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 1hn1_1_C DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP 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 0.000 176.106 176.300 -0.323 0.000 0.893 13 R CA 0.000 55.991 56.100 -0.182 0.000 0.921 13 R CB 0.000 30.199 30.300 -0.168 0.000 0.687 14 R N 2.264 122.485 120.500 -0.466 0.000 3.079 14 R HA -0.128 4.225 4.340 0.021 0.000 0.254 14 R C -0.279 175.442 176.300 -0.964 0.000 0.900 14 R CA 0.823 56.120 56.100 -1.339 0.000 0.641 14 R CB -1.380 28.237 30.300 -1.138 0.000 1.307 14 R HN 0.446 nan 8.270 nan 0.000 0.477 15 D N 0.227 120.338 120.400 -0.481 0.000 2.218 15 D HA -0.183 4.470 4.640 0.021 0.000 0.204 15 D C 1.724 177.975 176.300 -0.081 0.000 0.976 15 D CA 1.883 55.662 54.000 -0.369 0.000 0.853 15 D CB -0.089 40.199 40.800 -0.854 0.000 0.939 15 D HN 0.756 nan 8.370 nan 0.000 0.481 16 W N 1.908 123.236 121.300 0.047 0.000 2.611 16 W HA 0.047 4.720 4.660 0.021 0.000 0.251 16 W C 0.785 177.389 176.519 0.141 0.000 1.265 16 W CA 0.007 57.470 57.345 0.198 0.000 1.295 16 W CB -0.267 29.345 29.460 0.253 0.000 1.129 16 W HN -0.201 nan 8.180 nan 0.000 0.630 17 E N 1.246 121.229 120.200 -0.362 0.000 2.542 17 E HA 0.061 4.424 4.350 0.021 0.000 0.224 17 E C -0.700 175.740 176.600 -0.267 0.000 1.110 17 E CA -0.205 56.046 56.400 -0.248 0.000 1.350 17 E CB -0.415 29.098 29.700 -0.312 0.000 1.302 17 E HN 0.070 nan 8.360 nan 0.000 0.435 18 N N 0.858 119.455 118.700 -0.170 0.000 2.599 18 N HA 0.128 4.880 4.740 0.021 0.000 0.283 18 N C -2.417 172.959 175.510 -0.224 0.000 1.160 18 N CA -1.919 50.992 53.050 -0.232 0.000 0.869 18 N CB 1.482 39.833 38.487 -0.226 0.000 1.448 18 N HN -0.197 nan 8.380 nan 0.000 0.535 19 P HA 0.047 nan 4.420 nan 0.000 0.228 19 P C 1.134 178.192 177.300 -0.403 0.000 1.151 19 P CA 0.757 63.490 63.100 -0.610 0.000 0.770 19 P CB 0.222 30.987 31.700 -1.557 0.000 0.786 20 G N -0.163 108.446 108.800 -0.318 0.000 2.394 20 G HA2 -0.044 3.929 3.960 0.021 0.000 0.214 20 G HA3 -0.044 3.929 3.960 0.021 0.000 0.214 20 G C 0.331 175.155 174.900 -0.127 0.000 1.176 20 G CA 0.267 45.235 45.100 -0.219 0.000 0.786 20 G HN 0.194 nan 8.290 nan 0.000 0.533 21 V N 1.346 121.203 119.914 -0.096 0.000 2.370 21 V HA 0.447 4.579 4.120 0.021 0.000 0.279 21 V C 0.965 177.124 176.094 0.108 0.000 1.029 21 V CA 0.458 62.753 62.300 -0.008 0.000 0.870 21 V CB 1.397 33.190 31.823 -0.050 0.000 0.984 21 V HN 0.423 nan 8.190 nan 0.000 0.451 22 T N 0.763 115.405 114.554 0.147 0.000 3.058 22 T HA 0.390 4.753 4.350 0.021 0.000 0.278 22 T C 0.065 174.844 174.700 0.132 0.000 0.974 22 T CA 0.138 62.337 62.100 0.164 0.000 0.893 22 T CB 0.349 69.246 68.868 0.050 0.000 1.138 22 T HN 0.753 nan 8.240 nan 0.000 0.529 23 Q N 0.400 120.346 119.800 0.244 0.000 2.848 23 Q HA 0.652 5.005 4.340 0.021 0.000 0.288 23 Q C -2.537 173.631 176.000 0.279 0.000 0.907 23 Q CA -1.043 54.886 55.803 0.210 0.000 0.792 23 Q CB 0.570 29.333 28.738 0.041 0.000 1.534 23 Q HN 0.223 nan 8.270 nan 0.000 0.419 24 L N 1.999 123.396 121.223 0.289 0.000 2.470 24 L HA 0.619 4.972 4.340 0.021 0.000 0.268 24 L C -0.678 176.320 176.870 0.215 0.000 0.964 24 L CA -0.789 54.207 54.840 0.259 0.000 0.839 24 L CB 2.096 44.386 42.059 0.385 0.000 1.276 24 L HN 0.875 nan 8.230 nan 0.000 0.403 25 N N 0.310 119.112 118.700 0.170 0.000 2.741 25 N HA -0.227 4.526 4.740 0.021 0.000 0.251 25 N C 0.090 175.743 175.510 0.238 0.000 1.112 25 N CA 0.685 53.838 53.050 0.172 0.000 0.750 25 N CB -0.940 37.616 38.487 0.115 0.000 1.119 25 N HN 0.718 nan 8.380 nan 0.000 0.561 26 R N 0.580 121.137 120.500 0.095 0.000 2.410 26 R HA 0.482 4.835 4.340 0.021 0.000 0.288 26 R C 0.724 176.920 176.300 -0.173 0.000 1.051 26 R CA -0.467 55.476 56.100 -0.262 0.000 1.021 26 R CB 0.721 30.854 30.300 -0.278 0.000 1.032 26 R HN 0.116 nan 8.270 nan 0.000 0.481 27 L N 2.125 123.204 121.223 -0.241 0.000 2.490 27 L HA 0.383 