0.203 0.000 0.853 246 M CB 1.604 33.879 32.600 -0.543 0.000 1.748 246 M HN 0.538 nan 8.290 nan 0.000 0.469 247 C N 0.608 119.810 119.300 -0.163 0.000 2.889 247 C HA 1.039 5.514 4.460 0.024 0.000 0.307 247 C C 0.513 175.422 174.990 -0.134 0.000 1.251 247 C CA 0.542 59.485 59.018 -0.125 0.000 1.593 247 C CB 1.217 28.913 27.740 -0.072 0.000 2.104 247 C HN 1.464 nan 8.230 nan 0.000 0.476 248 G N 1.491 110.224 108.800 -0.111 0.000 2.422 248 G HA2 0.029 4.003 3.960 0.024 0.000 0.607 248 G HA3 0.029 4.003 3.960 0.024 0.000 0.607 248 G C -1.051 173.783 174.900 -0.110 0.000 1.270 248 G CA -0.517 44.525 45.100 -0.097 0.000 0.992 248 G HN 0.947 nan 8.290 nan 0.000 0.499 249 E N -0.251 119.895 120.200 -0.090 0.000 2.290 249 E HA 0.430 4.794 4.350 0.024 0.000 0.277 249 E C 0.370 176.886 176.600 -0.140 0.000 1.035 249 E CA -0.468 55.875 56.400 -0.094 0.000 0.873 249 E CB 0.345 30.010 29.700 -0.057 0.000 1.029 249 E HN 0.450 nan 8.360 nan 0.000 0.419 250 L N 5.228 126.356 121.223 -0.159 0.000 2.380 250 L HA 0.313 4.667 4.340 0.024 0.000 0.273 250 L C 0.277 177.022 176.870 -0.208 0.000 1.138 250 L CA -0.192 54.530 54.840 -0.196 0.000 0.832 250 L CB 0.484 42.441 42.059 -0.169 0.000 1.124 250 L HN 0.461 nan 8.230 nan 0.000 0.454 251 R N 1.827 122.144 120.500 -0.305 0.000 2.725 251 R HA 0.216 4.570 4.340 0.024 0.000 0.277 251 R C -0.133 175.913 176.300 -0.423 0.000 0.987 251 R CA -0.802 55.005 56.100 -0.488 0.000 0.901 251 R CB 1.400 31.053 30.300 -1.078 0.000 1.207 251 R HN 0.532 nan 8.270 nan 0.000 0.463 252 D N 1.114 121.339 120.400 -0.292 0.000 2.309 252 D HA -0.136 4.519 4.640 0.024 0.000 0.212 252 D C 1.303 177.560 176.300 -0.071 0.000 0.968 252 D CA 1.522 55.448 54.000 -0.123 0.000 0.882 252 D CB 0.235 41.013 40.800 -0.037 0.000 0.918 252 D HN 0.554 nan 8.370 nan 0.000 0.503 253 Y N -0.105 120.207 120.300 0.019 0.000 2.490 253 Y HA 0.301 4.865 4.550 0.024 0.000 0.281 253 Y C 0.852 176.751 175.900 -0.002 0.000 1.174 253 Y CA -0.554 57.552 58.100 0.009 0.000 1.295 253 Y CB -0.776 37.692 38.460 0.013 0.000 1.062 253 Y HN -0.207 nan 8.280 nan 0.000 0.522 254 L N 2.703 123.905 121.223 -0.034 0.000 2.439 254 L HA 0.313 4.667 4.340 0.024 0.000 0.269 254 L C 0.178 177.023 176.870 -0.041 0.000 1.179 254 L CA -0.054 54.821 54.840 0.058 0.000 0.828 254 L CB 0.532 42.659 42.059 0.113 0.000 1.106 254 L HN 0.185 nan 8.230 nan 0.000 0.467 255 R N 1.909 122.270 120.500 -0.233 0.000 2.739 255 R HA 0.657 5.012 4.340 0.024 0.000 0.271 255 R C -1.599 174.337 176.300 -0.607 0.000 1.010 255 R CA -0.772 55.037 56.100 -0.486 0.000 0.897 255 R CB 2.227 32.155 30.300 -0.621 0.000 1.236 255 R HN 0.264 nan 8.270 nan 0.000 0.466 256 V N 1.044 120.654 119.914 -0.507 0.000 2.588 256 V HA 0.487 4.621 4.120 0.024 0.000 0.304 256 V C -0.467 175.565 176.094 -0.103 0.000 1.042 256 V CA -0.521 61.588 62.300 -0.319 0.000 0.877 256 V CB 2.331 33.884 31.823 -0.450 0.000 0.996 256 V HN 0.727 nan 8.190 nan 0.000 0.425 257 T N 4.184 118.782 114.554 0.073 0.000 2.812 257 T HA 0.616 4.981 4.350 0.024 0.000 0.282 257 T C -0.684 174.031 174.700 0.026 0.000 0.990 257 T CA -0.378 61.777 62.100 0.091 0.000 0.960 257 T CB 1.659 70.624 68.868 0.162 0.000 0.948 257 T HN 0.338 nan 8.240 nan 0.000 0.438 258 V N 3.913 123.825 119.914 -0.002 0.000 2.409 258 V HA 0.645 4.779 4.120 0.024 0.000 0.291 258 V C -0.032 176.063 176.094 0.003 0.000 1.020 258 V CA -0.825 61.473 62.300 -0.003 0.000 0.848 258 V CB 1.589 33.401 31.823 -0.018 0.000 0.990 258 V HN 1.039 nan 8.190 nan 0.000 0.430 259 S N 5.219 120.945 115.700 0.043 0.000 2.513 259 S HA 0.851 5.335 4.470 0.024 0.000 0.299 259 S C -1.040 173.586 174.600 0.043 0.000 1.087 259 S CA -0.772 57.417 58.200 -0.018 0.000 1.012 259 S CB 2.196 65.386 63.200 -0.016 0.000 1.044 259 S HN 0.542 nan 8.310 nan 0.000 0.485 260 L N 2.538 123.708 121.223 -0.088 0.000 2.313 260 L HA 0.783 5.138 4.340 0.024 0.000 0.283 260 L C -1.883 174.981 176.870 -0.010 0.000 1.013 260 L CA -0.381 54.510 54.840 0.085 0.000 0.816 260 L CB 0.631 42.753 42.059 0.104 0.000 1.236 260 L HN 0.880 nan 8.230 nan 0.000 0.419 261 W N 3.629 125.036 121.300 0.179 0.000 2.761 261 W HA 0.612 5.286 4.660 0.024 0.000 0.340 261 W C -0.590 176.016 176.519 0.144 0.000 1.072 261 W CA -0.495 56.929 57.345 0.132 0.000 1.215 261 W CB 1.317 30.805 29.460 0.047 0.000 1.420 261 W HN 0.444 nan 8.180 nan 0.000 0.519 262 Q N 2.350 122.305 119.800 0.257 0.000 2.363 262 Q HA 0.490 4.844 4.340 0.024 0.000 0.265 262 Q C 0.685 176.706 176.000 0.034 0.000 1.032 262 Q CA 0.463 56.233 55.803 -0.055 0.000 0.746 262 Q CB 0.915 29.516 28.738 -0.229 0.000 1.237 262 Q HN 0.800 nan 8.270 nan 0.000 0.475 263 G N 3.809 112.621 108.800 0.021 0.000 2.561 263 G HA2 -0.407 3.567 3.960 0.024 0.000 0.289 263 G HA3 -0.407 3.567 3.960 0.024 0.000 0.289 263 G C 0.291 175.243 174.900 0.087 0.000 1.169 263 G CA 0.533 45.647 45.100 0.023 0.000 0.980 263 G HN 0.819 nan 8.290 nan 0.000 0.550 264 E N -0.137 120.120 120.200 0.095 0.000 2.444 264 E HA 0.339 4.704 4.350 0.024 0.000 0.191 264 E C 0.177 176.973 176.600 0.327 0.000 1.041 264 E CA 0.599 57.087 56.400 0.147 0.000 0.883 264 E CB 0.164 29.900 29.700 0.060 0.000 1.024 264 E HN 0.354 nan 8.360 nan 0.000 0.470 265 T N 1.612 116.340 114.554 0.291 0.000 2.758 265 T HA 0.109 4.473 4.350 0.024 0.000 0.285 265 T C -0.619 174.140 174.700 0.099 0.000 0.981 265 T CA -0.544 61.671 62.100 0.191 0.000 0.965 265 T CB 1.645 70.557 68.868 0.072 0.000 0.927 265 T HN 0.171 nan 8.240 nan 0.000 0.448 266 Q N 2.884 122.512 119.800 -0.286 0.000 2.293 266 Q HA 0.289 4.643 4.340 0.024 0.000 0.263 266 Q C 0.901 176.678 176.000 -0.372 0.000 1.002 266 Q CA -0.439 54.852 55.803 -0.853 0.000 0.910 266 Q CB 0.667 28.601 28.738 -1.340 0.000 1.185 266 Q HN 0.691 nan 8.270 nan 0.000 0.401 267 V N 0.900 120.669 119.914 -0.242 0.000 3.565 267 V HA 0.627 4.762 4.120 0.024 0.000 0.260 267 V C 0.245 176.266 176.094 -0.122 0.000 1.231 267 V CA 0.618 62.857 62.300 -0.102 0.000 1.100 267 V CB 0.040 31.889 31.823 0.044 0.000 0.807 267 V HN 0.658 nan 8.190 nan 0.000 0.454 268 A N -0.719 121.994 122.820 -0.179 0.000 2.597 268 A HA 0.811 5.145 4.320 0.024 0.000 0.292 268 A C -0.691 176.792 177.584 -0.170 0.000 1.057 268 A CA 0.261 52.215 52.037 -0.139 0.000 0.674 268 A CB 1.471 20.424 19.000 -0.079 0.000 1.278 268 A HN 0.809 nan 8.150 nan 0.000 0.416 269 S N -0.707 114.919 115.700 -0.124 0.000 2.543 269 S HA 0.775 5.259 4.470 0.024 0.000 0.274 269 S C -0.607 173.953 174.600 -0.067 0.000 1.149 269 S CA 0.245 58.382 58.200 -0.106 0.000 0.866 269 S CB 1.551 64.670 63.200 -0.136 0.000 1.111 269 S HN 2.359 nan 8.310 nan 0.000 0.457 270 G N 1.731 110.503 108.800 -0.047 0.000 2.719 270 G HA2 0.662 4.636 3.960 0.024 0.000 0.298 270 G HA3 0.662 4.636 3.960 0.024 0.000 0.298 270 G C -1.329 173.555 174.900 -0.026 0.000 1.411 270 G CA -0.422 44.655 45.100 -0.038 0.000 0.991 270 G HN 0.720 nan 8.290 nan 0.000 0.509 271 T N -0.218 114.322 114.554 -0.023 0.000 2.900 271 T HA 0.879 5.243 4.350 0.024 0.000 0.295 271 T C -0.361 174.307 174.700 -0.053 0.000 1.044 271 T CA -0.005 62.087 62.100 -0.014 0.000 0.995 271 T CB 1.880 70.772 68.868 0.041 0.000 1.072 271 T HN 1.689 nan 8.240 nan 0.000 0.473 272 A N 3.133 125.889 122.820 -0.107 0.000 2.599 272 A HA 0.839 5.173 4.320 0.024 0.000 0.294 272 A C -3.147 174.304 177.584 -0.222 0.000 1.055 272 A CA -1.361 50.598 52.037 -0.131 0.000 0.683 272 A CB 1.072 20.000 19.000 -0.119 0.000 1.278 272 A HN 0.536 nan 8.150 nan 0.000 0.412 273 P HA 0.564 nan 4.420 nan 0.000 0.279 273 P C -0.547 176.624 177.300 -0.214 0.000 1.276 273 P CA -0.246 62.748 63.100 -0.176 0.000 0.801 273 P CB 0.414 32.078 31.700 -0.060 0.000 1.127 274 F N -0.446 119.468 119.950 -0.060 0.000 2.444 274 F HA 0.471 5.012 4.527 0.023 0.000 0.331 274 F C 1.485 177.269 175.800 -0.026 0.000 1.167 274 F CA 1.488 59.462 58.000 -0.043 0.000 1.262 274 F CB 0.050 39.020 39.000 -0.051 0.000 1.196 274 F HN 0.605 nan 8.300 nan 0.000 0.583 275 G N 1.236 110.166 108.800 0.216 0.000 2.781 275 G HA2 0.359 4.333 3.960 0.024 0.000 0.468 275 G HA3 0.359 4.333 3.960 0.024 0.000 0.468 275 G C -0.394 174.561 174.900 0.092 0.000 1.186 275 G CA -0.739 44.435 45.100 0.123 0.000 1.220 275 G HN 1.036 nan 8.290 nan 0.000 0.564 276 G N 0.733 109.606 108.800 0.121 0.000 2.621 276 G HA2 0.675 4.650 3.960 0.024 0.000 0.271 276 G HA3 0.675 4.650 3.960 0.024 0.000 0.271 276 G C 0.481 175.423 174.900 0.069 0.000 1.236 276 G CA 0.033 45.195 45.100 0.103 0.000 0.958 276 G HN 1.080 nan 8.290 nan 0.000 0.512 277 E N -0.564 119.670 120.200 0.057 0.000 2.392 277 E HA 0.115 4.479 4.350 0.024 0.000 0.256 277 E C -0.100 176.520 176.600 0.032 0.000 1.145 277 E CA -0.687 55.734 56.400 0.035 0.000 0.929 277 E CB 0.706 30.422 29.700 0.027 0.000 0.998 277 E HN 0.108 nan 8.360 nan 0.000 0.442 278 I N 2.226 122.804 120.570 0.013 0.000 2.752 278 I HA -0.112 4.073 4.170 0.024 0.000 0.289 278 I C 1.162 177.282 176.117 0.005 0.000 1.197 278 I CA 0.559 61.858 61.300 -0.001 0.000 1.432 278 I CB -0.134 37.863 38.000 -0.006 0.000 1.359 278 I HN 0.704 nan 8.210 nan 0.000 0.571 279 I N 3.668 124.232 120.570 -0.009 0.000 3.718 279 I HA 0.002 4.186 4.170 0.024 0.000 0.297 279 I C 0.132 176.243 176.117 -0.011 0.000 1.220 279 I CA 0.385 61.687 61.300 0.004 0.000 1.381 279 I CB 0.410 38.420 38.000 0.016 0.000 1.238 279 I HN 0.675 nan 8.210 nan 0.000 0.448 280 D N -1.598 118.783 120.400 -0.032 0.000 2.838 280 D HA 0.113 4.767 4.640 0.024 0.000 0.334 280 D C 0.267 176.547 176.300 -0.032 0.000 1.315 280 D CA -0.527 53.456 54.000 -0.028 0.000 0.917 280 D CB 0.423 41.205 40.800 -0.030 0.000 1.435 280 D HN -0.281 nan 8.370 nan 0.000 0.517 281 E N -0.963 119.221 120.200 -0.027 0.000 2.219 281 E HA -0.092 4.272 4.350 0.024 0.000 0.198 281 E C 1.227 177.806 176.600 -0.034 0.000 0.998 281 E CA 1.067 57.451 56.400 -0.025 0.000 0.818 281 E CB -0.040 29.648 29.700 -0.020 0.000 0.741 281 E HN 0.206 nan 8.360 nan 0.000 0.477 282 R N -0.177 120.294 120.500 -0.048 0.000 2.356 282 R HA 0.262 4.616 4.340 0.024 0.000 0.234 282 R C 0.846 177.102 176.300 -0.074 0.000 0.929 282 R CA 0.668 56.733 56.100 -0.059 0.000 1.084 282 R CB 0.177 30.436 30.300 -0.069 0.000 1.105 282 R HN 0.231 nan 8.270 nan 0.000 0.515 283 G N -0.493 108.267 108.800 -0.067 0.000 2.513 283 G HA2 -0.177 3.798 3.960 0.024 0.000 0.227 283 G HA3 -0.177 3.798 3.960 0.024 0.000 0.227 283 G C -0.049 174.796 174.900 -0.092 0.000 1.176 283 G CA -0.554 44.506 45.100 -0.067 0.000 0.967 283 G HN 0.565 nan 8.290 nan 0.000 0.587 284 G N -2.240 106.496 108.800 -0.107 0.000 2.827 284 G HA2 0.642 4.617 3.960 0.024 0.000 0.296 284 G HA3 0.642 4.617 3.960 0.024 0.000 0.296 284 G C -1.570 173.216 174.900 -0.189 0.000 1.362 284 G CA -0.540 44.484 45.100 -0.127 0.000 0.809 284 G HN 0.852 nan 8.290 nan 0.000 0.522 285 Y N 1.174 121.480 120.300 0.011 0.000 2.539 285 Y HA 0.409 4.973 4.550 0.023 0.000 0.352 285 Y C 1.481 177.394 175.900 0.022 0.000 1.004 285 Y CA 0.394 58.501 58.100 0.012 0.000 1.278 285 Y CB 1.535 40.006 38.460 0.018 0.000 1.136 285 Y HN 0.557 nan 8.280 nan 0.000 0.528 286 A N 1.957 124.839 122.820 0.103 0.000 2.167 286 A HA -0.101 4.234 4.320 0.024 0.000 0.214 286 A C 1.310 178.939 177.584 0.075 0.000 1.151 286 A CA 1.130 53.212 52.037 0.075 0.000 0.735 286 A CB -0.242 18.767 19.000 0.014 0.000 0.802 286 A HN 0.771 nan 8.150 nan 0.000 0.467 287 D N -0.795 119.646 120.400 0.068 0.000 2.427 287 D HA 0.152 4.806 4.640 0.024 0.000 0.224 287 D C 0.389 176.698 176.300 0.015 0.000 1.157 287 D CA -0.076 53.867 54.000 -0.095 0.000 0.828 287 D CB 0.002 40.740 40.800 -0.104 0.000 0.974 287 D HN 0.372 nan 8.370 nan 0.000 0.498 288 R N -0.845 119.805 120.500 0.251 0.000 2.774 288 R HA 0.738 5.092 4.340 0.024 0.000 0.272 288 R C -1.692 174.784 176.300 0.293 0.000 1.000 288 R CA -1.117 55.148 56.100 0.275 0.000 0.906 288 R CB 3.017 33.354 30.300 0.062 0.000 1.227 288 R HN -0.025 nan 8.270 nan 0.000 0.468 289 V N 0.400 120.403 119.914 0.149 0.000 2.969 289 V HA 0.494 4.629 4.120 0.024 0.000 0.304 289 V C -1.525 174.554 176.094 -0.025 0.000 1.192 289 V CA -0.285 62.019 62.300 0.006 0.000 0.962 289 V CB 2.761 34.470 31.823 -0.190 0.000 1.045 289 V HN 0.811 nan 8.190 nan 0.000 0.428 290 T N 7.293 121.830 114.554 -0.027 0.000 2.786 290 T HA 0.602 4.966 4.350 0.024 0.000 0.283 290 T C -0.957 173.721 174.700 -0.037 0.000 0.992 290 T CA -0.398 61.687 62.100 -0.024 0.000 0.954 290 T CB 1.031 69.894 68.868 -0.009 0.000 0.934 290 T HN 0.432 nan 8.240 nan 0.000 0.440 291 L N 3.655 124.856 121.223 -0.037 0.000 2.309 291 L HA 0.588 4.942 4.340 0.024 0.000 0.282 291 L C 0.431 177.283 176.870 -0.030 0.000 1.036 291 L CA -0.468 54.348 54.840 -0.040 0.000 0.806 291 L CB 1.429 43.461 42.059 -0.045 0.000 1.220 291 L HN 0.538 nan 8.230 nan 0.000 0.429 292 R N 4.041 124.522 120.500 -0.033 0.000 2.439 292 R HA 0.700 5.055 4.340 0.024 0.000 0.310 292 R C -1.161 175.119 176.300 -0.034 0.000 0.955 292 R CA -0.691 55.389 56.100 -0.033 0.000 0.853 292 R CB 2.159 32.439 30.300 -0.033 0.000 1.171 292 R HN 0.473 nan 8.270 nan 0.000 0.449 293 L N 2.789 123.993 121.223 -0.032 0.000 2.333 293 L HA 0.439 4.793 4.340 0.024 0.000 0.280 293 L C -0.301 176.549 176.870 -0.033 0.000 1.004 293 L CA -0.825 53.996 54.840 -0.032 0.000 0.820 293 L CB 2.038 44.084 42.059 -0.022 0.000 1.247 293 L HN 0.557 nan 8.230 nan 0.000 0.416 294 N N 1.813 120.488 118.700 -0.042 0.000 2.472 294 N HA 0.446 5.200 4.740 0.024 0.000 0.277 294 N C -1.096 174.376 175.510 -0.063 0.000 1.081 294 N CA -0.450 52.570 53.050 -0.050 0.000 0.973 294 N CB 1.995 40.455 38.487 -0.045 0.000 1.105 294 N HN 0.185 nan 8.380 nan 0.000 0.470 295 V N 2.254 122.116 119.914 -0.087 0.000 2.482 295 V HA 0.204 4.339 4.120 0.024 0.000 0.295 295 V C -0.535 175.483 176.094 -0.126 0.000 1.026 295 V CA -0.839 61.372 62.300 -0.148 0.000 0.856 295 V CB 1.504 33.136 31.823 -0.319 0.000 1.001 295 V HN 0.590 nan 8.190 nan 0.000 0.424 296 E N 4.094 124.243 120.200 -0.085 0.000 2.227 296 E HA 0.339 4.704 4.350 0.024 0.000 0.282 296 E C 0.117 176.696 176.600 -0.035 0.000 1.015 296 E CA -0.386 55.987 56.400 -0.044 0.000 0.823 296 E CB 0.720 30.405 29.700 -0.024 0.000 1.081 296 E HN 0.661 nan 8.360 nan 0.000 0.396 297 N N 1.572 120.272 118.700 0.000 0.000 2.714 297 N HA -0.114 4.641 4.740 0.024 0.000 0.253 297 N C -2.250 173.263 175.510 0.006 0.000 1.024 297 N CA 0.385 53.451 53.050 0.026 0.000 0.726 297 N CB -1.214 37.290 38.487 0.029 0.000 0.908 297 N HN 0.401 nan 8.380 nan 0.000 0.542 298 P HA 0.041 nan 4.420 nan 0.000 0.269 298 P C -0.070 177.261 177.300 0.052 0.000 1.215 298 P CA 0.257 63.255 63.100 -0.170 0.000 0.780 298 P CB 0.856 32.166 31.700 -0.650 0.000 0.898 299 K N 2.356 122.884 120.400 0.213 0.000 2.316 299 K HA 0.302 4.636 4.320 0.024 0.000 0.289 299 K C 0.215 176.984 176.600 0.281 0.000 1.070 299 K CA -0.426 55.985 56.287 0.207 0.000 0.928 299 K CB 0.225 32.827 32.500 0.169 0.000 1.039 299 K HN 0.409 nan 8.250 nan 0.000 0.480 300 L N 2.428 123.743 121.223 0.154 0.000 2.395 300 L HA 0.279 4.633 4.340 0.024 0.000 0.269 300 L C -0.049 176.902 176.870 0.135 0.000 1.133 300 L CA -0.723 54.203 54.840 0.142 0.000 0.812 300 L CB 0.363 42.353 42.059 -0.114 0.000 1.125 300 L HN 0.610 nan 8.230 nan 0.000 0.452 301 W N 3.156 124.482 121.300 0.043 0.000 2.417 301 W HA 0.494 5.167 4.660 0.023 0.000 0.317 301 W C -0.034 176.439 176.519 -0.077 0.000 1.121 301 W CA 0.070 57.430 57.345 0.026 0.000 1.208 301 W CB 1.353 30.881 29.460 0.113 0.000 1.253 301 W HN 0.627 nan 8.180 nan 0.000 0.533 302 S N 2.959 118.117 115.700 -0.904 0.000 2.643 302 S HA 0.641 5.125 4.470 0.024 0.000 0.270 302 S C 0.038 173.881 174.600 -1.262 0.000 1.166 302 S CA -0.362 57.373 58.200 -0.776 0.000 0.815 302 S CB 1.141 64.132 63.200 -0.348 0.000 1.139 302 S HN 0.971 nan 8.310 nan 0.000 0.472 303 A N 0.275 122.517 122.820 -0.964 0.000 2.066 303 A HA 0.116 4.450 4.320 0.024 0.000 0.218 303 A C 1.732 179.002 177.584 -0.523 0.000 1.157 303 A CA 1.242 52.719 52.037 -0.934 0.000 0.670 303 A CB -0.867 17.438 19.000 -1.158 0.000 0.804 303 A HN 0.856 nan 8.150 nan 0.000 0.453 304 E N -0.708 119.316 120.200 -0.294 0.000 2.046 304 E HA -0.012 4.352 4.350 0.024 0.000 0.190 304 E C -0.325 176.144 176.600 -0.217 0.000 0.982 304 E CA 0.605 56.902 56.400 -0.171 0.000 0.800 304 E CB 0.080 29.822 29.700 0.070 0.000 0.756 304 E HN 0.412 nan 8.360 nan 0.000 0.449 305 I N 1.615 122.033 120.570 -0.253 0.000 2.542 305 I HA 0.147 4.331 4.170 0.024 0.000 0.278 305 I C -2.490 173.407 176.117 -0.367 0.000 1.069 305 I CA -2.386 58.783 61.300 -0.219 0.000 1.100 305 I CB 1.325 39.252 38.000 -0.122 0.000 1.204 305 I HN -0.159 nan 8.210 nan 0.000 0.470 306 P HA 0.074 nan 4.420 nan 0.000 0.225 306 P C -0.200 177.085 177.300 -0.025 0.000 1.768 306 P CA -0.240 62.551 63.100 -0.516 0.000 0.943 306 P CB -0.168 31.368 31.700 -0.274 0.000 1.936 307 N N 1.659 120.380 118.700 0.035 0.000 2.454 307 N HA 0.120 4.874 4.740 0.024 0.000 0.260 307 N C 0.116 175.872 175.510 0.410 0.000 1.218 307 N CA 0.488 53.645 53.050 0.178 0.000 0.904 307 N CB 0.786 39.376 38.487 0.172 0.000 1.065 307 N HN 0.332 nan 8.380 nan 0.000 0.462 308 L N 2.270 123.661 121.223 0.280 0.000 2.401 308 L HA 0.449 4.803 4.340 0.024 0.000 0.266 308 L C -0.909 176.105 176.870 0.240 0.000 0.991 308 L CA -0.839 54.207 54.840 0.344 0.000 0.818 308 L CB 1.338 43.550 42.059 0.256 0.000 1.321 308 L HN 0.386 nan 8.230 nan 0.000 0.413 309 Y N 0.566 121.019 120.300 0.255 0.000 2.602 309 Y HA 0.669 5.234 4.550 0.025 0.000 0.330 309 Y C -0.110 175.912 175.900 0.204 0.000 1.114 309 Y CA -0.852 57.401 58.100 0.256 0.000 1.182 309 Y CB 1.617 40.301 38.460 0.373 0.000 1.305 309 Y HN 0.391 nan 8.280 nan 0.000 0.502 310 R N 0.991 121.723 120.500 0.386 0.000 2.480 310 R HA 0.807 5.161 4.340 0.024 0.000 0.306 310 R C -1.706 174.784 176.300 0.316 0.000 0.958 310 R CA -0.575 55.683 56.100 0.262 0.000 0.861 310 R CB 1.136 31.517 30.300 0.135 0.000 1.171 310 R HN 0.733 nan 8.270 nan 0.000 0.445 311 A N 3.966 126.916 122.820 0.216 0.000 2.271 311 A HA 0.611 4.946 4.320 0.024 0.000 0.317 311 A C -1.077 176.572 177.584 0.108 0.000 1.245 311 A CA -0.655 51.492 52.037 0.183 0.000 0.857 311 A CB 1.258 20.335 19.000 0.127 0.000 1.175 311 A HN 0.485 nan 8.150 nan 0.000 0.512 312 V N 3.519 123.509 119.914 0.126 0.000 2.417 312 V HA 0.374 4.508 4.120 0.024 0.000 0.291 312 V C -0.318 175.760 176.094 -0.026 0.000 1.024 312 V CA -0.462 61.855 62.300 0.028 0.000 0.861 312 V CB 1.648 33.510 31.823 0.065 0.000 0.985 312 V HN 0.618 nan 8.190 nan 0.000 0.436 313 V N 5.008 124.838 119.914 -0.141 0.000 2.328 313 V HA 0.415 4.549 4.120 0.024 0.000 0.278 313 V C -0.036 176.009 176.094 -0.082 0.000 1.021 313 V CA -0.594 61.602 62.300 -0.173 0.000 0.838 313 V CB 1.137 32.703 31.823 -0.428 0.000 0.999 313 V HN 0.914 nan 8.190 nan 0.000 0.447 314 E N 3.981 124.181 120.200 0.000 0.000 2.151 314 E HA 0.506 4.870 4.350 0.024 0.000 0.275 314 E C -1.023 175.660 176.600 0.139 0.000 0.936 314 E CA -0.878 55.567 56.400 0.075 0.000 0.777 314 E CB 2.524 32.284 29.700 0.101 0.000 1.108 314 E HN 0.456 nan 8.360 nan 0.000 0.401 315 L N 4.592 125.882 121.223 0.112 0.000 2.272 315 L HA 0.392 4.746 4.340 0.024 0.000 0.289 315 L C -0.890 176.081 176.870 0.168 0.000 1.032 315 L CA 0.117 55.017 54.840 0.099 0.000 0.810 315 L CB 0.046 42.157 42.059 0.086 0.000 1.205 315 L HN 0.693 nan 8.230 nan 0.000 0.422 316 H N 0.204 119.310 119.070 0.059 0.000 2.928 316 H HA 0.788 5.358 4.556 0.024 0.000 0.285 316 H C -0.828 174.565 175.328 0.107 0.000 1.438 316 H CA -0.500 55.587 56.048 0.065 0.000 1.176 316 H CB 0.721 30.503 29.762 0.033 0.000 1.864 316 H HN 0.494 nan 8.280 nan 0.000 0.567 317 T N -2.100 112.581 114.554 0.212 0.000 2.934 317 T HA 0.548 4.913 4.350 0.024 0.000 0.283 317 T C 1.406 176.231 174.700 0.209 0.000 1.005 317 T CA -0.392 61.819 62.100 0.185 0.000 1.041 317 T CB 1.567 70.490 68.868 0.093 0.000 1.042 317 T HN 0.934 nan 8.240 nan 0.000 0.505 318 A N 1.452 124.363 122.820 0.153 0.000 1.978 318 A HA -0.111 4.223 4.320 0.024 0.000 0.220 318 A C 1.811 179.470 177.584 0.125 0.000 1.170 318 A CA 1.826 53.942 52.037 0.131 0.000 0.636 318 A CB -1.023 18.040 19.000 0.106 0.000 0.810 318 A HN 0.983 nan 8.150 nan 0.000 0.448 319 D N -2.037 118.414 120.400 0.084 0.000 2.324 319 D HA 0.287 4.941 4.640 0.024 0.000 0.235 319 D C 1.066 177.395 176.300 0.049 0.000 1.095 319 D CA 0.858 54.886 54.000 0.046 0.000 0.871 319 D CB -0.652 40.151 40.800 0.004 0.000 0.906 319 D HN 0.814 nan 8.370 nan 0.000 0.522 320 G N -0.662 108.197 108.800 0.099 0.000 2.175 320 G HA2 -0.241 3.733 3.960 0.024 0.000 0.244 320 G HA3 -0.241 3.733 3.960 0.024 0.000 0.244 320 G C 0.284 175.199 174.900 0.024 0.000 0.982 320 G CA 0.187 45.306 45.100 0.032 0.000 0.641 320 G HN 0.437 nan 8.290 nan 0.000 0.527 321 T N 1.665 116.259 114.554 0.067 0.000 2.761 321 T HA 0.496 4.860 4.350 0.024 0.000 0.296 321 T C 0.333 175.093 174.700 0.099 0.000 0.934 321 T CA -0.143 61.987 62.100 0.051 0.000 1.091 321 T CB 1.853 70.737 68.868 0.027 0.000 0.896 321 T HN 0.578 nan 8.240 nan 0.000 0.515 322 L N 5.257 126.519 121.223 0.065 0.000 2.380 322 L HA 0.267 4.621 4.340 0.024 0.000 0.273 322 L C 0.721 177.642 176.870 0.084 0.000 1.138 322 L CA 0.116 55.008 54.840 0.087 0.000 0.832 322 L CB 0.131 42.214 42.059 0.040 0.000 1.124 322 L HN 0.533 nan 8.230 nan 0.000 0.454 323 I N 2.311 122.941 120.570 0.101 0.000 2.681 323 I HA 0.203 4.387 4.170 0.024 0.000 0.247 323 I C 0.507 176.651 176.117 0.044 0.000 1.091 323 I CA 0.762 62.103 61.300 0.070 0.000 1.442 323 I CB -0.753 37.292 38.000 0.076 0.000 1.219 323 I HN 0.853 nan 8.210 nan 0.000 0.451 324 E N 0.276 120.504 120.200 0.046 0.000 2.409 324 E HA 0.688 5.052 4.350 0.024 0.000 0.280 324 E C -1.589 175.037 176.600 0.042 0.000 1.079 324 E CA -0.955 55.463 56.400 0.030 0.000 0.840 324 E CB 2.059 31.741 29.700 -0.030 0.000 1.309 324 E HN 0.021 nan 8.360 nan 0.000 0.447 325 A N 1.252 124.121 122.820 0.082 0.000 2.475 325 A HA 0.737 5.072 4.320 0.024 0.000 0.301 325 A C -1.103 176.598 177.584 0.196 0.000 1.059 325 A CA -0.719 51.375 52.037 0.094 0.000 0.710 325 A CB 1.798 20.851 19.000 0.089 0.000 1.288 325 A HN 0.521 nan 8.150 nan 0.000 0.408 326 E N -0.499 119.757 120.200 0.093 0.000 2.410 326 E HA 0.855 5.220 4.350 0.024 0.000 0.269 326 E C -0.494 176.162 176.600 0.094 0.000 0.937 326 E CA -0.434 56.080 56.400 0.191 0.000 0.793 326 E CB 2.405 32.094 29.700 -0.018 0.000 1.314 326 E HN 1.319 nan 8.360 nan 0.000 0.447 327 A N -0.230 122.754 122.820 0.273 0.000 2.540 327 A HA 0.743 5.077 4.320 0.024 0.000 0.291 327 A C -1.317 176.470 177.584 0.337 0.000 1.083 327 A CA -0.247 51.880 52.037 0.150 0.000 0.650 327 A CB 0.744 19.764 19.000 0.034 0.000 1.292 327 A HN 0.956 nan 8.150 nan 0.000 0.435 328 C N -0.664 118.783 119.300 0.244 0.000 3.307 328 C HA 0.757 5.231 4.460 0.024 0.000 0.333 328 C C -1.614 173.470 174.990 0.157 0.000 1.291 328 C CA -0.945 58.214 59.018 0.235 0.000 1.273 328 C CB 0.984 28.888 27.740 0.274 0.000 1.580 328 C HN 0.837 nan 8.230 nan 0.000 0.481 329 D N 1.258 121.733 120.400 0.126 0.000 2.304 329 D HA 0.521 5.175 4.640 0.024 0.000 0.250 329 D C -0.298 176.051 176.300 0.082 0.000 1.107 329 D CA 0.168 54.242 54.000 0.124 0.000 0.885 329 D CB 1.894 42.771 40.800 0.128 0.000 1.192 329 D HN 0.558 nan 8.370 nan 0.000 0.436 330 V N 1.155 121.141 119.914 0.121 0.000 2.495 330 V HA 0.618 4.752 4.120 0.024 0.000 0.298 330 V C 0.628 176.775 176.094 0.088 0.000 1.031 330 V CA -0.845 61.470 62.300 0.024 0.000 0.871 330 V CB 1.951 33.757 31.823 -0.027 0.000 0.988 330 V HN 0.617 nan 8.190 nan 0.000 0.432 331 G N 3.293 112.043 108.800 -0.083 0.000 2.468 331 G HA2 0.582 4.557 3.960 0.024 0.000 0.315 331 G HA3 0.582 4.557 3.960 0.024 0.000 0.315 331 G C -0.858 174.109 174.900 0.112 0.000 1.203 331 G CA -0.387 44.735 45.100 0.037 0.000 0.962 331 G HN 0.450 nan 8.290 nan 0.000 0.476 332 F N 4.197 124.323 119.950 0.293 0.000 2.490 332 F HA 0.358 4.899 4.527 0.023 0.000 0.357 332 F C 1.226 177.277 175.800 0.418 0.000 1.166 332 F CA -0.031 58.200 58.000 0.385 0.000 1.116 332 F CB 0.474 39.704 39.000 0.382 0.000 1.171 332 F HN 0.437 nan 8.300 nan 0.000 0.576 333 R N 2.905 123.704 120.500 0.498 0.000 2.680 333 R HA 0.445 4.799 4.340 0.024 0.000 0.269 333 R C -1.771 174.686 176.300 0.263 0.000 1.026 333 R CA -0.799 55.444 56.100 0.239 0.000 0.889 333 R CB 1.657 32.131 30.300 0.289 0.000 1.241 333 R HN 0.563 nan 8.270 nan 0.000 0.463 334 E N 2.169 122.435 120.200 0.110 0.000 2.187 334 E HA 0.464 4.829 4.350 0.024 0.000 0.268 334 E C -1.280 175.397 176.600 0.128 0.000 0.896 334 E CA -0.925 55.612 56.400 0.228 0.000 0.766 334 E CB 2.154 32.065 29.700 0.352 0.000 1.142 334 E HN 0.397 nan 8.360 nan 0.000 0.408 335 V N 5.559 125.541 119.914 0.113 0.000 2.409 335 V HA 0.568 4.702 4.120 0.024 0.000 0.291 335 V C -0.319 175.816 176.094 0.069 0.000 1.020 335 V CA -0.608 61.729 62.300 0.062 0.000 0.848 335 V CB 1.262 33.099 31.823 0.024 0.000 0.990 335 V HN 0.741 nan 8.190 nan 0.000 0.430 336 R N 4.305 124.841 120.500 0.061 0.000 2.663 336 R HA 0.708 5.062 4.340 0.024 0.000 0.267 336 R C -2.040 174.287 176.300 0.045 0.000 1.038 336 R CA -0.922 55.216 56.100 0.063 0.000 0.886 336 R CB 1.864 32.215 30.300 0.086 0.000 1.249 336 R HN 0.503 nan 8.270 nan 0.000 0.463 337 I N 1.612 122.209 120.570 0.044 0.000 2.339 337 I HA 0.329 4.514 4.170 0.024 0.000 0.290 337 I C -0.469 175.671 176.117 0.038 0.000 0.994 337 I CA -0.382 60.938 61.300 0.033 0.000 1.191 337 I CB 1.700 39.721 38.000 0.035 0.000 1.343 337 I HN 0.679 nan 8.210 nan 0.000 0.458 338 E N 6.560 126.779 120.200 0.031 0.000 2.263 338 E HA 0.208 4.572 4.350 0.024 0.000 0.268 338 E C -0.392 176.221 176.600 0.023 0.000 0.884 338 E CA -0.596 55.824 56.400 0.033 0.000 0.766 338 E CB 1.163 30.889 29.700 0.042 0.000 1.196 338 E HN 0.578 nan 8.360 nan 0.000 0.416 339 N N 3.201 121.915 118.700 0.022 0.000 2.735 339 N HA -0.225 4.529 4.740 0.024 0.000 0.248 339 N C 0.446 175.962 175.510 0.011 0.000 1.083 339 N CA 2.047 55.107 53.050 0.016 0.000 0.703 339 N CB -1.264 37.232 38.487 0.014 0.000 1.005 339 N HN 1.000 nan 8.380 nan 0.000 0.550 340 G N -2.036 106.771 108.800 0.012 0.000 2.159 340 G HA2 -0.280 3.694 3.960 0.024 0.000 0.256 340 G HA3 -0.280 3.694 3.960 0.024 0.000 0.256 340 G C -0.105 174.790 174.900 -0.007 0.000 0.977 340 G CA 0.541 45.644 45.100 0.004 0.000 0.652 340 G HN 0.482 nan 8.290 nan 0.000 0.531 341 L N -0.047 121.172 121.223 -0.007 0.000 2.365 341 L HA 0.675 5.029 4.340 0.024 0.000 0.273 341 L C 0.101 176.960 176.870 -0.018 0.000 1.000 341 L CA -1.333 53.495 54.840 -0.021 0.000 0.819 341 L CB 1.878 43.925 42.059 -0.020 0.000 1.284 341 L HN 0.094 nan 8.230 nan 0.000 0.418 342 L N 4.650 125.850 121.223 -0.038 0.000 2.313 342 L HA 0.432 4.786 4.340 0.024 0.000 0.282 342 L C -0.845 176.001 176.870 -0.040 0.000 1.092 342 L CA 0.465 55.283 54.840 -0.037 0.000 0.831 342 L CB 0.304 42.327 42.059 -0.061 0.000 1.159 342 L HN 0.392 nan 8.230 nan 0.000 0.442 343 L N 6.068 127.284 