4.735 4.340 0.021 0.000 0.245 27 L C 0.663 177.504 176.870 -0.047 0.000 1.185 27 L CA -0.683 54.107 54.840 -0.084 0.000 0.813 27 L CB 0.734 42.769 42.059 -0.040 0.000 1.233 27 L HN 0.749 nan 8.230 nan 0.000 0.489 28 A N 0.324 123.161 122.820 0.030 0.000 2.346 28 A HA 0.562 4.894 4.320 0.021 0.000 0.252 28 A C -0.063 177.587 177.584 0.109 0.000 1.089 28 A CA -0.028 52.043 52.037 0.058 0.000 0.797 28 A CB 0.330 19.383 19.000 0.089 0.000 1.047 28 A HN 0.724 nan 8.150 nan 0.000 0.494 29 A N 0.585 123.426 122.820 0.034 0.000 2.303 29 A HA 0.769 5.102 4.320 0.021 0.000 0.317 29 A C -0.197 177.366 177.584 -0.034 0.000 1.149 29 A CA -0.011 51.969 52.037 -0.095 0.000 0.822 29 A CB 0.150 19.082 19.000 -0.114 0.000 1.131 29 A HN 1.708 nan 8.150 nan 0.000 0.493 30 H N -1.111 117.842 119.070 -0.194 0.000 2.950 30 H HA 0.638 5.206 4.556 0.021 0.000 0.307 30 H C -3.334 171.729 175.328 -0.441 0.000 1.403 30 H CA -1.875 53.989 56.048 -0.307 0.000 1.145 30 H CB 0.222 29.735 29.762 -0.415 0.000 1.844 30 H HN 0.385 nan 8.280 nan 0.000 0.515 31 P HA 0.155 nan 4.420 nan 0.000 0.271 31 P C -2.548 174.485 177.300 -0.446 0.000 1.244 31 P CA -1.295 61.563 63.100 -0.405 0.000 0.793 31 P CB -0.422 30.973 31.700 -0.509 0.000 0.984 32 P HA 0.128 nan 4.420 nan 0.000 0.268 32 P C -0.724 176.718 177.300 0.236 0.000 1.204 32 P CA 0.875 63.961 63.100 -0.022 0.000 0.768 32 P CB 0.067 31.817 31.700 0.084 0.000 0.842 33 F N 0.974 121.053 119.950 0.216 0.000 2.546 33 F HA 0.586 5.126 4.527 0.022 0.000 0.320 33 F C 0.859 176.665 175.800 0.010 0.000 1.076 33 F CA -1.001 57.098 58.000 0.165 0.000 0.928 33 F CB 2.314 41.403 39.000 0.149 0.000 1.189 33 F HN 0.239 nan 8.300 nan 0.000 0.465 34 A N 0.801 123.659 122.820 0.062 0.000 2.701 34 A HA 0.226 4.559 4.320 0.021 0.000 0.241 34 A C 0.542 177.896 177.584 -0.383 0.000 1.231 34 A CA 0.244 52.081 52.037 -0.333 0.000 1.003 34 A CB -0.110 18.335 19.000 -0.926 0.000 1.281 34 A HN 0.716 nan 8.150 nan 0.000 0.600 35 S N 0.813 116.397 115.700 -0.192 0.000 3.292 35 S HA -0.161 4.322 4.470 0.021 0.000 0.360 35 S C 0.094 174.638 174.600 -0.094 0.000 0.930 35 S CA 0.376 58.486 58.200 -0.149 0.000 1.317 35 S CB -1.382 61.694 63.200 -0.206 0.000 0.920 35 S HN 0.445 nan 8.310 nan 0.000 0.540 36 W N 2.435 123.713 121.300 -0.037 0.000 2.137 36 W HA 0.204 4.876 4.660 0.021 0.000 0.344 36 W C 1.532 178.033 176.519 -0.031 0.000 1.286 36 W CA -0.507 56.827 57.345 -0.018 0.000 1.240 36 W CB 0.337 29.790 29.460 -0.013 0.000 1.141 36 W HN 0.444 nan 8.180 nan 0.000 0.579 37 R N 1.553 122.197 120.500 0.240 0.000 2.437 37 R HA 0.067 4.420 4.340 0.021 0.000 0.257 37 R C 0.061 176.428 176.300 0.113 0.000 0.927 37 R CA 0.000 56.178 56.100 0.130 0.000 1.078 37 R CB 0.313 30.655 30.300 0.071 0.000 1.161 37 R HN 0.364 nan 8.270 nan 0.000 0.529 38 N N 0.180 118.969 118.700 0.147 0.000 2.397 38 N HA 0.096 4.849 4.740 0.021 0.000 0.291 38 N C -0.015 175.488 175.510 -0.012 0.000 1.065 38 N CA -0.026 53.063 53.050 0.064 0.000 0.884 38 N CB 2.004 40.527 38.487 0.060 0.000 1.551 38 N HN -0.275 nan 8.380 nan 0.000 0.487 39 S N 2.634 118.294 115.700 -0.066 0.000 2.359 39 S HA -0.196 4.286 4.470 0.021 0.000 0.224 39 S C 1.403 175.842 174.600 -0.269 0.000 1.035 39 S CA 1.491 59.596 58.200 -0.158 0.000 1.018 39 S CB -0.198 62.939 63.200 -0.105 0.000 0.876 39 S HN 0.768 nan 8.310 nan 0.000 0.448 40 E N 1.416 121.492 120.200 -0.207 0.000 2.086 40 E HA -0.239 4.124 4.350 0.021 0.000 0.200 40 E C 1.972 178.405 176.600 -0.279 0.000 1.012 40 E CA 1.844 58.097 56.400 -0.244 0.000 0.812 40 E CB -0.213 29.387 29.700 -0.167 0.000 0.743 40 E HN 0.728 nan 8.360 nan 0.000 0.453 41 E N -0.040 120.029 120.200 -0.217 0.000 2.077 41 E HA -0.200 4.162 4.350 0.021 0.000 0.193 41 E C 2.184 178.330 176.600 -0.756 0.000 0.989 41 E CA 1.022 57.297 56.400 -0.207 0.000 0.800 41 E CB -0.331 29.479 29.700 0.182 0.000 0.746 41 