121.223 -0.012 0.000 2.346 343 L HA 0.563 4.918 4.340 0.024 0.000 0.274 343 L C -0.827 176.047 176.870 0.006 0.000 1.007 343 L CA -0.797 54.043 54.840 0.001 0.000 0.818 343 L CB 1.956 44.037 42.059 0.036 0.000 1.284 343 L HN 0.559 nan 8.230 nan 0.000 0.424 344 L N 3.564 124.797 121.223 0.017 0.000 2.349 344 L HA 0.495 4.850 4.340 0.024 0.000 0.278 344 L C -0.295 176.569 176.870 -0.010 0.000 0.996 344 L CA -0.134 54.718 54.840 0.021 0.000 0.825 344 L CB 0.974 43.051 42.059 0.030 0.000 1.243 344 L HN 0.623 nan 8.230 nan 0.000 0.412 345 N N 4.139 122.706 118.700 -0.222 0.000 2.727 345 N HA -0.217 4.537 4.740 0.024 0.000 0.249 345 N C 0.907 176.020 175.510 -0.661 0.000 1.048 345 N CA 1.342 53.901 53.050 -0.819 0.000 0.714 345 N CB -1.189 36.755 38.487 -0.906 0.000 0.959 345 N HN 1.165 nan 8.380 nan 0.000 0.544 346 G N -2.113 106.610 108.800 -0.127 0.000 2.212 346 G HA2 -0.357 3.617 3.960 0.024 0.000 0.266 346 G HA3 -0.357 3.617 3.960 0.024 0.000 0.266 346 G C -0.028 174.899 174.900 0.045 0.000 0.978 346 G CA 0.922 46.066 45.100 0.072 0.000 0.632 346 G HN 0.397 nan 8.290 nan 0.000 0.537 347 K N 1.016 121.439 120.400 0.038 0.000 2.207 347 K HA 0.505 4.839 4.320 0.024 0.000 0.255 347 K C -2.649 173.931 176.600 -0.033 0.000 0.941 347 K CA -2.325 53.953 56.287 -0.014 0.000 0.825 347 K CB 2.392 34.825 32.500 -0.111 0.000 1.119 347 K HN 0.107 nan 8.250 nan 0.000 0.430 348 P HA 0.135 nan 4.420 nan 0.000 0.276 348 P C -0.122 177.116 177.300 -0.103 0.000 1.264 348 P CA -0.135 62.922 63.100 -0.072 0.000 0.769 348 P CB 0.483 32.143 31.700 -0.068 0.000 0.840 349 L N 3.687 124.843 121.223 -0.111 0.000 2.464 349 L HA 0.242 4.596 4.340 0.024 0.000 0.264 349 L C 0.790 177.575 176.870 -0.143 0.000 1.199 349 L CA -0.478 54.282 54.840 -0.133 0.000 0.818 349 L CB 0.219 42.155 42.059 -0.206 0.000 1.102 349 L HN 0.296 nan 8.230 nan 0.000 0.473 350 L N 3.318 124.471 121.223 -0.117 0.000 2.427 350 L HA 0.438 4.793 4.340 0.024 0.000 0.264 350 L C -0.477 176.334 176.870 -0.098 0.000 0.989 350 L CA -0.027 54.727 54.840 -0.144 0.000 0.865 350 L CB 0.922 42.928 42.059 -0.088 0.000 1.209 350 L HN 0.304 nan 8.230 nan 0.000 0.430 351 I N 4.936 125.377 120.570 -0.214 0.000 2.494 351 I HA 0.165 4.349 4.170 0.024 0.000 0.289 351 I C 0.399 176.458 176.117 -0.096 0.000 1.106 351 I CA 0.236 61.416 61.300 -0.199 0.000 1.369 351 I CB 0.146 37.900 38.000 -0.410 0.000 1.410 351 I HN 0.506 nan 8.210 nan 0.000 0.523 352 R N 5.451 125.991 120.500 0.067 0.000 3.070 352 R HA 0.371 4.726 4.340 0.024 0.000 0.252 352 R C 0.353 176.758 176.300 0.174 0.000 1.370 352 R CA -0.341 55.845 56.100 0.142 0.000 1.482 352 R CB 0.825 31.041 30.300 -0.140 0.000 1.220 352 R HN 0.743 nan 8.270 nan 0.000 0.622 353 G N 0.038 108.890 108.800 0.087 0.000 2.552 353 G HA2 0.610 4.584 3.960 0.024 0.000 0.324 353 G HA3 0.610 4.584 3.960 0.024 0.000 0.324 353 G C -1.288 173.910 174.900 0.496 0.000 1.217 353 G CA -0.479 44.707 45.100 0.143 0.000 0.989 353 G HN 0.206 nan 8.290 nan 0.000 0.490 354 V N -0.271 119.928 119.914 0.474 0.000 3.012 354 V HA 0.483 4.617 4.120 0.024 0.000 0.307 354 V C -1.239 174.981 176.094 0.210 0.000 1.166 354 V CA -1.215 61.256 62.300 0.286 0.000 0.974 354 V CB 2.268 33.998 31.823 -0.156 0.000 1.040 354 V HN 0.757 nan 8.190 nan 0.000 0.428 355 N N 3.970 122.702 118.700 0.053 0.000 2.499 355 N HA 0.454 5.209 4.740 0.024 0.000 0.281 355 N C -0.777 174.509 175.510 -0.373 0.000 1.098 355 N CA -0.312 52.622 53.050 -0.192 0.000 0.979 355 N CB 1.539 39.853 38.487 -0.287 0.000 1.121 355 N HN 0.629 nan 8.380 nan 0.000 0.466 356 R N 2.065 122.319 120.500 -0.411 0.000 2.502 356 R HA 0.216 4.570 4.340 0.024 0.000 0.298 356 R C -1.066 174.974 176.300 -0.434 0.000 1.018 356 R CA -0.556 55.322 56.100 -0.371 0.000 0.899 356 R CB 0.777 30.853 30.300 -0.373 0.000 1.181 356 R HN 0.579 nan 8.270 nan 0.000 0.444 357 H N 2.219 121.125 119.070 -0.274 0.000 2.505 357 H HA 0.154 4.725 4.556 0.024 0.000 0.351 357 H C -0.485 174.830 175.328 -0.023 0.000 1.151 357 H CA -0.026 55.955 56.048 -0.111 0.000 1.339 357 H CB 1.529 31.283 29.762 -0.014 0.000 1.483 357 H HN 0.571 nan 8.280 nan 0.000 0.558 358 E N 2.165 122.534 120.200 0.282 0.000 1.996 358 E HA 0.116 4.481 4.350 0.024 0.000 0.280 358 E C -0.631 176.110 176.600 0.236 0.000 1.092 358 E CA -0.018 56.479 56.400 0.161 0.000 0.862 358 E CB 0.403 30.209 29.700 0.178 0.000 1.066 358 E HN 0.396 nan 8.360 nan 0.000 0.396 359 H N 1.670 120.792 119.070 0.085 0.000 2.865 359 H HA 0.276 4.846 4.556 0.024 0.000 0.362 359 H C -1.662 173.712 175.328 0.077 0.000 1.114 359 H CA -0.682 55.411 56.048 0.076 0.000 1.208 359 H CB 1.210 31.004 29.762 0.054 0.000 1.727 359 H HN 0.414 nan 8.280 nan 0.000 0.534 360 H N 6.169 124.815 119.070 -0.707 0.000 2.782 360 H HA 0.203 4.773 4.556 0.024 0.000 0.347 360 H C -2.308 172.613 175.328 -0.679 0.000 1.038 360 H CA -2.323 53.440 56.048 -0.475 0.000 1.255 360 H CB 2.751 32.380 29.762 -0.221 0.000 1.623 360 H HN 0.547 nan 8.280 nan 0.000 0.525 361 P HA -0.114 nan 4.420 nan 0.000 0.219 361 P C 1.160 178.369 177.300 -0.152 0.000 1.146 361 P CA 0.893 63.850 63.100 -0.239 0.000 0.808 361 P CB 0.906 32.498 31.700 -0.179 0.000 0.779 362 L N -1.736 119.496 121.223 0.015 0.000 2.269 362 L HA 0.091 4.445 4.340 0.024 0.000 0.200 362 L C 2.412 179.210 176.870 -0.121 0.000 1.069 362 L CA 0.737 55.522 54.840 -0.091 0.000 0.804 362 L CB -0.732 41.201 42.059 -0.209 0.000 0.987 362 L HN 0.001 nan 8.230 nan 0.000 0.468 363 H N -0.586 118.443 119.070 -0.068 0.000 2.539 363 H HA 0.220 4.790 4.556 0.024 0.000 0.269 363 H C 1.498 176.706 175.328 -0.200 0.000 0.980 363 H CA 0.130 56.043 56.048 -0.224 0.000 1.152 363 H CB 0.424 29.937 29.762 -0.415 0.000 1.407 363 H HN 0.424 nan 8.280 nan 0.000 0.564 364 G N 1.592 110.305 108.800 -0.145 0.000 2.595 364 G HA2 -0.397 3.578 3.960 0.024 0.000 0.297 364 G HA3 -0.397 3.578 3.960 0.024 0.000 0.297 364 G C 0.692 175.497 174.900 -0.159 0.000 1.181 364 G CA 0.444 45.403 45.100 -0.236 0.000 0.963 364 G HN 0.471 nan 8.290 nan 0.000 0.541 365 Q N -0.028 119.715 119.800 -0.096 0.000 2.198 365 Q HA 0.490 4.844 4.340 0.024 0.000 0.209 365 Q C 0.154 176.239 176.000 0.141 0.000 0.848 365 Q CA -0.146 55.650 55.803 -0.013 0.000 0.974 365 Q CB 1.528 30.165 28.738 -0.168 0.000 1.115 365 Q HN 0.347 nan 8.270 nan 0.000 0.494 366 V N 2.164 122.138 119.914 0.100 0.000 2.432 366 V HA 0.183 4.317 4.120 0.024 0.000 0.271 366 V C 0.141 176.292 176.094 0.094 0.000 1.046 366 V CA 0.095 62.462 62.300 0.113 0.000 0.945 366 V CB 0.945 32.767 31.823 -0.001 0.000 0.992 366 V HN 0.338 nan 8.190 nan 0.000 0.471 367 M N 5.458 125.131 119.600 0.123 0.000 2.423 367 M HA 0.487 4.981 4.480 0.024 0.000 0.335 367 M C -0.374 175.929 176.300 0.004 0.000 1.177 367 M CA -0.440 54.905 55.300 0.075 0.000 1.038 367 M CB 1.762 34.396 32.600 0.058 0.000 1.641 367 M HN 0.821 nan 8.290 nan 0.000 0.455 368 D N 0.493 120.893 120.400 0.001 0.000 2.527 368 D HA 0.212 4.866 4.640 0.024 0.000 0.233 368 D C 0.122 176.416 176.300 -0.011 0.000 1.063 368 D CA -0.441 53.549 54.000 -0.016 0.000 0.880 368 D CB 1.873 42.689 40.800 0.026 0.000 1.457 368 D HN 0.716 nan 8.370 nan 0.000 0.475 369 E N 0.516 120.708 120.200 -0.013 0.000 2.097 369 E HA -0.312 4.052 4.350 0.024 0.000 0.196 369 E C 1.813 178.454 176.600 0.068 0.000 1.000 369 E CA 1.528 57.944 56.400 0.026 0.000 0.804 369 E CB 0.146 29.874 29.700 0.046 0.000 0.740 369 E HN 0.594 nan 8.360 nan 0.000 0.454 370 Q N -0.371 119.474 119.800 0.075 0.000 2.096 370 Q HA -0.167 4.188 4.340 0.024 0.000 0.204 370 Q C 1.972 178.033 176.000 0.102 0.000 0.982 370 Q CA 2.310 58.166 55.803 0.089 0.000 0.850 370 Q CB -0.045 28.748 28.738 0.093 0.000 0.901 370 Q HN 0.246 nan 8.270 nan 0.000 0.422 371 T N 0.719 115.347 114.554 0.122 0.000 2.777 371 T HA -0.107 4.257 4.350 0.024 0.000 0.266 371 T C 1.777 176.558 174.700 0.135 0.000 1.040 371 T CA 1.461 63.644 62.100 0.139 0.000 1.141 371 T CB -0.124 68.856 68.868 0.188 0.000 0.868 371 T HN 0.314 nan 8.240 nan 0.000 0.444 372 M N 0.536 120.220 119.600 0.140 0.000 2.086 372 M HA -0.085 4.410 4.480 0.024 0.000 0.261 372 M C 2.470 178.874 176.300 0.173 0.000 1.067 372 M CA 1.318 56.765 55.300 0.245 0.000 1.116 372 M CB -0.603 32.171 32.600 0.290 0.000 1.348 372 M HN 0.090 nan 8.290 nan 0.000 0.407 373 V N 0.336 120.292 119.914 0.071 0.000 2.343 373 V HA -0.296 3.838 4.120 0.024 0.000 0.247 373 V C 2.341 178.401 176.094 -0.056 0.000 1.051 373 V CA 2.104 64.373 62.300 -0.051 0.000 1.036 373 V CB -0.867 30.963 31.823 0.011 0.000 0.654 373 V HN 0.566 nan 8.190 nan 0.000 0.451 374 Q N -0.218 119.605 119.800 0.039 0.000 2.096 374 Q HA -0.271 4.084 4.340 0.024 0.000 0.204 374 Q C 1.941 178.001 176.000 0.100 0.000 0.982 374 Q CA 2.216 58.061 55.803 0.070 0.000 0.850 374 Q CB -0.149 28.649 28.738 0.100 0.000 0.901 374 Q HN 0.617 nan 8.270 nan 0.000 0.422 375 D N 0.399 120.875 120.400 0.125 0.000 2.097 375 D HA -0.136 4.518 4.640 0.024 0.000 0.195 375 D C 1.961 178.183 176.300 -0.130 0.000 0.989 375 D CA 1.209 55.275 54.000 0.110 0.000 0.827 375 D CB -0.198 40.657 40.800 0.091 0.000 0.966 375 D HN 0.377 nan 8.370 nan 0.000 0.456 376 I N 0.694 121.185 120.570 -0.132 0.000 2.286 376 I HA -0.234 3.951 4.170 0.024 0.000 0.248 376 I C 2.402 178.369 176.117 -0.250 0.000 1.115 376 I CA 0.641 61.770 61.300 -0.285 0.000 1.392 376 I CB -0.171 37.550 38.000 -0.466 0.000 1.065 376 I HN -0.002 nan 8.210 nan 0.000 0.418 377 L N 0.142 121.257 121.223 -0.181 0.000 2.017 377 L HA -0.213 4.141 4.340 0.024 0.000 0.208 377 L C 2.545 179.471 176.870 0.093 0.000 1.073 377 L CA 1.355 56.176 54.840 -0.032 0.000 0.745 377 L CB -0.535 41.523 42.059 -0.000 0.000 0.894 377 L HN 0.262 nan 8.230 nan 0.000 0.432 378 L N -1.061 120.235 121.223 0.122 0.000 2.093 378 L HA -0.214 4.140 4.340 0.024 0.000 0.208 378 L C 2.654 179.667 176.870 0.238 0.000 1.085 378 L CA 1.202 56.200 54.840 0.263 0.000 0.755 378 L CB -0.320 42.011 42.059 0.452 0.000 0.904 378 L HN 0.296 nan 8.230 nan 0.000 0.435 379 M N -0.483 119.067 119.600 -0.084 0.000 2.067 379 M HA -0.224 4.270 4.480 0.024 0.000 0.260 379 M C 2.315 178.689 176.300 0.123 0.000 1.069 379 M CA 1.883 57.062 55.300 -0.202 0.000 1.117 379 M CB -0.336 31.919 32.600 -0.574 0.000 1.334 379 M HN 0.065 nan 8.290 nan 0.000 0.407 380 K N 0.002 120.382 120.400 -0.033 0.000 2.097 380 K HA -0.182 4.152 4.320 0.024 0.000 0.206 380 K C 1.962 178.544 176.600 -0.029 0.000 1.049 380 K CA 1.316 57.491 56.287 -0.187 0.000 0.933 380 K CB -0.238 31.974 32.500 -0.480 0.000 0.717 380 K HN 0.439 nan 8.250 nan 0.000 0.442 381 Q N 0.355 120.311 119.800 0.261 0.000 2.291 381 Q HA -0.045 4.309 4.340 0.024 0.000 0.206 381 Q C 0.664 176.971 176.000 0.512 0.000 0.976 381 Q CA 0.747 56.843 55.803 0.489 0.000 0.875 381 Q CB 0.155 29.154 28.738 0.435 0.000 0.927 381 Q HN 0.255 nan 8.270 nan 0.000 0.450 382 N N 0.682 119.629 118.700 0.412 0.000 2.389 382 N HA 0.064 4.818 4.740 0.024 0.000 0.260 382 N C -0.751 174.875 175.510 0.193 0.000 1.191 382 N CA 0.006 53.290 53.050 0.389 0.000 0.885 382 N CB 0.701 39.495 38.487 0.512 0.000 1.162 382 N HN 0.152 nan 8.380 nan 0.000 0.512 383 N N 0.250 119.065 118.700 0.191 0.000 2.714 383 N HA -0.199 4.555 4.740 0.024 0.000 0.250 383 N C -0.895 174.556 175.510 -0.098 0.000 1.117 383 N CA 0.895 54.011 53.050 0.110 0.000 0.719 383 N CB -1.706 36.755 38.487 -0.044 0.000 1.081 383 N HN 0.277 nan 8.380 nan 0.000 0.557 384 F N 0.979 120.947 119.950 0.031 0.000 2.385 384 F HA 0.309 4.850 4.527 0.023 0.000 0.336 384 F C 1.703 177.497 175.800 -0.010 0.000 1.100 384 F CA -0.694 57.309 58.000 0.004 0.000 1.116 384 F CB 0.917 39.892 39.000 -0.041 0.000 1.166 384 F HN 0.036 nan 8.300 nan 0.000 0.511 385 N N 0.798 119.617 118.700 0.198 0.000 2.160 385 N HA 0.449 5.203 4.740 0.024 0.000 0.226 385 N C -0.903 174.674 175.510 0.111 0.000 1.256 385 N CA -0.054 53.045 53.050 0.082 0.000 0.890 385 N CB 0.795 39.386 38.487 0.172 0.000 1.116 385 N HN 0.474 nan 8.380 nan 0.000 0.517 386 A N -0.529 122.423 122.820 0.219 0.000 2.589 386 A HA 0.738 5.073 4.320 0.024 0.000 0.296 386 A C -1.787 176.026 177.584 0.383 0.000 1.062 386 A CA -0.692 51.541 52.037 0.327 0.000 0.686 386 A CB 1.782 21.010 19.000 0.380 0.000 1.282 386 A HN 0.237 nan 8.150 nan 0.000 0.404 387 V N 1.482 121.655 119.914 0.431 0.000 2.888 387 V HA 0.810 4.944 4.120 0.024 0.000 0.309 387 V C -0.639 175.575 176.094 0.200 0.000 1.114 387 V CA -0.729 61.771 62.300 0.333 0.000 0.940 387 V CB 1.919 33.870 31.823 0.214 0.000 1.021 387 V HN 1.110 nan 8.190 nan 0.000 0.426 388 R N 4.664 125.140 120.500 -0.039 0.000 2.393 388 R HA 0.499 4.853 4.340 0.024 0.000 0.310 388 R C -0.832 175.321 176.300 -0.245 0.000 0.968 388 R CA -0.500 55.415 56.100 -0.308 0.000 0.867 388 R CB 1.225 31.140 30.300 -0.643 0.000 1.124 388 R HN 0.811 nan 8.270 nan 0.000 0.450 389 C N 4.242 123.426 119.300 -0.193 0.000 2.756 389 C HA 0.125 4.599 4.460 0.024 0.000 0.504 389 C C 0.599 175.317 174.990 -0.453 0.000 1.028 389 C CA -0.444 58.410 59.018 -0.273 0.000 1.167 389 C CB -1.938 25.759 27.740 -0.072 0.000 1.444 389 C HN 0.694 nan 8.230 nan 0.000 0.577 390 S N 1.632 116.933 115.700 -0.666 0.000 2.430 390 S HA 0.219 4.703 4.470 0.024 0.000 0.282 390 S C -0.184 173.539 174.600 -1.462 0.000 1.186 390 S CA 0.105 57.666 58.200 -1.065 0.000 1.060 390 S CB 0.055 62.564 63.200 -1.151 0.000 0.966 390 S HN 0.731 nan 8.310 nan 0.000 0.501 391 H N 3.974 122.440 119.070 -1.007 0.000 2.439 391 H HA 0.314 4.884 4.556 0.024 0.000 0.228 391 H C -1.194 174.017 175.328 -0.195 0.000 1.423 391 H CA -0.344 55.497 56.048 -0.345 0.000 1.386 391 H CB -0.042 29.714 29.762 -0.010 0.000 1.641 391 H HN 0.890 nan 8.280 nan 0.000 0.508 392 Y N -2.685 117.720 120.300 0.175 0.000 2.765 392 Y HA 0.390 4.955 4.550 0.024 0.000 0.350 392 Y C -3.409 172.598 175.900 0.178 0.000 1.196 392 Y CA -3.052 55.158 58.100 0.183 0.000 1.119 392 Y CB 0.009 38.584 38.460 0.191 0.000 1.368 392 Y HN -0.068 nan 8.280 nan 0.000 0.463 393 P HA 0.200 nan 4.420 nan 0.000 0.271 393 P C -0.614 176.979 177.300 0.487 0.000 1.216 393 P CA 0.174 63.533 63.100 0.432 0.000 0.771 393 P CB 0.563 32.445 31.700 0.305 0.000 0.864 394 N N 0.614 119.606 118.700 0.486 0.000 2.405 394 N HA 0.078 4.833 4.740 0.024 0.000 0.269 394 N C 0.179 175.931 175.510 0.402 0.000 1.249 394 N CA -0.619 52.630 53.050 0.332 0.000 0.974 394 N CB 0.251 38.721 38.487 -0.028 0.000 1.204 394 N HN 0.595 nan 8.380 nan 0.000 0.565 395 H N 2.303 121.485 119.070 0.187 0.000 3.064 395 H HA -0.009 4.561 4.556 0.024 0.000 0.329 395 H C -1.579 173.928 175.328 0.298 0.000 1.020 395 H CA -0.925 55.222 56.048 0.165 0.000 1.402 395 H CB 0.947 30.776 29.762 0.111 0.000 1.379 395 H HN 0.451 nan 8.280 nan 0.000 0.594 396 P HA -0.215 nan 4.420 nan 0.000 0.217 396 P C 1.783 179.403 177.300 0.534 0.000 1.148 396 P CA 0.751 64.124 63.100 0.454 0.000 0.828 396 P CB 0.280 32.096 31.700 0.195 0.000 0.783 397 L N -0.815 120.778 121.223 0.617 0.000 2.131 397 L HA -0.051 4.303 4.340 0.024 0.000 0.210 397 L C 2.471 179.488 176.870 0.245 0.000 1.092 397 L CA 1.397 56.447 54.840 0.351 0.000 0.759 397 L CB -1.524 40.658 42.059 0.204 0.000 0.903 397 L HN 0.018 nan 8.230 nan 0.000 0.435 398 W N -0.372 120.955 121.300 0.045 0.000 2.321 398 W HA -0.347 4.327 4.660 0.023 0.000 0.306 398 W C 2.048 178.426 176.519 -0.236 0.000 1.217 398 W CA 2.077 59.325 57.345 -0.162 0.000 1.257 398 W CB -0.392 28.876 29.460 -0.320 0.000 1.145 398 W HN 0.289 nan 8.180 nan 0.000 0.509 399 Y N 0.563 120.769 120.300 -0.156 0.000 2.314 399 Y HA -0.168 4.396 4.550 0.023 0.000 0.293 399 Y C 2.835 178.481 175.900 -0.424 0.000 1.129 399 Y CA 1.985 59.792 58.100 -0.490 0.000 1.201 399 Y CB -1.250 36.643 38.460 -0.945 0.000 0.999 399 Y HN -0.226 nan 8.280 nan 0.000 0.541 400 T N 0.624 115.163 114.554 -0.026 0.000 2.746 400 T HA -0.146 4.218 4.350 0.024 0.000 0.267 400 T C 2.000 176.727 174.700 0.046 0.000 1.039 400 T CA 1.326 63.502 62.100 0.126 0.000 1.142 400 T CB -0.520 68.472 68.868 0.207 0.000 0.866 400 T HN 0.237 nan 8.240 nan 0.000 0.444 401 L N 0.290 121.492 121.223 -0.034 0.000 2.093 401 L HA -0.089 4.265 4.340 0.024 0.000 0.208 401 L C 2.823 179.653 176.870 -0.067 0.000 1.085 401 L CA 0.854 55.691 54.840 -0.006 0.000 0.755 401 L CB -0.612 41.393 42.059 -0.090 0.000 0.904 401 L HN 0.376 nan 8.230 nan 0.000 0.435 402 C N -0.349 118.758 119.300 -0.322 0.000 2.440 402 C HA -0.122 4.353 4.460 0.024 0.000 0.278 402 C C 2.411 177.439 174.990 0.063 0.000 1.295 402 C CA 0.298 59.162 59.018 -0.256 0.000 1.738 402 C CB -0.725 26.749 27.740 -0.443 0.000 1.987 402 C HN 0.538 nan 8.230 nan 0.000 0.492 403 D N 0.662 121.111 120.400 0.082 0.000 2.097 403 D HA -0.104 4.550 4.640 0.024 0.000 0.195 403 D C 2.377 178.896 176.300 0.365 0.000 0.989 403 D CA 1.246 55.376 54.000 0.217 0.000 0.827 403 D CB -0.360 40.519 40.800 0.132 0.000 0.966 403 D HN 0.537 nan 8.370 nan 0.000 0.456 404 R N -0.751 119.849 120.500 0.168 0.000 2.075 404 R HA -0.041 4.313 4.340 0.024 0.000 0.226 404 R C 2.273 178.540 176.300 -0.055 0.000 1.114 404 R CA 0.693 56.823 56.100 0.051 0.000 0.972 404 R CB -0.298 29.961 30.300 -0.069 0.000 0.869 404 R HN 0.260 nan 8.270 nan 0.000 0.437 405 Y N 0.117 120.422 120.300 0.009 0.000 2.457 405 Y HA 0.141 4.706 4.550 0.023 0.000 0.292 405 Y C 1.057 176.883 175.900 -0.124 0.000 1.125 405 Y CA 1.012 59.088 58.100 -0.040 0.000 1.254 405 Y CB 0.369 38.779 38.460 -0.083 0.000 1.012 405 Y HN 0.288 nan 8.280 nan 0.000 0.555 406 G N 1.066 109.888 108.800 0.037 0.000 2.894 406 G HA2 -0.157 3.817 3.960 0.024 0.000 0.263 406 G HA3 -0.157 3.817 3.960 0.024 0.000 0.263 406 G C -1.087 173.649 174.900 -0.274 0.000 1.013 406 G CA -0.434 44.556 45.100 -0.183 0.000 1.226 406 G HN 0.174 nan 8.290 nan 0.000 0.563 407 L N 1.195 122.336 121.223 -0.136 0.000 2.455 407 L HA 0.469 4.823 4.340 0.024 0.000 0.264 407 L C -0.346 176.528 176.870 0.008 0.000 0.968 407 L CA -1.371 53.360 54.840 -0.182 0.000 0.827 407 L CB 1.839 43.813 42.059 -0.141 0.000 1.317 407 L HN 0.340 nan 8.230 nan 0.000 0.407 408 Y N 2.117 122.545 120.300 0.213 0.000 2.377 408 Y HA 0.331 4.897 4.550 0.026 0.000 0.330 408 Y C 0.306 176.335 175.900 0.214 0.000 1.108 408 Y CA -0.436 57.821 58.100 0.262 0.000 1.308 408 Y CB 0.910 39.506 38.460 0.226 0.000 1.216 408 Y HN 0.111 nan 8.280 nan 0.000 0.518 409 V N 4.267 124.368 119.914 0.312 0.000 2.555 409 V HA 0.392 4.526 4.120 0.024 0.000 0.302 409 V C -0.591 175.582 176.094 0.131 0.000 1.038 409 V CA -1.063 61.359 62.300 0.205 0.000 0.887 409 V CB 1.995 33.907 31.823 0.148 0.000 0.991 409 V HN 0.456 nan 8.190 nan 0.000 0.434 410 V N 3.419 123.380 119.914 0.078 0.000 2.311 410 V HA 0.304 4.438 4.120 0.024 0.000 0.275 410 V C -0.261 175.870 176.094 0.062 0.000 1.022 410 V CA -0.405 61.894 62.300 -0.002 0.000 0.830 410 V CB 1.366 33.077 31.823 -0.186 0.000 1.012 410 V HN 0.880 nan 8.190 nan 0.000 0.452 411 D N 4.234 124.716 120.400 0.136 0.000 2.295 411 D HA 0.243 4.897 4.640 0.024 0.000 0.248 411 D C -0.131 176.363 176.300 0.324 0.000 1.154 411 D CA 0.071 54.253 54.000 0.303 0.000 0.857 411 D CB 1.086 42.128 40.800 0.403 0.000 1.117 411 D HN 0.651 nan 8.370 nan 0.000 0.468 412 E N 1.851 122.201 120.200 0.250 0.000 2.187 412 E HA 0.601 4.965 4.350 0.024 0.000 0.268 412 E C -0.903 175.836 176.600 0.232 0.000 0.896 412 E CA -1.075 55.458 56.400 0.222 0.000 0.766 412 E CB 1.334 31.119 29.700 0.142 0.000 1.142 412 E HN 0.500 nan 8.360 nan 0.000 0.408 413 A N 3.782 126.730 122.820 0.212 0.000 2.483 413 A HA 0.036 4.371 4.320 0.024 0.000 0.238 413 A C 0.317 178.026 177.584 0.208 0.000 1.070 413 A CA -0.215 51.927 52.037 0.174 0.000 0.770 413 A CB 0.146 19.212 19.000 0.110 0.000 1.008 413 A HN 0.684 nan 8.150 nan 0.000 0.497 414 N N 0.903 119.736 118.700 0.220 0.000 2.971 414 N HA 0.304 5.058 4.740 0.024 0.000 0.294 414 N C -1.340 174.300 175.510 0.217 0.000 1.210 414 N CA 0.132 53.346 53.050 0.274 0.000 1.157 414 N CB -0.863 37.788 38.487 0.274 0.000 1.450 414 N HN 0.406 nan 8.380 nan 0.000 0.527 415 I N 0.907 121.600 120.570 0.205 0.000 2.529 415 I HA 0.323 4.508 4.170 0.024 0.000 0.284 415 I C -0.532 175.686 176.117 0.170 0.000 1.088 415 I CA -0.391 61.012 61.300 0.172 0.000 1.062 415 I CB 1.866 39.941 38.000 0.125 0.000 1.218 415 I HN 0.223 nan 8.210 nan 0.000 0.442 416 E N 3.519 123.816 120.200 0.161 0.000 2.307 416 E HA 0.449 4.813 4.350 0.024 0.000 0.280 416 E C -0.792 175.881 176.600 0.122 0.000 0.900 416 E CA -0.308 56.160 56.400 0.113 0.000 0.790 416 E CB 1.522 31.264 29.700 0.071 0.000 1.261 416 E HN 0.596 nan 8.360 nan 0.000 0.405 417 T N 0.540 115.157 114.554 0.106 0.000 3.374 417 T HA 0.171 4.536 4.350 0.024 0.000 0.267 417 T C 0.879 175.632 174.700 0.088 0.000 0.996 417 T CA -0.359 61.830 62.100 0.147 0.000 0.977 417 T CB -0.238 68.696 68.868 0.110 0.000 1.149 417 T HN 0.624 nan 8.240 nan 0.000 0.517 418 H N 1.144 120.137 119.070 -0.128 0.000 2.353 418 H HA -0.066 4.505 4.556 0.025 0.000 0.298 418 H C 2.324 177.520 175.328 -0.219 0.000 1.103 418 H CA 1.314 57.254 56.048 -0.181 0.000 1.293 418 H CB -0.171 29.455 29.762 -0.227 0.000 1.372 418 H HN 0.596 nan 8.280 nan 0.000 0.501 419 G N 0.242 108.862 108.800 -0.300 0.000 2.679 419 G HA2 -0.069 3.905 3.960 0.024 0.000 0.212 419 G HA3 -0.069 3.905 3.960 0.024 0.000 0.212 419 G C 0.526 175.505 174.900 0.133 0.000 1.137 419 G CA -0.101 44.837 45.100 -0.270 0.000 0.787 419 G HN 0.146 nan 8.290 nan 0.000 0.534 420 M N 0.364 120.099 119.600 0.226 0.000 2.226 420 M HA 0.308 4.802 4.480 0.024 0.000 0.324 420 M C -0.379 175.957 176.300 0.059 0.000 1.112 420 M CA -0.242 55.155 55.300 0.162 0.000 1.176 420 M CB 1.346 33.998 32.600 0.087 0.000 1.430 420 M HN -0.197 nan 8.290 nan 0.000 0.462 421 V N 4.013 123.941 119.914 0.024 0.000 2.419 421 V HA 0.341 4.475 4.120 0.024 0.000 0.287 421 V C -1.925 174.161 176.094 -0.012 0.000 1.017 421 V CA -1.255 61.045 62.300 0.000 0.000 0.844 421 V CB 1.651 33.469 31.823 -0.007 0.000 1.011 421 V HN 0.738 nan 8.190 nan 0.000 0.429 422 P HA 0.243 nan 4.420 nan 0.000 0.277 422 P C 0.990 178.294 177.300 0.007 0.000 1.276 422 P CA -0.523 62.575 63.100 -0.005 0.000 0.788 422 P CB 1.180 32.878 31.700 -0.003 0.000 1.114 423 M N 0.469 120.080 119.600 0.017 0.000 2.358 423 M HA -0.150 4.344 4.480 0.024 0.000 0.264 423 M C 1.228 177.556 176.300 0.046 0.000 1.064 423 M CA 1.647 56.969 55.300 0.035 0.000 1.093 423 M CB -0.441 32.173 32.600 0.024 0.000 1.401 423 M HN 0.370 nan 8.290 nan 0.000 0.440 424 N N -0.287 118.439 118.700 0.043 0.000 2.235 424 N HA -0.054 4.701 4.740 0.024 0.000 0.209 424 N C 1.145 176.646 175.510 -0.014 0.000 1.122 424 N CA 0.054 53.135 53.050 0.052 0.000 0.845 424 N CB -0.631 37.907 38.487 0.085 0.000 1.004 424 N HN 0.341 nan 8.380 nan 0.000 0.499 425 R N 0.478 120.952 120.500 -0.044 0.000 2.103 425 R HA -0.014 4.341 4.340 0.024 0.000 0.242 425 R C 1.465 177.672 176.300 -0.155 0.000 1.142 425 R CA 1.378 57.427 56.100 -0.085 0.000 0.960 425 R CB -0.018 30.225 30.300 -0.094 0.000 0.858 425 R HN 0.271 nan 8.270 nan 0.000 0.439 426 L N -0.741 120.332 121.223 -0.250 0.000 2.168 426 L HA -0.017 4.337 4.340 0.024 0.000 0.203 426 L C 2.479 179.225 176.870 -0.205 0.000 1.078 426 L CA 1.320 55.895 54.840 -0.442 0.000 0.780 426 L CB -0.552 41.013 42.059 -0.825 0.000 0.939 426 L HN 0.336 nan 8.230 nan 0.000 0.451 427 T N -4.182 110.287 114.554 -0.142 0.000 3.051 427 T HA -0.176 4.189 4.350 0.024 0.000 0.269 427 T C 1.205 175.847 174.700 -0.096 0.000 1.127 427 T CA 1.356 63.369 62.100 -0.146 0.000 1.107 427 T CB -0.240 68.517 68.868 -0.184 0.000 0.898 427 T HN 0.168 nan 8.240 nan 0.000 0.517 428 D N 0.695 121.066 120.400 -0.049 0.000 2.369 428 D HA 0.094 4.748 4.640 0.024 0.000 0.211 428 D C -0.224 176.069 176.300 -0.011 0.000 1.077 428 D CA -0.257 53.724 54.000 -0.032 0.000 0.842 428 D CB 0.026 40.809 40.800 -0.028 0.000 0.947 428 D HN 0.265 nan 8.370 nan 0.000 0.509 429 D N 0.264 120.672 120.400 0.013 0.000 2.359 429 D HA 0.103 4.757 4.640 0.024 0.000 0.230 429 D C -1.530 174.830 176.300 0.100 0.000 1.118 429 D CA -2.221 51.821 54.000 0.070 0.000 0.844 429 D CB 1.851 42.730 40.800 0.132 0.000 1.059 429 D HN 0.018 nan 8.370 nan 0.000 0.493 430 P HA -0.188 nan 4.420 nan 0.000 0.220 430 P C 1.289 178.598 177.300 0.014 0.000 1.144 430 P CA 0.614 63.728 63.100 0.024 0.000 0.800 430 P CB 0.326 32.028 31.700 0.004 0.000 0.772 431 R N -0.927 119.591 120.500 0.030 0.000 2.189 431 R HA -0.109 4.246 4.340 0.024 0.000 0.223 431 R C 1.198 177.367 176.300 -0.218 0.000 1.092 431 R CA 1.156 57.204 56.100 -0.087 0.000 0.989 431 R CB -0.405 29.847 30.300 -0.080 0.000 0.876 431 R HN 0.198 nan 8.270 nan 0.000 0.457 432 W N -0.346 120.905 121.300 -0.082 0.000 3.220 432 W HA 0.140 4.814 4.660 0.023 0.000 0.328 432 W C 1.275 177.742 176.519 -0.087 0.000 1.205 432 W CA -0.649 56.648 57.345 -0.080 0.000 1.773 432 W CB 0.167 29.578 29.460 -0.082 0.000 1.086 432 W HN 0.077 nan 8.180 nan 0.000 0.622 433 L N 2.212 123.469 121.223 0.057 0.000 2.046 433 L HA -0.017 4.338 4.340 0.024 0.000 0.208 433 L C -0.713 176.126 176.870 -0.051 0.000 1.077 433 L CA 2.242 57.076 54.840 -0.009 0.000 0.747 433 L CB -1.635 40.408 42.059 -0.026 0.000 0.896 433 L HN -0.230 nan 8.230 nan 0.000 0.432 434 P HA -0.132 nan 4.420 nan 0.000 0.215 434 P C 1.636 178.884 177.300 -0.087 0.000 1.157 434 P CA 2.092 65.133 63.100 -0.098 0.000 0.863 434 P CB -0.198 31.435 31.700 -0.112 0.000 0.787 435 A N -0.997 121.785 122.820 -0.064 0.000 1.908 435 A HA -0.217 4.117 4.320 0.024 0.000 0.218 435 A C 2.221 179.818 177.584 0.022 0.000 1.181 435 A CA 2.051 54.083 52.037 -0.009 0.000 0.627 435 A CB -1.506 17.520 19.000 0.042 0.000 0.818 435 A HN 0.104 nan 8.150 nan 0.000 0.445 436 M N 0.220 119.841 119.600 0.036 0.000 2.132 436 M HA -0.149 4.345 4.480 0.024 0.000 0.263 436 M C 2.564 178.811 176.300 -0.088 0.000 1.065 436 M CA 1.781 57.078 55.300 -0.005 0.000 1.122 436 M CB -0.400 32.180 32.600 -0.033 0.000 1.365 436 M HN 0.665 nan 8.290 nan 0.000 0.411 437 S N 0.296 115.914 115.700 -0.137 0.000 2.370 437 S HA -0.196 4.288 4.470 0.024 0.000 0.226 437 S C 1.650 176.076 174.600 -0.291 0.000 1.033 437 S CA 1.546 59.594 58.200 -0.252 0.000 1.011 437 S CB -0.622 62.410 63.200 -0.280 0.000 0.852 437 S HN 0.520 nan 8.310 nan 0.000 0.457 438 E N 0.984 121.065 120.200 -0.199 0.000 2.153 438 E HA -0.069 4.296 4.350 0.024 0.000 0.194 438 E C 2.432 178.944 176.600 -0.147 0.000 0.988 438 E CA 0.871 57.162 56.400 -0.181 0.000 0.811 438 E CB -0.113 29.517 29.700 -0.118 0.000 0.746 438 E HN 0.578 nan 8.360 nan 0.000 0.466 439 R N -0.008 120.437 120.500 -0.092 0.000 2.148 439 R HA -0.057 4.297 4.340 0.024 0.000 0.223 439 R C 2.180 178.438 176.300 -0.070 0.000 1.088 439 R CA 0.573 56.650 56.100 -0.039 0.000 0.985 439 R CB 0.118 30.433 30.300 0.027 0.000 0.880 439 R HN 0.027 nan 8.270 nan 0.000 0.451 440 V N 0.040 119.865 119.914 -0.148 0.000 2.374 440 V HA -0.164 3.970 4.120 0.024 0.000 0.241 440 V C 2.484 178.392 176.094 -0.309 0.000 1.034 440 V CA 2.081 64.269 62.300 -0.187 0.000 1.037 440 V CB -0.219 31.487 31.823 -0.195 0.000 0.682 440 V HN 0.483 nan 8.190 nan 0.000 0.463 441 T N -0.712 113.532 114.554 -0.517 0.000 2.788 441 T HA -0.233 4.131 4.350 0.024 0.000 0.268 441 T C 1.913 176.439 174.700 -0.291 0.000 1.044 441 T CA 1.410 63.107 62.100 -0.672 0.000 1.139 441 T CB -0.390 67.886 68.868 -0.986 0.000 0.867 441 T HN 0.402 nan 8.240 nan 0.000 0.454 442 R N 0.132 120.493 120.500 -0.233 0.000 2.148 442 R HA 0.242 4.597 4.340 0.024 0.000 0.223 442 R C 2.617 178.832 176.300 -0.142 0.000 1.088 442 R CA 1.211 57.212 56.100 -0.165 0.000 0.985 442 R CB -0.417 29.797 30.300 -0.144 0.000 0.880 442 R HN 0.493 nan 8.270 nan 0.000 0.451 443 M N 0.595 120.117 119.600 -0.130 0.000 2.099 443 M HA -0.130 4.365 4.480 0.024 0.000 0.262 443 M C 1.869 178.084 176.300 -0.141 0.000 1.067 443 M CA 1.628 56.881 55.300 -0.078 0.000 1.124 443 M CB 0.078 32.672 32.600 -0.009 0.000 1.353 443 M HN -0.041 nan 8.290 nan 0.000 0.410 444 V N 1.252 120.975 119.914 -0.318 0.000 2.287 444 V HA -0.310 3.825 4.120 0.024 0.000 0.248 444 V C 2.289 178.266 176.094 -0.194 0.000 1.053 444 V CA 2.164 64.167 62.300 -0.495 0.000 1.027 444 V CB -1.012 30.505 31.823 -0.510 0.000 0.646 444 V HN 0.601 nan 8.190 nan 0.000 0.447 445 Q N -0.712 119.007 119.800 -0.135 0.000 2.226 445 Q HA -0.229 4.125 4.340 0.024 0.000 0.204 445 Q C 2.445 178.347 176.000 -0.163 0.000 0.975 445 Q CA 1.552 57.281 55.803 -0.124 0.000 0.866 445 Q CB -0.195 28.495 28.738 -0.080 0.000 0.915 445 Q HN 0.546 nan 8.270 nan 0.000 0.440 446 R N 0.365 120.768 120.500 -0.162 0.000 2.090 446 R HA -0.077 4.277 4.340 0.024 0.000 0.219 446 R C 0.450 176.667 176.300 -0.138 0.000 1.100 446 R CA 1.261 57.247 56.100 -0.191 0.000 0.991 446 R CB 0.463 30.652 30.300 -0.184 0.000 0.893 446 R HN 0.169 nan 8.270 nan 0.000 0.443 447 D N 0.038 120.413 120.400 -0.042 0.000 2.398 447 D HA -0.001 4.653 4.640 0.024 0.000 0.210 447 D C 1.228 177.623 176.300 0.158 0.000 1.094 447 D CA 0.045 54.063 54.000 0.031 0.000 0.839 447 D CB 0.262 40.996 40.800 -0.110 0.000 0.963 447 D HN 0.375 nan 8.370 nan 0.000 0.506 448 R N 0.718 121.321 120.500 0.171 0.000 2.293 448 R HA -0.003 4.351 4.340 0.024 0.000 0.219 448 R C 0.742 177.040 176.300 -0.004 0.000 1.091 448 R CA 0.877 57.097 56.100 0.200 0.000 1.004 448 R CB -0.285 30.055 30.300 0.067 0.000 0.865 448 R HN -0.083 nan 8.270 nan 0.000 0.469 449 N N 0.148 118.776 118.700 -0.121 0.000 2.280 449 N HA 0.002 4.756 4.740 0.024 0.000 0.192 449 N C -0.485 174.901 175.510 -0.207 0.000 1.109 449 N CA 0.222 53.170 53.050 -0.169 0.000 0.855 449 N CB 0.125 38.486 38.487 -0.210 0.000 0.974 449 N HN 0.277 nan 8.380 nan 0.000 0.482 450 H N 1.658 120.664 119.070 -0.106 0.000 2.742 450 H HA 0.091 4.661 4.556 0.023 0.000 0.302 450 H C -1.170 174.012 175.328 -0.244 0.000 1.069 450 H CA -1.154 54.815 56.048 -0.131 0.000 1.446 450 H CB 1.479 31.200 29.762 -0.068 0.000 1.462 450 H HN 0.088 nan 8.280 nan 0.000 0.499 451 P HA -0.150 nan 4.420 nan 0.000 0.221 451 P C 1.421 178.247 177.300 -0.791 0.000 1.150 451 P CA 1.064 63.808 63.100 -0.593 0.000 0.800 451 P CB 0.332 31.492 31.700 -0.901 0.000 0.787 452 S N -0.476 114.862 115.700 -0.604 0.000 2.399 452 S HA -0.054 4.430 4.470 0.024 0.000 0.231 452 S C 1.154 175.734 174.600 -0.033 0.000 1.022 452 S CA 0.474 58.517 58.200 -0.261 0.000 0.983 452 S CB -1.574 61.618 63.200 -0.013 0.000 0.803 452 S HN -0.046 nan 8.310 nan 0.000 0.480 453 V N 4.389 124.254 119.914 -0.081 0.000 2.415 453 V HA 0.160 4.294 4.120 0.024 0.000 0.267 453 V C 1.268 177.225 176.094 -0.228 0.000 1.042 453 V CA -0.142 62.079 62.300 -0.133 0.000 1.000 453 V CB 0.491 32.160 31.823 -0.257 0.000 1.015 453 V HN 0.615 nan 8.190 nan 0.000 0.478 454 I N 3.354 123.844 120.570 -0.134 0.000 4.181 454 I HA 0.461 4.645 4.170 0.024 0.000 0.331 454 I C 0.365 176.367 176.117 -0.191 0.000 1.312 454 I CA 0.766 61.992 61.300 -0.123 0.000 1.146 454 I CB 0.166 38.182 38.000 0.027 0.000 1.074 454 I HN 0.338 nan 8.210 nan 0.000 0.402 455 I N 0.227 120.660 120.570 -0.230 0.000 2.656 455 I HA 0.356 4.540 4.170 0.024 0.000 0.292 455 I C -1.503 174.508 176.117 -0.178 0.000 1.144 455 I CA -0.430 60.774 61.300 -0.160 0.000 1.038 455 I CB 2.308 40.308 38.000 -0.001 0.000 1.244 455 I HN -0.060 nan 8.210 nan 0.000 0.420 456 W N 3.715 125.065 121.300 0.083 0.000 2.496 456 W HA 0.614 5.286 4.660 0.020 0.000 0.327 456 W C 0.383 176.965 176.519 0.106 0.000 1.086 456 W CA -0.648 56.752 57.345 0.091 0.000 1.222 456 W CB 1.732 31.242 29.460 0.084 0.000 1.304 456 W HN 0.303 nan 8.180 nan 0.000 0.547 457 S N 2.569 118.507 115.700 0.396 0.000 2.521 457 S HA 0.400 4.884 4.470 0.024 0.000 0.295 457 S C 0.249 175.008 174.600 0.265 0.000 1.098 457 S CA -0.696 57.676 58.200 0.286 0.000 0.999 457 S CB 0.800 64.124 63.200 0.207 0.000 1.034 457 S HN 0.572 nan 8.310 nan 0.000 0.483 458 L N 4.100 125.468 121.223 0.241 0.000 2.610 458 L HA 0.338 4.692 4.340 0.024 0.000 0.232 458 L C 1.393 178.328 176.870 0.108 0.000 1.149 458 L CA 0.499 55.407 54.840 0.114 0.000 0.872 458 L CB -1.108 40.922 42.059 -0.049 0.000 0.992 458 L HN 0.980 nan 8.230 nan 0.000 0.447 459 G N -0.757 108.186 108.800 0.238 0.000 2.297 459 G HA2 -0.054 3.921 3.960 0.024 0.000 0.209 459 G HA3 -0.054 3.921 3.960 0.024 0.000 0.209 459 G C -0.718 174.374 174.900 0.320 0.000 1.267 459 G CA -0.198 45.050 45.100 0.246 0.000 1.127 459 G HN -0.012 nan 8.290 nan 0.000 0.498 460 T N -0.512 114.172 114.554 0.218 0.000 2.853 460 T HA 0.534 4.898 4.350 0.024 0.000 0.311 460 T C -0.552 174.112 174.700 -0.059 0.000 1.307 460 T CA 0.683 62.785 62.100 0.004 0.000 1.019 460 T CB 1.292 69.919 68.868 -0.401 0.000 1.264 460 T HN 1.385 nan 8.240 nan 0.000 0.497 461 E N 1.255 121.321 120.200 -0.224 0.000 2.106 461 E HA -0.143 4.221 4.350 0.024 0.000 0.175 461 E C -0.345 176.184 176.600 -0.119 0.000 1.448 461 E CA 0.713 56.913 56.400 -0.334 0.000 0.672 461 E CB -1.156 28.099 29.700 -0.741 0.000 1.057 461 E HN 0.406 nan 8.360 nan 0.000 0.321 462 S N -0.033 115.732 115.700 0.108 0.000 2.952 462 S HA 0.401 4.885 4.470 0.024 0.000 0.251 462 S C 0.631 175.397 174.600 0.276 0.000 1.021 462 S CA -0.215 58.110 58.200 0.209 0.000 1.067 462 S CB 1.368 64.761 63.200 0.322 0.000 1.002 462 S HN 0.845 nan 8.310 nan 0.000 0.574 463 G N 2.015 110.911 108.800 0.159 0.000 2.601 463 G HA2 -0.274 3.701 3.960 0.024 0.000 0.261 463 G HA3 -0.274 3.701 3.960 0.024 0.000 0.261 463 G C -0.494 174.605 174.900 0.331 0.000 1.289 463 G CA -0.093 45.105 45.100 0.163 0.000 0.920 463 G HN 0.661 nan 8.290 nan 0.000 0.571 464 H N 0.364 119.546 119.070 0.187 0.000 2.860 464 H HA 0.563 5.132 4.556 0.023 0.000 0.312 464 H C 0.466 175.953 175.328 0.265 0.000 0.995 464 H CA -0.229 55.966 56.048 0.245 0.000 1.311 464 H CB 0.385 30.230 29.762 0.140 0.000 1.478 464 H HN 0.949 nan 8.280 nan 0.000 0.508 465 G N 1.581 110.636 108.800 0.426 0.000 2.489 465 G HA2 0.435 4.409 3.960 0.024 0.000 0.327 465 G HA3 0.435 4.409 3.960 0.024 0.000 0.327 465 G C 0.681 175.576 174.900 -0.009 0.000 1.189 465 G CA -0.155 44.981 45.100 0.059 0.000 0.962 465 G HN 0.695 nan 8.290 nan 0.000 0.486 466 A N 0.493 123.274 122.820 -0.066 0.000 2.024 466 A HA -0.107 4.228 4.320 0.024 0.000 0.220 466 A C 2.160 179.753 177.584 0.014 0.000 1.164 466 A CA 1.844 53.866 52.037 -0.026 0.000 0.643 466 A CB -0.422 18.565 19.000 -0.022 0.000 0.806 466 A HN 0.542 nan 8.150 nan 0.000 0.451 467 N N -0.276 118.398 118.700 -0.044 0.000 2.166 467 N HA -0.147 4.608 4.740 0.024 0.000 0.186 467 N C 1.400 176.870 175.510 -0.066 0.000 1.019 467 N CA 1.729 54.730 53.050 -0.082 0.000 0.856 467 N CB -0.661 37.731 38.487 -0.157 0.000 0.993 467 N HN 0.786 nan 8.380 nan 0.000 0.426 468 H N 0.342 119.430 119.070 0.031 0.000 2.353 468 H HA -0.026 4.544 4.556 0.023 0.000 0.300 468 H C 1.287 176.695 175.328 0.134 0.000 1.090 468 H CA 1.307 57.370 56.048 0.024 0.000 1.327 468 H CB 0.137 29.914 29.762 0.024 0.000 1.383 468 H HN 0.204 nan 8.280 nan 0.000 0.508 469 D N 0.372 120.952 120.400 0.301 0.000 2.117 469 D HA -0.135 4.519 4.640 0.024 0.000 0.197 469 D C 2.306 178.764 176.300 0.263 0.000 0.987 469 D CA 1.179 55.344 54.000 0.276 0.000 0.829 469 D CB -0.361 40.569 40.800 0.216 0.000 0.961 469 D HN 0.433 nan 8.370 nan 0.000 0.460 470 A N 0.964 123.890 122.820 0.176 0.000 1.877 470 A HA -0.119 4.216 4.320 0.024 0.000 0.216 470 A C 2.424 180.116 177.584 0.180 0.000 1.186 470 A CA 0.953 53.079 52.037 0.149 0.000 0.620 470 A CB -0.794 18.254 19.000 0.080 0.000 0.822 470 A HN 0.194 nan 8.150 nan 0.000 0.443 471 L N -1.963 119.348 121.223 0.147 0.000 2.156 471 L HA -0.138 4.216 4.340 0.024 0.000 0.208 471 L C 2.564 179.572 176.870 0.229 0.000 1.095 471 L CA 1.428 56.355 54.840 0.145 0.000 0.770 471 L CB -0.656 41.422 42.059 0.032 0.000 0.914 471 L HN 0.632 nan 8.230 nan 0.000 0.439 472 Y N 1.297 121.679 120.300 0.136 0.000 2.145 472 Y HA -0.307 4.253 4.550 0.017 0.000 0.286 472 Y C 2.802 178.783 175.900 0.134 0.000 1.145 472 Y CA 1.694 59.875 58.100 0.136 0.000 1.148 472 Y CB -0.165 38.374 38.460 0.132 0.000 0.981 472 Y HN -0.042 nan 8.280 nan 0.000 0.507 473 R N -0.053 120.521 120.500 0.124 0.000 2.092 473 R HA -0.198 4.156 4.340 0.024 0.000 0.231 473 R C 2.020 178.310 176.300 -0.017 0.000 1.119 473 R CA 1.888 57.989 56.100 0.003 0.000 0.970 473 R CB -1.547 28.846 30.300 0.154 0.000 0.864 473 R HN 0.654 nan 8.270 nan 0.000 0.440 474 W N 0.171 121.423 121.300 -0.079 0.000 2.338 474 W HA -0.173 4.503 4.660 0.025 0.000 0.304 474 W C 1.495 177.924 176.519 -0.150 0.000 1.212 474 W CA 1.601 58.889 57.345 -0.094 0.000 1.264 474 W CB -0.251 29.159 29.460 -0.084 0.000 1.142 474 W HN 0.104 nan 8.180 nan 0.000 0.512 475 I N 1.190 121.758 120.570 -0.002 0.000 2.202 475 I HA -0.301 3.884 4.170 0.024 0.000 0.242 475 I C 2.409 178.351 176.117 -0.293 0.000 1.091 475 I CA 1.563 62.731 61.300 -0.219 0.000 1.368 475 I CB -1.009 36.916 38.000 -0.126 0.000 1.058 475 I HN -0.172 nan 8.210 nan 0.000 0.410 476 K N -0.009 120.214 120.400 -0.295 0.000 2.103 476 K HA -0.160 4.174 4.320 0.024 0.000 0.207 476 K C 2.375 178.844 176.600 -0.218 0.000 1.048 476 K CA 1.674 57.805 56.287 -0.261 0.000 0.930 476 K CB -0.810 31.477 32.500 -0.354 0.000 0.716 476 K HN 0.368 nan 8.250 nan 0.000 0.444 477 S N 0.364 115.900 115.700 -0.274 0.000 2.377 477 S HA -0.055 4.430 4.470 0.024 0.000 0.223 477 S C 2.042 176.432 174.600 -0.349 0.000 1.030 477 S CA 0.846 58.885 58.200 -0.269 0.000 0.970 477 S CB 0.016 63.056 63.200 -0.267 0.000 0.830 477 S HN 0.032 nan 8.310 nan 0.000 0.473 478 V N 1.047 120.616 119.914 -0.575 0.000 2.488 478 V HA 0.113 4.247 4.120 0.024 0.000 0.246 478 V C 0.593 176.469 176.094 -0.365 0.000 1.046 478 V CA 1.484 63.418 62.300 -0.610 0.000 1.053 478 V CB -0.341 30.775 31.823 -1.180 0.000 0.679 478 V HN 0.556 nan 8.190 nan 0.000 0.458 479 D N -1.097 119.140 120.400 -0.272 0.000 2.363 479 D HA 0.285 4.939 4.640 0.024 0.000 0.258 479 D C -2.218 174.083 176.300 0.003 0.000 1.259 479 D CA -1.716 52.238 54.000 -0.076 0.000 0.921 479 D CB 1.752 42.599 40.800 0.078 0.000 1.201 479 D HN 0.072 nan 8.370 nan 0.000 0.524 480 P HA -0.043 nan 4.420 nan 0.000 0.229 480 P C 1.194 178.515 177.300 0.036 0.000 1.160 480 P CA 0.525 63.623 63.100 -0.003 0.000 0.777 480 P CB 0.210 31.899 31.700 -0.018 0.000 0.814 481 S N -1.305 114.423 115.700 0.048 0.000 2.555 481 S HA 0.020 4.505 4.470 0.024 0.000 0.230 481 S C 0.817 175.441 174.600 0.040 0.000 0.978 481 S CA 0.126 58.357 58.200 0.052 0.000 0.934 481 S CB -0.511 62.715 63.200 0.043 0.000 0.766 481 S HN 0.074 nan 8.310 nan 0.000 0.533 482 R N 1.131 121.666 120.500 0.059 0.000 2.575 482 R HA 0.527 4.882 4.340 0.024 0.000 0.293 482 R C -3.237 173.110 176.300 0.078 0.000 0.983 482 R CA -2.222 53.877 56.100 -0.003 0.000 0.887 482 R CB 1.547 31.709 30.300 -0.230 0.000 1.184 482 R HN 0.146 nan 8.270 nan 0.000 0.445 483 P HA 0.096 nan 4.420 nan 0.000 0.272 483 P C -0.817 176.587 177.300 0.174 0.000 1.230 483 P CA -0.396 62.767 63.100 0.104 0.000 0.788 483 P CB 0.711 32.456 31.700 0.075 0.000 0.949 484 V N 2.208 122.260 119.914 0.230 0.000 2.495 484 V HA 0.414 4.549 4.120 0.024 0.000 0.298 484 V C 0.112 176.388 176.094 0.304 0.000 1.031 484 V CA -0.317 62.169 62.300 0.310 0.000 0.871 484 V CB 1.262 33.267 31.823 0.303 0.000 0.988 484 V HN 0.606 nan 8.190 nan 0.000 0.432 485 Q N 3.741 123.696 119.800 0.258 0.000 2.458 485 Q HA 0.819 5.173 4.340 0.024 0.000 0.282 485 Q C -1.863 174.284 176.000 0.244 0.000 1.106 485 Q CA -0.951 54.966 55.803 0.189 0.000 0.814 485 Q CB 3.043 31.841 28.738 0.101 0.000 1.425 485 Q HN 0.621 nan 8.270 nan 0.000 0.437 486 Y N 0.028 120.321 120.300 -0.012 0.000 2.357 486 Y HA 0.138 4.702 4.550 0.022 0.000 0.319 486 Y C -0.582 175.241 175.900 -0.129 0.000 1.225 486 Y CA -0.778 57.280 58.100 -0.070 0.000 1.095 486 Y CB 1.984 40.380 38.460 -0.108 0.000 1.302 486 Y HN 0.952 nan 8.280 nan 0.000 0.429 487 E N 3.363 123.077 120.200 -0.810 0.000 2.318 487 E HA 0.131 4.495 4.350 0.024 0.000 0.193 487 E C 0.698 176.839 176.600 -0.765 0.000 0.998 487 E CA 0.744 56.766 56.400 -0.629 0.000 0.859 487 E CB 0.238 29.707 29.700 -0.385 0.000 0.812 487 E HN 0.897 nan 8.360 nan 0.000 0.492 488 G N 0.004 107.941 108.800 -1.438 0.000 2.464 488 G HA2 0.184 4.158 3.960 0.024 0.000 0.231 488 G HA3 0.184 4.158 3.960 0.024 0.000 0.231 488 G C 0.826 175.552 174.900 -0.290 0.000 1.267 488 G CA 0.360 45.018 45.100 -0.736 0.000 0.863 488 G HN 0.360 nan 8.290 nan 0.000 0.559 489 G N -0.205 108.546 108.800 -0.081 0.000 2.160 489 G HA2 0.229 4.204 3.960 0.024 0.000 0.251 489 G HA3 0.229 4.204 3.960 0.024 0.000 0.251 489 G C 1.258 176.178 174.900 0.033 0.000 1.008 489 G CA 0.988 46.113 45.100 0.042 0.000 0.724 489 G HN 2.639 nan 8.290 nan 0.000 0.514 490 G N -1.652 107.156 108.800 0.013 0.000 2.205 490 G HA2 0.441 4.415 3.960 0.024 0.000 0.180 490 G HA3 0.441 4.415 3.960 0.024 0.000 0.180 490 G C 1.079 176.109 174.900 0.217 0.000 1.004 490 G CA 1.267 46.442 45.100 0.125 0.000 0.670 490 G HN 2.317 nan 8.290 nan 0.000 0.496 491 A N -0.163 122.661 122.820 0.007 0.000 3.721 491 A HA -0.157 4.178 4.320 0.024 0.000 0.270 491 A C 1.142 178.660 177.584 -0.110 0.000 1.036 491 A CA 2.731 54.709 52.037 -0.100 0.000 1.102 491 A CB -1.748 17.174 19.000 -0.130 0.000 1.100 491 A HN 2.087 nan 8.150 nan 0.000 0.887 492 D N -0.998 119.425 120.400 0.039 0.000 2.692 492 D HA 0.313 4.967 4.640 0.024 0.000 0.290 492 D C 0.446 176.753 176.300 0.013 0.000 1.455 492 D CA 0.807 54.832 54.000 0.041 0.000 0.796 492 D CB -1.172 39.781 40.800 0.256 0.000 1.131 492 D HN 0.804 nan 8.370 nan 0.000 0.467 493 T N -2.335 112.165 114.554 -0.090 0.000 2.652 493 T HA 0.165 4.530 4.350 0.024 0.000 0.319 493 T C 1.592 176.187 174.700 -0.175 0.000 1.029 493 T CA 0.502 62.505 62.100 -0.161 0.000 0.990 493 T CB 0.675 69.221 68.868 -0.538 0.000 1.098 493 T HN 0.102 nan 8.240 nan 0.000 0.520 494 T N -2.685 111.782 114.554 -0.145 0.000 3.160 494 T HA 0.255 4.619 4.350 0.024 0.000 0.257 494 T C 1.510 175.958 174.700 -0.421 0.000 1.147 494 T CA 0.214 62.217 62.100 -0.161 0.000 1.064 494 T CB -0.450 68.411 68.868 -0.012 0.000 0.949 494 T HN 0.825 nan 8.240 nan 0.000 0.526 495 A N 0.465 123.026 122.820 -0.432 0.000 2.460 495 A HA 0.512 4.847 4.320 0.024 0.000 0.258 495 A C 0.819 178.178 177.584 -0.375 0.000 1.300 495 A CA -0.286 51.440 52.037 -0.517 0.000 0.913 495 A CB 0.073 18.992 19.000 -0.136 0.000 1.031 495 A HN 0.425 nan 8.150 nan 0.000 0.512 496 T N -1.307 113.055 114.554 -0.321 0.000 2.952 496 T HA 0.349 4.713 4.350 0.024 0.000 0.305 496 T C -0.645 174.054 174.700 -0.003 0.000 1.064 496 T CA -0.465 61.604 62.100 -0.050 0.000 1.008 496 T CB 1.189 70.031 68.868 -0.044 0.000 1.078 496 T HN 0.102 nan 8.240 nan 0.000 0.459 497 D N 2.993 123.477 120.400 0.139 0.000 2.347 497 D HA 0.238 4.892 4.640 0.024 0.000 0.213 497 D C 0.403 176.730 176.300 0.045 0.000 0.985 497 D CA 0.733 54.808 54.000 0.125 0.000 0.879 497 D CB 0.466 41.374 40.800 0.180 0.000 0.919 497 D HN 0.544 nan 8.370 nan 0.000 0.526 498 I N 0.871 121.447 120.570 0.012 0.000 2.582 498 I HA 0.251 4.436 4.170 0.024 0.000 0.292 498 I C -0.187 175.861 176.117 -0.114 0.000 1.066 498 I CA -0.894 60.380 61.300 -0.043 0.000 1.053 498 I CB 2.906 40.891 38.000 -0.024 0.000 1.241 498 I HN -0.357 nan 8.210 nan 0.000 0.421 499 I N 5.527 125.984 120.570 -0.188 0.000 2.421 499 I HA 0.049 4.233 4.170 0.024 0.000 0.291 499 I C 0.172 176.081 176.117 -0.346 0.000 1.089 499 I CA -0.018 61.073 61.300 -0.347 0.000 1.354 499 I CB 0.102 37.791 38.000 -0.518 0.000 1.413 499 I HN 0.677 nan 8.210 nan 0.000 0.513 500 C N 5.980 125.095 119.300 -0.309 0.000 3.094 500 C HA 0.466 4.940 4.460 0.024 0.000 0.262 500 C C -1.965 172.886 174.990 -0.232 0.000 1.459 500 C CA -2.360 56.525 59.018 -0.222 0.000 1.570 500 C CB -0.967 26.698 27.740 -0.124 0.000 2.056 500 C HN 0.437 nan 8.230 nan 0.000 0.499 501 P HA 0.231 nan 4.420 nan 0.000 0.272 501 P C -0.597 176.660 177.300 -0.073 0.000 1.240 501 P CA 0.432 63.431 63.100 -0.169 0.000 0.791 501 P CB 0.849 32.437 31.700 -0.187 0.000 0.978 502 M N 1.630 121.222 119.600 -0.012 0.000 2.125 502 M HA 0.244 4.738 4.480 0.024 0.000 0.321 502 M C -0.506 175.815 176.300 0.037 0.000 0.983 502 M CA -0.452 54.757 55.300 -0.152 0.000 0.934 502 M CB 0.768 33.324 32.600 -0.074 0.000 1.542 502 M HN 0.330 nan 8.290 nan 0.000 0.424 503 Y N -0.455 120.029 120.300 0.306 0.000 4.177 503 Y HA -0.229 4.336 4.550 0.025 0.000 0.227 503 Y C 0.582 176.671 175.900 0.314 0.000 1.154 503 Y CA 0.363 58.650 58.100 0.313 0.000 1.887 503 Y CB -2.477 36.146 38.460 0.272 0.000 1.594 503 Y HN 0.795 nan 8.280 nan 0.000 0.668 504 A N 0.855 123.904 122.820 0.382 0.000 2.425 504 A HA 0.608 4.942 4.320 0.024 0.000 0.249 504 A C 0.786 178.595 177.584 0.375 0.000 1.084 504 A CA -0.494 51.771 52.037 0.379 0.000 0.781 504 A CB 0.435 19.701 19.000 0.443 0.000 1.019 504 A HN 0.409 nan 8.150 nan 0.000 0.490 505 R N 1.338 121.988 120.500 0.250 0.000 2.546 505 R HA 0.351 4.705 4.340 0.024 0.000 0.266 505 R C 1.056 177.332 176.300 -0.039 0.000 1.086 505 R CA -0.736 55.437 56.100 0.123 0.000 1.160 505 R CB 0.586 30.926 30.300 0.066 0.000 1.138 505 R HN 0.482 nan 8.270 nan 0.000 0.567 506 V N 0.682 120.408 119.914 -0.314 0.000 2.244 506 V HA -0.218 3.916 4.120 0.024 0.000 0.244 506 V C 1.024 177.008 176.094 -0.183 0.000 1.042 506 V CA 1.902 63.988 62.300 -0.357 0.000 1.006 506 V CB -0.267 31.226 31.823 -0.550 0.000 0.641 506 V HN 0.755 nan 8.190 nan 0.000 0.446 507 D N -1.353 118.968 120.400 -0.132 0.000 2.454 507 D HA 0.093 4.747 4.640 0.024 0.000 0.219 507 D C 0.936 177.221 176.300 -0.024 0.000 1.081 507 D CA 0.059 54.017 54.000 -0.070 0.000 0.867 507 D CB 0.666 41.429 40.800 -0.062 0.000 1.054 507 D HN 0.523 nan 8.370 nan 0.000 0.500 508 E N 1.850 122.039 120.200 -0.018 0.000 2.227 508 E HA 0.108 4.472 4.350 0.024 0.000 0.282 508 E C -0.764 175.839 176.600 0.006 0.000 1.015 508 E CA -0.584 55.814 56.400 -0.003 0.000 0.823 508 E CB 1.030 30.728 29.700 -0.003 0.000 1.081 508 E HN -0.197 nan 8.360 nan 0.000 0.396 509 D N 3.567 123.970 120.400 0.004 0.000 2.283 509 D HA 0.142 4.796 4.640 0.024 0.000 0.248 509 D C -0.568 175.625 176.300 -0.178 0.000 1.072 509 D CA 0.056 54.048 54.000 -0.013 0.000 0.929 509 D CB 1.312 42.178 40.800 0.109 0.000 1.182 509 D HN 0.443 nan 8.370 nan 0.000 0.433 510 Q N 1.185 120.760 119.800 -0.376 0.000 2.932 510 Q HA 0.223 4.577 4.340 0.024 0.000 0.248 510 Q C -2.245 173.143 176.000 -1.019 0.000 0.982 510 Q CA -1.464 53.913 55.803 -0.711 0.000 0.730 510 Q CB 2.243 30.570 28.738 -0.685 0.000 1.249 510 Q HN 0.173 nan 8.270 nan 0.000 0.476 511 P HA -0.043 nan 4.420 nan 0.000 0.235 511 P C -0.730 176.267 177.300 -0.506 0.000 1.720 511 P CA 0.039 62.723 63.100 -0.694 0.000 1.003 511 P CB -0.515 30.985 31.700 -0.333 0.000 1.968 512 F N 3.278 123.047 119.950 -0.302 0.000 2.506 512 F HA 0.187 4.728 4.527 0.023 0.000 0.351 512 F C -1.022 174.672 175.800 -0.175 0.000 1.136 512 F CA -2.472 55.416 58.000 -0.187 0.000 1.298 512 F CB -0.749 38.162 39.000 -0.148 0.000 1.145 512 F HN 0.146 nan 8.300 nan 0.000 0.593 513 P HA 0.175 nan 4.420 nan 0.000 0.271 513 P C 0.232 177.548 177.300 0.027 0.000 1.216 513 P CA 0.945 64.062 63.100 0.028 0.000 0.776 513 P CB 1.417 33.134 31.700 0.028 0.000 0.881 514 A N 2.900 125.730 122.820 0.017 0.000 1.693 514 A HA -0.257 4.077 4.320 0.024 0.000 0.227 514 A C 0.800 178.398 177.584 0.023 0.000 0.457 514 A CA 1.988 54.041 52.037 0.026 0.000 1.106 514 A CB -2.780 16.234 19.000 0.024 0.000 1.453 514 A HN 0.731 nan 8.150 nan 0.000 0.714 515 V N -2.549 117.373 119.914 0.013 0.000 2.454 515 V HA 0.587 4.721 4.120 0.024 0.000 0.255 515 V C -2.128 173.958 176.094 -0.014 0.000 1.009 515 V CA -1.194 61.113 62.300 0.012 0.000 1.149 515 V CB 0.605 32.440 31.823 0.020 0.000 1.418 515 V HN 0.609 nan 8.190 nan 0.000 0.567 516 P HA 0.285 nan 4.420 nan 0.000 0.272 516 P C -0.700 176.182 177.300 -0.697 0.000 1.223 516 P CA -0.022 62.724 63.100 -0.590 0.000 0.784 516 P CB 1.169 32.118 31.700 -1.251 0.000 0.923 517 K N 2.411 122.474 120.400 -0.560 0.000 2.419 517 K HA 0.218 4.552 4.320 0.024 0.000 0.244 517 K C -0.444 175.902 176.600 -0.423 0.000 1.045 517 K CA -0.280 55.856 56.287 -0.252 0.000 1.004 517 K CB 0.421 33.023 32.500 0.170 0.000 1.376 517 K HN 0.471 nan 8.250 nan 0.000 0.460 518 W N 1.433 122.443 121.300 -0.483 0.000 2.161 518 W HA 0.057 4.732 4.660 0.024 0.000 0.344 518 W C 1.287 177.819 176.519 0.022 0.000 1.262 518 W CA -0.585 56.560 57.345 -0.334 0.000 1.270 518 W CB 0.498 29.581 29.460 -0.628 0.000 1.126 518 W HN 0.390 nan 8.180 nan 0.000 0.598 519 S N 3.230 119.089 115.700 0.265 0.000 2.552 519 S HA -0.061 4.423 4.470 0.024 0.000 0.289 519 S C 1.135 175.888 174.600 0.254 0.000 1.304 519 S CA -0.218 58.084 58.200 0.170 0.000 1.063 519 S CB 0.185 63.426 63.200 0.069 0.000 0.848 519 S HN 0.535 nan 8.310 nan 0.000 0.499 520 I N 1.550 122.241 120.570 0.202 0.000 2.335 520 I HA -0.166 4.019 4.170 0.024 0.000 0.251 520 I C 2.041 178.196 176.117 0.063 0.000 1.129 520 I CA 1.315 62.734 61.300 0.199 0.000 1.402 520 I CB -0.461 37.594 38.000 0.092 0.000 1.069 520 I HN 0.603 nan 8.210 nan 0.000 0.424 521 K N 1.493 121.829 120.400 -0.108 0.000 2.097 521 K HA -0.148 4.187 4.320 0.024 0.000 0.205 521 K C 2.289 178.883 176.600 -0.009 0.000 1.050 521 K CA 1.598 57.729 56.287 -0.261 0.000 0.938 521 K CB -0.175 32.065 32.500 -0.434 0.000 0.718 521 K HN 0.384 nan 8.250 nan 0.000 0.442 522 K N 0.016 120.441 120.400 0.040 0.000 2.167 522 K HA -0.148 4.186 4.320 0.024 0.000 0.203 522 K C 1.823 178.457 176.600 0.056 0.000 1.052 522 K CA 0.699 56.999 56.287 0.021 0.000 0.956 522 K CB -0.024 32.458 32.500 -0.030 0.000 0.735 522 K HN 0.203 nan 8.250 nan 0.000 0.451 523 W N 2.046 123.341 121.300 -0.008 0.000 2.338 523 W HA -0.167 4.506 4.660 0.021 0.000 0.304 523 W C 1.572 178.084 176.519 -0.012 0.000 1.212 523 W CA 1.080 58.436 57.345 0.018 0.000 1.264 523 W CB -0.545 28.992 29.460 0.129 0.000 1.142 523 W HN 0.084 nan 8.180 nan 0.000 0.512 524 L N 0.733 122.116 121.223 0.267 0.000 2.079 524 L HA -0.238 4.116 4.340 0.024 0.000 0.210 524 L C 2.141 179.081 176.870 0.117 0.000 1.081 524 L CA 1.986 56.916 54.840 0.151 0.000 0.752 524 L CB -0.958 41.177 42.059 0.126 0.000 0.896 524 L HN -0.035 nan 8.230 nan 0.000 0.433 525 S N -1.387 114.367 115.700 0.091 0.000 2.582 525 S HA 0.278 4.763 4.470 0.024 0.000 0.234 525 S C 0.476 175.070 174.600 -0.009 0.000 0.961 525 S CA -0.548 57.677 58.200 0.041 0.000 0.953 525 S CB -0.423 62.799 63.200 0.037 0.000 0.800 525 S HN 0.136 nan 8.310 nan 0.000 0.471 526 L N 3.134 124.345 121.223 -0.021 0.000 2.514 526 L HA 0.210 4.565 4.340 0.024 0.000 0.280 526 L C -1.847 174.995 176.870 -0.047 0.000 1.223 526 L CA -1.599 53.179 54.840 -0.104 0.000 0.864 526 L CB -0.100 41.871 42.059 -0.147 0.000 1.118 526 L HN 0.112 nan 8.230 nan 0.000 0.494 527 P HA -0.099 nan 4.420 nan 0.000 0.259 527 P C 0.776 178.071 177.300 -0.007 0.000 1.163 527 P CA 1.085 64.165 63.100 -0.034 0.000 0.760 527 P CB 0.523 32.196 31.700 -0.045 0.000 0.762 528 G N 1.921 110.723 108.800 0.004 0.000 2.234 528 G HA2 -0.275 3.700 3.960 0.024 0.000 0.260 528 G HA3 -0.275 3.700 3.960 0.024 0.000 0.260 528 G C 0.193 175.112 174.900 0.031 0.000 0.987 528 G CA 0.398 45.509 45.100 0.018 0.000 0.625 528 G HN 0.692 nan 8.290 nan 0.000 0.532 529 E N 0.964 121.188 120.200 0.041 0.000 2.338 529 E HA 0.603 4.967 4.350 0.024 0.000 0.272 529 E C 1.333 177.961 176.600 0.046 0.000 1.029 529 E CA 0.699 57.135 56.400 0.061 0.000 0.872 529 E CB 0.842 30.605 29.700 0.105 0.000 1.015 529 E HN 0.581 nan 8.360 nan 0.000 0.417 530 T N 0.437 115.015 114.554 0.039 0.000 3.131 530 T HA 0.309 4.673 4.350 0.024 0.000 0.283 530 T C 0.481 175.192 174.700 0.018 0.000 0.906 530 T CA -0.466 61.650 62.100 0.028 0.000 0.882 530 T CB 0.038 68.921 68.868 0.025 0.000 1.208 530 T HN 0.277 nan 8.240 nan 0.000 0.561 531 R N 2.620 123.128 120.500 0.012 0.000 2.679 531 R HA 0.437 4.791 4.340 0.024 0.000 0.269 531 R C -2.453 173.828 176.300 -0.031 0.000 1.076 531 R CA -1.704 54.392 56.100 -0.007 0.000 1.160 531 R CB 0.069 30.359 30.300 -0.017 0.000 1.054 531 R HN 0.280 nan 8.270 nan 0.000 0.507 532 P HA 0.090 nan 4.420 nan 0.000 0.277 532 P C -1.101 176.129 177.300 -0.115 0.000 1.240 532 P CA -0.167 62.892 63.100 -0.068 0.000 0.798 532 P CB 0.874 32.536 31.700 -0.064 0.000 0.979 533 L N 3.256 124.391 121.223 -0.146 0.000 2.325 533 L HA 0.573 4.928 4.340 0.024 0.000 0.281 533 L C -0.895 175.832 176.870 -0.239 0.000 1.004 533 L CA -0.757 53.956 54.840 -0.211 0.000 0.823 533 L CB 0.616 42.541 42.059 -0.222 0.000 1.236 533 L HN 0.256 nan 8.230 nan 0.000 0.415 534 I N 5.917 126.351 120.570 -0.226 0.000 2.497 534 I HA 0.239 4.423 4.170 0.024 0.000 0.284 534 I C -0.712 175.311 176.117 -0.156 0.000 1.060 534 I CA -0.532 60.622 61.300 -0.243 0.000 1.071 534 I CB 1.908 39.824 38.000 -0.139 0.000 1.216 534 I HN 0.493 nan 8.210 nan 0.000 0.442 535 L N 5.527 126.623 121.223 -0.212 0.000 2.513 535 L HA -0.020 4.335 4.340 0.024 0.000 0.272 535 L C 1.493 178.435 176.870 0.121 0.000 1.187 535 L CA -0.066 54.715 54.840 -0.098 0.000 0.895 535 L CB 0.476 42.439 42.059 -0.160 0.000 1.147 535 L HN 0.854 nan 8.230 nan 0.000 0.483 536 C N 0.251 119.614 119.300 0.105 0.000 2.539 536 C HA 0.219 4.693 4.460 0.024 0.000 0.268 536 C C 0.586 175.726 174.990 0.250 0.000 1.395 536 C CA -0.351 58.780 59.018 0.188 0.000 1.757 536 C CB -1.152 26.599 27.740 0.018 0.000 1.851 536 C HN 0.829 nan 8.230 nan 0.000 0.545 537 E N -0.717 119.566 120.200 0.139 0.000 2.343 537 E HA 0.560 4.925 4.350 0.024 0.000 0.286 537 E C -1.411 175.105 176.600 -0.141 0.000 0.915 537 E CA -0.353 56.089 56.400 0.069 0.000 0.784 537 E CB 1.913 31.515 29.700 -0.164 0.000 1.251 537 E HN 0.647 nan 8.360 nan 0.000 0.407 538 Y N -0.715 119.534 120.300 -0.086 0.000 2.713 538 Y HA 0.603 5.169 4.550 0.025 0.000 0.335 538 Y C -0.812 175.240 175.900 0.253 0.000 1.222 538 Y CA -0.686 57.394 58.100 -0.034 0.000 1.061 538 Y CB 0.789 39.102 38.460 -0.245 0.000 1.314 538 Y HN 0.654 nan 8.280 nan 0.000 0.453 539 A N 