E HN 0.334 nan 8.360 nan 0.000 0.452 42 A N 1.860 123.925 122.820 -1.259 0.000 1.877 42 A HA -0.191 4.141 4.320 0.021 0.000 0.216 42 A C 2.237 179.220 177.584 -1.001 0.000 1.186 42 A CA 1.635 52.525 52.037 -1.911 0.000 0.620 42 A CB -0.554 17.786 19.000 -1.099 0.000 0.822 42 A HN 0.110 nan 8.150 nan 0.000 0.443 43 R N -0.438 119.682 120.500 -0.632 0.000 2.127 43 R HA -0.125 4.228 4.340 0.021 0.000 0.238 43 R C 1.452 177.523 176.300 -0.382 0.000 1.134 43 R CA 1.825 57.627 56.100 -0.496 0.000 0.975 43 R CB -0.306 29.629 30.300 -0.609 0.000 0.865 43 R HN 0.658 nan 8.270 nan 0.000 0.447 44 T N -2.694 111.651 114.554 -0.348 0.000 3.251 44 T HA 0.091 4.454 4.350 0.021 0.000 0.259 44 T C 0.138 174.772 174.700 -0.110 0.000 0.998 44 T CA 0.118 62.100 62.100 -0.197 0.000 0.905 44 T CB 0.328 69.107 68.868 -0.149 0.000 1.067 44 T HN 0.207 nan 8.240 nan 0.000 0.569 45 D N 1.350 121.657 120.400 -0.155 0.000 2.839 45 D HA -0.201 4.452 4.640 0.021 0.000 0.229 45 D C 0.236 176.683 176.300 0.245 0.000 1.170 45 D CA 0.667 54.713 54.000 0.077 0.000 0.698 45 D CB -0.983 39.880 40.800 0.106 0.000 1.067 45 D HN 0.629 nan 8.370 nan 0.000 0.422 46 R N 0.125 120.749 120.500 0.206 0.000 2.694 46 R HA 0.331 4.684 4.340 0.021 0.000 0.268 46 R C -2.097 174.477 176.300 0.456 0.000 1.061 46 R CA -1.087 55.174 56.100 0.267 0.000 1.133 46 R CB 0.337 30.740 30.300 0.171 0.000 1.020 46 R HN 0.106 nan 8.270 nan 0.000 0.475 47 P HA -0.016 nan 4.420 nan 0.000 0.271 47 P C -0.671 176.690 177.300 0.101 0.000 1.220 47 P CA -0.073 63.130 63.100 0.171 0.000 0.768 47 P CB 1.111 32.872 31.700 0.101 0.000 0.848 48 S N 2.898 118.487 115.700 -0.184 0.000 2.505 48 S HA 0.060 4.543 4.470 0.021 0.000 0.276 48 S C 1.223 175.747 174.600 -0.127 0.000 1.274 48 S CA -0.190 57.785 58.200 -0.375 0.000 1.053 48 S CB 0.313 62.920 63.200 -0.989 0.000 0.919 48 S HN 0.382 nan 8.310 nan 0.000 0.490 49 Q N 2.213 121.995 119.800 -0.030 0.000 2.226 49 Q HA -0.130 4.223 4.340 0.021 0.000 0.204 49 Q C 1.232 177.297 176.000 0.108 0.000 0.975 49 Q CA 1.405 57.239 55.803 0.052 0.000 0.866 49 Q CB -0.077 28.709 28.738 0.081 0.000 0.915 49 Q HN 0.793 nan 8.270 nan 0.000 0.440 50 Q N -0.341 119.473 119.800 0.022 0.000 2.415 50 Q HA 0.069 4.422 4.340 0.021 0.000 0.206 50 Q C -0.820 175.226 176.000 0.076 0.000 0.946 50 Q CA 0.313 56.133 55.803 0.029 0.000 0.951 50 Q CB 0.373 29.032 28.738 -0.133 0.000 1.026 50 Q HN 0.038 nan 8.270 nan 0.000 0.510 51 L N 0.818 122.079 121.223 0.063 0.000 2.316 51 L HA 0.410 4.763 4.340 0.021 0.000 0.280 51 L C -1.022 175.909 176.870 0.103 0.000 1.006 51 L CA -0.370 54.506 54.840 0.060 0.000 0.836 51 L CB 1.143 43.169 42.059 -0.055 0.000 1.221 51 L HN -0.067 nan 8.230 nan 0.000 0.418 52 R N 2.635 123.217 120.500 0.136 0.000 2.360 52 R HA 0.401 4.754 4.340 0.021 0.000 0.318 52 R C -0.501 175.801 176.300 0.003 0.000 0.950 52 R CA -0.495 55.641 56.100 0.060 0.000 0.837 52 R CB 1.906 32.214 30.300 0.012 0.000 1.165 52 R HN 0.674 nan 8.270 nan 0.000 0.458 53 S N 3.805 119.504 115.700 -0.001 0.000 2.523 53 S HA 0.220 4.703 4.470 0.021 0.000 0.275 53 S C 0.796 175.387 174.600 -0.014 0.000 1.281 53 S CA -0.555 57.640 58.200 -0.009 0.000 1.050 53 S CB 0.477 63.684 63.200 0.011 0.000 0.937 53 S HN 0.593 nan 8.310 nan 0.000 0.492 54 L N 3.672 124.890 121.223 -0.009 0.000 2.872 54 L HA 0.303 4.656 4.340 0.021 0.000 0.245 54 L C -0.024 176.989 176.870 0.239 0.000 1.211 54 L CA -0.466 54.405 54.840 0.051 0.000 1.013 54 L CB -0.626 41.434 42.059 0.000 0.000 1.326 54 L HN 0.524 nan 8.230 nan 0.000 0.525 55 N N 1.512 120.289 118.700 0.129 0.000 2.508 55 N HA 0.540 5.293 4.740 0.021 0.000 0.264 55 N C 0.624 176.258 175.510 0.206 0.000 1.216 55 N CA 0.651 53.782 53.050 0.135 0.000 0.943 55 N CB 1.527 40.029 38.487 0.026 0.000 1.113 55 N HN 0.327 nan 8.380 nan 0.000 0.447 56 G N 0.247 109.204 108.800 0.261 0.000 2.373 56 G HA2 -0.020 