2.102 124.932 122.820 0.017 0.000 2.303 539 A HA -0.266 4.068 4.320 0.024 0.000 0.286 539 A C -0.359 177.342 177.584 0.195 0.000 1.429 539 A CA 1.107 53.173 52.037 0.049 0.000 0.738 539 A CB -2.443 16.479 19.000 -0.129 0.000 1.149 539 A HN 1.138 nan 8.150 nan 0.000 0.364 540 H N 0.829 120.058 119.070 0.264 0.000 3.191 540 H HA 0.272 4.842 4.556 0.024 0.000 0.261 540 H C 1.085 176.475 175.328 0.102 0.000 1.013 540 H CA 0.820 57.028 56.048 0.266 0.000 1.457 540 H CB 0.462 30.264 29.762 0.066 0.000 1.535 540 H HN 0.802 nan 8.280 nan 0.000 0.518 541 A N 6.717 129.452 122.820 -0.140 0.000 2.840 541 A HA 0.061 4.395 4.320 0.024 0.000 0.269 541 A C 0.901 178.358 177.584 -0.213 0.000 1.439 541 A CA -0.404 51.533 52.037 -0.167 0.000 1.083 541 A CB -0.676 18.213 19.000 -0.185 0.000 1.019 541 A HN 0.810 nan 8.150 nan 0.000 0.607 542 M N 1.441 120.907 119.600 -0.223 0.000 2.156 542 M HA 0.441 4.935 4.480 0.024 0.000 0.345 542 M C 1.007 177.206 176.300 -0.168 0.000 1.398 542 M CA 1.253 56.454 55.300 -0.165 0.000 1.148 542 M CB -0.208 32.389 32.600 -0.004 0.000 1.663 542 M HN 0.824 nan 8.290 nan 0.000 0.464 543 G N 4.319 112.987 108.800 -0.221 0.000 2.574 543 G HA2 -0.344 3.630 3.960 0.024 0.000 0.286 543 G HA3 -0.344 3.630 3.960 0.024 0.000 0.286 543 G C -0.161 174.238 174.900 -0.836 0.000 1.212 543 G CA 0.068 44.853 45.100 -0.526 0.000 0.979 543 G HN 0.845 nan 8.290 nan 0.000 0.557 544 N N 1.386 119.440 118.700 -1.077 0.000 2.406 544 N HA 0.469 5.223 4.740 0.024 0.000 0.269 544 N C 0.041 175.306 175.510 -0.409 0.000 1.210 544 N CA 1.145 53.724 53.050 -0.785 0.000 0.966 544 N CB 0.456 38.529 38.487 -0.690 0.000 1.293 544 N HN 0.814 nan 8.380 nan 0.000 0.491 545 S N 2.174 117.718 115.700 -0.259 0.000 2.998 545 S HA 0.593 5.077 4.470 0.024 0.000 0.321 545 S C -0.171 174.371 174.600 -0.096 0.000 1.171 545 S CA -0.358 57.748 58.200 -0.157 0.000 0.882 545 S CB 0.109 63.244 63.200 -0.109 0.000 1.301 545 S HN 0.388 nan 8.310 nan 0.000 0.629 546 L N 0.196 121.396 121.223 -0.038 0.000 4.447 546 L HA -0.039 4.315 4.340 0.024 0.000 0.400 546 L C 0.387 177.307 176.870 0.083 0.000 1.110 546 L CA 0.900 55.746 54.840 0.011 0.000 1.010 546 L CB -1.669 40.313 42.059 -0.129 0.000 2.154 546 L HN 0.738 nan 8.230 nan 0.000 0.685 547 G N -0.772 108.046 108.800 0.030 0.000 2.365 547 G HA2 0.489 4.464 3.960 0.024 0.000 0.249 547 G HA3 0.489 4.464 3.960 0.024 0.000 0.249 547 G C 1.223 176.169 174.900 0.078 0.000 1.288 547 G CA 0.114 45.206 45.100 -0.012 0.000 0.887 547 G HN 1.454 nan 8.290 nan 0.000 0.524 548 G N 1.541 110.377 108.800 0.060 0.000 2.159 548 G HA2 -0.324 3.651 3.960 0.024 0.000 0.256 548 G HA3 -0.324 3.651 3.960 0.024 0.000 0.256 548 G C 1.004 176.085 174.900 0.302 0.000 0.977 548 G CA 0.776 45.968 45.100 0.154 0.000 0.652 548 G HN 0.808 nan 8.290 nan 0.000 0.531 549 F N 1.787 121.859 119.950 0.202 0.000 2.161 549 F HA 0.117 4.659 4.527 0.024 0.000 0.300 549 F C 2.658 178.670 175.800 0.354 0.000 1.089 549 F CA 2.460 60.650 58.000 0.316 0.000 1.282 549 F CB -0.422 38.699 39.000 0.203 0.000 1.010 549 F HN 0.350 nan 8.300 nan 0.000 0.485 550 A N -0.263 122.735 122.820 0.296 0.000 1.978 550 A HA -0.253 4.081 4.320 0.024 0.000 0.220 550 A C 2.294 179.916 177.584 0.063 0.000 1.170 550 A CA 1.799 53.944 52.037 0.180 0.000 0.636 550 A CB -0.824 18.285 19.000 0.183 0.000 0.810 550 A HN 0.463 nan 8.150 nan 0.000 0.448 551 K N -1.761 118.657 120.400 0.030 0.000 2.147 551 K HA -0.171 4.164 4.320 0.024 0.000 0.205 551 K C 1.667 178.063 176.600 -0.339 0.000 1.049 551 K CA 1.487 57.706 56.287 -0.112 0.000 0.936 551 K CB -0.291 32.140 32.500 -0.114 0.000 0.722 551 K HN 0.545 nan 8.250 nan 0.000 0.446 552 Y N -0.845 119.195 120.300 -0.434 0.000 2.200 552 Y HA -0.205 4.359 4.550 0.023 0.000 0.290 552 Y C 1.833 176.748 175.900 -1.641 0.000 1.137 552 Y CA 1.522 59.008 58.100 -1.023 0.000 1.163 552 Y CB -0.304 37.586 38.460 -0.951 0.000 0.988 552 Y HN 0.165 nan 8.280 nan 0.000 0.518 553 W N -0.162 120.713 121.300 -0.709 0.000 2.436 553 W HA -0.139 4.536 4.660 0.025 0.000 0.284 553 W C 2.566 178.929 176.519 -0.259 0.000 1.225 553 W CA 1.208 58.276 57.345 -0.462 0.000 1.271 553 W CB -0.474 28.813 29.460 -0.288 0.000 1.114 553 W HN 0.023 nan 8.180 nan 0.000 0.559 554 Q N 0.930 120.662 119.800 -0.113 0.000 2.084 554 Q HA -0.164 4.190 4.340 0.024 0.000 0.202 554 Q C 2.186 178.139 176.000 -0.078 0.000 0.978 554 Q CA 2.105 57.879 55.803 -0.049 0.000 0.844 554 Q CB -0.609 28.108 28.738 -0.035 0.000 0.898 554 Q HN 0.260 nan 8.270 nan 0.000 0.426 555 A N 0.220 122.905 122.820 -0.225 0.000 1.898 555 A HA -0.133 4.201 4.320 0.024 0.000 0.216 555 A C 1.865 179.423 177.584 -0.043 0.000 1.181 555 A CA 1.233 53.159 52.037 -0.184 0.000 0.620 555 A CB -0.827 17.936 19.000 -0.393 0.000 0.819 555 A HN 0.372 nan 8.150 nan 0.000 0.442 556 F N 0.221 120.001 119.950 -0.285 0.000 2.126 556 F HA -0.130 4.411 4.527 0.024 0.000 0.299 556 F C 2.528 178.226 175.800 -0.170 0.000 1.096 556 F CA 1.299 59.088 58.000 -0.352 0.000 1.255 556 F CB -0.838 37.710 39.000 -0.752 0.000 0.997 556 F HN 0.191 nan 8.300 nan 0.000 0.479 557 R N -0.321 120.235 120.500 0.092 0.000 2.115 557 R HA -0.130 4.224 4.340 0.024 0.000 0.226 557 R C 2.136 178.473 176.300 0.061 0.000 1.100 557 R CA 1.051 57.191 56.100 0.066 0.000 0.980 557 R CB -0.415 29.923 30.300 0.063 0.000 0.875 557 R HN 0.383 nan 8.270 nan 0.000 0.445 558 Q N -0.236 119.629 119.800 0.109 0.000 2.187 558 Q HA -0.056 4.298 4.340 0.024 0.000 0.199 558 Q C -0.451 175.582 176.000 0.054 0.000 0.957 558 Q CA 0.902 56.761 55.803 0.094 0.000 0.857 558 Q CB 0.371 29.203 28.738 0.157 0.000 0.929 558 Q HN 0.177 nan 8.270 nan 0.000 0.453 559 Y N 0.227 120.510 120.300 -0.028 0.000 2.385 559 Y HA 0.271 4.834 4.550 0.022 0.000 0.341 559 Y C -1.803 174.071 175.900 -0.043 0.000 0.965 559 Y CA -2.828 55.255 58.100 -0.028 0.000 1.180 559 Y CB 1.386 39.834 38.460 -0.019 0.000 1.139 559 Y HN 0.125 nan 8.280 nan 0.000 0.502 560 P HA -0.176 nan 4.420 nan 0.000 0.215 560 P C 1.166 178.464 177.300 -0.004 0.000 1.157 560 P CA 1.910 65.008 63.100 -0.004 0.000 0.874 560 P CB 0.302 31.985 31.700 -0.029 0.000 0.790 561 R N -1.179 119.338 120.500 0.028 0.000 2.307 561 R HA 0.084 4.438 4.340 0.024 0.000 0.199 561 R C 0.404 176.683 176.300 -0.035 0.000 1.000 561 R CA 0.165 56.265 56.100 -0.001 0.000 1.023 561 R CB -0.485 29.828 30.300 0.020 0.000 0.908 561 R HN 0.248 nan 8.270 nan 0.000 0.473 562 L N 1.925 123.143 121.223 -0.009 0.000 2.282 562 L HA 0.141 4.495 4.340 0.024 0.000 0.287 562 L C 0.476 177.196 176.870 -0.250 0.000 1.075 562 L CA 0.121 54.904 54.840 -0.094 0.000 0.839 562 L CB 1.167 43.244 42.059 0.030 0.000 1.219 562 L HN 0.071 nan 8.230 nan 0.000 0.434 563 Q N 2.904 122.486 119.800 -0.364 0.000 2.211 563 Q HA 0.324 4.679 4.340 0.024 0.000 0.231 563 Q C 0.801 176.378 176.000 -0.705 0.000 0.865 563 Q CA 0.042 55.589 55.803 -0.427 0.000 0.997 563 Q CB 1.012 29.591 28.738 -0.264 0.000 1.101 563 Q HN 0.942 nan 8.270 nan 0.000 0.468 564 G N -0.365 107.628 108.800 -1.345 0.000 2.416 564 G HA2 0.110 4.084 3.960 0.024 0.000 0.203 564 G HA3 0.110 4.084 3.960 0.024 0.000 0.203 564 G C -0.328 173.743 174.900 -1.382 0.000 1.227 564 G CA -0.751 43.242 45.100 -1.846 0.000 1.041 564 G HN 0.576 nan 8.290 nan 0.000 0.546 565 G N -2.251 105.994 108.800 -0.924 0.000 2.349 565 G HA2 0.654 4.629 3.960 0.024 0.000 0.294 565 G HA3 0.654 4.629 3.960 0.024 0.000 0.294 565 G C -1.834 172.934 174.900 -0.220 0.000 1.380 565 G CA -0.297 44.475 45.100 -0.546 0.000 0.811 565 G HN 1.154 nan 8.290 nan 0.000 0.519 566 F N 0.704 120.864 119.950 0.349 0.000 2.403 566 F HA 0.518 5.058 4.527 0.022 0.000 0.355 566 F C 0.754 176.839 175.800 0.475 0.000 1.119 566 F CA -0.797 57.448 58.000 0.409 0.000 1.007 566 F CB 1.982 41.121 39.000 0.232 0.000 1.194 566 F HN 0.246 nan 8.300 nan 0.000 0.443 567 V N 3.311 123.533 119.914 0.514 0.000 2.763 567 V HA -0.144 3.990 4.120 0.024 0.000 0.306 567 V C -0.273 175.958 176.094 0.229 0.000 1.059 567 V CA -0.175 62.232 62.300 0.177 0.000 1.138 567 V CB 0.672 32.604 31.823 0.181 0.000 0.940 567 V HN 0.771 nan 8.190 nan 0.000 0.489 568 W N 6.554 127.924 121.300 0.117 0.000 2.296 568 W HA 0.471 5.145 4.660 0.023 0.000 0.316 568 W C -0.895 175.607 176.519 -0.028 0.000 1.022 568 W CA -0.717 56.716 57.345 0.147 0.000 1.324 568 W CB 1.361 31.055 29.460 0.390 0.000 1.227 568 W HN 0.918 nan 8.180 nan 0.000 0.409 569 D N 2.583 122.657 120.400 -0.543 0.000 2.895 569 D HA 0.107 4.761 4.640 0.024 0.000 0.320 569 D C 0.736 176.800 176.300 -0.394 0.000 1.249 569 D CA -0.526 53.034 54.000 -0.734 0.000 0.997 569 D CB 0.231 40.036 40.800 -1.659 0.000 1.430 569 D HN 0.389 nan 8.370 nan 0.000 0.558 570 W N 0.351 121.328 121.300 -0.537 0.000 2.413 570 W HA 0.144 4.819 4.660 0.024 0.000 0.315 570 W C -0.080 176.206 176.519 -0.388 0.000 1.186 570 W CA 1.153 58.237 57.345 -0.434 0.000 1.326 570 W CB 0.334 29.561 29.460 -0.388 0.000 1.153 570 W HN 0.142 nan 8.180 nan 0.000 0.489 571 V N 2.639 122.289 119.914 -0.439 0.000 2.656 571 V HA 0.238 4.372 4.120 0.024 0.000 0.307 571 V C -0.892 174.997 176.094 -0.342 0.000 1.051 571 V CA -0.791 61.209 62.300 -0.499 0.000 0.893 571 V CB 1.497 33.136 31.823 -0.306 0.000 0.999 571 V HN -0.101 nan 8.190 nan 0.000 0.426 572 D N 4.043 124.246 120.400 -0.329 0.000 2.525 572 D HA 0.081 4.735 4.640 0.024 0.000 0.235 572 D C 0.377 176.526 176.300 -0.252 0.000 1.137 572 D CA 0.699 54.573 54.000 -0.209 0.000 0.868 572 D CB 0.857 41.632 40.800 -0.042 0.000 1.180 572 D HN 0.613 nan 8.370 nan 0.000 0.465 573 Q N 1.064 120.649 119.800 -0.357 0.000 2.894 573 Q HA 0.112 4.467 4.340 0.024 0.000 0.358 573 Q C -0.090 175.843 176.000 -0.113 0.000 1.155 573 Q CA -0.311 55.053 55.803 -0.732 0.000 0.960 573 Q CB 0.066 28.492 28.738 -0.520 0.000 1.428 573 Q HN 0.377 nan 8.270 nan 0.000 0.437 574 S N -0.393 115.363 115.700 0.093 0.000 2.610 574 S HA 0.603 5.087 4.470 0.024 0.000 0.273 574 S C -0.060 174.713 174.600 0.287 0.000 1.274 574 S CA -0.725 57.652 58.200 0.295 0.000 1.023 574 S CB 1.430 64.791 63.200 0.269 0.000 0.962 574 S HN 0.299 nan 8.310 nan 0.000 0.523 575 L N 1.338 122.668 121.223 0.179 0.000 2.333 575 L HA 0.579 4.933 4.340 0.024 0.000 0.269 575 L C -0.509 176.292 176.870 -0.114 0.000 1.010 575 L CA -1.086 53.739 54.840 -0.024 0.000 0.818 575 L CB 1.627 43.547 42.059 -0.232 0.000 1.306 575 L HN 0.638 nan 8.230 nan 0.000 0.430 576 I N 1.906 122.346 120.570 -0.217 0.000 2.365 576 I HA 0.268 4.453 4.170 0.024 0.000 0.291 576 I C -0.081 175.650 176.117 -0.643 0.000 1.004 576 I CA -0.088 60.944 61.300 -0.446 0.000 1.311 576 I CB 0.966 38.720 38.000 -0.410 0.000 1.401 576 I HN 0.510 nan 8.210 nan 0.000 0.491 577 K N 5.066 124.791 120.400 -1.126 0.000 2.433 577 K HA 0.642 4.976 4.320 0.024 0.000 0.252 577 K C -1.706 174.076 176.600 -1.364 0.000 1.015 577 K CA -0.859 54.704 56.287 -1.207 0.000 0.860 577 K CB 2.340 33.799 32.500 -1.734 0.000 1.359 577 K HN 0.249 nan 8.250 nan 0.000 0.452 578 Y N 0.355 120.356 120.300 -0.497 0.000 2.512 578 Y HA 0.170 4.734 4.550 0.024 0.000 0.348 578 Y C -0.083 175.886 175.900 0.116 0.000 0.990 578 Y CA -1.245 56.763 58.100 -0.154 0.000 1.033 578 Y CB 1.304 39.711 38.460 -0.089 0.000 1.259 578 Y HN 0.684 nan 8.280 nan 0.000 0.461 579 D N -0.581 120.059 120.400 0.399 0.000 2.440 579 D HA 0.063 4.717 4.640 0.024 0.000 0.269 579 D C 0.909 177.320 176.300 0.184 0.000 1.249 579 D CA -0.413 53.773 54.000 0.310 0.000 1.055 579 D CB 0.378 41.318 40.800 0.233 0.000 1.104 579 D HN 0.751 nan 8.370 nan 0.000 0.561 580 E N -0.888 119.383 120.200 0.119 0.000 2.265 580 E HA -0.225 4.139 4.350 0.024 0.000 0.196 580 E C 0.600 177.237 176.600 0.062 0.000 0.996 580 E CA 0.811 57.255 56.400 0.072 0.000 0.832 580 E CB -0.423 29.304 29.700 0.046 0.000 0.756 580 E HN 0.282 nan 8.360 nan 0.000 0.491 581 N N 0.317 119.064 118.700 0.078 0.000 2.280 581 N HA 0.063 4.818 4.740 0.024 0.000 0.192 581 N C 0.821 176.376 175.510 0.074 0.000 1.109 581 N CA 0.833 53.921 53.050 0.063 0.000 0.855 581 N CB 1.244 39.767 38.487 0.060 0.000 0.974 581 N HN 0.445 nan 8.380 nan 0.000 0.482 582 G N 0.995 109.859 108.800 0.106 0.000 2.143 582 G HA2 -0.244 3.731 3.960 0.024 0.000 0.249 582 G HA3 -0.244 3.731 3.960 0.024 0.000 0.249 582 G C -0.186 174.859 174.900 0.242 0.000 0.981 582 G CA -0.395 44.773 45.100 0.113 0.000 0.665 582 G HN 0.261 nan 8.290 nan 0.000 0.528 583 N N 2.088 120.925 118.700 0.229 0.000 2.458 583 N HA 0.393 5.148 4.740 0.024 0.000 0.270 583 N C -2.339 173.304 175.510 0.221 0.000 1.102 583 N CA -0.891 52.286 53.050 0.213 0.000 0.967 583 N CB 1.692 40.275 38.487 0.160 0.000 1.078 583 N HN 0.262 nan 8.380 nan 0.000 0.471 584 P HA 0.287 nan 4.420 nan 0.000 0.282 584 P C -0.558 176.664 177.300 -0.130 0.000 1.249 584 P CA -0.423 62.482 63.100 -0.325 0.000 0.806 584 P CB 0.825 32.300 31.700 -0.375 0.000 0.984 585 W N -0.062 120.989 121.300 -0.416 0.000 3.033 585 W HA 0.445 5.120 4.660 0.024 0.000 0.336 585 W C -1.325 175.004 176.519 -0.317 0.000 1.173 585 W CA -1.152 55.962 57.345 -0.385 0.000 1.185 585 W CB 0.470 29.485 29.460 -0.741 0.000 1.425 585 W HN 0.132 nan 8.180 nan 0.000 0.536 586 S N 1.569 117.352 115.700 0.139 0.000 2.481 586 S HA 0.551 5.036 4.470 0.024 0.000 0.276 586 S C 0.165 174.961 174.600 0.327 0.000 1.247 586 S CA -0.224 58.065 58.200 0.147 0.000 1.053 586 S CB 0.824 64.154 63.200 0.216 0.000 0.925 586 S HN 0.593 nan 8.310 nan 0.000 0.491 587 A N 2.973 125.876 122.820 0.138 0.000 2.337 587 A HA 0.894 5.228 4.320 0.024 0.000 0.331 587 A C -0.753 177.107 177.584 0.459 0.000 1.137 587 A CA -0.767 51.397 52.037 0.212 0.000 0.807 587 A CB 0.741 19.603 19.000 -0.231 0.000 1.250 587 A HN 0.838 nan 8.150 nan 0.000 0.468 588 Y N -0.883 119.759 120.300 0.571 0.000 2.944 588 Y HA 0.765 5.329 4.550 0.024 0.000 0.312 588 Y C 0.680 176.948 175.900 0.612 0.000 1.417 588 Y CA -1.420 57.010 58.100 0.550 0.000 1.105 588 Y CB -0.089 38.527 38.460 0.260 0.000 1.364 588 Y HN 0.958 nan 8.280 nan 0.000 0.540 589 G N -0.005 109.177 108.800 0.638 0.000 2.187 589 G HA2 0.351 4.325 3.960 0.024 0.000 0.239 589 G HA3 0.351 4.325 3.960 0.024 0.000 0.239 589 G C 0.981 176.198 174.900 0.529 0.000 1.200 589 G CA 0.575 45.983 45.100 0.513 0.000 0.888 589 G HN 2.005 nan 8.290 nan 0.000 0.482 590 G N 2.228 111.313 108.800 0.475 0.000 2.241 590 G HA2 -0.276 3.698 3.960 0.024 0.000 0.244 590 G HA3 -0.276 3.698 3.960 0.024 0.000 0.244 590 G C 0.887 175.982 174.900 0.324 0.000 0.998 590 G CA 0.660 45.977 45.100 0.361 0.000 0.621 590 G HN 0.650 nan 8.290 nan 0.000 0.519 591 D N -0.175 120.432 120.400 0.345 0.000 2.371 591 D HA 0.131 4.785 4.640 0.024 0.000 0.221 591 D C 1.184 177.378 176.300 -0.175 0.000 0.986 591 D CA 0.518 54.562 54.000 0.073 0.000 0.899 591 D CB -0.179 40.601 40.800 -0.033 0.000 0.902 591 D HN 0.474 nan 8.370 nan 0.000 0.530 592 F N -0.687 119.380 119.950 0.195 0.000 2.708 592 F HA 0.316 4.857 4.527 0.024 0.000 0.300 592 F C 1.761 177.642 175.800 0.134 0.000 1.118 592 F CA -0.295 57.781 58.000 0.126 0.000 1.307 592 F CB 0.675 39.742 39.000 0.112 0.000 0.986 592 F HN -0.064 nan 8.300 nan 0.000 0.522 593 G N 0.409 109.361 108.800 0.253 0.000 2.184 593 G HA2 -0.292 3.682 3.960 0.024 0.000 0.264 593 G HA3 -0.292 3.682 3.960 0.024 0.000 0.264 593 G C -0.116 174.916 174.900 0.220 0.000 0.975 593 G CA 0.243 45.460 45.100 0.195 0.000 0.642 593 G HN 0.439 nan 8.290 nan 0.000 0.536 594 D N 0.363 120.943 120.400 0.300 0.000 2.417 594 D HA 0.495 5.149 4.640 0.024 0.000 0.250 594 D C 0.072 176.491 176.300 0.200 0.000 1.166 594 D CA 0.915 55.079 54.000 0.274 0.000 0.881 594 D CB 1.623 42.644 40.800 0.369 0.000 1.164 594 D HN 0.307 nan 8.370 nan 0.000 0.467 595 T N 1.306 115.947 114.554 0.145 0.000 3.047 595 T HA 0.414 4.779 4.350 0.024 0.000 0.340 595 T C -2.749 171.987 174.700 0.061 0.000 1.421 595 T CA -1.113 61.042 62.100 0.093 0.000 1.090 595 T CB 1.053 69.975 68.868 0.090 0.000 1.292 595 T HN 0.219 nan 8.240 nan 0.000 0.480 596 P HA 0.491 nan 4.420 nan 0.000 0.271 596 P C -0.996 176.289 177.300 -0.025 0.000 1.233 596 P CA -0.277 62.818 63.100 -0.008 0.000 0.789 596 P CB 0.348 32.020 31.700 -0.046 0.000 0.951 597 N N -1.682 116.994 118.700 -0.041 0.000 2.708 597 N HA 0.279 5.033 4.740 0.024 0.000 0.257 597 N C -1.312 174.125 175.510 -0.121 0.000 1.373 597 N CA -0.770 52.230 53.050 -0.085 0.000 0.843 597 N CB 0.926 39.455 38.487 0.069 0.000 1.503 597 N HN 0.081 nan 8.380 nan 0.000 0.504 598 D N 0.127 120.386 120.400 -0.234 0.000 2.755 598 D HA 0.133 4.787 4.640 0.024 0.000 0.257 598 D C 0.510 176.939 176.300 0.216 0.000 1.291 598 D CA -0.157 53.773 54.000 -0.116 0.000 0.836 598 D CB 0.197 40.812 40.800 -0.308 0.000 1.059 598 D HN 0.710 nan 8.370 nan 0.000 0.486 599 R N 0.947 121.607 120.500 0.266 0.000 3.517 599 R HA -0.343 4.011 4.340 0.024 0.000 0.577 599 R C 1.255 177.666 176.300 0.186 0.000 0.241 599 R CA 1.653 57.963 56.100 0.350 0.000 1.784 599 R CB -1.591 28.821 30.300 0.187 0.000 0.850 599 R HN 0.194 nan 8.270 nan 0.000 0.625 600 Q N 1.284 120.864 119.800 -0.367 0.000 2.482 600 Q HA -0.059 4.295 4.340 0.024 0.000 0.209 600 Q C 1.518 177.398 176.000 -0.200 0.000 0.961 600 Q CA 1.253 56.675 55.803 -0.635 0.000 0.945 600 Q CB -0.020 28.122 28.738 -0.993 0.000 1.012 600 Q HN 0.592 nan 8.270 nan 0.000 0.515 601 F N 2.072 121.960 119.950 -0.103 0.000 2.722 601 F HA -0.071 4.470 4.527 0.023 0.000 0.298 601 F C 1.763 177.549 175.800 -0.024 0.000 1.175 601 F CA 0.335 58.349 58.000 0.024 0.000 1.462 601 F CB -0.081 38.991 39.000 0.120 0.000 1.111 601 F HN 0.428 nan 8.300 nan 0.000 0.592 602 C N -1.180 117.836 119.300 -0.473 0.000 2.618 602 C HA 0.287 4.761 4.460 0.024 0.000 0.264 602 C C 0.982 175.738 174.990 -0.390 0.000 1.334 602 C CA -0.500 58.060 59.018 -0.764 0.000 1.731 602 C CB -1.762 25.006 27.740 -1.620 0.000 1.852 602 C HN 0.192 nan 8.230 nan 0.000 0.566 603 M N 2.713 122.148 119.600 -0.276 0.000 2.103 603 M HA 0.289 4.784 4.480 0.024 0.000 0.350 603 M C -0.532 175.654 176.300 -0.190 0.000 1.100 603 M CA 0.351 55.546 55.300 -0.174 0.000 1.042 603 M CB -0.052 32.511 32.600 -0.061 0.000 1.368 603 M HN 0.352 nan 8.290 nan 0.000 0.404 604 N N 0.807 119.369 118.700 -0.229 0.000 2.305 604 N HA 0.207 4.962 4.740 0.024 0.000 0.248 604 N C 0.392 175.698 175.510 -0.341 0.000 1.290 604 N CA -0.528 52.339 53.050 -0.306 0.000 0.873 604 N CB 1.204 39.522 38.487 -0.282 0.000 1.261 604 N HN 0.660 nan 8.380 nan 0.000 0.504 605 G N -0.050 108.536 108.800 -0.357 0.000 2.528 605 G HA2 0.364 4.338 3.960 0.024 0.000 0.289 605 G HA3 0.364 4.338 3.960 0.024 0.000 0.289 605 G C 0.654 175.171 174.900 -0.638 0.000 1.192 605 G CA -0.548 44.245 45.100 -0.513 0.000 0.921 605 G HN 0.102 nan 8.290 nan 0.000 0.512 606 L N -0.294 120.514 121.223 -0.692 0.000 2.341 606 L HA 0.145 4.499 4.340 0.024 0.000 0.214 606 L C 0.883 177.154 176.870 -0.998 0.000 1.115 606 L CA 0.317 54.770 54.840 -0.646 0.000 0.820 606 L CB -0.196 41.599 42.059 -0.439 0.000 0.944 606 L HN 0.386 nan 8.230 nan 0.000 0.452 607 V N -4.938 114.219 119.914 -1.262 0.000 2.914 607 V HA 0.495 4.629 4.120 0.024 0.000 0.314 607 V C -0.229 175.254 176.094 -1.018 0.000 1.084 607 V CA -1.216 60.416 62.300 -1.113 0.000 0.963 607 V CB 1.680 32.927 31.823 -0.960 0.000 1.025 607 V HN -0.160 nan 8.190 nan 0.000 0.432 608 F N 1.757 121.433 119.950 -0.456 0.000 2.440 608 F HA 0.589 5.131 4.527 0.024 0.000 0.323 608 F C 1.919 177.605 175.800 -0.190 0.000 1.192 608 F CA 0.647 58.560 58.000 -0.145 0.000 1.252 608 F CB 0.765 39.766 39.000 0.002 0.000 1.214 608 F HN 0.798 nan 8.300 nan 0.000 0.578 609 A N 0.773 123.667 122.820 0.123 0.000 1.948 609 A HA -0.230 4.104 4.320 0.024 0.000 0.220 609 A C 1.652 179.206 177.584 -0.051 0.000 1.177 609 A CA 1.948 54.008 52.037 0.038 0.000 0.636 609 A CB -1.035 18.027 19.000 0.102 0.000 0.815 609 A HN 0.787 nan 8.150 nan 0.000 0.449 610 D N -2.760 117.625 120.400 -0.025 0.000 2.324 610 D HA 0.092 4.746 4.640 0.024 0.000 0.235 610 D C 0.631 176.907 176.300 -0.039 0.000 1.095 610 D CA 0.095 54.051 54.000 -0.073 0.000 0.871 610 D CB -0.196 40.567 40.800 -0.062 0.000 0.906 610 D HN 0.205 nan 8.370 nan 0.000 0.522 611 R N -1.728 118.745 120.500 -0.044 0.000 3.963 611 R HA -0.126 4.229 4.340 0.024 0.000 0.394 611 R C -0.428 175.855 176.300 -0.029 0.000 1.131 611 R CA 1.029 57.089 56.100 -0.067 0.000 1.059 611 R CB -3.221 27.081 30.300 0.004 0.000 1.614 611 R HN 0.248 nan 8.270 nan 0.000 0.546 612 T N 2.288 116.878 114.554 0.061 0.000 2.814 612 T HA 0.341 4.705 4.350 0.024 0.000 0.297 612 T C -2.334 172.466 174.700 0.167 0.000 0.956 612 T CA -0.907 61.271 62.100 0.130 0.000 1.123 612 T CB 1.096 70.056 68.868 0.152 0.000 0.902 612 T HN -0.088 nan 8.240 nan 0.000 0.528 613 P HA 0.136 nan 4.420 nan 0.000 0.271 613 P C -0.157 177.148 177.300 0.009 0.000 1.216 613 P CA -0.115 62.948 63.100 -0.062 0.000 0.776 613 P CB 0.364 32.050 31.700 -0.024 0.000 0.881 614 H N 3.223 122.091 119.070 -0.336 0.000 2.505 614 H HA 0.120 4.691 4.556 0.024 0.000 0.355 614 H C -1.312 173.903 175.328 -0.189 0.000 1.179 614 H CA -1.974 53.845 56.048 -0.381 0.000 1.343 614 H CB 0.512 30.013 29.762 -0.435 0.000 1.501 614 H HN 0.354 nan 8.280 nan 0.000 0.569 615 P HA -0.213 nan 4.420 nan 0.000 0.216 615 P C 1.206 178.502 177.300 -0.006 0.000 1.150 615 P CA 1.733 64.820 63.100 -0.021 0.000 0.843 615 P CB 0.042 31.732 31.700 -0.016 0.000 0.787 616 A N -0.691 122.128 122.820 -0.002 0.000 2.032 616 A HA -0.217 4.117 4.320 0.024 0.000 0.221 616 A C 2.085 179.614 177.584 -0.091 0.000 1.165 616 A CA 1.448 53.449 52.037 -0.060 0.000 0.645 616 A CB -1.640 17.307 19.000 -0.089 0.000 0.807 616 A HN 0.170 nan 8.150 nan 0.000 0.453 617 L N -0.598 120.589 121.223 -0.059 0.000 2.079 617 L HA -0.134 4.221 4.340 0.024 0.000 0.210 617 L C 2.539 179.446 176.870 0.061 0.000 1.081 617 L CA 2.749 57.588 54.840 -0.002 0.000 0.752 617 L CB -1.011 41.042 42.059 -0.009 0.000 0.896 617 L HN 0.394 nan 8.230 nan 0.000 0.433 618 T N -1.721 112.873 114.554 0.067 0.000 2.867 618 T HA -0.190 4.174 4.350 0.024 0.000 0.268 618 T C 1.799 176.598 174.700 0.164 0.000 1.057 618 T CA 1.396 63.588 62.100 0.154 0.000 1.136 618 T CB -0.109 68.831 68.868 0.120 0.000 0.874 618 T HN 0.479 nan 8.240 nan 0.000 0.466 619 E N 0.821 121.057 120.200 0.061 0.000 2.072 619 E HA 0.068 4.433 4.350 0.024 0.000 0.191 619 E C 2.179 178.773 176.600 -0.009 0.000 0.985 619 E CA 1.377 57.814 56.400 0.061 0.000 0.801 619 E CB -0.625 29.078 29.700 0.005 0.000 0.750 619 E HN 0.525 nan 8.360 nan 0.000 0.452 620 A N 1.044 123.742 122.820 -0.203 0.000 1.877 620 A HA -0.221 4.113 4.320 0.024 0.000 0.216 620 A C 2.177 179.626 177.584 -0.225 0.000 1.186 620 A CA 1.925 53.784 52.037 -0.298 0.000 0.620 620 A CB -0.648 18.166 19.000 -0.310 0.000 0.822 620 A HN 0.272 nan 8.150 nan 0.000 0.443 621 K N -1.219 119.127 120.400 -0.089 0.000 2.032 621 K HA -0.297 4.037 4.320 0.024 0.000 0.209 621 K C 2.071 178.558 176.600 -0.187 0.000 1.048 621 K CA 2.074 58.324 56.287 -0.062 0.000 0.927 621 K CB -0.366 32.248 32.500 0.191 0.000 0.712 621 K HN 0.639 nan 8.250 nan 0.000 0.441 622 H N 0.362 119.245 119.070 -0.311 0.000 2.321 622 H HA -0.042 4.529 4.556 0.024 0.000 0.300 622 H C 1.987 177.042 175.328 -0.454 0.000 1.087 622 H CA 1.871 57.553 56.048 -0.610 0.000 1.319 622 H CB 0.058 29.506 29.762 -0.522 0.000 1.379 622 H HN 0.240 nan 8.280 nan 0.000 0.501 623 Q N 0.204 119.756 119.800 -0.413 0.000 2.224 623 Q HA -0.082 4.272 4.340 0.024 0.000 0.203 623 Q C 1.586 177.032 176.000 -0.922 0.000 0.970 623 Q CA 1.173 56.652 55.803 -0.540 0.000 0.865 623 Q CB 0.052 28.627 28.738 -0.272 0.000 0.922 623 Q HN 0.707 nan 8.270 nan 0.000 0.445 624 Q N 0.101 119.317 119.800 -0.973 0.000 2.280 624 Q HA 0.079 4.433 4.340 0.024 0.000 0.202 624 Q C -0.126 175.311 176.000 -0.939 0.000 0.903 624 Q CA -0.222 54.853 55.803 -1.214 0.000 0.948 624 Q CB 0.360 28.438 28.738 -1.101 0.000 1.058 624 Q HN 0.380 nan 8.270 nan 0.000 0.493 625 Q N -0.380 119.025 119.800 -0.659 0.000 2.369 625 Q HA -0.067 4.287 4.340 0.024 0.000 0.295 625 Q C -0.144 175.515 176.000 -0.568 0.000 1.075 625 Q CA 0.459 56.014 55.803 -0.414 0.000 0.941 625 Q CB 0.418 28.996 28.738 -0.267 0.000 1.260 625 Q HN 0.303 nan 8.270 nan 0.000 0.417 626 F N 0.330 120.063 119.950 -0.362 0.000 2.727 626 F HA 0.220 4.761 4.527 0.023 0.000 0.302 626 F C -0.207 175.069 175.800 -0.875 0.000 1.097 626 F CA -0.015 57.542 58.000 -0.738 0.000 1.330 626 F CB 0.542 38.786 39.000 -1.260 0.000 1.084 626 F HN 0.300 nan 8.300 nan 0.000 0.578 627 F N 0.446 120.333 119.950 -0.103 0.000 2.529 627 F HA 0.485 5.027 4.527 0.025 0.000 0.320 627 F C -0.134 175.344 175.800 -0.536 0.000 1.118 627 F CA -1.175 56.660 58.000 -0.274 0.000 0.915 627 F CB 1.308 40.196 39.000 -0.187 0.000 1.161 627 F HN -0.309 nan 8.300 nan 0.000 0.445 628 Q N 3.088 122.639 119.800 -0.416 0.000 2.266 628 Q HA 0.599 4.953 4.340 0.024 0.000 0.261 628 Q C -1.311 174.384 176.000 -0.508 0.000 0.985 628 Q CA -0.604 54.996 55.803 -0.338 0.000 0.873 628 Q CB 2.675 31.339 28.738 -0.123 0.000 1.306 628 Q HN 0.503 nan 8.270 nan 0.000 0.447 629 F N 0.150 120.233 119.950 0.223 0.000 2.576 629 F HA 0.617 5.159 4.527 0.025 0.000 0.313 629 F C 0.342 176.393 175.800 0.418 0.000 1.078 629 F CA -0.887 57.325 58.000 0.354 0.000 0.921 629 F CB 1.837 41.186 39.000 0.582 0.000 1.232 629 F HN 0.106 nan 8.300 nan 0.000 0.459 630 R N 1.624 122.425 120.500 0.502 0.000 2.651 630 R HA 0.686 5.040 4.340 0.024 0.000 0.278 630 R C -2.064 174.263 176.300 0.044 0.000 1.010 630 R CA -1.162 55.135 56.100 0.328 0.000 0.896 630 R CB 3.115 33.517 30.300 0.172 0.000 1.211 630 R HN 0.606 nan 8.270 nan 0.000 0.456 631 L N 0.717 121.845 121.223 -0.158 0.000 2.362 631 L HA 0.543 4.897 4.340 0.024 0.000 0.275 631 L C -0.925 175.795 176.870 -0.249 0.000 0.998 631 L CA -0.035 54.514 54.840 -0.485 0.000 0.820 631 L CB 2.129 43.465 42.059 -1.205 0.000 1.270 631 L HN 0.584 nan 8.230 nan 0.000 0.415 632 S N 3.828 119.402 115.700 -0.210 0.000 2.721 632 S HA 0.680 5.164 4.470 0.024 0.000 0.264 632 S C 0.288 174.805 174.600 -0.139 0.000 1.161 632 S CA 0.285 58.406 58.200 -0.131 0.000 1.113 632 S CB 0.138 63.289 63.200 -0.081 0.000 1.079 632 S HN 1.634 nan 8.310 nan 0.000 0.479 633 G N 4.884 113.603 108.800 -0.135 0.000 2.595 633 G HA2 -0.343 3.632 3.960 0.024 0.000 0.297 633 G HA3 -0.343 3.632 3.960 0.024 0.000 0.297 633 G C 0.421 175.224 174.900 -0.162 0.000 1.181 633 G CA 0.749 45.775 45.100 -0.123 0.000 0.963 633 G HN 1.147 nan 8.290 nan 0.000 0.541 634 Q N -0.389 119.316 119.800 -0.158 0.000 2.155 634 Q HA 0.497 4.852 4.340 0.024 0.000 0.220 634 Q C -0.042 175.830 176.000 -0.214 0.000 0.819 634 Q CA 0.525 56.211 55.803 -0.195 0.000 1.032 634 Q CB 0.639 29.277 28.738 -0.166 0.000 1.151 634 Q HN 0.422 nan 8.270 nan 0.000 0.487 635 T N 1.801 116.239 114.554 -0.193 0.000 2.779 635 T HA 0.451 4.815 4.350 0.024 0.000 0.280 635 T C -0.504 174.080 174.700 -0.193 0.000 0.987 635 T CA -0.488 61.511 62.100 -0.168 0.000 0.966 635 T CB 1.142 69.944 68.868 -0.110 0.000 0.933 635 T HN 0.178 nan 8.240 nan 0.000 0.442 636 I N 3.089 123.559 120.570 -0.167 0.000 2.336 636 I HA 0.326 4.510 4.170 0.024 0.000 0.292 636 I C 0.538 176.656 176.117 0.001 0.000 0.991 636 I CA -0.585 60.639 61.300 -0.126 0.000 1.227 636 I CB 1.415 39.370 38.000 -0.075 0.000 1.366 636 I HN 0.707 nan 8.210 nan 0.000 0.466 637 E N 6.300 126.530 120.200 0.050 0.000 2.113 637 E HA 0.443 4.808 4.350 0.024 0.000 0.273 637 E C -1.522 175.158 176.600 0.134 0.000 0.924 637 E CA -0.495 55.950 56.400 0.075 0.000 0.764 637 E CB 1.576 31.306 29.700 0.051 0.000 1.104 637 E HN 0.345 nan 8.360 nan 0.000 0.406 638 V N 4.335 124.311 119.914 0.103 0.000 2.370 638 V HA 0.303 4.437 4.120 0.024 0.000 0.283 638 V C -0.067 176.041 176.094 0.022 0.000 1.023 638 V CA -0.532 61.791 62.300 0.038 0.000 0.857 638 V CB 1.670 33.545 31.823 0.087 0.000 0.985 638 V HN 0.702 nan 8.190 nan 0.000 0.443 639 T N 3.393 117.922 114.554 -0.041 0.000 2.779 639 T HA 0.333 4.697 4.350 0.024 0.000 0.280 639 T C 0.006 174.715 174.700 0.016 0.000 0.987 639 T CA -0.263 61.835 62.100 -0.004 0.000 0.966 639 T CB 1.506 70.353 68.868 -0.035 0.000 0.933 639 T HN 0.683 nan 8.240 nan 0.000 0.442 640 S N 2.042 117.771 115.700 0.048 0.000 2.513 640 S HA 0.206 4.691 4.470 0.024 0.000 0.276 640 S C 0.728 175.219 174.600 -0.182 0.000 1.254 640 S CA -0.568 57.599 58.200 -0.054 0.000 1.053 640 S CB 0.523 63.777 63.200 0.090 0.000 0.958 640 S HN 0.706 nan 8.310 nan 0.000 0.491 641 E N 3.043 123.032 120.200 -0.352 0.000 2.465 641 E HA 0.092 4.456 4.350 0.024 0.000 0.195 641 E C -0.838 175.587 176.600 -0.293 0.000 1.028 641 E CA -0.108 56.116 56.400 -0.292 0.000 0.899 641 E CB 0.268 29.778 29.700 -0.316 0.000 1.032 641 E HN 0.656 nan 8.360 nan 0.000 0.468 642 Y N 0.413 120.591 120.300 -0.204 0.000 2.336 642 Y HA 0.041 4.605 4.550 0.024 0.000 0.331 642 Y C 1.375 177.093 175.900 -0.303 0.000 1.211 642 Y CA 0.243 58.214 58.100 -0.215 0.000 1.346 642 Y CB 0.709 39.023 38.460 -0.243 0.000 1.271 642 Y HN -0.049 nan 8.280 nan 0.000 0.538 643 L N 1.029 122.063 121.223 -0.316 0.000 2.408 643 L HA 0.055 4.410 4.340 0.024 0.000 0.215 643 L C 0.622 176.980 176.870 -0.855 0.000 1.081 643 L CA 0.558 54.947 54.840 -0.752 0.000 0.840 643 L CB 0.022 41.302 42.059 -1.299 0.000 1.002 643 L HN 0.550 nan 8.230 nan 0.000 0.468 644 F N -0.511 119.438 119.950 -0.000 0.000 2.699 644 F HA 0.218 4.759 4.527 0.022 0.000 0.295 644 F C 1.229 177.002 175.800 -0.045 0.000 1.052 644 F CA -0.771 57.205 58.000 -0.039 0.000 1.239 644 F CB 0.058 39.023 39.000 -0.057 0.000 1.018 644 F HN -0.129 nan 8.300 nan 0.000 0.627 645 R N 0.266 120.797 120.500 0.051 0.000 2.598 645 R HA 0.400 4.754 4.340 0.024 0.000 0.279 645 R C -0.527 175.737 176.300 -0.060 0.000 0.984 645 R CA -0.567 55.519 56.100 -0.024 0.000 0.999 645 R CB 0.750 30.943 30.300 -0.179 0.000 1.114 645 R HN 0.091 nan 8.270 nan 0.000 0.493 646 H N 0.494 119.551 119.070 -0.021 0.000 2.508 646 H HA 0.067 4.637 4.556 0.024 0.000 0.358 646 H C 0.198 175.545 175.328 0.031 0.000 1.212 646 H CA 0.088 56.156 56.048 0.032 0.000 1.356 646 H CB 1.732 31.517 29.762 0.039 0.000 1.525 646 H HN 0.784 nan 8.280 nan 0.000 0.578 647 S N 0.903 116.747 115.700 0.241 0.000 4.085 647 S HA -0.061 4.423 4.470 0.024 0.000 0.189 647 S C 0.394 175.091 174.600 0.160 0.000 1.392 647 S CA -0.660 57.690 58.200 0.250 0.000 0.972 647 S CB -0.798 62.596 63.200 0.322 0.000 1.482 647 S HN 0.568 nan 8.310 nan 0.000 0.446 648 D N 0.721 121.191 120.400 0.116 0.000 2.323 648 D HA 0.021 4.676 4.640 0.024 0.000 0.239 648 D C 0.343 176.679 176.300 0.061 0.000 1.129 648 D CA -0.169 53.877 54.000 0.077 0.000 0.865 648 D CB -0.416 40.415 40.800 0.052 0.000 0.913 648 D HN 0.523 nan 8.370 nan 0.000 0.517 649 N N -0.017 118.732 118.700 0.081 0.000 2.604 649 N HA 0.114 4.868 4.740 0.024 0.000 0.284 649 N C -1.573 174.005 175.510 0.113 0.000 1.716 649 N CA -0.197 52.899 53.050 0.077 0.000 0.859 649 N CB 0.347 38.870 38.487 0.059 0.000 1.403 649 N HN -0.064 nan 8.380 nan 0.000 0.501 650 E N -0.075 120.186 120.200 0.103 0.000 2.343 650 E HA 0.566 4.930 4.350 0.024 0.000 0.278 650 E C -1.588 175.052 176.600 0.066 0.000 0.910 650 E CA -0.791 55.664 56.400 0.093 0.000 0.757 650 E CB 2.297 32.021 29.700 0.040 0.000 1.218 650 E HN 0.262 nan 8.360 nan 0.000 0.435 651 L N 0.776 122.056 121.223 0.095 0.000 2.445 651 L HA 0.685 5.039 4.340 0.024 0.000 0.262 651 L C -1.949 175.015 176.870 0.158 0.000 0.974 651 L CA -0.900 53.999 54.840 0.099 0.000 0.822 651 L CB 1.393 43.510 42.059 0.096 0.000 1.339 651 L HN 0.518 nan 8.230 nan 0.000 0.409 652 L N 3.556 124.861 121.223 0.136 0.000 2.257 652 L HA 0.552 4.906 4.340 0.024 0.000 0.290 652 L C -0.789 176.211 176.870 0.217 0.000 1.044 652 L CA 0.323 55.290 54.840 0.212 0.000 0.810 652 L CB 0.312 42.502 42.059 0.218 0.000 1.193 652 L HN 0.722 nan 8.230 nan 0.000 0.425 653 H N 5.143 124.298 119.070 0.142 0.000 2.489 653 H HA 0.527 5.097 4.556 0.024 0.000 0.322 653 H C -0.971 174.458 175.328 0.169 0.000 1.091 653 H CA -0.028 56.066 56.048 0.077 0.000 1.291 653 H CB 0.803 30.574 29.762 0.015 0.000 1.436 653 H HN 0.620 nan 8.280 nan 0.000 0.480 654 W N 4.842 126.229 121.300 0.145 0.000 2.936 654 W HA 0.598 5.272 4.660 0.024 0.000 0.338 654 W C -1.672 174.910 176.519 0.105 0.000 1.121 654 W CA -1.368 56.051 57.345 0.123 0.000 1.209 654 W CB 1.049 30.564 29.460 0.091 0.000 1.420 654 W HN 0.586 nan 8.180 nan 0.000 0.516 655 M N 2.398 122.193 119.600 0.324 0.000 2.365 655 M HA 0.642 5.136 4.480 0.024 0.000 0.287 655 M C -2.343 174.143 176.300 0.310 0.000 1.154 655 M CA -0.878 54.505 55.300 0.138 0.000 0.941 655 M CB 1.977 34.579 32.600 0.002 0.000 1.704 655 M HN 0.093 nan 8.290 nan 0.000 0.479 656 V N 2.322 122.412 119.914 0.294 0.000 2.459 656 V HA 0.961 5.096 4.120 0.024 0.000 0.295 656 V C -0.232 175.970 176.094 0.180 0.000 1.029 656 V CA -0.354 62.113 62.300 0.278 0.000 0.874 656 V CB 1.477 33.480 31.823 0.300 0.000 0.985 656 V HN 1.031 nan 8.190 nan 0.000 0.438 657 A N 4.464 127.399 122.820 0.192 0.000 2.449 657 A HA 0.861 5.196 4.320 0.024 0.000 0.302 657 A C -1.439 176.258 177.584 0.188 0.000 1.048 657 A CA -0.612 51.507 52.037 0.136 0.000 0.708 657 A CB 1.694 20.733 19.000 0.065 0.000 1.274 657 A HN 0.835 nan 8.150 nan 0.000 0.410 658 L N 1.818 123.121 121.223 0.134 0.000 2.262 658 L HA 0.468 4.822 4.340 0.024 0.000 0.288 658 L C -0.369 176.586 176.870 0.142 0.000 1.035 658 L CA 0.254 55.187 54.840 0.155 0.000 0.820 658 L CB 0.184 42.303 42.059 0.102 0.000 1.204 658 L HN 0.766 nan 8.230 nan 0.000 0.424 659 D N 4.909 125.449 120.400 0.234 0.000 2.704 659 D HA -0.232 4.423 4.640 0.024 0.000 0.232 659 D C 1.145 177.450 176.300 0.009 0.000 1.183 659 D CA 1.284 55.401 54.000 0.195 0.000 0.647 659 D CB -0.965 39.926 40.800 0.152 0.000 1.013 659 D HN 1.200 nan 8.370 nan 0.000 0.415 660 G N -0.398 108.367 108.800 -0.058 0.000 2.234 660 G HA2 -0.375 3.599 3.960 0.024 0.000 0.260 660 G HA3 -0.375 3.599 3.960 0.024 0.000 0.260 660 G C 0.303 175.112 174.900 -0.151 0.000 0.987 660 G CA 0.604 45.573 45.100 -0.219 0.000 0.625 660 G HN 0.479 nan 8.290 nan 0.000 0.532 661 K N 1.853 122.215 120.400 -0.062 0.000 2.267 661 K HA 0.442 4.777 4.320 0.024 0.000 0.282 661 K C -2.528 174.059 176.600 -0.022 0.000 1.078 661 K CA -1.827 54.432 56.287 -0.047 0.000 0.903 661 K CB 1.230 33.719 32.500 -0.018 0.000 1.111 661 K HN 0.068 nan 8.250 nan 0.000 0.475 662 P HA -0.125 nan 4.420 nan 0.000 0.262 662 P C -0.256 177.045 177.300 0.002 0.000 1.182 662 P CA 0.157 63.242 63.100 -0.026 0.000 0.761 662 P CB 0.550 32.217 31.700 -0.055 0.000 0.795 663 L N 3.911 125.153 121.223 0.033 0.000 2.515 663 L HA 0.601 4.955 4.340 0.024 0.000 0.202 663 L C 0.235 177.139 176.870 0.056 0.000 1.056 663 L CA 0.914 55.785 54.840 0.052 0.000 0.847 663 L CB 0.035 42.144 42.059 0.084 0.000 1.131 663 L HN 0.406 nan 8.230 nan 0.000 0.484 664 A N -1.398 121.465 122.820 0.071 0.000 2.605 664 A HA 0.752 5.086 4.320 0.024 0.000 0.294 664 A C -0.981 176.520 177.584 -0.138 0.000 1.062 664 A CA 0.159 52.227 52.037 0.052 0.000 0.682 664 A CB 1.005 20.146 19.000 0.235 0.000 1.278 664 A HN 0.276 nan 8.150 nan 0.000 0.410 665 S N -0.391 115.000 115.700 -0.515 0.000 2.643 665 S HA 0.988 5.473 4.470 0.024 0.000 0.270 665 S C -0.235 173.513 174.600 -1.420 0.000 1.166 665 S CA -0.116 57.416 58.200 -1.114 0.000 0.815 665 S CB 1.201 64.088 63.200 -0.522 0.000 1.139 665 S HN 2.663 nan 8.310 nan 0.000 0.472 666 G N -0.197 107.593 108.800 -1.683 0.000 2.356 666 G HA2 0.555 4.529 3.960 0.024 0.000 0.294 666 G HA3 0.555 4.529 3.960 0.024 0.000 0.294 666 G C -2.352 172.145 174.900 -0.672 0.000 1.423 666 G CA -0.812 43.734 45.100 -0.923 0.000 0.806 666 G HN 0.785 nan 8.290 nan 0.000 0.527 667 E N -1.379 118.670 120.200 -0.251 0.000 2.312 667 E HA 0.703 5.067 4.350 0.024 0.000 0.267 667 E C -1.320 175.295 176.600 0.026 0.000 0.894 667 E CA -1.030 55.238 56.400 -0.221 0.000 0.773 667 E CB 3.252 32.691 29.700 -0.434 0.000 1.241 667 E HN 0.340 nan 8.360 nan 0.000 0.432 668 V N 2.221 122.168 119.914 0.055 0.000 2.697 668 V HA 0.267 4.401 4.120 0.024 0.000 0.300 668 V C -2.578 173.552 176.094 0.059 0.000 1.115 668 V CA -1.811 60.541 62.300 0.087 0.000 0.912 668 V CB 1.887 33.794 31.823 0.140 0.000 1.024 668 V HN 0.557 nan 8.190 nan 0.000 0.431 669 P HA 0.254 nan 4.420 nan 0.000 0.268 669 P C -0.699 176.631 177.300 0.050 0.000 1.205 669 P CA -0.003 63.122 63.100 0.042 0.000 0.771 669 P CB 0.590 32.311 31.700 0.036 0.000 0.858 670 L N 3.044 124.293 121.223 0.044 0.000 2.289 670 L HA 0.357 4.712 4.340 0.024 0.000 0.285 670 L C 0.295 177.207 176.870 0.070 0.000 1.049 670 L CA 0.062 54.924 54.840 0.037 0.000 0.804 670 L CB 1.010 43.042 42.059 -0.045 0.000 1.195 670 L HN 0.336 nan 8.230 nan 0.000 0.428 671 D N 2.937 123.392 120.400 0.091 0.000 2.552 671 D HA 0.332 4.987 4.640 0.024 0.000 0.285 671 D C -1.253 175.143 176.300 0.161 0.000 1.206 671 D CA -0.142 53.934 54.000 0.126 0.000 0.826 671 D CB 0.934 41.791 40.800 0.095 0.000 1.179 671 D HN 0.036 nan 8.370 nan 0.000 0.508 672 V N 1.524 121.554 119.914 0.193 0.000 2.459 672 V HA 0.829 4.963 4.120 0.024 0.000 0.295 672 V C 0.833 176.990 176.094 0.105 0.000 1.029 672 V CA -1.118 61.285 62.300 0.173 0.000 0.874 672 V CB 1.316 33.270 31.823 0.218 0.000 0.985 672 V HN 0.523 nan 8.190 nan 0.000 0.438 673 A N 6.987 129.784 122.820 -0.038 0.000 2.313 673 A HA 0.675 5.010 4.320 0.024 0.000 0.261 673 A C -2.205 175.208 177.584 -0.284 0.000 1.090 673 A CA -1.466 50.269 52.037 -0.503 0.000 0.807 673 A CB -0.100 18.733 19.000 -0.278 0.000 1.055 673 A HN 0.688 nan 8.150 nan 0.000 0.492 674 P HA 0.010 nan 4.420 nan 0.000 0.264 674 P C -0.551 176.675 177.300 -0.123 0.000 1.193 674 P CA 0.606 63.610 63.100 -0.160 0.000 0.763 674 P CB 0.833 32.430 31.700 -0.172 0.000 0.810 675 Q N -0.914 118.829 119.800 -0.096 0.000 2.305 675 Q HA -0.160 4.195 4.340 0.024 0.000 0.203 675 Q C 0.816 176.786 176.000 -0.049 0.000 0.663 675 Q CA 1.855 57.608 55.803 -0.084 0.000 1.389 675 Q CB -2.496 26.186 28.738 -0.094 0.000 1.566 675 Q HN 0.788 nan 8.270 nan 0.000 0.755 676 G N 0.221 109.001 108.800 -0.034 0.000 2.543 676 G HA2 0.540 4.514 3.960 0.024 0.000 0.290 676 G HA3 0.540 4.514 3.960 0.024 0.000 0.290 676 G C -0.225 174.689 174.900 0.024 0.000 1.310 676 G CA -0.472 44.625 45.100 -0.004 0.000 1.025 676 G HN -0.003 nan 8.290 nan 0.000 0.502 677 K N -0.686 119.735 120.400 0.034 0.000 2.435 677 K HA 0.446 4.781 4.320 0.024 0.000 0.251 677 K C -1.038 175.594 176.600 0.054 0.000 0.954 677 K CA -0.624 55.689 56.287 0.043 0.000 0.820 677 K CB 2.669 35.186 32.500 0.028 0.000 1.292 677 K HN 0.512 nan 8.250 nan 0.000 0.436 678 Q N 2.554 122.390 119.800 0.061 0.000 2.347 678 Q HA 0.417 4.772 4.340 0.024 0.000 0.271 678 Q C -1.646 174.384 176.000 0.050 0.000 1.064 678 Q CA -0.693 55.146 55.803 0.059 0.000 0.800 678 Q CB 1.568 30.351 28.738 0.074 0.000 1.304 678 Q HN 0.528 nan 8.270 nan 0.000 0.438 679 L N 5.112 126.355 121.223 0.033 0.000 2.287 679 L HA 0.539 4.894 4.340 0.024 0.000 0.287 679 L C -0.552 176.321 176.870 0.006 0.000 1.022 679 L CA -0.568 54.281 54.840 0.015 0.000 0.814 679 L CB 1.302 43.362 42.059 0.001 0.000 1.217 679 L HN 0.572 nan 8.230 nan 0.000 0.420 680 I N 2.915 123.480 120.570 -0.007 0.000 2.382 680 I HA 0.198 4.382 4.170 0.024 0.000 0.286 680 I C -0.149 175.912 176.117 -0.092 0.000 1.002 680 I CA -0.562 60.720 61.300 -0.029 0.000 1.135 680 I CB 1.919 39.917 38.000 -0.004 0.000 1.288 680 I HN 0.532 nan 8.210 nan 0.000 0.448 681 E N 7.412 127.556 120.200 -0.092 0.000 2.105 681 E HA 0.331 4.696 4.350 0.024 0.000 0.285 681 E C -0.892 175.595 176.600 -0.190 0.000 1.055 681 E CA -0.282 56.043 56.400 -0.126 0.000 0.843 681 E CB 0.618 30.268 29.700 -0.083 0.000 1.067 681 E HN 0.457 nan 8.360 nan 0.000 0.398 682 L N 6.997 128.043 121.223 -0.295 0.000 2.426 682 L HA 0.293 4.647 4.340 0.024 0.000 0.271 682 L C -1.489 175.202 176.870 -0.299 0.000 1.169 682 L CA -1.671 52.890 54.840 -0.465 0.000 0.836 682 L CB 0.353 42.024 42.059 -0.647 0.000 1.112 682 L HN 0.583 nan 8.230 nan 0.000 0.465 683 P HA -0.028 nan 4.420 nan 0.000 0.288 683 P C -0.709 176.539 177.300 -0.087 0.000 1.291 683 P CA -0.473 62.571 63.100 -0.093 0.000 0.766 683 P CB 0.436 32.151 31.700 0.026 0.000 1.242 684 E N -0.069 120.115 120.200 -0.026 0.000 2.344 684 E HA 0.164 4.528 4.350 0.024 0.000 0.270 684 E C -0.735 175.872 176.600 0.011 0.000 1.021 684 E CA -0.262 56.128 56.400 -0.017 0.000 0.887 684 E CB 0.014 29.713 29.700 -0.001 0.000 0.997 684 E HN 0.281 nan 8.360 nan 0.000 0.429 685 L N 7.310 128.534 121.223 0.001 0.000 2.272 685 L HA 0.350 4.704 4.340 0.024 0.000 0.289 685 L C -1.820 175.071 176.870 0.035 0.000 1.032 685 L CA -2.132 52.729 54.840 0.035 0.000 0.810 685 L CB 1.371 43.442 42.059 0.021 0.000 1.205 685 L HN 0.516 nan 8.230 nan 0.000 0.422 686 P HA 0.056 nan 4.420 nan 0.000 0.273 686 P C -0.760 176.561 177.300 0.035 0.000 1.319 686 P CA -0.373 62.750 63.100 0.038 0.000 0.885 686 P CB 0.441 32.167 31.700 0.043 0.000 1.015 687 Q N 4.806 124.621 119.800 0.025 0.000 2.320 687 Q HA 0.012 4.367 4.340 0.024 0.000 0.311 687 Q C -1.362 174.654 176.000 0.027 0.000 1.083 687 Q CA -0.742 55.075 55.803 0.022 0.000 1.001 687 Q CB -0.283 28.462 28.738 0.013 0.000 1.074 687 Q HN 0.477 nan 8.270 nan 0.000 0.379 688 P HA -0.090 nan 4.420 nan 0.000 0.271 688 P C -0.085 177.232 177.300 0.027 0.000 1.233 688 P CA 0.055 63.175 63.100 0.034 0.000 0.789 688 P CB 0.997 32.723 31.700 0.043 0.000 0.951 689 E N 0.897 121.113 120.200 0.026 0.000 2.038 689 E HA -0.025 4.339 4.350 0.024 0.000 0.190 689 E C 0.601 177.216 176.600 0.025 0.000 0.967 689 E CA 0.146 56.560 56.400 0.023 0.000 0.816 689 E CB -0.175 29.537 29.700 0.020 0.000 0.784 689 E HN 0.606 nan 8.360 nan 0.000 0.456 690 S N 0.531 116.247 115.700 0.028 0.000 2.576 690 S HA 0.337 4.821 4.470 0.024 0.000 0.272 690 S C 0.295 174.916 174.600 0.037 0.000 1.352 690 S CA -0.350 57.869 58.200 0.032 0.000 1.021 690 S CB 1.230 64.450 63.200 0.034 0.000 0.887 690 S HN 0.396 nan 8.310 nan 0.000 0.542 691 A N 1.649 124.491 122.820 0.038 0.000 2.327 691 A HA 0.735 5.069 4.320 0.024 0.000 0.255 691 A C 0.967 178.584 177.584 0.055 0.000 1.099 691 A CA 0.138 52.200 52.037 0.041 0.000 0.801 691 A CB -0.657 18.367 19.000 0.039 0.000 1.062 691 A HN 2.345 nan 8.150 nan 0.000 0.496 692 G N -1.095 107.740 108.800 0.057 0.000 2.351 692 G HA2 0.444 4.418 3.960 0.024 0.000 0.353 692 G HA3 0.444 4.418 3.960 0.024 0.000 0.353 692 G C -1.156 173.789 174.900 0.074 0.000 1.358 692 G CA -0.194 44.955 45.100 0.081 0.000 0.995 692 G HN 1.125 nan 8.290 nan 0.000 0.611 693 Q N -0.150 119.716 119.800 0.111 0.000 2.278 693 Q HA 0.706 5.060 4.340 0.024 0.000 0.257 693 Q C -0.190 175.890 176.000 0.134 0.000 0.928 693 Q CA -0.543 55.296 55.803 0.059 0.000 0.932 693 Q CB 1.157 29.912 28.738 0.028 0.000 1.221 693 Q HN 0.556 nan 8.270 nan 0.000 0.434 694 L N 4.423 125.662 121.223 0.027 0.000 2.305 694 L HA 0.422 4.776 4.340 0.024 0.000 0.281 694 L C -0.743 176.149 176.870 0.035 0.000 1.085 694 L CA -0.447 54.452 54.840 0.099 0.000 0.813 694 L CB 0.635 42.729 42.059 0.057 0.000 1.157 694 L HN 0.672 nan 8.230 nan 0.000 0.436 695 W N 4.312 125.676 121.300 0.106 0.000 2.587 695 W HA 0.497 5.171 4.660 0.024 0.000 0.324 695 W C -0.635 175.990 176.519 0.177 0.000 1.040 695 W CA -0.506 56.923 57.345 0.140 0.000 1.222 695 W CB 1.674 31.239 29.460 0.175 0.000 1.381 695 W HN 0.145 nan 8.180 nan 0.000 0.483 696 L N 3.605 125.087 121.223 0.432 0.000 2.296 696 L HA 0.750 5.104 4.340 0.024 0.000 0.286 696 L C -0.355 176.808 176.870 0.489 0.000 1.023 696 L CA 0.137 55.230 54.840 0.421 0.000 0.812 696 L CB 1.322 43.600 42.059 0.365 0.000 1.223 696 L HN 0.305 nan 8.230 nan 0.000 0.421 697 T N 5.145 119.942 114.554 0.406 0.000 2.841 697 T HA 0.652 5.017 4.350 0.024 0.000 0.285 697 T C -0.816 174.077 174.700 0.321 0.000 0.991 697 T CA -0.441 61.855 62.100 0.327 0.000 0.966 697 T CB 1.483 70.484 68.868 0.221 0.000 0.962 697 T HN 0.599 nan 8.240 nan 0.000 0.438 698 V N 1.685 121.763 119.914 0.273 0.000 2.769 698 V HA 0.847 4.982 4.120 0.024 0.000 0.312 698 V C -0.711 175.471 176.094 0.147 0.000 1.061 698 V CA -1.132 61.306 62.300 0.230 0.000 0.931 698 V CB 1.937 33.873 31.823 0.189 0.000 1.010 698 V HN 0.824 nan 8.190 nan 0.000 0.433 699 R N 2.176 122.794 120.500 0.196 0.000 2.651 699 R HA 0.740 5.094 4.340 0.024 0.000 0.278 699 R C -1.706 174.744 176.300 0.249 0.000 1.010 699 R CA -0.782 55.454 56.100 0.226 0.000 0.896 699 R CB 2.748 33.139 30.300 0.152 0.000 1.211 699 R HN 0.673 nan 8.270 nan 0.000 0.456 700 V N 3.531 123.619 119.914 0.291 0.000 2.383 700 V HA 0.345 4.480 4.120 0.024 0.000 0.275 700 V C -0.131 176.096 176.094 0.222 0.000 1.036 700 V CA -0.565 61.888 62.300 0.255 0.000 0.889 700 V CB 1.552 33.528 31.823 0.255 0.000 0.985 700 V HN 0.429 nan 8.190 nan 0.000 0.459 701 V N 5.145 125.176 119.914 0.195 0.000 2.628 701 V HA 0.420 4.554 4.120 0.024 0.000 0.306 701 V C -0.247 175.946 176.094 0.165 0.000 1.045 701 V CA -0.792 61.591 62.300 0.139 0.000 0.905 701 V CB 2.008 33.857 31.823 0.044 0.000 0.997 701 V HN 0.886 nan 8.190 nan 0.000 0.436 702 Q N 4.581 124.479 119.800 0.163 0.000 2.398 702 Q HA 0.271 4.625 4.340 0.024 0.000 0.251 702 Q C -1.963 174.087 176.000 0.084 0.000 0.999 702 Q CA -1.710 54.176 55.803 0.140 0.000 0.874 702 Q CB 1.827 30.656 28.738 0.152 0.000 1.215 702 Q HN 0.461 nan 8.270 nan 0.000 0.470 703 P HA -0.172 nan 4.420 nan 0.000 0.217 703 P C -0.574 176.738 177.300 0.020 0.000 1.150 703 P CA 1.162 64.295 63.100 0.054 0.000 0.832 703 P CB 0.374 32.110 31.700 0.060 0.000 0.787 704 N N -0.585 118.119 118.700 0.005 0.000 2.473 704 N HA 0.441 5.195 4.740 0.024 0.000 0.291 704 N C -0.358 175.109 175.510 -0.072 0.000 1.083 704 N CA -0.676 52.359 53.050 -0.024 0.000 0.951 704 N CB 0.911 39.386 38.487 -0.019 0.000 1.164 704 N HN -0.056 nan 8.380 nan 0.000 0.480 705 A N 0.984 123.753 122.820 -0.085 0.000 2.406 705 A HA 0.480 4.815 4.320 0.024 0.000 0.243 705 A C 0.587 178.055 177.584 -0.194 0.000 1.082 705 A CA -0.053 51.897 52.037 -0.145 0.000 0.786 705 A CB 0.080 19.020 19.000 -0.099 0.000 1.029 705 A HN 0.712 nan 8.150 nan 0.000 0.495 706 T N -3.263 111.097 114.554 -0.324 0.000 2.742 706 T HA 0.626 4.990 4.350 0.024 0.000 0.282 706 T C 0.895 175.447 174.700 -0.247 0.000 1.025 706 T CA 0.047 61.945 62.100 -0.337 0.000 1.020 706 T CB 1.105 69.574 68.868 -0.666 0.000 1.317 706 T HN 1.373 nan 8.240 nan 0.000 0.538 707 A N -0.078 122.688 122.820 -0.091 0.000 2.121 707 A HA 0.122 4.457 4.320 0.024 0.000 0.218 707 A C 1.573 179.304 177.584 0.245 0.000 1.154 707 A CA 1.007 53.092 52.037 0.080 0.000 0.679 707 A CB -0.860 18.198 19.000 0.096 0.000 0.795 707 A HN 0.913 nan 8.150 nan 0.000 0.458 708 W N -0.693 120.670 121.300 0.106 0.000 2.714 708 W HA 0.435 5.110 4.660 0.025 0.000 0.353 708 W C -0.274 176.218 176.519 -0.044 0.000 0.999 708 W CA 0.464 57.846 57.345 0.063 0.000 1.629 708 W CB -0.992 28.497 29.460 0.049 0.000 1.106 708 W HN 0.428 nan 8.180 nan 0.000 0.545 709 S N 0.007 115.297 115.700 -0.685 0.000 2.547 709 S HA 0.423 4.907 4.470 0.024 0.000 0.270 709 S C -1.056 173.316 174.600 -0.380 0.000 1.150 709 S CA -0.754 57.057 58.200 -0.647 0.000 0.850 709 S CB 2.539 64.923 63.200 -1.360 0.000 1.118 709 S HN 0.132 nan 8.310 nan 0.000 0.461 710 E N 0.854 120.946 120.200 -0.181 0.000 2.318 710 E HA 0.588 4.953 4.350 0.024 0.000 0.265 710 E C 0.307 176.873 176.600 -0.057 0.000 1.069 710 E CA -0.846 55.502 56.400 -0.085 0.000 0.893 710 E CB 1.121 30.812 29.700 -0.015 0.000 1.076 710 E HN 0.885 nan 8.360 nan 0.000 0.414 711 A N 1.033 123.828 122.820 -0.042 0.000 2.531 711 A HA 0.353 4.687 4.320 0.024 0.000 0.236 711 A C 1.204 178.798 177.584 0.016 0.000 1.062 711 A CA 0.801 52.828 52.037 -0.016 0.000 0.760 711 A CB -0.544 18.449 19.000 -0.012 0.000 0.995 711 A HN 0.850 nan 8.150 nan 0.000 0.501 712 G N 0.292 109.112 108.800 0.033 0.000 2.176 712 G HA2 -0.242 3.733 3.960 0.024 0.000 0.253 712 G HA3 -0.242 3.733 3.960 0.024 0.000 0.253 712 G C 0.319 175.246 174.900 0.045 0.000 0.979 712 G CA 0.444 45.560 45.100 0.026 0.000 0.641 712 G HN 1.505 nan 8.290 nan 0.000 0.530 713 H N 0.744 119.810 119.070 -0.007 0.000 3.004 713 H HA 0.301 4.871 4.556 0.024 0.000 0.316 713 H C 0.350 175.740 175.328 0.104 0.000 1.014 713 H CA 0.385 56.453 56.048 0.034 0.000 1.454 713 H CB 0.210 29.966 29.762 -0.011 0.000 1.472 713 H HN 0.303 nan 8.280 nan 0.000 0.571 714 I N 4.972 125.291 120.570 -0.418 0.000 2.325 714 I HA -0.069 4.115 4.170 0.024 0.000 0.291 714 I C 1.301 177.322 176.117 -0.160 0.000 1.019 714 I CA -0.024 61.178 61.300 -0.165 0.000 1.302 714 I CB 1.500 39.452 38.000 -0.080 0.000 1.401 714 I HN 0.596 nan 8.210 nan 0.000 0.485 715 S N 4.116 119.948 115.700 0.219 0.000 2.512 715 S HA 0.584 5.068 4.470 0.024 0.000 0.216 715 S C 0.410 175.288 174.600 0.463 0.000 1.006 715 S CA -0.041 58.423 58.200 0.439 0.000 0.915 715 S CB 0.599 64.174 63.200 0.625 0.000 0.824 715 S HN 0.713 nan 8.310 nan 0.000 0.497 716 A N 0.549 123.667 122.820 0.498 0.000 2.605 716 A HA 0.669 5.003 4.320 0.024 0.000 0.294 716 A C -1.830 176.080 177.584 0.542 0.000 1.062 716 A CA -0.832 51.462 52.037 0.427 0.000 0.682 716 A CB 0.419 19.749 19.000 0.551 0.000 1.278 716 A HN 0.971 nan 8.150 nan 0.000 0.410 717 W N -0.045 121.411 121.300 0.260 0.000 3.059 717 W HA 0.795 5.470 4.660 0.025 0.000 0.329 717 W C -1.281 175.250 176.519 0.020 0.000 1.246 717 W CA -0.536 56.842 57.345 0.056 0.000 1.190 717 W CB 1.061 30.540 29.460 0.032 0.000 1.423 717 W HN 1.031 nan 8.180 nan 0.000 0.571 718 Q N 0.976 120.782 119.800 0.011 0.000 2.578 718 Q HA 0.479 4.833 4.340 0.024 0.000 0.284 718 Q C -1.642 174.198 176.000 -0.267 0.000 0.960 718 Q CA -0.494 55.162 55.803 -0.244 0.000 0.809 718 Q CB 2.436 30.787 28.738 -0.645 0.000 1.462 718 Q HN 0.613 nan 8.270 nan 0.000 0.392 719 Q N 1.018 120.591 119.800 -0.378 0.000 2.421 719 Q HA 0.625 4.980 4.340 0.024 0.000 0.280 719 Q C -1.272 174.571 176.000 -0.261 0.000 1.085 719 Q CA -0.705 55.064 55.803 -0.056 0.000 0.807 719 Q CB 2.406 31.324 28.738 0.301 0.000 1.405 719 Q HN 0.585 nan 8.270 nan 0.000 0.419 720 W N 1.046 122.468 121.300 0.204 0.000 3.127 720 W HA 0.432 5.106 4.660 0.023 0.000 0.330 720 W C -0.442 175.953 176.519 -0.207 0.000 1.187 720 W CA -0.623 56.732 57.345 0.016 0.000 1.198 720 W CB 1.782 31.247 29.460 0.007 0.000 1.408 720 W HN 0.419 nan 8.180 nan 0.000 0.529 721 R N 2.083 122.438 120.500 -0.242 0.000 2.308 721 R HA 0.474 4.829 4.340 0.024 0.000 0.305 721 R C 0.470 176.619 176.300 -0.252 0.000 1.053 721 R CA -0.193 55.524 56.100 -0.638 0.000 0.957 721 R CB 1.238 31.118 30.300 -0.699 0.000 1.022 721 R HN 0.315 nan 8.270 nan 0.000 0.461 722 L N 1.339 122.428 121.223 -0.224 0.000 2.793 722 L HA 0.517 4.872 4.340 0.024 0.000 0.188 722 L C 0.643 177.442 176.870 -0.119 0.000 1.949 722 L CA -0.955 53.819 54.840 -0.109 0.000 2.556 722 L CB -0.112 41.921 42.059 -0.043 0.000 2.898 722 L HN 0.583 nan 8.230 nan 0.000 0.621 723 A N 0.405 123.182 122.820 -0.072 0.000 2.445 723 A HA 0.235 4.569 4.320 0.024 0.000 0.242 723 A C -0.311 177.238 177.584 -0.059 0.000 1.075 723 A CA 0.203 52.205 52.037 -0.057 0.000 0.777 723 A CB 0.160 19.141 19.000 -0.031 0.000 1.013 723 A HN 0.613 nan 8.150 nan 0.000 0.493 724 E N 1.317 121.487 120.200 -0.050 0.000 2.256 724 E HA 0.339 4.703 4.350 0.024 0.000 0.268 724 E C -1.494 175.099 176.600 -0.012 0.000 0.877 724 E CA -0.723 55.656 56.400 -0.035 0.000 0.757 724 E CB 0.988 30.655 29.700 -0.054 0.000 1.183 724 E HN 0.674 nan 8.360 nan 0.000 0.418 725 N N 5.177 123.880 118.700 0.006 0.000 2.524 725 N HA 0.268 5.022 4.740 0.024 0.000 0.261 725 N C -0.584 174.938 175.510 0.020 0.000 0.998 725 N CA -0.380 52.677 53.050 0.012 0.000 0.915 725 N CB 1.277 39.774 38.487 0.017 0.000 1.187 725 N HN 0.503 nan 8.380 nan 0.000 0.507 726 L N 0.878 122.112 121.223 0.017 0.000 2.456 726 L HA 0.065 4.420 4.340 0.024 0.000 0.272 726 L C 1.337 178.223 176.870 0.028 0.000 1.189 726 L CA 0.128 54.982 54.840 0.024 0.000 0.846 726 L CB 0.433 42.505 42.059 0.021 0.000 1.111 726 L HN 0.386 nan 8.230 nan 0.000 0.475 727 S N 2.043 117.764 115.700 0.035 0.000 2.443 727 S HA 0.201 4.686 4.470 0.024 0.000 0.284 727 S C 0.750 175.368 174.600 0.030 0.000 1.206 727 S CA -0.744 57.476 58.200 0.034 0.000 1.074 727 S CB 0.561 63.786 63.200 0.042 0.000 0.963 727 S HN 0.471 nan 8.310 nan 0.000 0.501 728 V N 2.600 122.528 119.914 0.024 0.000 3.570 728 V HA 0.279 4.414 4.120 0.024 0.000 0.257 728 V C 1.027 177.132 176.094 0.019 0.000 1.272 728 V CA 0.492 62.804 62.300 0.021 0.000 1.079 728 V CB -0.857 30.975 31.823 0.017 0.000 0.829 728 V HN 0.875 nan 8.190 nan 0.000 0.454 729 T N 3.123 117.689 114.554 0.020 0.000 2.775 729 T HA 0.485 4.850 4.350 0.024 0.000 0.287 729 T C 0.148 174.859 174.700 0.019 0.000 0.909 729 T CA -0.382 61.729 62.100 0.017 0.000 1.081 729 T CB -0.256 68.622 68.868 0.018 0.000 0.891 729 T HN 0.711 nan 8.240 nan 0.000 0.544 730 L N 3.063 124.295 121.223 0.015 0.000 2.490 730 L HA 0.462 4.816 4.340 0.024 0.000 0.274 730 L C -1.698 175.180 176.870 0.013 0.000 1.201 730 L CA -1.682 53.166 54.840 0.014 0.000 0.869 730 L CB -0.577 41.488 42.059 0.009 0.000 1.123 730 L HN 0.371 nan 8.230 nan 0.000 0.484 731 P HA 0.167 nan 4.420 nan 0.000 0.271 731 P C -0.508 176.794 177.300 0.003 0.000 1.218 731 P CA -0.416 62.693 63.100 0.015 0.000 0.780 731 P CB 1.084 32.798 31.700 0.022 0.000 0.901 732 A N 2.666 125.487 122.820 0.002 0.000 2.496 732 A HA 0.402 4.736 4.320 0.024 0.000 0.278 732 A C 0.941 178.505 177.584 -0.034 0.000 1.137 732 A CA -0.095 51.932 52.037 -0.016 0.000 0.805 732 A CB -0.995 18.003 19.000 -0.003 0.000 1.077 732 A HN 0.719 nan 8.150 nan 0.000 0.513 733 A N 3.991 126.776 122.820 -0.058 0.000 2.546 733 A HA 0.459 4.793 4.320 0.024 0.000 0.243 733 A C 1.210 178.711 177.584 -0.139 0.000 1.063 733 A CA 0.341 52.335 52.037 -0.071 0.000 0.757 733 A CB -0.295 18.662 19.000 -0.071 0.000 0.991 733 A HN 1.816 nan 8.150 nan 0.000 0.503 734 S N 1.883 117.542 115.700 -0.067 0.000 2.641 734 S HA 0.125 4.609 4.470 0.024 0.000 0.251 734 S C 0.581 175.097 174.600 -0.140 0.000 1.332 734 S CA 0.857 59.044 58.200 -0.023 0.000 0.968 734 S CB -0.063 63.188 63.200 0.085 0.000 0.987 734 S HN 0.744 nan 8.310 nan 0.000 0.587 735 H N -0.464 118.621 119.070 0.025 0.000 2.729 735 H HA 0.540 5.111 4.556 0.024 0.000 0.263 735 H C 0.923 176.267 175.328 0.027 0.000 0.961 735 H CA 0.337 56.399 56.048 0.023 0.000 1.217 735 H CB -0.574 29.200 29.762 0.020 0.000 1.447 735 H HN 0.794 nan 8.280 nan 0.000 0.496 736 A N 1.951 124.870 122.820 0.166 0.000 2.445 736 A HA 0.372 4.706 4.320 0.024 0.000 0.242 736 A C -0.326 177.310 177.584 0.086 0.000 1.075 736 A CA 0.033 52.138 52.037 0.113 0.000 0.777 736 A CB 0.036 19.101 19.000 0.109 0.000 1.013 736 A HN 0.222 nan 8.150 nan 0.000 0.493 737 I N 2.779 123.399 120.570 0.083 0.000 2.447 737 I HA 0.315 4.499 4.170 0.024 0.000 0.287 737 I C -2.381 173.794 176.117 0.096 0.000 1.023 737 I CA -2.264 59.079 61.300 0.072 0.000 1.083 737 I CB 1.097 39.136 38.000 0.065 0.000 1.245 737 I HN 0.391 nan 8.210 nan 0.000 0.434 738 P HA 0.122 nan 4.420 nan 0.000 0.269 738 P C -0.513 176.874 177.300 0.144 0.000 1.215 738 P CA 0.277 63.446 63.100 0.114 0.000 0.780 738 P CB 0.527 32.246 31.700 0.032 0.000 0.898 739 H N 2.145 121.265 119.070 0.084 0.000 2.495 739 H HA 0.428 4.999 4.556 0.024 0.000 0.348 739 H C -1.370 174.009 175.328 0.085 0.000 1.113 739 H CA -0.926 55.163 56.048 0.069 0.000 1.195 739 H CB 1.371 31.173 29.762 0.067 0.000 1.521 739 H HN 0.214 nan 8.280 nan 0.000 0.509 740 L N 4.537 125.402 121.223 -0.596 0.000 2.272 740 L HA 0.309 4.663 4.340 0.024 0.000 0.289 740 L C -0.677 175.979 176.870 -0.357 0.000 1.032 740 L CA -0.053 54.588 54.840 -0.332 0.000 0.810 740 L CB 1.347 43.267 42.059 -0.231 0.000 1.205 740 L HN 0.557 nan 8.230 nan 0.000 0.422 741 T N 3.611 118.158 114.554 -0.012 0.000 2.770 741 T HA 0.500 4.865 4.350 0.024 0.000 0.283 741 T C -0.281 174.507 174.700 0.147 0.000 0.988 741 T CA -0.334 61.827 62.100 0.101 0.000 0.957 741 T CB 0.913 69.883 68.868 0.171 0.000 0.930 741 T HN 0.661 nan 8.240 nan 0.000 0.443 742 T N 3.128 117.762 114.554 0.133 0.000 2.797 742 T HA 0.677 5.041 4.350 0.024 0.000 0.279 742 T C 0.095 174.822 174.700 0.044 0.000 0.991 742 T CA -0.758 61.430 62.100 0.147 0.000 0.979 742 T CB 1.217 70.212 68.868 0.213 0.000 0.943 742 T HN 0.691 nan 8.240 nan 0.000 0.444 743 S N 1.540 117.219 115.700 -0.035 0.000 2.704 743 S HA 0.544 5.028 4.470 0.024 0.000 0.296 743 S C 0.875 175.400 174.600 -0.125 0.000 1.138 743 S CA -0.783 57.386 58.200 -0.052 0.000 0.875 743 S CB 1.855 65.036 63.200 -0.032 0.000 1.151 743 S HN 0.523 nan 8.310 nan 0.000 0.500 744 E N -0.071 120.074 120.200 -0.091 0.000 2.106 744 E HA 0.020 4.384 4.350 0.024 0.000 0.192 744 E C 1.362 177.875 176.600 -0.146 0.000 0.984 744 E CA 1.544 57.879 56.400 -0.108 0.000 0.806 744 E CB -0.161 29.502 29.700 -0.061 0.000 0.750 744 E HN 0.603 nan 8.360 nan 0.000 0.458 745 M N 0.327 119.857 119.600 -0.117 0.000 2.465 745 M HA 0.221 4.716 4.480 0.024 0.000 0.249 745 M C -0.528 175.695 176.300 -0.129 0.000 1.130 745 M CA 0.508 55.747 55.300 -0.103 0.000 1.067 745 M CB -0.124 32.450 32.600 -0.042 0.000 1.394 745 M HN -0.100 nan 8.290 nan 0.000 0.483 746 D N -1.617 118.678 120.400 -0.175 0.000 2.583 746 D HA 0.453 5.107 4.640 0.024 0.000 0.248 746 D C -1.440 174.749 176.300 -0.185 0.000 1.209 746 D CA -0.317 53.605 54.000 -0.130 0.000 0.848 746 D CB 1.778 42.598 40.800 0.034 0.000 1.431 746 D HN -0.225 nan 8.370 nan 0.000 0.436 747 F N 1.072 121.104 119.950 0.136 0.000 2.434 747 F HA 0.407 4.948 4.527 0.024 0.000 0.355 747 F C -0.559 175.372 175.800 0.218 0.000 1.115 747 F CA -1.104 56.969 58.000 0.121 0.000 1.010 747 F CB 1.038 40.074 39.000 0.060 0.000 1.234 747 F HN 0.265 nan 8.300 nan 0.000 0.439 748 C N 5.245 124.757 119.300 0.353 0.000 2.303 748 C HA 0.658 5.133 4.460 0.024 0.000 0.326 748 C C -0.045 175.126 174.990 0.301 0.000 1.285 748 C CA -0.874 58.335 59.018 0.318 0.000 1.675 748 C CB 0.190 28.063 27.740 0.221 0.000 2.289 748 C HN 0.396 nan 8.230 nan 0.000 0.512 749 I N 3.118 123.924 120.570 0.394 0.000 2.412 749 I HA 0.484 4.668 4.170 0.024 0.000 0.296 749 I C 0.047 176.453 176.117 0.482 0.000 0.987 749 I CA -0.493 61.037 61.300 0.384 0.000 1.180 749 I CB 1.136 39.367 38.000 0.384 0.000 1.340 749 I HN 0.696 nan 8.210 nan 0.000 0.455 750 E N 4.919 125.349 120.200 0.383 0.000 2.256 750 E HA 0.597 4.962 4.350 0.024 0.000 0.268 750 E C -1.390 175.410 176.600 0.333 0.000 0.877 750 E CA -0.612 55.988 56.400 0.333 0.000 0.757 750 E CB 2.860 32.698 29.700 0.229 0.000 1.183 750 E HN 0.336 nan 8.360 nan 0.000 0.418 751 L N 3.181 124.608 121.223 0.341 0.000 2.446 751 L HA 0.633 4.987 4.340 0.024 0.000 0.268 751 L C 0.471 177.437 176.870 0.160 0.000 0.975 751 L CA 0.579 55.590 54.840 0.286 0.000 0.848 751 L CB 0.928 43.252 42.059 0.442 0.000 1.225 751 L HN 0.682 nan 8.230 nan 0.000 0.410 752 G N 4.690 113.553 108.800 0.104 0.000 2.602 752 G HA2 -0.420 3.554 3.960 0.024 0.000 0.310 752 G HA3 -0.420 3.554 3.960 0.024 0.000 0.310 752 G C 0.502 175.418 174.900 0.026 0.000 1.183 752 G CA 0.636 45.769 45.100 0.054 0.000 0.979 752 G HN 1.229 nan 8.290 nan 0.000 0.545 753 N N 1.191 119.890 118.700 -0.002 0.000 2.204 753 N HA 0.163 4.918 4.740 0.024 0.000 0.219 753 N C 0.220 175.689 175.510 -0.068 0.000 1.151 753 N CA 0.355 53.385 53.050 -0.032 0.000 0.867 753 N CB 0.396 38.860 38.487 -0.038 0.000 1.043 753 N HN 0.702 nan 8.380 nan 0.000 0.516 754 K N 0.796 121.138 120.400 -0.096 0.000 2.143 754 K HA 0.338 4.673 4.320 0.024 0.000 0.272 754 K C -0.440 175.960 176.600 -0.333 0.000 1.001 754 K CA -0.515 55.595 56.287 -0.296 0.000 0.915 754 K CB 1.895 34.124 32.500 -0.451 0.000 1.047 754 K HN 0.075 nan 8.250 nan 0.000 0.458 755 R N 2.482 122.732 120.500 -0.417 0.000 2.628 755 R HA 0.328 4.683 4.340 0.024 0.000 0.288 755 R C -1.559 174.559 176.300 -0.302 0.000 0.980 755 R CA -0.618 55.387 56.100 -0.158 0.000 0.891 755 R CB 1.232 31.580 30.300 0.081 0.000 1.188 755 R HN 0.601 nan 8.270 nan 0.000 0.450 756 W N 3.899 125.256 121.300 0.095 0.000 2.538 756 W HA 0.300 4.974 4.660 0.024 0.000 0.322 756 W C -0.649 175.886 176.519 0.026 0.000 1.028 756 W CA -0.611 56.720 57.345 -0.024 0.000 1.228 756 W CB 2.006 31.482 29.460 0.027 0.000 1.356 756 W HN 0.505 nan 8.180 nan 0.000 0.452 757 Q N 2.955 122.786 119.800 0.052 0.000 2.333 757 Q HA 0.422 4.776 4.340 0.024 0.000 0.265 757 Q C -1.680 174.244 176.000 -0.127 0.000 0.989 757 Q CA -0.443 55.419 55.803 0.099 0.000 0.842 757 Q CB 1.071 29.922 28.738 0.188 0.000 1.262 757 Q HN 0.304 nan 8.270 nan 0.000 0.451 758 F N 2.952 122.979 119.950 0.128 0.000 2.426 758 F HA 0.304 4.845 4.527 0.024 0.000 0.348 758 F C 0.536 176.391 175.800 0.092 0.000 1.124 758 F CA -0.928 57.129 58.000 0.095 0.000 1.008 758 F CB 1.176 40.241 39.000 0.108 0.000 1.139 758 F HN 0.497 nan 8.300 nan 0.000 0.452 759 N N 3.484 122.305 118.700 0.203 0.000 2.475 759 N HA 0.086 4.840 4.740 0.024 0.000 0.267 759 N C 0.907 176.471 175.510 0.090 0.000 1.169 759 N CA 0.106 53.228 53.050 0.120 0.000 0.947 759 N CB 0.788 39.347 38.487 0.119 0.000 1.061 759 N HN 0.682 nan 8.380 nan 0.000 0.466 760 R N 1.616 122.102 120.500 -0.024 0.000 2.236 760 R HA -0.038 4.317 4.340 0.024 0.000 0.208 760 R C 1.556 177.825 176.300 -0.052 0.000 1.036 760 R CA 0.447 56.493 56.100 -0.090 0.000 1.001 760 R CB 0.155 30.277 30.300 -0.297 0.000 0.896 760 R HN 0.618 nan 8.270 nan 0.000 0.464 761 Q N 0.784 120.570 119.800 -0.023 0.000 2.123 761 Q HA -0.064 4.290 4.340 0.024 0.000 0.196 761 Q C 1.852 177.854 176.000 0.003 0.000 0.958 761 Q CA 2.071 57.867 55.803 -0.012 0.000 0.841 761 Q CB 0.236 28.979 28.738 0.008 0.000 0.915 761 Q HN 0.305 nan 8.270 nan 0.000 0.455 762 S N -1.764 113.964 115.700 0.046 0.000 2.456 762 S HA 0.209 4.693 4.470 0.024 0.000 0.224 762 S C 1.405 175.956 174.600 -0.082 0.000 1.035 762 S CA 0.957 59.204 58.200 0.079 0.000 0.940 762 S CB 0.230 63.590 63.200 0.267 0.000 0.799 762 S HN 0.555 nan 8.310 nan 0.000 0.508 763 G N 0.511 109.290 108.800 -0.034 0.000 2.132 763 G HA2 -0.179 3.795 3.960 0.024 0.000 0.234 763 G HA3 -0.179 3.795 3.960 0.024 0.000 0.234 763 G C -0.215 174.666 174.900 -0.032 0.000 0.989 763 G CA 0.233 45.311 45.100 -0.037 0.000 0.676 763 G HN 0.473 nan 8.290 nan 0.000 0.522 764 F N -1.103 119.026 119.950 0.298 0.000 2.556 764 F HA 0.708 5.250 4.527 0.024 0.000 0.327 764 F C 0.396 176.225 175.800 0.050 0.000 1.059 764 F CA -1.749 56.373 58.000 0.203 0.000 0.953 764 F CB 1.361 40.435 39.000 0.123 0.000 1.227 764 F HN 0.011 nan 8.300 nan 0.000 0.478 765 L N 2.057 123.321 121.223 0.069 0.000 2.565 765 L HA 0.187 4.541 4.340 0.024 0.000 0.275 765 L C 1.053 177.810 176.870 -0.188 0.000 1.137 765 L CA 0.464 55.019 54.840 -0.476 0.000 0.915 765 L CB 0.011 41.724 42.059 -0.575 0.000 1.232 765 L HN 0.710 nan 8.230 nan 0.000 0.473 766 S N 2.632 118.236 115.700 -0.160 0.000 2.458 766 S HA 0.192 4.676 4.470 0.024 0.000 0.223 766 S C 0.641 175.125 174.600 -0.194 0.000 1.019 766 S CA 0.095 58.242 58.200 -0.089 0.000 0.937 766 S CB 0.041 63.241 63.200 -0.001 0.000 0.788 766 S HN 0.689 nan 8.310 nan 0.000 0.511 767 Q N -0.359 119.267 119.800 -0.290 0.000 2.527 767 Q HA 0.636 4.990 4.340 0.024 0.000 0.280 767 Q C -2.081 173.614 176.000 -0.509 0.000 0.977 767 Q CA -0.295 55.224 55.803 -0.474 0.000 0.837 767 Q CB 1.590 29.942 28.738 -0.644 0.000 1.454 767 Q HN 0.411 nan 8.270 nan 0.000 0.387 768 M N 1.684 120.884 119.600 -0.667 0.000 2.386 768 M HA 0.537 5.031 4.480 0.024 0.000 0.293 768 M C -1.487 174.437 176.300 -0.626 0.000 1.120 768 M CA -0.474 54.480 55.300 -0.575 0.000 0.909 768 M CB 2.119 34.369 32.600 -0.584 0.000 1.661 768 M HN 0.487 nan 8.290 nan 0.000 0.452 769 W N 3.844 124.918 121.300 -0.377 0.000 2.656 769 W HA 0.487 5.161 4.660 0.024 0.000 0.327 769 W C -1.118 175.207 176.519 -0.323 0.000 1.041 769 W CA -0.647 56.530 57.345 -0.281 0.000 1.229 769 W CB 1.879 31.214 29.460 -0.207 0.000 1.397 769 W HN 0.425 nan 8.180 nan 0.000 0.479 770 I N 4.412 124.973 120.570 -0.014 0.000 2.479 770 I HA 0.269 4.453 4.170 0.024 0.000 0.279 770 I C 0.985 177.097 176.117 -0.009 0.000 1.102 770 I CA 0.102 61.354 61.300 -0.079 0.000 1.196 770 I CB -0.148 37.786 38.000 -0.110 0.000 1.427 770 I HN 0.772 nan 8.210 nan 0.000 0.503 771 G N 5.968 114.764 108.800 -0.007 0.000 2.652 771 G HA2 -0.293 3.681 3.960 0.024 0.000 0.278 771 G HA3 -0.293 3.681 3.960 0.024 0.000 0.278 771 G C 0.568 175.476 174.900 0.013 0.000 1.263 771 G CA 0.451 45.541 45.100 -0.016 0.000 0.966 771 G HN 0.533 nan 8.290 nan 0.000 0.544 772 D N 0.955 121.375 120.400 0.033 0.000 2.379 772 D HA 0.199 4.853 4.640 0.024 0.000 0.208 772 D C 0.934 177.357 176.300 0.206 0.000 1.065 772 D CA 0.578 54.613 54.000 0.057 0.000 0.848 772 D CB 0.365 41.168 40.800 0.004 0.000 0.949 772 D HN 0.433 nan 8.370 nan 0.000 0.509 773 K N 2.000 122.506 120.400 0.177 0.000 2.258 773 K HA 0.203 4.537 4.320 0.024 0.000 0.284 773 K C -0.302 176.329 176.600 0.051 0.000 1.051 773 K CA -0.470 55.882 56.287 0.109 0.000 0.923 773 K CB 1.042 33.547 32.500 0.007 0.000 1.046 773 K HN -0.202 nan 8.250 nan 0.000 0.474 774 K N 2.869 123.217 120.400 -0.087 0.000 2.202 774 K HA 0.092 4.426 4.320 0.024 0.000 0.264 774 K C 0.567 176.972 176.600 -0.326 0.000 1.010 774 K CA -0.432 55.567 56.287 -0.480 0.000 0.940 774 K CB 0.774 33.060 32.500 -0.357 0.000 0.983 774 K HN 0.537 nan 8.250 nan 0.000 0.475 775 Q N 0.772 120.331 119.800 -0.401 0.000 2.316 775 Q HA 0.226 4.580 4.340 0.024 0.000 0.235 775 Q C -0.034 175.885 176.000 -0.134 0.000 0.863 775 Q CA 0.419 56.121 55.803 -0.169 0.000 0.939 775 Q CB 0.651 29.319 28.738 -0.117 0.000 1.108 775 Q HN 0.482 nan 8.270 nan 0.000 0.522 776 L N 0.482 121.553 121.223 -0.254 0.000 2.354 776 L HA 0.423 4.778 4.340 0.024 0.000 0.269 776 L C 0.839 177.577 176.870 -0.219 0.000 1.005 776 L CA -0.403 54.311 54.840 -0.210 0.000 0.819 776 L CB 1.872 43.801 42.059 -0.217 0.000 1.311 776 L HN -0.108 nan 8.230 nan 0.000 0.423 777 L N 0.182 121.273 121.223 -0.220 0.000 2.515 777 L HA 0.257 4.611 4.340 0.024 0.000 0.223 777 L C 0.064 176.824 176.870 -0.183 0.000 1.079 777 L CA 0.678 55.397 54.840 -0.202 0.000 0.857 777 L CB 0.627 42.542 42.059 -0.240 0.000 1.050 777 L HN 0.632 nan 8.230 nan 0.000 0.476 778 T N -0.295 114.130 114.554 -0.215 0.000 2.933 778 T HA 0.385 4.750 4.350 0.024 0.000 0.305 778 T C -2.572 172.059 174.700 -0.116 0.000 1.092 778 T CA -1.069 60.948 62.100 -0.138 0.000 1.008 778 T CB 2.604 71.391 68.868 -0.135 0.000 1.102 778 T HN -0.284 nan 8.240 nan 0.000 0.469 779 P HA 0.178 nan 4.420 nan 0.000 0.269 779 P C -0.760 176.497 177.300 -0.072 0.000 1.217 779 P CA -0.694 62.368 63.100 -0.063 0.000 0.783 779 P CB 0.429 32.122 31.700 -0.011 0.000 0.898 780 L N 3.462 124.672 121.223 -0.022 0.000 2.325 780 L HA 0.287 4.642 4.340 0.024 0.000 0.284 780 L C 0.017 176.845 176.870 -0.069 0.000 1.089 780 L CA 0.554 55.417 54.840 0.039 0.000 0.836 780 L CB -0.573 41.603 42.059 0.195 0.000 1.184 780 L HN 0.281 nan 8.230 nan 0.000 0.444 781 R N 2.346 122.722 120.500 -0.206 0.000 2.888 781 R HA 0.524 4.878 4.340 0.024 0.000 0.266 781 R C -0.995 175.177 176.300 -0.212 0.000 1.020 781 R CA -0.850 54.989 56.100 -0.436 0.000 0.963 781 R CB 0.939 30.784 30.300 -0.758 0.000 1.197 781 R HN 0.518 nan 8.270 nan 0.000 0.481 782 D N 0.800 121.113 120.400 -0.146 0.000 2.372 782 D HA 0.134 4.788 4.640 0.024 0.000 0.243 782 D C -0.588 175.247 176.300 -0.775 0.000 1.121 782 D CA 0.230 53.947 54.000 -0.472 0.000 0.898 782 D CB 0.673 41.065 40.800 -0.679 0.000 1.202 782 D HN 0.188 nan 8.370 nan 0.000 0.428 783 Q N 1.104 120.274 119.800 -1.051 0.000 2.305 783 Q HA 0.343 4.697 4.340 0.024 0.000 0.271 783 Q C -1.214 174.036 176.000 -1.250 0.000 1.046 783 Q CA -0.598 54.659 55.803 -0.911 0.000 0.798 783 Q CB 0.893 29.332 28.738 -0.497 0.000 1.286 783 Q HN 0.507 nan 8.270 nan 0.000 0.435 784 F N 0.342 119.874 119.950 -0.696 0.000 2.729 784 F HA 0.191 4.733 4.527 0.024 0.000 0.315 784 F C 0.505 175.862 175.800 -0.738 0.000 1.102 784 F CA -0.143 57.349 58.000 -0.848 0.000 1.204 784 F CB 1.383 39.545 39.000 -1.396 0.000 1.052 784 F HN 0.385 nan 8.300 nan 0.000 0.551 785 T N -0.704 113.552 114.554 -0.498 0.000 2.916 785 T HA 0.801 5.165 4.350 0.024 0.000 0.292 785 T C -0.555 173.924 174.700 -0.368 0.000 1.064 785 T CA -0.968 60.793 62.100 -0.565 0.000 1.011 785 T CB 2.842 71.340 68.868 -0.617 0.000 1.152 785 T HN 0.261 nan 8.240 nan 0.000 0.510 786 R N 0.022 120.353 120.500 -0.281 0.000 2.725 786 R HA 0.762 5.116 4.340 0.024 0.000 0.277 786 R C -0.762 175.594 176.300 0.093 0.000 0.987 786 R CA -1.193 54.855 56.100 -0.086 0.000 0.901 786 R CB 1.525 31.778 30.300 -0.079 0.000 1.207 786 R HN 0.840 nan 8.270 nan 0.000 0.463 787 A N 3.995 126.853 122.820 0.063 0.000 2.522 787 A HA 0.245 4.580 4.320 0.024 0.000 0.256 787 A C -1.892 175.762 177.584 0.117 0.000 1.086 787 A CA -1.161 50.913 52.037 0.060 0.000 0.763 787 A CB -0.445 18.534 19.000 -0.036 0.000 1.024 787 A HN 0.612 nan 8.150 nan 0.000 0.502 788 P HA 0.050 nan 4.420 nan 0.000 0.261 788 P C -0.295 177.134 177.300 0.215 0.000 1.183 788 P CA 0.522 63.791 63.100 0.280 0.000 0.761 788 P CB 0.355 32.246 31.700 0.319 0.000 0.785 789 L N 2.848 124.171 121.223 0.165 0.000 2.466 789 L HA 0.151 4.506 4.340 0.024 0.000 0.257 789 L C 1.915 178.850 176.870 0.108 0.000 1.189 789 L CA -0.441 54.440 54.840 0.069 0.000 0.813 789 L CB -0.043 41.986 42.059 -0.048 0.000 1.118 789 L HN 0.302 nan 8.230 nan 0.000 0.471 790 D N 0.308 120.739 120.400 0.051 0.000 2.182 790 D HA -0.147 4.508 4.640 0.024 0.000 0.201 790 D C 1.529 177.843 176.300 0.024 0.000 0.986 790 D CA 1.269 55.272 54.000 0.006 0.000 0.847 790 D CB 0.049 40.825 40.800 -0.040 0.000 0.942 790 D HN 0.476 nan 8.370 nan 0.000 0.467 791 N N 1.007 119.714 118.700 0.013 0.000 2.331 791 N HA -0.098 4.657 4.740 0.024 0.000 0.180 791 N C 1.172 176.718 175.510 0.061 0.000 1.019 791 N CA 0.651 53.714 53.050 0.021 0.000 0.881 791 N CB -0.111 38.372 38.487 -0.007 0.000 0.972 791 N HN 0.234 nan 8.380 nan 0.000 0.435 792 D N 0.615 121.070 120.400 0.091 0.000 2.183 792 D HA 0.029 4.684 4.640 0.024 0.000 0.203 792 D C 1.998 178.350 176.300 0.087 0.000 0.969 792 D CA 0.412 54.491 54.000 0.131 0.000 0.842 792 D CB 0.041 41.002 40.800 0.269 0.000 0.957 792 D HN 0.303 nan 8.370 nan 0.000 0.484 793 I N 0.602 121.217 120.570 0.074 0.000 2.439 793 I HA -0.033 4.151 4.170 0.024 0.000 0.251 793 I C 1.076 177.187 176.117 -0.010 0.000 1.139 793 I CA 0.492 61.809 61.300 0.029 0.000 1.438 793 I CB -0.444 37.555 38.000 -0.002 0.000 1.085 793 I HN -0.006 nan 8.210 nan 0.000 0.427 794 G N 2.819 111.621 108.800 0.004 0.000 2.325 794 G HA2 -0.131 3.844 3.960 0.024 0.000 0.274 794 G HA3 -0.131 3.844 3.960 0.024 0.000 0.274 794 G C -0.177 174.718 174.900 -0.008 0.000 0.921 794 G CA 0.513 45.614 45.100 0.003 0.000 1.340 794 G HN 0.463 nan 8.290 nan 0.000 0.447 795 V N -1.475 118.427 119.914 -0.020 0.000 2.752 795 V HA 0.805 4.940 4.120 0.024 0.000 0.302 795 V C 0.577 176.456 176.094 -0.359 0.000 1.133 795 V CA 0.050 62.267 62.300 -0.139 0.000 0.919 795 V CB 1.226 32.955 31.823 -0.156 0.000 1.026 795 V HN 1.136 nan 8.190 nan 0.000 0.429 796 S N 1.469 116.777 115.700 -0.655 0.000 2.535 796 S HA 0.348 4.832 4.470 0.024 0.000 0.214 796 S C 0.266 174.139 174.600 -1.212 0.000 0.980 796 S CA -0.044 57.153 58.200 -1.672 0.000 0.907 796 S CB -0.141 62.162 63.200 -1.495 0.000 0.790 796 S HN 0.868 nan 8.310 nan 0.000 0.510 797 E N 0.205 120.017 120.200 -0.647 0.000 2.256 797 E HA 0.590 4.955 4.350 0.024 0.000 0.268 797 E C 0.267 176.700 176.600 -0.280 0.000 0.877 797 E CA -0.356 55.784 56.400 -0.433 0.000 0.757 797 E CB 1.938 31.413 29.700 -0.375 0.000 1.183 797 E HN 0.172 nan 8.360 nan 0.000 0.418 798 A N 2.032 124.729 122.820 -0.205 0.000 1.978 798 A HA -0.190 4.145 4.320 0.024 0.000 0.220 798 A C 2.044 179.565 177.584 -0.104 0.000 1.170 798 A CA 2.360 54.323 52.037 -0.122 0.000 0.636 798 A CB -0.712 18.250 19.000 -0.063 0.000 0.810 798 A HN 0.678 nan 8.150 nan 0.000 0.448 799 T N -2.722 111.761 114.554 -0.119 0.000 3.067 799 T HA 0.135 4.499 4.350 0.024 0.000 0.261 799 T C 0.848 175.487 174.700 -0.102 0.000 1.110 799 T CA 0.005 62.048 62.100 -0.095 0.000 1.113 799 T CB -0.155 68.658 68.868 -0.091 0.000 0.917 799 T HN 0.414 nan 8.240 nan 0.000 0.499 800 R N 1.094 121.514 120.500 -0.133 0.000 2.204 800 R HA 0.526 4.881 4.340 0.024 0.000 0.341 800 R C -0.508 175.725 176.300 -0.113 0.000 1.035 800 R CA -0.642 55.381 56.100 -0.127 0.000 0.887 800 R CB 0.524 30.728 30.300 -0.161 0.000 1.114 800 R HN 0.222 nan 8.270 nan 0.000 0.473 801 I N 0.921 121.439 120.570 -0.086 0.000 3.080 801 I HA 0.109 4.294 4.170 0.024 0.000 0.213 801 I C 0.522 176.591 176.117 -0.080 0.000 1.298 801 I CA 0.265 61.521 61.300 -0.073 0.000 0.726 801 I CB 0.317 38.284 38.000 -0.055 0.000 1.751 801 I HN 0.466 nan 8.210 nan 0.000 0.957 802 D N -0.127 120.228 120.400 -0.075 0.000 2.219 802 D HA 0.099 4.753 4.640 0.024 0.000 0.191 802 D C -2.330 173.912 176.300 -0.097 0.000 1.272 802 D CA -0.792 53.156 54.000 -0.085 0.000 0.873 802 D CB 1.509 42.256 40.800 -0.089 0.000 1.730 802 D HN 0.188 nan 8.370 nan 0.000 0.519 803 P HA -0.051 nan 4.420 nan 0.000 0.230 803 P C 0.825 178.027 177.300 -0.163 0.000 1.158 803 P CA 0.542 63.576 63.100 -0.110 0.000 0.769 803 P CB 0.529 32.175 31.700 -0.090 0.000 0.807 804 N N 0.258 118.852 118.700 -0.176 0.000 2.424 804 N HA 0.053 4.807 4.740 0.024 0.000 0.178 804 N C 0.518 175.825 175.510 -0.339 0.000 1.060 804 N CA 0.032 52.933 53.050 -0.248 0.000 0.901 804 N CB -0.408 37.961 38.487 -0.197 0.000 0.979 804 N HN -0.034 nan 8.380 nan 0.000 0.451 805 A N -0.441 122.225 122.820 -0.257 0.000 2.483 805 A HA 0.069 4.403 4.320 0.024 0.000 0.238 805 A C 0.714 178.074 177.584 -0.374 0.000 1.070 805 A CA -0.312 51.571 52.037 -0.257 0.000 0.770 805 A CB -0.183 18.738 19.000 -0.133 0.000 1.008 805 A HN 0.540 nan 8.150 nan 0.000 0.497 806 W N 1.607 122.642 121.300 -0.442 0.000 2.321 806 W HA -0.184 4.491 4.660 0.024 0.000 0.306 806 W C 2.219 178.116 176.519 -1.038 0.000 1.217 806 W CA 1.741 58.547 57.345 -0.897 0.000 1.257 806 W CB -0.295 28.512 29.460 -1.089 0.000 1.145 806 W HN 0.570 nan 8.180 nan 0.000 0.509 807 V N 0.789 120.556 119.914 -0.245 0.000 2.407 807 V HA -0.255 3.879 4.120 0.024 0.000 0.248 807 V C 2.137 178.307 176.094 0.127 0.000 1.055 807 V CA 2.110 64.499 62.300 0.149 0.000 1.049 807 V CB -0.332 31.623 31.823 0.220 0.000 0.662 807 V HN 0.063 nan 8.190 nan 0.000 0.455 808 E N 0.017 120.199 120.200 -0.031 0.000 2.150 808 E HA -0.164 4.201 4.350 0.024 0.000 0.193 808 E C 2.339 178.901 176.600 -0.063 0.000 0.985 808 E CA 1.073 57.456 56.400 -0.030 0.000 0.814 808 E CB -0.296 29.358 29.700 -0.077 0.000 0.752 808 E HN 0.627 nan 8.360 nan 0.000 0.466 809 R N -0.226 120.162 120.500 -0.187 0.000 2.075 809 R HA -0.096 4.259 4.340 0.024 0.000 0.232 809 R C 2.312 178.545 176.300 -0.112 0.000 1.126 809 R CA 1.224 57.192 56.100 -0.219 0.000 0.963 809 R CB -0.186 29.875 30.300 -0.399 0.000 0.858 809 R HN 0.238 nan 8.270 nan 0.000 0.435 810 W N 1.574 122.825 121.300 -0.082 0.000 2.358 810 W HA -0.084 4.590 4.660 0.024 0.000 0.303 810 W C 1.903 178.366 176.519 -0.095 0.000 1.208 810 W CA 0.768 57.959 57.345 -0.258 0.000 1.274 810 W CB -0.616 28.825 29.460 -0.033 0.000 1.138 810 W HN 0.114 nan 8.180 nan 0.000 0.515 811 K N 0.121 120.736 120.400 0.358 0.000 2.026 811 K HA -0.070 4.265 4.320 0.024 0.000 0.208 811 K C 2.300 178.956 176.600 0.094 0.000 1.048 811 K CA 1.709 58.177 56.287 0.302 0.000 0.929 811 K CB -0.596 32.042 32.500 0.230 0.000 0.713 811 K HN -0.028 nan 8.250 nan 0.000 0.439 812 A N 1.205 124.040 122.820 0.025 0.000 1.969 812 A HA -0.056 4.278 4.320 0.024 0.000 0.218 812 A C 2.198 179.721 177.584 -0.103 0.000 1.169 812 A CA 1.690 53.710 52.037 -0.029 0.000 0.635 812 A CB -0.495 18.483 19.000 -0.036 0.000 0.810 812 A HN 0.329 nan 8.150 nan 0.000 0.445 813 A N -1.803 120.939 122.820 -0.130 0.000 2.208 813 A HA 0.406 4.741 4.320 0.024 0.000 0.209 813 A C 1.756 179.184 177.584 -0.260 0.000 1.161 813 A CA 1.187 53.136 52.037 -0.148 0.000 0.782 813 A CB -0.854 18.053 19.000 -0.154 0.000 0.816 813 A HN 1.863 nan 8.150 nan 0.000 0.477 814 G N -1.417 107.173 108.800 -0.350 0.000 2.137 814 G HA2 -0.294 3.680 3.960 0.024 0.000 0.237 814 G HA3 -0.294 3.680 3.960 0.024 0.000 0.237 814 G C 0.549 175.515 174.900 0.112 0.000 1.002 814 G CA 0.645 45.477 45.100 -0.447 0.000 0.702 814 G HN 0.747 nan 8.290 nan 0.000 0.515 815 H N -1.572 117.502 119.070 0.007 0.000 2.387 815 H HA -0.078 4.492 4.556 0.024 0.000 0.299 815 H C 2.098 177.406 175.328 -0.034 0.000 1.090 815 H CA 1.601 57.652 56.048 0.004 0.000 1.332 815 H CB 0.119 29.803 29.762 -0.130 0.000 1.386 815 H HN 0.590 nan 8.280 nan 0.000 0.516 816 Y N 0.349 120.796 120.300 0.244 0.000 2.544 816 Y HA -0.054 4.510 4.550 0.024 0.000 0.286 816 Y C 1.811 177.815 175.900 0.173 0.000 1.141 816 Y CA 0.344 58.542 58.100 0.165 0.000 1.299 816 Y CB 0.428 38.967 38.460 0.131 0.000 1.030 816 Y HN 0.198 nan 8.280 nan 0.000 0.543 817 Q N -0.332 119.667 119.800 0.332 0.000 2.246 817 Q HA 0.335 4.689 4.340 0.024 0.000 0.222 817 Q C 0.772 176.974 176.000 0.337 0.000 0.851 817 Q CA 0.152 56.142 55.803 0.312 0.000 0.945 817 Q CB 0.162 29.098 28.738 0.331 0.000 1.122 817 Q HN 0.259 nan 8.270 nan 0.000 0.508 818 A N 2.093 125.134 122.820 0.367 0.000 2.584 818 A HA 0.010 4.345 4.320 0.024 0.000 0.239 818 A C -0.094 177.781 177.584 0.484 0.000 1.043 818 A CA 0.499 52.806 52.037 0.450 0.000 0.756 818 A CB 0.019 19.347 19.000 0.546 0.000 0.963 818 A HN 0.137 nan 8.150 nan 0.000 0.511 819 E N 1.326 121.739 120.200 0.355 0.000 2.171 819 E HA 0.502 4.867 4.350 0.024 0.000 0.271 819 E C -0.085 176.524 176.600 0.015 0.000 0.916 819 E CA -0.615 55.920 56.400 0.225 0.000 0.774 819 E CB 1.818 31.605 29.700 0.146 0.000 1.128 819 E HN 0.804 nan 8.360 nan 0.000 0.403 820 A N 2.316 125.057 122.820 -0.132 0.000 2.440 820 A HA 0.518 4.852 4.320 0.024 0.000 0.251 820 A C -0.231 177.224 177.584 -0.215 0.000 1.089 820 A CA -0.163 51.530 52.037 -0.574 0.000 0.779 820 A CB 0.387 19.201 19.000 -0.310 0.000 1.022 820 A HN 0.603 nan 8.150 nan 0.000 0.492 821 A N 2.714 125.380 122.820 -0.257 0.000 2.311 821 A HA 0.560 4.895 4.320 0.024 0.000 0.306 821 A C -0.517 176.954 177.584 -0.190 0.000 1.189 821 A CA -0.561 51.395 52.037 -0.134 0.000 0.791 821 A CB 0.489 19.434 19.000 -0.092 0.000 1.172 821 A HN 1.250 nan 8.150 nan 0.000 0.481 822 L N 3.321 124.410 121.223 -0.224 0.000 2.477 822 L HA 0.265 4.620 4.340 0.024 0.000 0.272 822 L C 0.455 177.159 176.870 -0.278 0.000 1.157 822 L CA 0.424 55.001 54.840 -0.437 0.000 0.889 822 L CB 0.157 42.006 42.059 -0.350 0.000 1.158 822 L HN 0.770 nan 8.230 nan 0.000 0.473 823 L N 3.593 124.644 121.223 -0.287 0.000 2.470 823 L HA 0.314 4.668 4.340 0.024 0.000 0.219 823 L C 0.456 177.254 176.870 -0.120 0.000 1.071 823 L CA 0.058 54.811 54.840 -0.145 0.000 0.850 823 L CB 0.047 42.055 42.059 -0.085 0.000 1.040 823 L HN 0.759 nan 8.230 nan 0.000 0.475 824 Q N -0.525 119.178 119.800 -0.162 0.000 2.545 824 Q HA 0.319 4.674 4.340 0.024 0.000 0.273 824 Q C -2.087 173.860 176.000 -0.087 0.000 0.975 824 Q CA -0.585 55.164 55.803 -0.090 0.000 0.876 824 Q CB 2.829 31.540 28.738 -0.045 0.000 1.472 824 Q HN 0.026 nan 8.270 nan 0.000 0.389 825 C N 3.100 122.395 119.300 -0.009 0.000 2.887 825 C HA 0.772 5.247 4.460 0.024 0.000 0.379 825 C C -0.946 174.142 174.990 0.164 0.000 1.064 825 C CA 0.538 59.600 59.018 0.073 0.000 1.282 825 C CB 0.557 28.357 27.740 0.100 0.000 1.749 825 C HN 0.829 nan 8.230 nan 0.000 0.489 826 T N 2.373 116.939 114.554 0.020 0.000 2.901 826 T HA 0.918 5.282 4.350 0.024 0.000 0.293 826 T C -0.561 173.831 174.700 -0.514 0.000 1.084 826 T CA -0.306 61.725 62.100 -0.115 0.000 1.008 826 T CB 1.968 70.787 68.868 -0.081 0.000 1.170 826 T HN 1.733 nan 8.240 nan 0.000 0.509 827 A N 1.354 123.726 122.820 -0.747 0.000 2.398 827 A HA 0.777 5.111 4.320 0.024 0.000 0.301 827 A C -1.494 175.833 177.584 -0.429 0.000 1.041 827 A CA -0.744 50.787 52.037 -0.843 0.000 0.711 827 A CB 1.268 19.328 19.000 -1.567 0.000 1.240 827 A HN 0.872 nan 8.150 nan 0.000 0.420 828 D N 0.335 120.549 120.400 -0.310 0.000 2.671 828 D HA 0.620 5.274 4.640 0.024 0.000 0.232 828 D C -0.770 175.432 176.300 -0.164 0.000 1.114 828 D CA -0.036 53.850 54.000 -0.191 0.000 0.858 828 D CB 1.965 42.681 40.800 -0.140 0.000 1.544 828 D HN 0.355 nan 8.370 nan 0.000 0.471 829 T N 1.561 116.044 114.554 -0.119 0.000 2.767 829 T HA 0.535 4.900 4.350 0.024 0.000 0.284 829 T C 0.008 174.667 174.700 -0.068 0.000 0.973 829 T CA -0.552 61.491 62.100 -0.095 0.000 0.996 829 T CB 0.432 69.254 68.868 -0.078 0.000 0.927 829 T HN 0.104 nan 8.240 nan 0.000 0.456 830 L N 1.413 122.599 121.223 -0.061 0.000 2.347 830 L HA 0.606 4.960 4.340 0.024 0.000 0.268 830 L C 1.903 178.757 176.870 -0.028 0.000 1.019 830 L CA -1.203 53.610 54.840 -0.044 0.000 0.806 830 L CB 0.479 