3.953 3.960 0.021 0.000 0.250 56 G HA3 -0.020 3.953 3.960 0.021 0.000 0.250 56 G C -1.502 173.628 174.900 0.384 0.000 1.304 56 G CA -0.796 44.462 45.100 0.263 0.000 0.948 56 G HN 0.438 nan 8.290 nan 0.000 0.474 57 E N -0.042 120.342 120.200 0.307 0.000 2.290 57 E HA 0.419 4.782 4.350 0.021 0.000 0.277 57 E C -0.917 175.947 176.600 0.440 0.000 1.035 57 E CA 0.035 56.613 56.400 0.298 0.000 0.873 57 E CB 0.882 30.678 29.700 0.161 0.000 1.029 57 E HN 0.333 nan 8.360 nan 0.000 0.419 58 W N 1.686 123.056 121.300 0.118 0.000 3.207 58 W HA 0.419 5.092 4.660 0.022 0.000 0.326 58 W C 0.008 176.624 176.519 0.162 0.000 1.190 58 W CA -0.649 56.794 57.345 0.164 0.000 1.011 58 W CB 0.756 30.360 29.460 0.239 0.000 1.511 58 W HN 0.210 nan 8.180 nan 0.000 0.606 59 R N 1.082 121.859 120.500 0.462 0.000 2.711 59 R HA 0.670 5.022 4.340 0.021 0.000 0.284 59 R C -1.703 174.837 176.300 0.400 0.000 0.968 59 R CA -0.898 55.406 56.100 0.341 0.000 0.924 59 R CB 2.073 32.520 30.300 0.244 0.000 1.162 59 R HN 0.400 nan 8.270 nan 0.000 0.465 60 F N 0.152 120.118 119.950 0.026 0.000 2.619 60 F HA 0.658 5.197 4.527 0.021 0.000 0.308 60 F C -1.599 174.077 175.800 -0.207 0.000 1.097 60 F CA -0.663 57.220 58.000 -0.196 0.000 0.953 60 F CB 2.203 40.974 39.000 -0.381 0.000 1.287 60 F HN 0.675 nan 8.300 nan 0.000 0.446 61 A N 3.767 125.796 122.820 -1.318 0.000 2.555 61 A HA 0.539 4.872 4.320 0.021 0.000 0.297 61 A C -2.525 174.086 177.584 -1.622 0.000 1.060 61 A CA -0.496 50.842 52.037 -1.164 0.000 0.710 61 A CB 0.503 19.148 19.000 -0.591 0.000 1.282 61 A HN 0.956 nan 8.150 nan 0.000 0.399 62 W N 2.739 123.055 121.300 -1.639 0.000 2.666 62 W HA 0.800 5.473 4.660 0.021 0.000 0.334 62 W C -1.950 173.715 176.519 -1.423 0.000 1.051 62 W CA -0.670 55.867 57.345 -1.346 0.000 1.224 62 W CB 1.353 30.267 29.460 -0.910 0.000 1.405 62 W HN 0.528 nan 8.180 nan 0.000 0.513 63 F N 5.643 125.120 119.950 -0.790 0.000 2.578 63 F HA 0.348 4.888 4.527 0.021 0.000 0.311 63 F C -1.438 173.590 175.800 -1.288 0.000 1.094 63 F CA -2.288 55.317 58.000 -0.658 0.000 0.923 63 F CB 1.668 40.404 39.000 -0.439 0.000 1.230 63 F HN 0.189 nan 8.300 nan 0.000 0.450 64 P HA 0.059 nan 4.420 nan 0.000 0.230 64 P C -0.189 177.014 177.300 -0.162 0.000 1.158 64 P CA 0.974 63.872 63.100 -0.337 0.000 0.769 64 P CB 0.514 32.298 31.700 0.141 0.000 0.807 65 A N -0.949 121.784 122.820 -0.145 0.000 2.612 65 A HA 0.561 4.894 4.320 0.021 0.000 0.293 65 A C -2.470 175.040 177.584 -0.123 0.000 1.075 65 A CA -1.073 50.918 52.037 -0.076 0.000 0.680 65 A CB 0.661 19.674 19.000 0.022 0.000 1.279 65 A HN -0.294 nan 8.150 nan 0.000 0.411 66 P HA -0.016 nan 4.420 nan 0.000 0.218 66 P C 0.681 177.913 177.300 -0.113 0.000 1.152 66 P CA 1.337 64.355 63.100 -0.137 0.000 0.826 66 P CB 0.208 31.835 31.700 -0.122 0.000 0.790 67 E N 0.468 120.649 120.200 -0.032 0.000 2.265 67 E HA -0.075 4.288 4.350 0.021 0.000 0.196 67 E C 1.945 178.489 176.600 -0.093 0.000 0.996 67 E CA 1.226 57.615 56.400 -0.019 0.000 0.832 67 E CB -0.993 28.731 29.700 0.040 0.000 0.756 67 E HN 0.214 nan 8.360 nan 0.000 0.491 68 A N 0.612 123.345 122.820 -0.144 0.000 2.238 68 A HA 0.092 4.425 4.320 0.021 0.000 0.208 68 A C 0.755 178.026 177.584 -0.522 0.000 1.177 68 A CA -0.112 51.806 52.037 -0.199 0.000 0.804 68 A CB 0.015 18.981 19.000 -0.056 0.000 0.823 68 A HN 0.055 nan 8.150 nan 0.000 0.482 69 V N 1.797 121.364 119.914 -0.577 0.000 2.686 69 V HA 0.251 4.384 4.120 0.021 0.000 0.295 69 V C -2.293 173.528 176.094 -0.455 0.000 1.055 69 V CA -1.323 60.493 62.300 -0.806 0.000 1.050 69 V CB 0.595 32.018 31.823 -0.667 0.000 0.984 69 V HN 0.316 nan 8.190 nan 0.000 0.482 70 P HA 0.387 nan 4.420 nan 0.000 0.297 70 P C 0.520 177.775 177.300 -0.075 0.000 1.331 70 P CA -0.557 62.432 63.100 -0.186 0.000 0.803 70 P CB 1.390 33.016 31.700 -0.123 0.000 0.929 71 E N 1.571 121.727 120.200 -0.072 0.000 2.136 71 E HA -0.315 4.047 4.350 0.021 0.000 0.208 71 E C 1.929 178.500 176.600 -0.048 0.000 1.035 71 E CA 2.527 58.888 56.400 -0.065 0.000 0.838 71 E CB -0.238 29.428 29.700 -0.056 0.000 0.748 71 E HN 0.617 nan 8.360 nan 0.000 0.459 72 S N 0.383 116.072 115.700 -0.019 0.000 2.406 72 S HA -0.328 4.155 4.470 0.021 0.000 0.242 72 S C 1.673 176.273 174.600 -0.000 0.000 1.079 72 S CA 1.769 59.967 58.200 -0.004 0.000 1.133 72 S CB -1.149 62.065 63.200 0.024 0.000 1.005 72 S HN 0.594 nan 8.310 nan 0.000 0.443 73 W N 2.443 123.664 121.300 -0.131 0.000 2.255 73 W HA -0.251 4.421 4.660 0.021 0.000 0.318 73 W C 1.970 178.395 176.519 -0.156 0.000 1.277 73 W CA 2.273 59.541 57.345 -0.128 0.000 1.286 73 W CB -0.808 28.559 29.460 -0.155 0.000 1.132 73 W HN 0.433 nan 8.180 nan 0.000 0.504 74 L N -0.519 120.449 121.223 -0.424 0.000 2.201 74 L HA -0.140 4.212 4.340 0.021 0.000 0.212 74 L C 2.168 178.810 176.870 -0.380 0.000 1.105 74 L CA 1.738 56.205 54.840 -0.622 0.000 0.775 74 L CB -0.814 40.882 42.059 -0.605 0.000 0.913 74 L HN -0.038 nan 8.230 nan 0.000 0.440 75 E N -1.809 118.248 120.200 -0.238 0.000 2.290 75 E HA 0.088 4.450 4.350 0.021 0.000 0.197 75 E C -0.094 176.435 176.600 -0.119 0.000 0.948 75 E CA 0.091 56.403 56.400 -0.146 0.000 0.895 75 E CB 0.781 30.425 29.700 -0.093 0.000 0.865 75 E HN 0.299 nan 8.360 nan 0.000 0.486 76 C N 0.703 119.940 119.300 -0.105 0.000 2.698 76 C HA 0.407 4.880 4.460 0.021 0.000 0.309 76 C C -1.375 173.611 174.990 -0.008 0.000 1.186 76 C CA -1.066 57.922 59.018 -0.050 0.000 1.474 76 C CB 0.913 28.643 27.740 -0.017 0.000 2.020 76 C HN 0.152 nan 8.230 nan 0.000 0.474 77 D N 3.571 123.983 120.400 0.021 0.000 2.348 77 D HA 0.355 5.008 4.640 0.021 0.000 0.253 77 D C 0.032 176.407 176.300 0.125 0.000 1.161 77 D CA 0.316 54.376 54.000 0.100 0.000 0.876 77 D CB 0.916 41.763 40.800 0.078 0.000 1.160 77 D HN 0.401 nan 8.370 nan 0.000 0.459 78 L N 5.092 126.432 121.223 0.195 0.000 2.483 78 L HA 0.078 4.431 4.340 0.021 0.000 0.275 78 L C -1.044 175.885 176.870 0.098 0.000 1.220 78 L CA -0.603 54.325 54.840 0.146 0.000 0.833 78 L CB 0.018 42.179 42.059 0.170 0.000 1.102 78 L HN 0.342 nan 8.230 nan 0.000 0.490 79 P HA -0.011 nan 4.420 nan 0.000 0.222 79 P C 0.804 178.130 177.300 0.045 0.000 1.157 79 P CA 0.634 63.766 63.100 0.053 0.000 0.816 79 P CB 0.240 31.965 31.700 0.042 0.000 0.813 80 E N 0.784 121.009 120.200 0.042 0.000 2.268 80 E HA 0.074 4.437 4.350 0.021 0.000 0.195 80 E C 1.042 177.652 176.600 0.016 0.000 0.995 80 E CA 0.266 56.679 56.400 0.022 0.000 0.836 80 E CB -1.308 28.398 29.700 0.009 0.000 0.763 80 E HN 0.146 nan 8.360 nan 0.000 0.491 81 A N 1.699 124.537 122.820 0.029 0.000 2.603 81 A HA -0.077 4.256 4.320 0.021 0.000 0.235 81 A C 0.142 177.769 177.584 0.071 0.000 1.035 81 A CA 0.427 52.484 52.037 0.035 0.000 0.755 81 A CB 0.069 19.120 19.000 0.085 0.000 0.954 81 A HN 0.043 nan 8.150 nan 0.000 0.511 82 D N 0.414 120.877 120.400 0.105 0.000 2.385 82 D HA 0.480 5.133 4.640 0.021 0.000 0.254 82 D C -0.474 175.930 176.300 0.174 0.000 1.053 82 D CA 0.114 54.206 54.000 0.152 0.000 0.992 82 D CB 1.529 42.477 40.800 0.247 0.000 1.145 82 D HN 0.451 nan 8.370 nan 0.000 0.523 83 T N 0.740 115.380 114.554 0.143 0.000 2.821 83 T HA 0.372 4.735 4.350 0.021 0.000 0.307 83 T C -0.099 174.670 174.700 0.114 0.000 1.034 83 T CA -0.556 61.629 62.100 0.142 0.000 0.953 83 T CB 0.674 69.607 68.868 0.109 0.000 0.968 83 T HN 0.224 nan 8.240 nan 0.000 0.462 84 V N 3.093 123.097 119.914 0.149 0.000 2.881 84 V HA 0.829 4.962 4.120 0.021 0.000 0.316 84 V C -0.346 175.835 176.094 0.146 0.000 1.070 84 V CA -0.634 61.709 62.300 0.073 0.000 0.976 84 V CB 1.881 33.746 31.823 0.071 0.000 1.038 84 V HN 0.498 nan 8.190 nan 0.000 0.446 85 V N 3.634 123.617 119.914 0.114 0.000 2.644 85 V HA 0.570 4.703 4.120 0.021 0.000 0.295 85 V C -0.102 176.036 176.094 0.073 0.000 1.053 85 V CA -0.207 