42.510 42.059 -0.047 0.000 1.339 830 L HN 0.705 nan 8.230 nan 0.000 0.463 831 A N 0.355 123.163 122.820 -0.020 0.000 1.978 831 A HA -0.153 4.181 4.320 0.024 0.000 0.220 831 A C 0.998 178.578 177.584 -0.006 0.000 1.170 831 A CA 2.015 54.045 52.037 -0.010 0.000 0.636 831 A CB -0.447 18.547 19.000 -0.010 0.000 0.810 831 A HN 0.892 nan 8.150 nan 0.000 0.448 832 D N -2.882 117.511 120.400 -0.013 0.000 2.692 832 D HA 0.535 5.189 4.640 0.024 0.000 0.290 832 D C -0.146 176.143 176.300 -0.017 0.000 1.455 832 D CA 0.670 54.665 54.000 -0.008 0.000 0.796 832 D CB -0.263 40.530 40.800 -0.011 0.000 1.131 832 D HN 0.544 nan 8.370 nan 0.000 0.467 833 A N -0.624 122.178 122.820 -0.031 0.000 2.522 833 A HA 0.532 4.866 4.320 0.024 0.000 0.291 833 A C -1.896 175.642 177.584 -0.076 0.000 1.039 833 A CA -0.684 51.320 52.037 -0.055 0.000 0.643 833 A CB 1.211 20.173 19.000 -0.064 0.000 1.310 833 A HN 0.028 nan 8.150 nan 0.000 0.436 834 V N 0.813 120.661 119.914 -0.109 0.000 2.459 834 V HA 0.617 4.751 4.120 0.024 0.000 0.295 834 V C -0.774 175.220 176.094 -0.167 0.000 1.029 834 V CA -0.454 61.762 62.300 -0.140 0.000 0.874 834 V CB 1.339 33.075 31.823 -0.144 0.000 0.985 834 V HN 0.854 nan 8.190 nan 0.000 0.438 835 L N 6.643 127.758 121.223 -0.180 0.000 2.305 835 L HA 0.619 4.974 4.340 0.024 0.000 0.284 835 L C -0.710 176.005 176.870 -0.259 0.000 1.013 835 L CA 0.032 54.767 54.840 -0.175 0.000 0.819 835 L CB 1.178 43.161 42.059 -0.126 0.000 1.227 835 L HN 0.400 nan 8.230 nan 0.000 0.417 836 I N 4.380 124.791 120.570 -0.266 0.000 2.362 836 I HA 0.401 4.586 4.170 0.024 0.000 0.289 836 I C -0.112 175.940 176.117 -0.108 0.000 0.994 836 I CA -0.239 60.839 61.300 -0.370 0.000 1.158 836 I CB 1.449 38.960 38.000 -0.814 0.000 1.315 836 I HN 0.547 nan 8.210 nan 0.000 0.451 837 T N 4.861 119.348 114.554 -0.111 0.000 2.807 837 T HA 0.676 5.040 4.350 0.024 0.000 0.279 837 T C 0.190 174.913 174.700 0.039 0.000 0.993 837 T CA -0.556 61.538 62.100 -0.010 0.000 0.970 837 T CB 1.887 70.731 68.868 -0.040 0.000 0.950 837 T HN 0.769 nan 8.240 nan 0.000 0.441 838 T N -0.690 113.935 114.554 0.117 0.000 2.883 838 T HA 0.856 5.220 4.350 0.024 0.000 0.301 838 T C -1.324 173.450 174.700 0.123 0.000 1.158 838 T CA -1.051 61.120 62.100 0.119 0.000 1.007 838 T CB 1.989 71.019 68.868 0.269 0.000 1.186 838 T HN 0.812 nan 8.240 nan 0.000 0.499 839 A N 1.559 124.383 122.820 0.007 0.000 2.427 839 A HA 0.770 5.104 4.320 0.024 0.000 0.298 839 A C -1.454 176.054 177.584 -0.126 0.000 1.036 839 A CA -0.756 51.316 52.037 0.058 0.000 0.701 839 A CB 0.907 19.924 19.000 0.029 0.000 1.250 839 A HN 0.994 nan 8.150 nan 0.000 0.412 840 H N 0.142 119.251 119.070 0.065 0.000 2.821 840 H HA 0.783 5.354 4.556 0.024 0.000 0.373 840 H C -0.086 175.239 175.328 -0.005 0.000 1.165 840 H CA 0.269 56.256 56.048 -0.101 0.000 1.154 840 H CB 2.158 31.717 29.762 -0.338 0.000 1.765 840 H HN 0.973 nan 8.280 nan 0.000 0.549 841 A N 2.028 124.838 122.820 -0.017 0.000 2.330 841 A HA 0.375 4.709 4.320 0.024 0.000 0.313 841 A C -1.327 176.260 177.584 0.006 0.000 1.124 841 A CA -0.697 51.398 52.037 0.098 0.000 0.774 841 A CB 0.939 19.971 19.000 0.053 0.000 1.198 841 A HN 0.569 nan 8.150 nan 0.000 0.465 842 W N 2.340 123.761 121.300 0.201 0.000 2.335 842 W HA 0.432 5.106 4.660 0.024 0.000 0.307 842 W C -0.263 176.295 176.519 0.065 0.000 1.117 842 W CA -0.036 57.431 57.345 0.204 0.000 1.228 842 W CB 1.529 31.199 29.460 0.349 0.000 1.240 842 W HN 0.761 nan 8.180 nan 0.000 0.468 843 Q N 1.352 121.282 119.800 0.217 0.000 2.484 843 Q HA 0.354 4.708 4.340 0.024 0.000 0.285 843 Q C -0.832 175.290 176.000 0.203 0.000 1.097 843 Q CA -0.881 55.008 55.803 0.143 0.000 0.802 843 Q CB 3.515 32.300 28.738 0.078 0.000 1.444 843 Q HN 0.357 nan 8.270 nan 0.000 0.429 844 H N 1.613 120.724 119.070 0.067 0.000 3.013 844 H HA 0.124 4.694 4.556 0.024 0.000 0.326 844 H C -0.977 174.386 175.328 0.058 0.000 0.973 844 H CA -0.154 55.943 56.048 0.082 0.000 1.369 844 H CB 0.907 30.728 29.762 0.098 0.000 1.598 844 H HN 0.817 nan 8.280 nan 0.000 0.518 845 Q N 3.550 123.163 119.800 -0.311 0.000 2.439 845 Q HA -0.255 4.099 4.340 0.024 0.000 0.325 845 Q C 1.003 176.957 176.000 -0.076 0.000 1.372 845 Q CA 1.105 56.769 55.803 -0.233 0.000 0.909 845 Q CB -1.371 27.149 28.738 -0.363 0.000 1.167 845 Q HN 1.201 nan 8.270 nan 0.000 0.418 846 G N -0.735 108.047 108.800 -0.029 0.000 2.268 846 G HA2 -0.364 3.610 3.960 0.024 0.000 0.240 846 G HA3 -0.364 3.610 3.960 0.024 0.000 0.240 846 G C 0.100 175.011 174.900 0.019 0.000 1.010 846 G CA 0.323 45.422 45.100 -0.001 0.000 0.618 846 G HN 0.333 nan 8.290 nan 0.000 0.516 847 K N 2.168 122.592 120.400 0.039 0.000 2.227 847 K HA 0.615 4.950 4.320 0.024 0.000 0.280 847 K C 0.058 176.678 176.600 0.033 0.000 1.041 847 K CA 0.017 56.330 56.287 0.044 0.000 0.905 847 K CB 0.695 33.238 32.500 0.071 0.000 1.068 847 K HN 0.038 nan 8.250 nan 0.000 0.470 848 T N 6.460 121.020 114.554 0.009 0.000 2.737 848 T HA 0.189 4.554 4.350 0.024 0.000 0.296 848 T C 1.178 175.817 174.700 -0.102 0.000 0.922 848 T CA -0.330 61.767 62.100 -0.005 0.000 1.079 848 T CB 0.287 69.167 68.868 0.020 0.000 0.892 848 T HN 0.523 nan 8.240 nan 0.000 0.514 849 L N 2.528 123.604 121.223 -0.245 0.000 2.084 849 L HA 0.296 4.651 4.340 0.024 0.000 0.202 849 L C -0.066 176.261 176.870 -0.904 0.000 1.074 849 L CA 0.931 55.328 54.840 -0.738 0.000 0.757 849 L CB -0.028 41.277 42.059 -1.257 0.000 0.918 849 L HN 0.522 nan 8.230 nan 0.000 0.444 850 F N -1.391 118.504 119.950 -0.091 0.000 2.626 850 F HA 0.603 5.145 4.527 0.024 0.000 0.311 850 F C -0.517 175.379 175.800 0.159 0.000 1.088 850 F CA -0.924 56.989 58.000 -0.145 0.000 0.949 850 F CB 1.565 40.114 39.000 -0.752 0.000 1.322 850 F HN -0.313 nan 8.300 nan 0.000 0.461 851 I N 1.374 122.176 120.570 0.387 0.000 2.466 851 I HA 0.416 4.601 4.170 0.024 0.000 0.289 851 I C -0.846 175.547 176.117 0.460 0.000 1.026 851 I CA -0.577 60.968 61.300 0.407 0.000 1.078 851 I CB 2.223 40.370 38.000 0.246 0.000 1.249 851 I HN 0.610 nan 8.210 nan 0.000 0.429 852 S N 6.762 122.824 115.700 0.602 0.000 2.498 852 S HA 0.564 5.049 4.470 0.024 0.000 0.317 852 S C -0.698 174.147 174.600 0.409 0.000 1.090 852 S CA -0.691 57.840 58.200 0.552 0.000 1.089 852 S CB 0.716 64.394 63.200 0.796 0.000 0.997 852 S HN 0.547 nan 8.310 nan 0.000 0.470 853 R N 3.626 124.290 120.500 0.274 0.000 2.343 853 R HA 0.538 4.892 4.340 0.024 0.000 0.320 853 R C -0.689 175.688 176.300 0.129 0.000 0.956 853 R CA -0.726 55.489 56.100 0.191 0.000 0.836 853 R CB 1.749 32.132 30.300 0.139 0.000 1.151 853 R HN 0.550 nan 8.270 nan 0.000 0.450 854 K N 0.807 121.273 120.400 0.109 0.000 2.444 854 K HA 0.509 4.843 4.320 0.024 0.000 0.252 854 K C -0.761 175.798 176.600 -0.068 0.000 0.993 854 K CA -0.931 55.335 56.287 -0.036 0.000 0.847 854 K CB 2.552 34.996 32.500 -0.094 0.000 1.340 854 K HN 0.619 nan 8.250 nan 0.000 0.446 855 T N -1.268 113.154 114.554 -0.220 0.000 2.991 855 T HA 0.471 4.835 4.350 0.024 0.000 0.303 855 T C -1.418 173.134 174.700 -0.247 0.000 1.015 855 T CA -0.786 61.235 62.100 -0.131 0.000 1.007 855 T CB 0.269 69.096 68.868 -0.069 0.000 1.034 855 T HN 0.381 nan 8.240 nan 0.000 0.446 856 Y N 1.535 121.793 120.300 -0.070 0.000 2.328 856 Y HA 0.644 5.208 4.550 0.024 0.000 0.337 856 Y C 0.611 176.434 175.900 -0.128 0.000 0.966 856 Y CA -1.156 56.918 58.100 -0.044 0.000 1.136 856 Y CB 1.712 40.186 38.460 0.024 0.000 1.170 856 Y HN 0.668 nan 8.280 nan 0.000 0.470 857 R N 3.942 124.456 120.500 0.022 0.000 2.320 857 R HA 0.597 4.951 4.340 0.024 0.000 0.319 857 R C -1.784 174.452 176.300 -0.107 0.000 0.969 857 R CA -0.700 55.366 56.100 -0.055 0.000 0.857 857 R CB 0.387 30.662 30.300 -0.041 0.000 1.160 857 R HN 0.668 nan 8.270 nan 0.000 0.491 858 I N 4.877 125.324 120.570 -0.206 0.000 2.321 858 I HA 0.179 4.364 4.170 0.024 0.000 0.291 858 I C -0.107 175.879 176.117 -0.217 0.000 0.998 858 I CA -0.391 60.697 61.300 -0.353 0.000 1.227 858 I CB 1.387 38.954 38.000 -0.722 0.000 1.368 858 I HN 0.621 nan 8.210 nan 0.000 0.466 859 D N 3.643 123.958 120.400 -0.143 0.000 2.487 859 D HA 0.369 5.023 4.640 0.024 0.000 0.262 859 D C 1.328 177.617 176.300 -0.019 0.000 1.130 859 D CA -0.746 53.217 54.000 -0.062 0.000 1.038 859 D CB 0.433 41.217 40.800 -0.027 0.000 1.142 859 D HN 0.455 nan 8.370 nan 0.000 0.575 860 G N -1.310 107.499 108.800 0.016 0.000 2.509 860 G HA2 -0.168 3.806 3.960 0.024 0.000 0.218 860 G HA3 -0.168 3.806 3.960 0.024 0.000 0.218 860 G C 1.081 176.028 174.900 0.078 0.000 1.124 860 G CA 0.895 46.029 45.100 0.056 0.000 0.776 860 G HN 0.526 nan 8.290 nan 0.000 0.547 861 S N -0.782 114.956 115.700 0.063 0.000 2.593 861 S HA 0.373 4.858 4.470 0.024 0.000 0.217 861 S C 1.783 176.450 174.600 0.111 0.000 0.966 861 S CA 0.801 59.049 58.200 0.079 0.000 0.914 861 S CB -0.010 63.226 63.200 0.061 0.000 0.776 861 S HN 1.383 nan 8.310 nan 0.000 0.523 862 G N 0.645 109.526 108.800 0.135 0.000 2.148 862 G HA2 -0.263 3.711 3.960 0.024 0.000 0.254 862 G HA3 -0.263 3.711 3.960 0.024 0.000 0.254 862 G C -0.212 174.811 174.900 0.205 0.000 0.981 862 G CA 0.126 45.377 45.100 0.253 0.000 0.670 862 G HN 0.610 nan 8.290 nan 0.000 0.528 863 Q N -0.522 119.328 119.800 0.083 0.000 2.256 863 Q HA 0.623 4.977 4.340 0.024 0.000 0.254 863 Q C 0.293 176.285 176.000 -0.013 0.000 0.916 863 Q CA -0.306 55.545 55.803 0.080 0.000 0.932 863 Q CB 1.421 30.205 28.738 0.077 0.000 1.207 863 Q HN 0.448 nan 8.270 nan 0.000 0.426 864 M N 2.438 122.064 119.600 0.043 0.000 2.047 864 M HA 0.491 4.985 4.480 0.024 0.000 0.342 864 M C -1.269 175.105 176.300 0.123 0.000 1.058 864 M CA -0.498 54.798 55.300 -0.007 0.000 0.991 864 M CB 0.769 33.357 32.600 -0.021 0.000 1.474 864 M HN 0.678 nan 8.290 nan 0.000 0.419 865 A N 6.954 129.816 122.820 0.070 0.000 2.309 865 A HA 0.629 4.963 4.320 0.024 0.000 0.290 865 A C -0.674 176.939 177.584 0.049 0.000 1.206 865 A CA -0.536 51.548 52.037 0.077 0.000 0.850 865 A CB -0.013 19.013 19.000 0.044 0.000 1.118 865 A HN 0.925 nan 8.150 nan 0.000 0.523 866 I N 2.559 123.152 120.570 0.038 0.000 2.362 866 I HA 0.303 4.487 4.170 0.024 0.000 0.289 866 I C -0.081 175.932 176.117 -0.173 0.000 0.994 866 I CA -0.174 61.055 61.300 -0.118 0.000 1.158 866 I CB 2.037 40.004 38.000 -0.055 0.000 1.315 866 I HN 0.490 nan 8.210 nan 0.000 0.451 867 T N 5.829 120.246 114.554 -0.229 0.000 2.797 867 T HA 0.560 4.925 4.350 0.024 0.000 0.279 867 T C -0.326 174.205 174.700 -0.280 0.000 0.991 867 T CA -0.469 61.514 62.100 -0.195 0.000 0.979 867 T CB 1.833 70.679 68.868 -0.036 0.000 0.943 867 T HN 0.217 nan 8.240 nan 0.000 0.444 868 V N 3.488 123.144 119.914 -0.430 0.000 2.525 868 V HA 0.452 4.586 4.120 0.024 0.000 0.299 868 V C -0.973 175.022 176.094 -0.164 0.000 1.034 868 V CA -0.956 61.108 62.300 -0.394 0.000 0.863 868 V CB 2.008 33.339 31.823 -0.820 0.000 0.999 868 V HN 0.885 nan 8.190 nan 0.000 0.423 869 D N 3.136 123.581 120.400 0.074 0.000 2.492 869 D HA 0.650 5.304 4.640 0.024 0.000 0.248 869 D C -0.837 175.605 176.300 0.237 0.000 1.101 869 D CA -0.228 53.898 54.000 0.210 0.000 0.840 869 D CB 2.414 43.339 40.800 0.208 0.000 1.209 869 D HN 0.317 nan 8.370 nan 0.000 0.524 870 V N 2.247 122.338 119.914 0.295 0.000 2.555 870 V HA 0.374 4.508 4.120 0.024 0.000 0.302 870 V C -0.143 176.117 176.094 0.277 0.000 1.038 870 V CA -0.800 61.688 62.300 0.313 0.000 0.887 870 V CB 1.987 34.028 31.823 0.363 0.000 0.991 870 V HN 0.462 nan 8.190 nan 0.000 0.434 871 E N 2.449 122.798 120.200 0.248 0.000 2.166 871 E HA 0.615 4.980 4.350 0.024 0.000 0.275 871 E C -1.470 175.260 176.600 0.216 0.000 0.941 871 E CA -0.558 55.963 56.400 0.202 0.000 0.784 871 E CB 2.460 32.256 29.700 0.159 0.000 1.115 871 E HN 0.426 nan 8.360 nan 0.000 0.399 872 V N 2.392 122.431 119.914 0.209 0.000 2.407 872 V HA 0.338 4.473 4.120 0.024 0.000 0.291 872 V C 0.079 176.254 176.094 0.136 0.000 1.018 872 V CA -0.940 61.490 62.300 0.217 0.000 0.842 872 V CB 1.399 33.397 31.823 0.292 0.000 0.996 872 V HN 0.829 nan 8.190 nan 0.000 0.426 873 A N 3.688 126.536 122.820 0.047 0.000 2.566 873 A HA 0.250 4.585 4.320 0.024 0.000 0.245 873 A C 1.654 179.290 177.584 0.087 0.000 1.056 873 A CA 0.628 52.688 52.037 0.037 0.000 0.757 873 A CB 0.195 19.181 19.000 -0.024 0.000 0.979 873 A HN 1.348 nan 8.150 nan 0.000 0.508 874 S N 1.531 117.287 115.700 0.093 0.000 2.419 874 S HA -0.183 4.301 4.470 0.024 0.000 0.235 874 S C 0.958 175.621 174.600 0.105 0.000 1.019 874 S CA 1.379 59.652 58.200 0.121 0.000 0.982 874 S CB -0.321 62.934 63.200 0.092 0.000 0.789 874 S HN 0.842 nan 8.310 nan 0.000 0.490 875 D N 0.330 120.767 120.400 0.062 0.000 2.339 875 D HA 0.122 4.776 4.640 0.024 0.000 0.217 875 D C 0.464 176.780 176.300 0.027 0.000 1.050 875 D CA 0.085 54.106 54.000 0.035 0.000 0.856 875 D CB -0.399 40.413 40.800 0.020 0.000 0.922 875 D HN 0.318 nan 8.370 nan 0.000 0.518 876 T N 1.764 116.353 114.554 0.059 0.000 2.907 876 T HA 0.375 4.739 4.350 0.024 0.000 0.284 876 T C -2.616 172.166 174.700 0.138 0.000 1.004 876 T CA -1.951 60.204 62.100 0.090 0.000 1.063 876 T CB 1.394 70.318 68.868 0.093 0.000 0.992 876 T HN -0.101 nan 8.240 nan 0.000 0.483 877 P HA 0.076 nan 4.420 nan 0.000 0.265 877 P C -0.633 176.968 177.300 0.500 0.000 1.193 877 P CA -0.051 63.145 63.100 0.161 0.000 0.765 877 P CB 0.044 31.803 31.700 0.097 0.000 0.823 878 H N 3.765 123.194 119.070 0.599 0.000 3.125 878 H HA 0.030 4.601 4.556 0.024 0.000 0.310 878 H C -1.458 174.204 175.328 0.556 0.000 0.980 878 H CA -1.148 55.191 56.048 0.484 0.000 1.422 878 H CB -0.505 29.486 29.762 0.381 0.000 1.432 878 H HN 0.386 nan 8.280 nan 0.000 0.577 879 P HA -0.025 nan 4.420 nan 0.000 0.272 879 P C 0.147 177.335 177.300 -0.186 0.000 1.223 879 P CA -0.196 62.956 63.100 0.087 0.000 0.784 879 P CB 1.134 32.777 31.700 -0.095 0.000 0.923 880 A N 3.633 126.072 122.820 -0.635 0.000 2.015 880 A HA -0.097 4.238 4.320 0.024 0.000 0.219 880 A C 1.096 178.291 177.584 -0.648 0.000 1.163 880 A CA 1.287 52.923 52.037 -0.669 0.000 0.646 880 A CB -0.523 17.841 19.000 -1.060 0.000 0.806 880 A HN 0.767 nan 8.150 nan 0.000 0.448 881 R N -2.893 117.260 120.500 -0.578 0.000 2.712 881 R HA 0.726 5.080 4.340 0.024 0.000 0.272 881 R C -1.623 174.419 176.300 -0.429 0.000 1.032 881 R CA -0.770 55.009 56.100 -0.535 0.000 0.874 881 R CB 0.769 30.714 30.300 -0.591 0.000 1.256 881 R HN -0.017 nan 8.270 nan 0.000 0.468 882 I N 1.305 121.651 120.570 -0.374 0.000 2.542 882 I HA 0.632 4.816 4.170 0.024 0.000 0.278 882 I C -0.460 175.394 176.117 -0.438 0.000 1.069 882 I CA -0.361 60.724 61.300 -0.358 0.000 1.100 882 I CB 1.721 39.569 38.000 -0.254 0.000 1.204 882 I HN 0.981 nan 8.210 nan 0.000 0.470 883 G N 5.725 114.210 108.800 -0.524 0.000 2.664 883 G HA2 0.760 4.734 3.960 0.024 0.000 0.303 883 G HA3 0.760 4.734 3.960 0.024 0.000 0.303 883 G C -1.630 173.075 174.900 -0.325 0.000 1.243 883 G CA -0.553 44.285 45.100 -0.436 0.000 0.826 883 G HN 0.246 nan 8.290 nan 0.000 0.498 884 L N 0.111 121.202 121.223 -0.219 0.000 2.333 884 L HA 0.657 5.011 4.340 0.024 0.000 0.263 884 L C -0.410 176.350 176.870 -0.183 0.000 1.014 884 L CA -0.987 53.756 54.840 -0.162 0.000 0.820 884 L CB 2.619 44.673 42.059 -0.007 0.000 1.352 884 L HN 0.961 nan 8.230 nan 0.000 0.421 885 N N -0.142 118.481 118.700 -0.129 0.000 2.591 885 N HA 0.817 5.572 4.740 0.024 0.000 0.263 885 N C -1.264 174.250 175.510 0.008 0.000 1.308 885 N CA -0.786 52.222 53.050 -0.070 0.000 0.837 885 N CB 2.544 41.008 38.487 -0.039 0.000 1.548 885 N HN 0.828 nan 8.380 nan 0.000 0.493 886 C N -1.072 118.253 119.300 0.042 0.000 3.303 886 C HA 0.475 4.949 4.460 0.024 0.000 0.340 886 C C -1.362 173.479 174.990 -0.249 0.000 1.274 886 C CA -0.894 58.105 59.018 -0.032 0.000 1.234 886 C CB 1.094 28.841 27.740 0.011 0.000 1.532 886 C HN 0.943 nan 8.230 nan 0.000 0.483 887 Q N 1.794 121.219 119.800 -0.626 0.000 2.398 887 Q HA 0.634 4.988 4.340 0.024 0.000 0.251 887 Q C -0.890 174.812 176.000 -0.496 0.000 0.999 887 Q CA -0.422 54.750 55.803 -1.052 0.000 0.874 887 Q CB 0.661 28.338 28.738 -1.769 0.000 1.215 887 Q HN 0.771 nan 8.270 nan 0.000 0.470 888 L N 2.801 123.844 121.223 -0.301 0.000 2.439 888 L HA 0.204 4.558 4.340 0.024 0.000 0.269 888 L C 1.235 178.046 176.870 -0.099 0.000 1.179 888 L CA -0.132 54.656 54.840 -0.087 0.000 0.828 888 L CB 0.724 42.839 42.059 0.093 0.000 1.106 888 L HN 0.817 nan 8.230 nan 0.000 0.467 889 A N 1.947 124.737 122.820 -0.050 0.000 1.929 889 A HA -0.104 4.231 4.320 0.024 0.000 0.216 889 A C 1.155 178.730 177.584 -0.015 0.000 1.176 889 A CA 0.570 52.569 52.037 -0.063 0.000 0.628 889 A CB -0.260 18.695 19.000 -0.075 0.000 0.816 889 A HN 0.770 nan 8.150 nan 0.000 0.444 890 Q N -0.099 119.731 119.800 0.050 0.000 2.392 890 Q HA 0.367 4.722 4.340 0.024 0.000 0.262 890 Q C -1.046 174.990 176.000 0.061 0.000 1.003 890 Q CA 0.617 56.439 55.803 0.032 0.000 0.888 890 Q CB 0.732 29.492 28.738 0.037 0.000 1.260 890 Q HN 0.159 nan 8.270 nan 0.000 0.435 891 V N 3.479 123.385 119.914 -0.014 0.000 2.439 891 V HA 0.683 4.818 4.120 0.024 0.000 0.277 891 V C -0.536 175.520 176.094 -0.062 0.000 1.008 891 V CA -0.294 62.032 62.300 0.043 0.000 0.846 891 V CB 0.749 32.586 31.823 0.023 0.000 1.031 891 V HN 0.905 nan 8.190 nan 0.000 0.441 892 A N 2.990 125.688 122.820 -0.203 0.000 2.269 892 A HA 0.734 5.068 4.320 0.024 0.000 0.319 892 A C 0.820 178.420 177.584 0.026 0.000 1.110 892 A CA -0.397 51.491 52.037 -0.247 0.000 0.847 892 A CB 0.897 19.505 19.000 -0.653 0.000 1.161 892 A HN 0.781 nan 8.150 nan 0.000 0.497 893 E N -0.018 120.192 120.200 0.017 0.000 2.170 893 E HA -0.001 4.364 4.350 0.024 0.000 0.191 893 E C 0.099 176.771 176.600 0.120 0.000 0.981 893 E CA 0.522 56.962 56.400 0.066 0.000 0.830 893 E CB 0.119 29.839 29.700 0.032 0.000 0.775 893 E HN 0.429 nan 8.360 nan 0.000 0.470 894 R N 0.671 121.250 120.500 0.132 0.000 2.832 894 R HA 0.543 4.897 4.340 0.024 0.000 0.271 894 R C -0.727 175.750 176.300 0.294 0.000 0.996 894 R CA -0.860 55.348 56.100 0.179 0.000 0.977 894 R CB 1.906 32.280 30.300 0.123 0.000 1.168 894 R HN -0.153 nan 8.270 nan 0.000 0.482 895 V N 2.038 122.136 119.914 0.306 0.000 2.525 895 V HA 0.337 4.471 4.120 0.024 0.000 0.299 895 V C -0.336 176.020 176.094 0.436 0.000 1.034 895 V CA -0.933 61.586 62.300 0.365 0.000 0.863 895 V CB 1.849 33.830 31.823 0.263 0.000 0.999 895 V HN 0.649 nan 8.190 nan 0.000 0.423 896 N N 4.542 123.476 118.700 0.390 0.000 2.314 896 N HA 0.563 5.317 4.740 0.024 0.000 0.294 896 N C -1.402 174.361 175.510 0.422 0.000 1.029 896 N CA -0.402 52.853 53.050 0.342 0.000 0.845 896 N CB 2.693 41.276 38.487 0.160 0.000 1.321 896 N HN 0.813 nan 8.380 nan 0.000 0.481 897 W N 3.303 124.630 121.300 0.046 0.000 3.213 897 W HA 0.533 5.207 4.660 0.024 0.000 0.318 897 W C -2.115 174.353 176.519 -0.085 0.000 1.248 897 W CA -1.099 56.245 57.345 -0.001 0.000 1.187 897 W CB 0.589 30.074 29.460 0.042 0.000 1.403 897 W HN 0.220 nan 8.180 nan 0.000 0.556 898 L N 4.622 125.802 121.223 -0.071 0.000 2.264 898 L HA 0.903 5.257 4.340 0.024 0.000 0.287 898 L C 0.068 176.722 176.870 -0.360 0.000 1.039 898 L CA 0.514 55.115 54.840 -0.397 0.000 0.829 898 L CB 0.427 42.344 42.059 -0.237 0.000 1.211 898 L HN 0.995 nan 8.230 nan 0.000 0.427 899 G N 3.810 112.240 108.800 -0.616 0.000 2.356 899 G HA2 0.196 4.171 3.960 0.024 0.000 0.281 899 G HA3 0.196 4.171 3.960 0.024 0.000 0.281 899 G C -1.563 173.342 174.900 0.008 0.000 1.246 899 G CA -1.039 43.934 45.100 -0.211 0.000 0.889 899 G HN 0.411 nan 8.290 nan 0.000 0.486 900 L N 1.218 122.610 121.223 0.281 0.000 2.367 900 L HA 0.592 4.946 4.340 0.024 0.000 0.275 900 L C 1.068 178.074 176.870 0.227 0.000 1.129 900 L CA 0.778 55.750 54.840 0.221 0.000 0.839 900 L CB 0.481 42.620 42.059 0.133 0.000 1.133 900 L HN 1.182 nan 8.230 nan 0.000 0.453 901 G N 3.074 111.792 108.800 -0.137 0.000 2.348 901 G HA2 0.211 4.186 3.960 0.024 0.000 0.296 901 G HA3 0.211 4.186 3.960 0.024 0.000 0.296 901 G C -2.711 171.415 174.900 -1.289 0.000 1.258 901 G CA -0.229 44.484 45.100 -0.646 0.000 0.868 901 G HN 0.325 nan 8.290 nan 0.000 0.488 902 P HA 0.037 nan 4.420 nan 0.000 0.224 902 P C 0.484 177.590 177.300 -0.323 0.000 1.157 902 P CA 0.720 63.168 63.100 -1.087 0.000 0.799 902 P CB 0.427 31.563 31.700 -0.939 0.000 0.809 903 Q N 0.521 120.123 119.800 -0.330 0.000 2.396 903 Q HA 0.129 4.483 4.340 0.024 0.000 0.221 903 Q C 0.452 176.350 176.000 -0.171 0.000 1.025 903 Q CA -0.523 55.166 55.803 -0.190 0.000 0.946 903 Q CB 0.570 29.213 28.738 -0.159 0.000 1.224 903 Q HN 0.141 nan 8.270 nan 0.000 0.539 904 E N 1.278 121.385 120.200 -0.155 0.000 2.502 904 E HA -0.106 4.258 4.350 0.024 0.000 0.261 904 E C -1.152 175.377 176.600 -0.119 0.000 0.974 904 E CA 0.272 56.572 56.400 -0.167 0.000 0.936 904 E CB 0.238 29.897 29.700 -0.069 0.000 0.926 904 E HN 0.594 nan 8.360 nan 0.000 0.459 905 N N 2.720 121.284 118.700 -0.228 0.000 2.371 905 N HA 0.262 5.016 4.740 0.024 0.000 0.280 905 N C -1.899 173.402 175.510 -0.348 0.000 1.084 905 N CA -0.661 52.303 53.050 -0.143 0.000 0.892 905 N CB 0.609 39.029 38.487 -0.112 0.000 1.653 905 N HN 0.198 nan 8.380 nan 0.000 0.480 906 Y N 0.535 120.747 120.300 -0.147 0.000 2.587 906 Y HA 0.548 5.112 4.550 0.024 0.000 0.337 906 Y C -1.427 174.405 175.900 -0.113 0.000 1.065 906 Y CA -2.025 55.978 58.100 -0.162 0.000 1.126 906 Y CB 1.412 39.773 38.460 -0.166 0.000 1.279 906 Y HN 0.421 nan 8.280 nan 0.000 0.489 907 P HA -0.229 nan 4.420 nan 0.000 0.217 907 P C 0.333 177.522 177.300 -0.185 0.000 1.158 907 P CA 2.294 65.438 63.100 0.073 0.000 0.887 907 P CB 0.163 32.011 31.700 0.248 0.000 0.792 908 D N -1.970 118.070 120.400 -0.599 0.000 2.325 908 D HA -0.004 4.650 4.640 0.024 0.000 0.225 908 D C 0.833 176.968 176.300 -0.275 0.000 1.096 908 D CA -0.004 53.419 54.000 -0.960 0.000 0.844 908 D CB -0.324 39.675 40.800 -1.336 0.000 0.925 908 D HN 0.178 nan 8.370 nan 0.000 0.513 909 R N 0.986 121.432 120.500 -0.090 0.000 2.734 909 R HA 0.183 4.537 4.340 0.024 0.000 0.242 909 R C -0.803 175.529 176.300 0.054 0.000 1.617 909 R CA -0.184 55.932 56.100 0.025 0.000 1.572 909 R CB 0.060 30.381 30.300 0.035 0.000 1.477 909 R HN 0.110 nan 8.270 nan 0.000 0.707 910 L N -1.383 119.880 121.223 0.067 0.000 3.521 910 L HA 0.321 4.675 4.340 0.024 0.000 0.323 910 L C 1.208 178.136 176.870 0.097 0.000 1.268 910 L CA 0.115 54.992 54.840 0.063 0.000 1.064 910 L CB 0.067 42.154 42.059 0.046 0.000 1.455 910 L HN 0.114 nan 8.230 nan 0.000 0.622 911 T N -2.749 111.888 114.554 0.138 0.000 2.867 911 T HA 0.055 4.419 4.350 0.024 0.000 0.268 911 T C 1.761 176.508 174.700 0.078 0.000 1.057 911 T CA 1.282 63.487 62.100 0.175 0.000 1.136 911 T CB -0.248 68.776 68.868 0.259 0.000 0.874 911 T HN 0.384 nan 8.240 nan 0.000 0.466 912 A N 1.669 124.534 122.820 0.075 0.000 2.016 912 A HA 0.649 4.984 4.320 0.024 0.000 0.217 912 A C 1.658 179.308 177.584 0.111 0.000 1.162 912 A CA 0.527 52.566 52.037 0.003 0.000 0.662 912 A CB -0.947 18.180 19.000 0.212 0.000 0.812 912 A HN 0.828 nan 8.150 nan 0.000 0.450 913 A N -0.972 121.870 122.820 0.037 0.000 2.407 913 A HA 0.436 4.770 4.320 0.024 0.000 0.248 913 A C 0.043 177.643 177.584 0.027 0.000 1.082 913 A CA -0.056 51.963 52.037 -0.030 0.000 0.785 913 A CB -0.183 18.794 19.000 -0.038 0.000 1.020 913 A HN 0.476 nan 8.150 nan 0.000 0.489 914 C N 0.954 120.261 119.300 0.012 0.000 2.493 914 C HA 0.551 5.026 4.460 0.024 0.000 0.326 914 C C -0.057 175.035 174.990 0.170 0.000 1.200 914 C CA -0.467 58.621 59.018 0.116 0.000 1.739 914 C CB 0.728 28.548 27.740 0.133 0.000 2.300 914 C HN 0.786 nan 8.230 nan 0.000 0.500 915 F N 3.661 123.466 119.950 -0.242 0.000 2.445 915 F HA 0.487 5.029 4.527 0.024 0.000 0.359 915 F C 0.398 175.882 175.800 -0.527 0.000 1.101 915 F CA 1.160 58.844 58.000 -0.526 0.000 1.177 915 F CB 0.005 38.113 39.000 -1.488 0.000 1.110 915 F HN 0.620 nan 8.300 nan 0.000 0.522 916 D N 3.068 122.813 120.400 -1.092 0.000 2.827 916 D HA 0.120 4.775 4.640 0.024 0.000 0.336 916 D C -1.691 173.687 176.300 -1.536 0.000 1.374 916 D CA -0.747 52.517 54.000 -1.226 0.000 0.794 916 D CB 1.306 41.347 40.800 -1.265 0.000 1.364 916 D HN 0.431 nan 8.370 nan 0.000 0.464 917 R N 0.944 120.666 120.500 -1.296 0.000 2.210 917 R HA 0.451 4.805 4.340 0.024 0.000 0.338 917 R C -1.303 174.264 176.300 -1.222 0.000 1.062 917 R CA -0.048 55.444 56.100 -1.013 0.000 0.902 917 R CB -0.053 29.891 30.300 -0.593 0.000 1.050 917 R HN 0.251 nan 8.270 nan 0.000 0.461 918 W N 2.664 123.440 121.300 -0.875 0.000 2.639 918 W HA 0.422 5.096 4.660 0.024 0.000 0.347 918 W C -0.326 175.825 176.519 -0.613 0.000 1.067 918 W CA -0.685 56.097 57.345 -0.938 0.000 1.218 918 W CB 1.590 30.023 29.460 -1.712 0.000 1.393 918 W HN 0.376 nan 8.180 nan 0.000 0.557 919 D N 2.596 122.968 120.400 -0.046 0.000 2.616 919 D HA 0.399 5.054 4.640 0.024 0.000 0.238 919 D C -1.516 174.887 176.300 0.172 0.000 1.354 919 D CA -0.135 53.926 54.000 0.103 0.000 0.970 919 D CB 0.892 41.711 40.800 0.032 0.000 1.369 919 D HN 0.374 nan 8.370 nan 0.000 0.585 920 L N 3.202 124.599 121.223 0.291 0.000 2.327 920 L HA 0.624 4.978 4.340 0.024 0.000 0.258 920 L C -2.245 174.739 176.870 0.191 0.000 1.024 920 L CA -2.047 52.928 54.840 0.224 0.000 0.825 920 L CB 2.740 44.958 42.059 0.265 0.000 1.386 920 L HN 0.178 nan 8.230 nan 0.000 0.417 921 P HA 0.047 nan 4.420 nan 0.000 0.274 921 P C 0.559 177.930 177.300 0.118 0.000 1.231 921 P CA -0.472 62.697 63.100 0.115 0.000 0.790 921 P CB 1.373 33.121 31.700 0.080 0.000 0.951 922 L N 3.369 124.666 121.223 0.122 0.000 2.051 922 L HA -0.273 4.081 4.340 0.024 0.000 0.214 922 L C 2.512 179.415 176.870 0.055 0.000 1.076 922 L CA 2.911 57.805 54.840 0.089 0.000 0.758 922 L CB -1.653 40.468 42.059 0.103 0.000 0.890 922 L HN 0.512 nan 8.230 nan 0.000 0.433 923 S N -1.603 114.135 115.700 0.064 0.000 2.387 923 S HA -0.231 4.253 4.470 0.024 0.000 0.230 923 S C 1.671 176.337 174.600 0.109 0.000 1.035 923 S CA 1.416 59.670 58.200 0.090 0.000 1.014 923 S CB -0.885 62.363 63.200 0.079 0.000 0.836 923 S HN 0.557 nan 8.310 nan 0.000 0.466 924 D N 0.971 121.413 120.400 0.070 0.000 2.371 924 D HA 0.094 4.748 4.640 0.024 0.000 0.221 924 D C 1.111 177.412 176.300 0.001 0.000 0.986 924 D CA 0.573 54.594 54.000 0.035 0.000 0.899 924 D CB -0.130 40.697 40.800 0.044 0.000 0.902 924 D HN 0.393 nan 8.370 nan 0.000 0.530 925 M N -0.307 119.298 119.600 0.010 0.000 2.505 925 M HA 0.062 4.556 4.480 0.024 0.000 0.230 925 M C -0.184 176.107 176.300 -0.016 0.000 1.153 925 M CA -0.082 55.174 55.300 -0.073 0.000 0.997 925 M CB -0.869 31.671 32.600 -0.101 0.000 1.606 925 M HN -0.057 nan 8.290 nan 0.000 0.481 926 Y N -0.145 120.105 120.300 -0.085 0.000 2.373 926 Y HA 0.481 5.045 4.550 0.024 0.000 0.336 926 Y C -0.812 175.048 175.900 -0.068 0.000 0.979 926 Y CA -1.011 57.064 58.100 -0.041 0.000 1.080 926 Y CB 1.269 39.755 38.460 0.044 0.000 1.190 926 Y HN -0.111 nan 8.280 nan 0.000 0.446 927 T N 9.182 123.302 114.554 -0.723 0.000 2.733 927 T HA 0.267 4.632 4.350 0.024 0.000 0.294 927 T C -2.577 171.403 174.700 -1.200 0.000 0.956 927 T CA -1.444 60.159 62.100 -0.829 0.000 0.987 927 T CB 1.022 