62.163 62.300 0.117 0.000 0.987 85 V CB 1.645 33.509 31.823 0.069 0.000 1.006 85 V HN 0.815 nan 8.190 nan 0.000 0.472 86 V N 5.289 125.164 119.914 -0.066 0.000 2.588 86 V HA 0.439 4.572 4.120 0.021 0.000 0.304 86 V C -2.497 173.475 176.094 -0.204 0.000 1.042 86 V CA -1.865 60.272 62.300 -0.273 0.000 0.877 86 V CB 2.143 33.479 31.823 -0.813 0.000 0.996 86 V HN 0.754 nan 8.190 nan 0.000 0.425 87 P HA 0.404 nan 4.420 nan 0.000 0.275 87 P C -0.724 176.482 177.300 -0.157 0.000 1.228 87 P CA -0.078 62.889 63.100 -0.221 0.000 0.786 87 P CB 1.126 32.697 31.700 -0.214 0.000 0.927 88 S N 0.774 116.389 115.700 -0.142 0.000 2.570 88 S HA 0.428 4.911 4.470 0.021 0.000 0.270 88 S C -1.152 173.355 174.600 -0.155 0.000 1.149 88 S CA -0.907 57.190 58.200 -0.172 0.000 0.837 88 S CB 0.977 64.062 63.200 -0.191 0.000 1.124 88 S HN 0.333 nan 8.310 nan 0.000 0.465 89 N N 1.602 120.152 118.700 -0.250 0.000 2.816 89 N HA 0.266 5.019 4.740 0.021 0.000 0.236 89 N C 0.854 176.202 175.510 -0.270 0.000 1.076 89 N CA -0.791 52.117 53.050 -0.236 0.000 0.902 89 N CB 0.377 38.738 38.487 -0.209 0.000 1.149 89 N HN 0.799 nan 8.380 nan 0.000 0.506 90 W N 3.390 124.523 121.300 -0.279 0.000 2.235 90 W HA -0.371 4.302 4.660 0.022 0.000 0.330 90 W C 1.010 177.560 176.519 0.052 0.000 1.329 90 W CA 1.592 58.822 57.345 -0.192 0.000 1.337 90 W CB -0.528 28.787 29.460 -0.242 0.000 1.115 90 W HN 0.456 nan 8.180 nan 0.000 0.491 91 Q N -0.061 119.762 119.800 0.039 0.000 2.439 91 Q HA -0.134 4.218 4.340 0.021 0.000 0.211 91 Q C 2.198 178.236 176.000 0.063 0.000 0.978 91 Q CA 1.814 57.681 55.803 0.107 0.000 0.897 91 Q CB -0.533 28.156 28.738 -0.081 0.000 0.956 91 Q HN 0.357 nan 8.270 nan 0.000 0.483 92 M N -0.957 118.634 119.600 -0.015 0.000 2.200 92 M HA -0.082 4.411 4.480 0.021 0.000 0.265 92 M C 0.988 177.394 176.300 0.177 0.000 1.066 92 M CA 1.618 56.918 55.300 -0.000 0.000 1.127 92 M CB -0.676 31.873 32.600 -0.084 0.000 1.379 92 M HN 0.372 nan 8.290 nan 0.000 0.420 93 H N -0.551 118.622 119.070 0.172 0.000 2.524 93 H HA 0.275 4.844 4.556 0.022 0.000 0.280 93 H C 0.774 176.144 175.328 0.070 0.000 1.018 93 H CA -0.104 56.044 56.048 0.166 0.000 1.165 93 H CB -0.134 29.834 29.762 0.344 0.000 1.411 93 H HN 0.558 nan 8.280 nan 0.000 0.569 94 G N 1.062 109.996 108.800 0.222 0.000 2.393 94 G HA2 -0.344 3.628 3.960 0.021 0.000 0.299 94 G HA3 -0.344 3.628 3.960 0.021 0.000 0.299 94 G C 0.028 174.933 174.900 0.008 0.000 0.990 94 G CA 0.461 45.630 45.100 0.115 0.000 1.118 94 G HN 0.504 nan 8.290 nan 0.000 0.513 95 Y N 0.482 120.875 120.300 0.156 0.000 2.314 95 Y HA 0.176 4.739 4.550 0.021 0.000 0.294 95 Y C 1.700 177.478 175.900 -0.203 0.000 1.119 95 Y CA 1.213 59.258 58.100 -0.092 0.000 1.179 95 Y CB 0.211 38.622 38.460 -0.082 0.000 1.025 95 Y HN 0.634 nan 8.280 nan 0.000 0.541 96 D N -1.187 119.431 120.400 0.363 0.000 2.758 96 D HA 0.558 5.211 4.640 0.021 0.000 0.279 96 D C -0.810 175.635 176.300 0.241 0.000 1.111 96 D CA -1.100 53.086 54.000 0.309 0.000 1.109 96 D CB 0.863 42.025 40.800 0.603 0.000 1.428 96 D HN -0.047 nan 8.370 nan 0.000 0.586 97 A N -0.272 122.686 122.820 0.231 0.000 2.310 97 A HA 0.667 5.000 4.320 0.021 0.000 0.299 97 A C -2.423 175.236 177.584 0.126 0.000 1.147 97 A CA -1.225 50.928 52.037 0.193 0.000 0.818 97 A CB 0.352 19.494 19.000 0.237 0.000 1.096 97 A HN 0.513 nan 8.150 nan 0.000 0.495 98 P HA 0.530 nan 4.420 nan 0.000 0.294 98 P C -1.032 176.393 177.300 0.210 0.000 1.294 98 P CA -0.179 62.891 63.100 -0.050 0.000 0.827 98 P CB 1.046 32.484 31.700 -0.436 0.000 0.992 99 I N 3.595 124.361 120.570 0.326 0.000 2.377 99 I HA 0.271 4.454 4.170 0.021 0.000 0.293 99 I C -0.208 176.070 176.117 0.269 0.000 0.987 99 I CA -0.767 60.732 61.300 0.332 0.000 1.185 99 I CB 1.121 39.249 38.000 0.213 0.000 1.341 99 I HN 0.306 nan 8.210 nan 0.000 0.455 100 Y N 6.203 126.436 120.300 -0.111 0.000 2.712 100 Y HA 0.528 