69.462 68.868 -0.714 0.000 0.920 927 T HN 0.475 nan 8.240 nan 0.000 0.470 928 P HA 0.084 nan 4.420 nan 0.000 0.225 928 P C -0.726 176.445 177.300 -0.216 0.000 1.768 928 P CA -0.433 62.298 63.100 -0.614 0.000 0.943 928 P CB -0.576 30.874 31.700 -0.416 0.000 1.936 929 Y N -0.085 120.176 120.300 -0.066 0.000 2.620 929 Y HA -0.096 4.468 4.550 0.024 0.000 0.330 929 Y C 2.268 178.235 175.900 0.111 0.000 1.186 929 Y CA 0.014 58.139 58.100 0.041 0.000 1.467 929 Y CB 0.121 38.524 38.460 -0.095 0.000 1.262 929 Y HN -0.084 nan 8.280 nan 0.000 0.550 930 V N 3.401 123.551 119.914 0.392 0.000 2.282 930 V HA -0.321 3.814 4.120 0.024 0.000 0.249 930 V C 0.768 177.053 176.094 0.318 0.000 1.057 930 V CA 1.536 64.048 62.300 0.354 0.000 1.032 930 V CB -0.664 31.410 31.823 0.419 0.000 0.645 930 V HN 0.618 nan 8.190 nan 0.000 0.447 931 F N 3.196 123.219 119.950 0.122 0.000 2.390 931 F HA 0.477 5.019 4.527 0.024 0.000 0.361 931 F C -2.363 173.462 175.800 0.041 0.000 1.124 931 F CA -3.643 54.369 58.000 0.020 0.000 1.149 931 F CB 0.479 39.396 39.000 -0.137 0.000 1.160 931 F HN 0.012 nan 8.300 nan 0.000 0.501 932 P HA 0.205 nan 4.420 nan 0.000 0.266 932 P C -1.005 175.966 177.300 -0.548 0.000 1.195 932 P CA 0.255 63.104 63.100 -0.417 0.000 0.768 932 P CB 0.986 32.471 31.700 -0.357 0.000 0.838 933 S N 0.155 115.730 115.700 -0.208 0.000 2.683 933 S HA 0.423 4.907 4.470 0.024 0.000 0.269 933 S C -0.915 173.674 174.600 -0.018 0.000 1.165 933 S CA -0.992 57.133 58.200 -0.125 0.000 0.840 933 S CB 0.396 63.550 63.200 -0.077 0.000 1.169 933 S HN 0.332 nan 8.310 nan 0.000 0.490 934 E N 1.232 121.437 120.200 0.007 0.000 2.452 934 E HA 0.406 4.770 4.350 0.024 0.000 0.261 934 E C -0.158 176.498 176.600 0.092 0.000 0.987 934 E CA 0.788 57.222 56.400 0.056 0.000 0.926 934 E CB -0.160 29.599 29.700 0.098 0.000 0.934 934 E HN 0.817 nan 8.360 nan 0.000 0.452 935 N N 1.221 120.008 118.700 0.144 0.000 3.116 935 N HA 0.466 5.221 4.740 0.024 0.000 0.244 935 N C 0.170 175.729 175.510 0.080 0.000 1.485 935 N CA -0.561 52.610 53.050 0.201 0.000 0.884 935 N CB 0.689 39.297 38.487 0.201 0.000 1.415 935 N HN 0.730 nan 8.380 nan 0.000 0.524 936 G N -1.336 107.472 108.800 0.014 0.000 2.168 936 G HA2 -0.274 3.701 3.960 0.024 0.000 0.263 936 G HA3 -0.274 3.701 3.960 0.024 0.000 0.263 936 G C -0.221 174.415 174.900 -0.440 0.000 0.977 936 G CA 0.567 45.556 45.100 -0.184 0.000 0.659 936 G HN 0.725 nan 8.290 nan 0.000 0.533 937 L N -0.133 120.753 121.223 -0.561 0.000 2.483 937 L HA 0.703 5.058 4.340 0.024 0.000 0.276 937 L C 0.602 176.904 176.870 -0.947 0.000 1.213 937 L CA 0.238 54.510 54.840 -0.946 0.000 0.843 937 L CB 0.606 41.817 42.059 -1.414 0.000 1.107 937 L HN 0.226 nan 8.230 nan 0.000 0.487 938 R N 2.566 122.440 120.500 -1.043 0.000 2.532 938 R HA 0.508 4.863 4.340 0.024 0.000 0.297 938 R C -1.108 174.888 176.300 -0.506 0.000 0.984 938 R CA -0.265 55.375 56.100 -0.768 0.000 0.884 938 R CB 1.403 31.083 30.300 -1.032 0.000 1.182 938 R HN 0.719 nan 8.270 nan 0.000 0.442 939 C N 0.355 119.494 119.300 -0.268 0.000 2.354 939 C HA 0.729 5.203 4.460 0.024 0.000 0.381 939 C C 1.261 176.251 174.990 -0.001 0.000 1.240 939 C CA -0.125 58.809 59.018 -0.139 0.000 2.089 939 C CB 1.370 29.041 27.740 -0.115 0.000 2.234 939 C HN 1.023 nan 8.230 nan 0.000 0.544 940 G N 1.814 110.617 108.800 0.005 0.000 2.356 940 G HA2 -0.189 3.786 3.960 0.024 0.000 0.296 940 G HA3 -0.189 3.786 3.960 0.024 0.000 0.296 940 G C -0.047 174.922 174.900 0.115 0.000 1.022 940 G CA 0.595 45.739 45.100 0.073 0.000 0.961 940 G HN 0.810 nan 8.290 nan 0.000 0.510 941 T N 0.056 114.565 114.554 -0.076 0.000 2.806 941 T HA 0.495 4.859 4.350 0.024 0.000 0.290 941 T C 1.351 175.780 174.700 -0.452 0.000 0.966 941 T CA -0.590 61.422 62.100 -0.147 0.000 1.060 941 T CB 1.280 70.066 68.868 -0.138 0.000 0.927 941 T HN 0.230 nan 8.240 nan 0.000 0.485 942 R N 1.573 122.002 120.500 -0.119 0.000 2.282 942 R HA 0.299 4.654 4.340 0.024 0.000 0.195 942 R C 0.512 176.815 176.300 0.006 0.000 0.909 942 R CA 0.179 56.249 56.100 -0.049 0.000 1.039 942 R CB 0.342 30.743 30.300 0.169 0.000 1.015 942 R HN 0.684 nan 8.270 nan 0.000 0.513 943 E N 0.456 120.669 120.200 0.021 0.000 2.347 943 E HA 0.298 4.662 4.350 0.024 0.000 0.285 943 E C -1.869 174.847 176.600 0.193 0.000 0.925 943 E CA -0.634 55.858 56.400 0.155 0.000 0.779 943 E CB 1.518 31.286 29.700 0.113 0.000 1.233 943 E HN -0.080 nan 8.360 nan 0.000 0.414 944 L N 4.007 125.403 121.223 0.288 0.000 2.385 944 L HA 0.601 4.955 4.340 0.024 0.000 0.273 944 L C -1.796 175.256 176.870 0.304 0.000 0.990 944 L CA -0.398 54.559 54.840 0.196 0.000 0.821 944 L CB 1.775 43.801 42.059 -0.056 0.000 1.279 944 L HN 0.446 nan 8.230 nan 0.000 0.412 945 N N 4.410 123.268 118.700 0.262 0.000 2.346 945 N HA 0.390 5.144 4.740 0.024 0.000 0.289 945 N C -2.015 173.711 175.510 0.360 0.000 1.027 945 N CA -0.258 52.942 53.050 0.249 0.000 0.864 945 N CB 2.166 40.745 38.487 0.152 0.000 1.370 945 N HN 0.600 nan 8.380 nan 0.000 0.481 946 Y N 1.339 121.770 120.300 0.219 0.000 2.307 946 Y HA 0.406 4.970 4.550 0.024 0.000 0.323 946 Y C 0.670 176.668 175.900 0.163 0.000 1.100 946 Y CA 0.110 58.342 58.100 0.220 0.000 1.140 946 Y CB 0.590 39.244 38.460 0.322 0.000 1.159 946 Y HN 0.842 nan 8.280 nan 0.000 0.436 947 G N 6.598 115.207 108.800 -0.318 0.000 2.591 947 G HA2 -0.303 3.671 3.960 0.024 0.000 0.298 947 G HA3 -0.303 3.671 3.960 0.024 0.000 0.298 947 G C -1.736 173.029 174.900 -0.226 0.000 1.195 947 G CA 0.211 45.108 45.100 -0.338 0.000 0.989 947 G HN 0.620 nan 8.290 nan 0.000 0.551 948 P HA 0.185 nan 4.420 nan 0.000 0.261 948 P C 0.014 177.080 177.300 -0.390 0.000 1.268 948 P CA 0.497 63.387 63.100 -0.350 0.000 0.833 948 P CB 0.087 31.546 31.700 -0.401 0.000 1.231 949 H N 0.437 119.419 119.070 -0.147 0.000 2.483 949 H HA 0.498 5.069 4.556 0.024 0.000 0.338 949 H C -0.163 174.851 175.328 -0.523 0.000 1.152 949 H CA -0.081 55.726 56.048 -0.402 0.000 1.264 949 H CB 1.802 31.106 29.762 -0.763 0.000 1.510 949 H HN 0.079 nan 8.280 nan 0.000 0.530 950 Q N 2.236 121.698 119.800 -0.564 0.000 2.263 950 Q HA 0.198 4.552 4.340 0.024 0.000 0.262 950 Q C -1.687 174.036 176.000 -0.461 0.000 0.984 950 Q CA -0.628 54.979 55.803 -0.327 0.000 0.813 950 Q CB 2.003 30.695 28.738 -0.077 0.000 1.299 950 Q HN 0.584 nan 8.270 nan 0.000 0.428 951 W N 4.107 125.359 121.300 -0.080 0.000 2.587 951 W HA 0.571 5.246 4.660 0.024 0.000 0.324 951 W C -0.096 176.513 176.519 0.150 0.000 1.040 951 W CA -0.681 56.599 57.345 -0.109 0.000 1.222 951 W CB 1.865 31.069 29.460 -0.426 0.000 1.381 951 W HN 0.495 nan 8.180 nan 0.000 0.483 952 R N 0.745 121.482 120.500 0.394 0.000 2.807 952 R HA 0.799 5.154 4.340 0.024 0.000 0.276 952 R C 0.228 176.795 176.300 0.445 0.000 0.979 952 R CA -0.474 55.857 56.100 0.385 0.000 0.928 952 R CB 2.361 32.797 30.300 0.227 0.000 1.191 952 R HN 0.744 nan 8.270 nan 0.000 0.471 953 G N 0.695 109.716 108.800 0.368 0.000 2.470 953 G HA2 -0.023 3.952 3.960 0.024 0.000 0.145 953 G HA3 -0.023 3.952 3.960 0.024 0.000 0.145 953 G C -1.760 173.226 174.900 0.144 0.000 1.223 953 G CA -0.411 44.880 45.100 0.318 0.000 1.058 953 G HN 0.503 nan 8.290 nan 0.000 0.469 954 D N 0.090 120.580 120.400 0.151 0.000 2.411 954 D HA 0.589 5.243 4.640 0.024 0.000 0.239 954 D C -0.633 175.658 176.300 -0.015 0.000 1.307 954 D CA -0.424 53.554 54.000 -0.035 0.000 0.930 954 D CB 0.142 40.961 40.800 0.033 0.000 1.395 954 D HN 0.568 nan 8.370 nan 0.000 0.536 955 F N -0.216 119.726 119.950 -0.014 0.000 2.790 955 F HA 0.756 5.297 4.527 0.024 0.000 0.337 955 F C -0.874 174.888 175.800 -0.064 0.000 1.163 955 F CA -0.998 56.939 58.000 -0.105 0.000 0.997 955 F CB 0.738 39.675 39.000 -0.105 0.000 1.437 955 F HN -0.162 nan 8.300 nan 0.000 0.512 956 Q N 1.335 121.242 119.800 0.179 0.000 2.348 956 Q HA 0.676 5.030 4.340 0.024 0.000 0.271 956 Q C -1.283 174.805 176.000 0.146 0.000 1.067 956 Q CA -0.553 55.262 55.803 0.020 0.000 0.839 956 Q CB 2.784 31.425 28.738 -0.161 0.000 1.354 956 Q HN 0.876 nan 8.270 nan 0.000 0.447 957 F N -1.295 118.535 119.950 -0.200 0.000 2.741 957 F HA 0.713 5.254 4.527 0.024 0.000 0.311 957 F C -1.913 173.663 175.800 -0.374 0.000 1.149 957 F CA -1.093 56.743 58.000 -0.273 0.000 0.930 957 F CB 1.327 40.187 39.000 -0.235 0.000 1.312 957 F HN 0.588 nan 8.300 nan 0.000 0.450 958 N N 1.671 120.135 118.700 -0.393 0.000 2.331 958 N HA 0.718 5.473 4.740 0.024 0.000 0.280 958 N C -2.195 173.221 175.510 -0.156 0.000 1.155 958 N CA -0.703 52.092 53.050 -0.425 0.000 0.822 958 N CB 2.565 40.849 38.487 -0.338 0.000 1.619 958 N HN 1.139 nan 8.380 nan 0.000 0.476 959 I N 0.498 120.974 120.570 -0.158 0.000 2.644 959 I HA 0.736 4.920 4.170 0.024 0.000 0.291 959 I C -1.332 174.679 176.117 -0.177 0.000 1.180 959 I CA -0.023 61.162 61.300 -0.192 0.000 1.040 959 I CB 1.442 39.260 38.000 -0.304 0.000 1.255 959 I HN 1.051 nan 8.210 nan 0.000 0.422 960 S N 6.175 121.781 115.700 -0.157 0.000 2.683 960 S HA 0.515 5.000 4.470 0.024 0.000 0.269 960 S C -0.306 174.159 174.600 -0.225 0.000 1.165 960 S CA -0.987 57.094 58.200 -0.198 0.000 0.840 960 S CB 1.607 64.724 63.200 -0.139 0.000 1.169 960 S HN 0.625 nan 8.310 nan 0.000 0.490 961 R N -0.134 120.058 120.500 -0.513 0.000 2.356 961 R HA 0.259 4.613 4.340 0.024 0.000 0.234 961 R C -1.027 175.013 176.300 -0.434 0.000 0.929 961 R CA 0.268 56.097 56.100 -0.451 0.000 1.084 961 R CB -0.906 29.060 30.300 -0.556 0.000 1.105 961 R HN 0.620 nan 8.270 nan 0.000 0.515 962 Y N 0.090 120.356 120.300 -0.057 0.000 2.331 962 Y HA 0.252 4.817 4.550 0.024 0.000 0.334 962 Y C 0.706 176.402 175.900 -0.340 0.000 0.960 962 Y CA -1.686 56.293 58.100 -0.201 0.000 1.130 962 Y CB 1.284 39.575 38.460 -0.281 0.000 1.164 962 Y HN -0.094 nan 8.280 nan 0.000 0.458 963 S N 1.789 117.145 115.700 -0.573 0.000 2.603 963 S HA 0.095 4.579 4.470 0.024 0.000 0.268 963 S C 0.916 175.172 174.600 -0.575 0.000 1.317 963 S CA -0.714 56.767 58.200 -1.198 0.000 1.012 963 S CB 1.134 63.285 63.200 -1.749 0.000 0.926 963 S HN 0.676 nan 8.310 nan 0.000 0.539 964 Q N 0.580 120.068 119.800 -0.521 0.000 2.226 964 Q HA -0.177 4.178 4.340 0.024 0.000 0.204 964 Q C 2.129 177.986 176.000 -0.238 0.000 0.975 964 Q CA 1.597 57.234 55.803 -0.277 0.000 0.866 964 Q CB -0.480 28.131 28.738 -0.212 0.000 0.915 964 Q HN 0.939 nan 8.270 nan 0.000 0.440 965 Q N 0.495 120.110 119.800 -0.308 0.000 2.046 965 Q HA -0.201 4.153 4.340 0.024 0.000 0.200 965 Q C 2.116 178.010 176.000 -0.175 0.000 0.975 965 Q CA 1.424 57.106 55.803 -0.202 0.000 0.836 965 Q CB 0.071 28.693 28.738 -0.193 0.000 0.896 965 Q HN 0.416 nan 8.270 nan 0.000 0.428 966 Q N 0.093 119.764 119.800 -0.215 0.000 2.046 966 Q HA -0.163 4.192 4.340 0.024 0.000 0.200 966 Q C 2.213 178.102 176.000 -0.185 0.000 0.975 966 Q CA 1.181 56.882 55.803 -0.171 0.000 0.836 966 Q CB -0.089 28.524 28.738 -0.208 0.000 0.896 966 Q HN 0.452 nan 8.270 nan 0.000 0.428 967 L N 0.575 121.674 121.223 -0.207 0.000 2.043 967 L HA -0.239 4.115 4.340 0.024 0.000 0.212 967 L C 2.718 179.459 176.870 -0.215 0.000 1.075 967 L CA 1.796 56.509 54.840 -0.211 0.000 0.752 967 L CB -0.513 41.452 42.059 -0.156 0.000 0.891 967 L HN 0.504 nan 8.230 nan 0.000 0.432 968 M N -2.091 117.411 119.600 -0.164 0.000 2.562 968 M HA -0.040 4.454 4.480 0.024 0.000 0.257 968 M C 1.347 177.579 176.300 -0.114 0.000 1.099 968 M CA 1.465 56.682 55.300 -0.137 0.000 1.099 968 M CB -0.199 32.333 32.600 -0.113 0.000 1.427 968 M HN 0.108 nan 8.290 nan 0.000 0.489 969 E N 0.835 120.968 120.200 -0.111 0.000 2.452 969 E HA 0.112 4.477 4.350 0.024 0.000 0.197 969 E C -0.262 176.303 176.600 -0.058 0.000 1.022 969 E CA 0.183 56.543 56.400 -0.068 0.000 0.890 969 E CB 0.608 30.276 29.700 -0.054 0.000 0.918 969 E HN 0.409 nan 8.360 nan 0.000 0.496 970 T N 0.533 115.020 114.554 -0.111 0.000 2.795 970 T HA 0.100 4.464 4.350 0.024 0.000 0.282 970 T C 1.105 175.739 174.700 -0.110 0.000 0.980 970 T CA -0.404 61.635 62.100 -0.102 0.000 1.012 970 T CB 1.678 70.454 68.868 -0.153 0.000 0.936 970 T HN 0.025 nan 8.240 nan 0.000 0.457 971 S N 1.875 117.610 115.700 0.058 0.000 2.478 971 S HA 0.062 4.546 4.470 0.024 0.000 0.222 971 S C 0.269 174.938 174.600 0.115 0.000 1.008 971 S CA 0.253 58.573 58.200 0.199 0.000 0.928 971 S CB -0.235 63.197 63.200 0.388 0.000 0.781 971 S HN 0.748 nan 8.310 nan 0.000 0.518 972 H N 0.631 119.733 119.070 0.053 0.000 2.679 972 H HA 0.528 5.099 4.556 0.024 0.000 0.360 972 H C 0.981 176.279 175.328 -0.049 0.000 1.105 972 H CA -0.802 55.310 56.048 0.107 0.000 1.196 972 H CB 1.480 31.300 29.762 0.097 0.000 1.636 972 H HN 0.139 nan 8.280 nan 0.000 0.531 973 R N 1.774 122.380 120.500 0.176 0.000 2.105 973 R HA -0.177 4.178 4.340 0.024 0.000 0.239 973 R C 1.250 177.558 176.300 0.013 0.000 1.135 973 R CA 1.896 58.032 56.100 0.061 0.000 0.967 973 R CB -0.511 29.868 30.300 0.131 0.000 0.861 973 R HN 0.788 nan 8.270 nan 0.000 0.442 974 H N 1.085 120.150 119.070 -0.009 0.000 2.545 974 H HA 0.015 4.585 4.556 0.024 0.000 0.282 974 H C 1.520 176.760 175.328 -0.145 0.000 1.020 974 H CA 0.847 56.849 56.048 -0.076 0.000 1.243 974 H CB -0.169 29.526 29.762 -0.112 0.000 1.377 974 H HN 0.320 nan 8.280 nan 0.000 0.581 975 L N 0.841 121.671 121.223 -0.654 0.000 2.591 975 L HA 0.194 4.549 4.340 0.024 0.000 0.228 975 L C 0.697 177.433 176.870 -0.223 0.000 1.133 975 L CA -0.117 54.414 54.840 -0.516 0.000 0.880 975 L CB 0.089 41.824 42.059 -0.540 0.000 1.033 975 L HN 0.061 nan 8.230 nan 0.000 0.450 976 L N 1.047 122.139 121.223 -0.218 0.000 2.397 976 L HA 0.151 4.506 4.340 0.024 0.000 0.271 976 L C 0.070 176.919 176.870 -0.034 0.000 1.148 976 L CA -0.176 54.521 54.840 -0.239 0.000 0.825 976 L CB 0.414 42.098 42.059 -0.624 0.000 1.117 976 L HN 0.184 nan 8.230 nan 0.000 0.456 977 H N 1.844 120.902 119.070 -0.020 0.000 2.589 977 H HA 0.585 5.155 4.556 0.024 0.000 0.351 977 H C -0.706 174.745 175.328 0.205 0.000 1.074 977 H CA -1.220 54.875 56.048 0.078 0.000 1.203 977 H CB 1.180 30.953 29.762 0.018 0.000 1.558 977 H HN 0.668 nan 8.280 nan 0.000 0.522 978 A N 3.545 126.462 122.820 0.160 0.000 2.540 978 A HA 0.121 4.455 4.320 0.024 0.000 0.239 978 A C 0.322 177.913 177.584 0.012 0.000 1.061 978 A CA -0.090 51.930 52.037 -0.029 0.000 0.758 978 A CB 0.020 18.973 19.000 -0.078 0.000 0.991 978 A HN 0.855 nan 8.150 nan 0.000 0.502 979 E N 0.612 120.803 120.200 -0.016 0.000 2.267 979 E HA 0.269 4.634 4.350 0.024 0.000 0.258 979 E C -0.235 176.387 176.600 0.036 0.000 1.074 979 E CA -0.742 55.708 56.400 0.083 0.000 0.915 979 E CB 0.870 30.704 29.700 0.223 0.000 1.186 979 E HN 0.794 nan 8.360 nan 0.000 0.439 980 E N 0.200 120.422 120.200 0.036 0.000 2.392 980 E HA 0.204 4.569 4.350 0.024 0.000 0.264 980 E C 0.363 176.906 176.600 -0.096 0.000 1.024 980 E CA 0.654 57.042 56.400 -0.021 0.000 0.903 980 E CB 0.411 30.101 29.700 -0.017 0.000 0.963 980 E HN 0.676 nan 8.360 nan 0.000 0.432 981 G N 2.829 111.577 108.800 -0.086 0.000 2.601 981 G HA2 -0.246 3.728 3.960 0.024 0.000 0.252 981 G HA3 -0.246 3.728 3.960 0.024 0.000 0.252 981 G C -0.570 174.259 174.900 -0.120 0.000 1.294 981 G CA -0.073 44.962 45.100 -0.109 0.000 0.912 981 G HN 0.618 nan 8.290 nan 0.000 0.574 982 T N 0.145 114.612 114.554 -0.146 0.000 2.879 982 T HA 0.485 4.849 4.350 0.024 0.000 0.290 982 T C -0.769 173.779 174.700 -0.253 0.000 0.993 982 T CA -0.191 61.831 62.100 -0.131 0.000 0.975 982 T CB 1.351 70.234 68.868 0.024 0.000 0.981 982 T HN 0.564 nan 8.240 nan 0.000 0.439 983 W N 3.380 124.586 121.300 -0.156 0.000 2.345 983 W HA 0.557 5.232 4.660 0.024 0.000 0.308 983 W C -0.197 176.188 176.519 -0.223 0.000 1.273 983 W CA -0.627 56.622 57.345 -0.161 0.000 1.243 983 W CB 0.560 29.934 29.460 -0.143 0.000 1.260 983 W HN 0.358 nan 8.180 nan 0.000 0.509 984 L N 5.771 126.974 121.223 -0.033 0.000 2.333 984 L HA 0.505 4.859 4.340 0.024 0.000 0.280 984 L C -0.929 175.827 176.870 -0.190 0.000 1.004 984 L CA -0.491 54.214 54.840 -0.225 0.000 0.820 984 L CB 0.884 42.661 42.059 -0.469 0.000 1.247 984 L HN 0.303 nan 8.230 nan 0.000 0.416 985 N N 6.909 125.485 118.700 -0.207 0.000 2.479 985 N HA 0.428 5.183 4.740 0.024 0.000 0.261 985 N C -1.295 174.059 175.510 -0.259 0.000 0.979 985 N CA -0.375 52.554 53.050 -0.201 0.000 0.930 985 N CB 2.148 40.547 38.487 -0.147 0.000 1.172 985 N HN 0.438 nan 8.380 nan 0.000 0.499 986 I N 2.188 122.554 120.570 -0.341 0.000 2.354 986 I HA 0.279 4.463 4.170 0.024 0.000 0.286 986 I C -0.279 175.645 176.117 -0.321 0.000 1.007 986 I CA -0.479 60.576 61.300 -0.407 0.000 1.167 986 I CB 1.288 38.858 38.000 -0.716 0.000 1.320 986 I HN 0.204 nan 8.210 nan 0.000 0.458 987 D N 4.647 124.903 120.400 -0.240 0.000 2.192 987 D HA 0.338 4.992 4.640 0.024 0.000 0.246 987 D C 1.137 177.175 176.300 -0.437 0.000 1.042 987 D CA -0.287 53.519 54.000 -0.323 0.000 0.847 987 D CB 2.590 43.293 40.800 -0.162 0.000 1.186 987 D HN 0.679 nan 8.370 nan 0.000 0.461 988 G N 1.080 109.342 108.800 -0.898 0.000 2.430 988 G HA2 0.007 3.982 3.960 0.024 0.000 0.216 988 G HA3 0.007 3.982 3.960 0.024 0.000 0.216 988 G C 0.077 174.339 174.900 -1.062 0.000 1.146 988 G CA 0.481 44.949 45.100 -1.054 0.000 0.793 988 G HN 0.364 nan 8.290 nan 0.000 0.537 989 F N -1.924 117.835 119.950 -0.318 0.000 2.591 989 F HA 0.588 5.129 4.527 0.024 0.000 0.309 989 F C -0.602 175.105 175.800 -0.155 0.000 1.098 989 F CA -1.237 56.666 58.000 -0.162 0.000 0.937 989 F CB 2.066 40.945 39.000 -0.202 0.000 1.250 989 F HN 0.021 nan 8.300 nan 0.000 0.447 990 H N 2.004 121.088 119.070 0.022 0.000 2.771 990 H HA 0.527 5.097 4.556 0.024 0.000 0.361 990 H C -0.791 174.567 175.328 0.050 0.000 1.108 990 H CA -0.849 55.185 56.048 -0.023 0.000 1.201 990 H CB 1.811 31.541 29.762 -0.054 0.000 1.681 990 H HN 0.778 nan 8.280 nan 0.000 0.534 991 M N 3.443 122.983 119.600 -0.100 0.000 2.245 991 M HA 0.275 4.770 4.480 0.024 0.000 0.330 991 M C 0.467 176.872 176.300 0.175 0.000 1.098 991 M CA 0.247 55.562 55.300 0.024 0.000 1.172 991 M CB 0.341 32.861 32.600 -0.133 0.000 1.467 991 M HN 0.856 nan 8.290 nan 0.000 0.454 992 G N 2.985 111.870 108.800 0.142 0.000 2.664 992 G HA2 0.258 4.233 3.960 0.024 0.000 0.242 992 G HA3 0.258 4.233 3.960 0.024 0.000 0.242 992 G C 0.648 175.537 174.900 -0.017 0.000 1.225 992 G CA -0.402 44.721 45.100 0.038 0.000 0.849 992 G HN 0.972 nan 8.290 nan 0.000 0.581 993 I N -1.043 119.470 120.570 -0.095 0.000 3.228 993 I HA 0.381 4.565 4.170 0.024 0.000 0.279 993 I C 1.282 177.343 176.117 -0.095 0.000 1.221 993 I CA 0.456 61.664 61.300 -0.154 0.000 1.458 993 I CB -0.651 37.148 38.000 -0.334 0.000 1.105 993 I HN 0.918 nan 8.210 nan 0.000 0.445 994 G N 1.590 110.352 108.800 -0.062 0.000 2.601 994 G HA2 0.009 3.983 3.960 0.024 0.000 0.252 994 G HA3 0.009 3.983 3.960 0.024 0.000 0.252 994 G C 0.575 175.481 174.900 0.010 0.000 1.294 994 G CA 0.190 45.292 45.100 0.003 0.000 0.912 994 G HN 1.380 nan 8.290 nan 0.000 0.574 995 G N -2.402 106.418 108.800 0.034 0.000 2.559 995 G HA2 0.019 3.994 3.960 0.024 0.000 0.202 995 G HA3 0.019 3.994 3.960 0.024 0.000 0.202 995 G C 0.637 175.595 174.900 0.098 0.000 0.992 995 G CA 0.929 46.058 45.100 0.048 0.000 0.764 995 G HN 0.962 nan 8.290 nan 0.000 0.525 996 D N 1.241 121.717 120.400 0.127 0.000 2.190 996 D HA 0.092 4.746 4.640 0.024 0.000 0.200 996 D C 0.989 177.330 176.300 0.069 0.000 0.992 996 D CA 2.135 56.273 54.000 0.230 0.000 0.854 996 D CB 0.131 41.070 40.800 0.231 0.000 0.936 996 D HN 0.828 nan 8.370 nan 0.000 0.462 997 D N -3.613 116.613 120.400 -0.290 0.000 2.671 997 D HA 0.296 4.950 4.640 0.024 0.000 0.273 997 D C -0.843 174.942 176.300 -0.858 0.000 1.264 997 D CA -0.732 52.645 54.000 -1.039 0.000 0.788 997 D CB 0.823 40.570 40.800 -1.756 0.000 1.324 997 D HN -0.303 nan 8.370 nan 0.000 0.424 998 S N -0.379 114.680 115.700 -1.069 0.000 2.651 998 S HA 0.250 4.734 4.470 0.024 0.000 0.246 998 S C -0.659 173.933 174.600 -0.013 0.000 1.039 998 S CA -0.679 57.373 58.200 -0.247 0.000 1.013 998 S CB -0.508 62.799 63.200 0.179 0.000 0.861 998 S HN 0.597 nan 8.310 nan 0.000 0.485 999 W N 1.084 122.306 121.300 -0.130 0.000 2.007 999 W HA 0.588 5.262 4.660 0.023 0.000 0.301 999 W C -0.107 176.341 176.519 -0.120 0.000 0.887 999 W CA -0.626 56.624 57.345 -0.159 0.000 1.625 999 W CB -0.577 28.733 29.460 -0.251 0.000 1.078 999 W HN 0.165 nan 8.180 nan 0.000 0.502 1000 S N -1.441 114.156 115.700 -0.172 0.000 2.565 1000 S HA 0.540 5.024 4.470 0.024 0.000 0.274 1000 S C -3.192 171.339 174.600 -0.114 0.000 1.144 1000 S CA -1.437 56.695 58.200 -0.112 0.000 0.849 1000 S CB 1.450 64.605 63.200 -0.074 0.000 1.103 1000 S HN -0.202 nan 8.310 nan 0.000 0.455 1001 P HA 0.155 nan 4.420 nan 0.000 0.261 1001 P C 0.447 177.783 177.300 0.060 0.000 1.183 1001 P CA 0.183 63.274 63.100 -0.014 0.000 0.761 1001 P CB 0.560 32.130 31.700 -0.216 0.000 0.785 1002 S N 0.888 116.670 115.700 0.136 0.000 2.780 1002 S HA 0.135 4.619 4.470 0.024 0.000 0.248 1002 S C 0.216 174.907 174.600 0.152 0.000 1.036 1002 S CA -0.298 57.958 58.200 0.093 0.000 1.061 1002 S CB -0.196 63.007 63.200 0.006 0.000 1.037 1002 S HN 0.109 nan 8.310 nan 0.000 0.584 1003 V N 2.896 122.952 119.914 0.236 0.000 2.455 1003 V HA 0.372 4.507 4.120 0.024 0.000 0.273 1003 V C 0.797 177.050 176.094 0.265 0.000 1.045 1003 V CA -0.247 62.177 62.300 0.207 0.000 0.976 1003 V CB 0.987 32.880 31.823 0.117 0.000 0.993 1003 V HN 0.518 nan 8.190 nan 0.000 0.475 1004 S N 4.029 119.896 115.700 0.278 0.000 2.572 1004 S HA 0.312 4.797 4.470 0.024 0.000 0.279 1004 S C 1.544 176.287 174.600 0.239 0.000 1.341 1004 S CA 0.069 58.423 58.200 0.257 0.000 1.043 1004 S CB 1.157 64.532 63.200 0.291 0.000 0.887 1004 S HN 0.989 nan 8.310 nan 0.000 0.516 1005 A N 3.658 126.575 122.820 0.161 0.000 1.903 1005 A HA -0.184 4.150 4.320 0.024 0.000 0.219 1005 A C 2.016 179.627 177.584 0.045 0.000 1.191 1005 A CA 2.033 54.145 52.037 0.126 0.000 0.638 1005 A CB -0.814 18.237 19.000 0.085 0.000 0.823 1005 A HN 0.974 nan 8.150 nan 0.000 0.451 1006 E N -1.155 119.007 120.200 -0.063 0.000 2.401 1006 E HA -0.150 4.215 4.350 0.024 0.000 0.199 1006 E C 0.624 176.996 176.600 -0.380 0.000 1.023 1006 E CA 0.883 57.128 56.400 -0.257 0.000 0.859 1006 E CB -0.384 29.064 29.700 -0.420 0.000 0.780 1006 E HN 0.624 nan 8.360 nan 0.000 0.523 1007 F N 1.158 121.156 119.950 0.080 0.000 2.654 1007 F HA 0.308 4.849 4.527 0.023 0.000 0.303 1007 F C 0.716 176.549 175.800 0.054 0.000 1.099 1007 F CA -0.349 57.700 58.000 0.081 0.000 1.270 1007 F CB 0.452 39.502 39.000 0.083 0.000 1.024 1007 F HN -0.164 nan 8.300 nan 0.000 0.548 1008 Q N 0.891 120.790 119.800 0.164 0.000 2.230 1008 Q HA 0.453 4.808 4.340 0.024 0.000 0.253 1008 Q C -0.276 175.735 176.000 0.019 0.000 0.919 1008 Q CA -0.560 55.302 55.803 0.097 0.000 0.908 1008 Q CB 2.011 30.876 28.738 0.211 0.000 1.245 1008 Q HN 0.184 nan 8.270 nan 0.000 0.437 1009 L N 2.450 123.674 121.223 0.001 0.000 2.387 1009 L HA 0.127 4.482 4.340 0.024 0.000 0.267 1009 L C 0.570 177.417 176.870 -0.039 0.000 1.197 1009 L CA -0.059 54.784 54.840 0.005 0.000 1.070 1009 L CB -0.330 41.616 42.059 -0.188 0.000 1.349 1009 L HN 0.684 nan 8.230 nan 0.000 0.422 1010 S N -0.959 114.634 115.700 -0.180 0.000 2.593 1010 S HA 0.167 4.652 4.470 0.024 0.000 0.236 1010 S C 1.603 176.166 174.600 -0.062 0.000 0.991 1010 S CA 0.153 58.124 58.200 -0.382 0.000 0.963 1010 S CB 0.803 63.556 63.200 -0.745 0.000 0.865 1010 S HN 0.524 nan 8.310 nan 0.000 0.488 1011 A N 1.600 124.414 122.820 -0.010 0.000 2.070 1011 A HA 0.422 4.756 4.320 0.024 0.000 0.220 1011 A C 2.143 179.628 177.584 -0.164 0.000 1.159 1011 A CA 1.343 53.237 52.037 -0.237 0.000 0.656 1011 A CB -1.287 17.275 19.000 -0.731 0.000 0.800 1011 A HN 1.504 nan 8.150 nan 0.000 0.453 1012 G N -1.458 107.367 108.800 0.041 0.000 2.498 1012 G HA2 -0.297 3.678 3.960 0.024 0.000 0.229 1012 G HA3 -0.297 3.678 3.960 0.024 0.000 0.229 1012 G C 0.459 175.411 174.900 0.087 0.000 1.156 1012 G CA 0.460 45.613 45.100 0.090 0.000 0.680 1012 G HN 0.692 nan 8.290 nan 0.000 0.512 1013 R N -0.418 120.023 120.500 -0.099 0.000 2.532 1013 R HA 0.650 5.005 4.340 0.024 0.000 0.297 1013 R C -1.544 174.587 176.300 -0.282 0.000 0.984 1013 R CA -0.587 55.486 56.100 -0.045 0.000 0.884 1013 R CB 1.482 31.764 30.300 -0.030 0.000 1.182 1013 R HN 0.231 nan 8.270 nan 0.000 0.442 1014 Y N 0.350 120.647 120.300 -0.006 0.000 2.536 1014 Y HA 0.392 4.957 4.550 0.024 0.000 0.347 1014 Y C -0.266 175.779 175.900 0.241 0.000 1.000 1014 Y CA -0.844 57.221 58.100 -0.058 0.000 1.051 1014 Y CB 2.074 40.340 38.460 -0.322 0.000 1.259 1014 Y HN 0.563 nan 8.280 nan 0.000 0.468 1015 H N 2.136 121.468 119.070 0.435 0.000 2.771 1015 H HA 0.599 5.169 4.556 0.024 0.000 0.361 1015 H C -1.878 173.839 175.328 0.647 0.000 1.108 1015 H CA -0.961 55.340 56.048 0.422 0.000 1.201 1015 H CB 1.183 31.082 29.762 0.229 0.000 1.681 1015 H HN 0.540 nan 8.280 nan 0.000 0.534 1016 Y N 1.847 121.938 120.300 -0.348 0.000 2.592 1016 Y HA 0.415 4.979 4.550 0.024 0.000 0.334 1016 Y C -2.038 173.653 175.900 -0.347 0.000 1.136 1016 Y CA -1.110 56.842 58.100 -0.248 0.000 1.042 1016 Y CB 1.194 39.639 38.460 -0.026 0.000 1.325 1016 Y HN 0.754 nan 8.280 nan 0.000 0.457 1017 Q N 3.487 123.221 119.800 -0.111 0.000 2.372 1017 Q HA 0.840 5.194 4.340 0.024 0.000 0.273 1017 Q C -1.992 174.071 176.000 0.106 0.000 1.078 1017 Q CA -1.087 54.662 55.803 -0.089 0.000 0.806 1017 Q CB 3.307 32.028 28.738 -0.027 0.000 1.332 1017 Q HN 0.843 nan 8.270 nan 0.000 0.435 1018 L N 1.167 122.446 121.223 0.094 0.000 2.388 1018 L HA 0.725 5.079 4.340 0.024 0.000 0.264 1018 L C -0.929 176.057 176.870 0.193 0.000 0.998 1018 L CA -1.333 53.613 54.840 0.177 0.000 0.817 1018 L CB 2.580 44.724 42.059 0.141 0.000 1.338 1018 L HN 0.457 nan 8.230 nan 0.000 0.414 1019 V N 0.945 121.000 119.914 0.234 0.000 2.444 1019 V HA 0.390 4.525 4.120 0.024 0.000 0.294 1019 V C -1.165 175.098 176.094 0.283 0.000 1.022 1019 V CA -0.412 62.025 62.300 0.229 0.000 0.850 1019 V CB 1.963 33.893 31.823 0.179 0.000 0.992 1019 V HN 0.587 nan 8.190 nan 0.000 0.426 1020 W N 6.962 128.318 121.300 0.092 0.000 2.529 1020 W HA 0.742 5.416 4.660 0.024 0.000 0.321 1020 W C -0.319 176.203 176.519 0.005 0.000 1.047 1020 W CA -1.094 56.239 57.345 -0.020 0.000 1.216 1020 W CB 1.532 31.041 29.460 0.081 0.000 1.357 1020 W HN 0.873 nan 8.180 nan 0.000 0.489 1021 C N 3.771 123.333 119.300 0.437 0.000 3.306 1021 C HA 0.602 5.076 4.460 0.024 0.000 0.335 1021 C C -0.488 174.612 174.990 0.184 0.000 1.382 1021 C CA -0.888 58.300 59.018 0.283 0.000 1.254 1021 C CB 1.400 29.244 27.740 0.175 0.000 1.555 1021 C HN 0.773 nan 8.230 nan 0.000 0.463 1022 Q N 1.469 121.338 119.800 0.115 0.000 2.199 1022 Q HA 0.769 5.123 4.340 0.024 0.000 0.232 1022 Q C -0.442 175.555 176.000 -0.006 0.000 0.969 1022 Q CA -0.288 55.525 55.803 0.015 0.000 0.925 1022 Q CB 1.287 30.015 28.738 -0.017 0.000 1.198 1022 Q HN 0.880 nan 8.270 nan 0.000 0.494 1023 K N 0.000 120.372 120.400 -0.047 0.000 2.780 1023 K HA 0.000 4.334 4.320 0.024 0.000 0.191 1023 K CA 0.000 56.268 56.287 -0.032 0.000 0.838 1023 K CB 0.000 32.484 32.500 -0.027 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543