5.090 4.550 0.021 0.000 0.328 100 Y C -0.273 175.424 175.900 -0.339 0.000 0.995 100 Y CA -0.371 57.337 58.100 -0.653 0.000 1.283 100 Y CB 0.975 38.252 38.460 -1.971 0.000 1.092 100 Y HN 0.585 nan 8.280 nan 0.000 0.519 101 T N 4.268 118.179 114.554 -1.072 0.000 2.893 101 T HA 0.272 4.635 4.350 0.021 0.000 0.291 101 T C 0.091 174.218 174.700 -0.955 0.000 1.028 101 T CA -0.555 61.035 62.100 -0.851 0.000 0.995 101 T CB 1.325 69.953 68.868 -0.400 0.000 1.051 101 T HN 0.723 nan 8.240 nan 0.000 0.470 102 N N 2.318 120.568 118.700 -0.749 0.000 2.349 102 N HA 0.049 4.802 4.740 0.021 0.000 0.202 102 N C 1.669 176.884 175.510 -0.492 0.000 1.041 102 N CA 1.411 54.143 53.050 -0.531 0.000 0.970 102 N CB -0.637 37.577 38.487 -0.455 0.000 1.173 102 N HN 0.404 nan 8.380 nan 0.000 0.493 103 V N 0.823 120.389 119.914 -0.579 0.000 2.379 103 V HA 0.039 4.172 4.120 0.021 0.000 0.243 103 V C 0.410 176.175 176.094 -0.549 0.000 1.035 103 V CA 1.051 62.934 62.300 -0.695 0.000 1.035 103 V CB -0.887 30.464 31.823 -0.787 0.000 0.673 103 V HN 0.340 nan 8.190 nan 0.000 0.457 104 T N 1.427 115.734 114.554 -0.412 0.000 2.792 104 T HA 0.076 4.439 4.350 0.021 0.000 0.286 104 T C -0.311 174.249 174.700 -0.234 0.000 0.970 104 T CA 0.254 62.190 62.100 -0.272 0.000 1.187 104 T CB -0.566 68.175 68.868 -0.213 0.000 0.915 104 T HN 0.205 nan 8.240 nan 0.000 0.529 105 Y N 5.035 125.227 120.300 -0.180 0.000 2.712 105 Y HA 0.129 4.692 4.550 0.021 0.000 0.333 105 Y C -0.918 174.850 175.900 -0.221 0.000 1.225 105 Y CA -1.776 56.211 58.100 -0.188 0.000 1.499 105 Y CB 0.465 38.816 38.460 -0.181 0.000 1.288 105 Y HN 0.491 nan 8.280 nan 0.000 0.575 106 P HA 0.094 nan 4.420 nan 0.000 0.253 106 P C -0.727 176.362 177.300 -0.351 0.000 1.508 106 P CA 0.725 63.729 63.100 -0.160 0.000 0.883 106 P CB -0.431 31.226 31.700 -0.071 0.000 1.519 107 I N -6.096 114.258 120.570 -0.361 0.000 2.947 107 I HA 0.409 4.592 4.170 0.021 0.000 0.301 107 I C -1.137 174.833 176.117 -0.245 0.000 1.453 107 I CA -1.099 59.937 61.300 -0.440 0.000 0.984 107 I CB 1.831 39.347 38.000 -0.807 0.000 1.333 107 I HN -0.462 nan 8.210 nan 0.000 0.475 108 T N 3.063 117.514 114.554 -0.172 0.000 2.888 108 T HA 0.243 4.606 4.350 0.021 0.000 0.301 108 T C 0.238 174.910 174.700 -0.046 0.000 1.001 108 T CA -0.311 61.743 62.100 -0.078 0.000 1.147 108 T CB 0.713 69.561 68.868 -0.034 0.000 0.931 108 T HN 0.401 nan 8.240 nan 0.000 0.541 109 V N 4.518 124.429 119.914 -0.005 0.000 2.403 109 V HA 0.198 4.330 4.120 0.021 0.000 0.265 109 V C 0.734 176.899 176.094 0.120 0.000 1.034 109 V CA -0.128 62.214 62.300 0.071 0.000 1.036 109 V CB -0.542 31.294 31.823 0.023 0.000 1.032 109 V HN 0.938 nan 8.190 nan 0.000 0.478 110 N N 5.641 124.494 118.700 0.254 0.000 2.805 110 N HA 0.251 5.004 4.740 0.021 0.000 0.216 110 N C -3.097 172.593 175.510 0.301 0.000 1.447 110 N CA -1.027 52.165 53.050 0.236 0.000 0.785 110 N CB 1.360 39.989 38.487 0.237 0.000 1.458 110 N HN 0.258 nan 8.380 nan 0.000 0.547 111 P HA 0.134 nan 4.420 nan 0.000 0.264 111 P C -2.473 174.674 177.300 -0.256 0.000 1.183 111 P CA -0.662 62.078 63.100 -0.600 0.000 0.763 111 P CB 0.427 31.636 31.700 -0.818 0.000 0.807 112 P HA 0.314 nan 4.420 nan 0.000 0.269 112 P C -0.967 176.267 177.300 -0.111 0.000 1.857 112 P CA -0.322 62.632 63.100 -0.244 0.000 1.213 112 P CB 0.030 31.595 31.700 -0.225 0.000 1.702 113 F N 0.619 120.746 119.950 0.295 0.000 2.397 113 F HA 0.470 5.010 4.527 0.022 0.000 0.331 113 F C 1.094 177.043 175.800 0.248 0.000 1.090 113 F CA -1.165 56.975 58.000 0.233 0.000 1.065 113 F CB 1.483 40.556 39.000 0.122 0.000 1.184 113 F HN -0.189 nan 8.300 nan 0.000 0.499 114 V N 0.100 120.263 119.914 0.416 0.000 2.960 114 V HA 0.722 4.854 4.120 0.021 0.000 0.315 114 V C -2.682 173.568 176.094 0.259 0.000 1.087 114 V CA -2.922 59.531 62.300 0.255 0.000 0.982 114 V CB 1.515 33.535 31.823 0.328 0.000 1.039 114 V HN 0.502 nan 8.190 nan 0.000 0.437 115 P HA 0.064 nan 4.420 nan 0.000 0.266 115 P C 1.170 178.616 177.300 0.243 0.000 1.186 115 P CA 0.938 64.123 63.100 0.142 0.000 0.767 115 P CB 0.375 32.117 31.700 0.071 0.000 0.820 116 T N -1.365 113.304 114.554 0.191 0.000 2.867 116 T HA -0.121 4.242 4.350 0.021 0.000 0.268 116 T C 0.564 175.379 174.700 0.192 0.000 1.057 116 T CA 0.887 63.104 62.100 0.194 0.000 1.136 116 T CB -0.580 68.368 68.868 0.133 0.000 0.874 116 T HN 0.389 nan 8.240 nan 0.000 0.466 117 E N 2.633 122.947 120.200 0.190 0.000 1.802 117 E HA 0.258 4.621 4.350 0.021 0.000 0.265 117 E C -0.625 176.152 176.600 0.294 0.000 1.168 117 E CA -0.371 56.152 56.400 0.205 0.000 1.033 117 E CB -0.083 29.733 29.700 0.194 0.000 1.095 117 E HN 0.315 nan 8.360 nan 0.000 0.436 118 N N 3.462 122.302 118.700 0.234 0.000 2.576 118 N HA 0.233 4.986 4.740 0.021 0.000 0.269 118 N C -2.893 172.613 175.510 -0.005 0.000 1.058 118 N CA -2.614 50.584 53.050 0.247 0.000 0.860 118 N CB 1.112 39.791 38.487 0.320 0.000 1.249 118 N HN -0.017 nan 8.380 nan 0.000 0.525 119 P HA 0.102 nan 4.420 nan 0.000 0.263 119 P C -0.807 176.337 177.300 -0.261 0.000 1.195 119 P CA 0.285 63.221 63.100 -0.274 0.000 0.762 119 P CB 0.503 32.263 31.700 0.100 0.000 0.799 120 T N 2.256 116.452 114.554 -0.596 0.000 2.876 120 T HA 0.648 5.011 4.350 0.021 0.000 0.289 120 T C 0.079 174.305 174.700 -0.791 0.000 1.014 120 T CA -0.616 61.217 62.100 -0.445 0.000 0.986 120 T CB 1.899 70.572 68.868 -0.324 0.000 1.021 120 T HN 0.352 nan 8.240 nan 0.000 0.458 121 G N 0.526 108.951 108.800 -0.625 0.000 2.487 121 G HA2 0.502 4.475 3.960 0.021 0.000 0.314 121 G HA3 0.502 4.475 3.960 0.021 0.000 0.314 121 G C -0.468 174.333 174.900 -0.164 0.000 1.267 121 G CA -0.414 44.282 45.100 -0.673 0.000 0.937 121 G HN 0.895 nan 8.290 nan 0.000 0.481 122 C N 3.050 122.010 119.300 -0.566 0.000 2.203 122 C HA 0.429 4.902 4.460 0.021 0.000 0.325 122 C C -0.624 174.498 174.990 0.221 0.000 1.156 122 C CA -0.885 57.932 59.018 -0.336 0.000 1.597 122 C CB -1.865 25.255 27.740 -1.032 0.000 2.148 122 C HN 0.613 nan 8.230 nan 0.000 0.472 123 Y N 1.951 122.635 120.300 0.639 0.000 2.341 123 Y HA 0.530 5.093 4.550 0.022 0.000 0.337 123 Y C 0.731 177.135 175.900 0.840 0.000 1.014 123 Y CA -0.038 58.529 58.100 0.778 0.000 1.111 123 Y CB 1.332 40.192 38.460 0.667 0.000 1.194 123 Y HN 0.630 nan 8.280 nan 0.000 0.462 124 S N 4.130 120.306 115.700 0.794 0.000 2.547 124 S HA 0.760 5.243 4.470 0.021 0.000 0.281 124 S C -1.644 173.021 174.600 0.108 0.000 1.118 124 S CA -0.794 57.647 58.200 0.402 0.000 0.947 124 S CB 2.190 65.579 63.200 0.315 0.000 1.053 124 S HN 0.536 nan 8.310 nan 0.000 0.482 125 L N 1.463 122.585 121.223 -0.168 0.000 2.493 125 L HA 0.708 5.061 4.340 0.021 0.000 0.265 125 L C -1.165 175.634 176.870 -0.119 0.000 0.954 125 L CA 0.122 54.669 54.840 -0.487 0.000 0.844 125 L CB 2.320 43.463 42.059 -1.527 0.000 1.302 125 L HN 0.731 nan 8.230 nan 0.000 0.405 126 T N 5.820 120.317 114.554 -0.095 0.000 2.758 126 T HA 0.726 5.088 4.350 0.021 0.000 0.285 126 T C -0.845 173.870 174.700 0.024 0.000 0.981 126 T CA -0.025 62.041 62.100 -0.056 0.000 0.965 126 T CB 0.222 69.031 68.868 -0.100 0.000 0.927 126 T HN 0.459 nan 8.240 nan 0.000 0.448 127 F N 1.314 121.168 119.950 -0.160 0.000 2.664 127 F HA 0.766 5.306 4.527 0.022 0.000 0.317 127 F C -0.622 175.105 175.800 -0.122 0.000 1.108 127 F CA -1.602 56.311 58.000 -0.145 0.000 0.957 127 F CB 1.255 40.156 39.000 -0.164 0.000 1.365 127 F HN 0.362 nan 8.300 nan 0.000 0.475 128 N N -0.020 118.662 118.700 -0.031 0.000 2.487 128 N HA 0.631 5.384 4.740 0.021 0.000 0.292 128 N C -1.998 173.489 175.510 -0.039 0.000 1.108 128 N CA -0.457 52.528 53.050 -0.108 0.000 0.956 128 N CB 1.943 40.378 38.487 -0.087 0.000 1.176 128 N HN 0.652 nan 8.380 nan 0.000 0.484 129 V N 2.459 122.296 119.914 -0.127 0.000 2.482 129 V HA 0.213 4.346 4.120 0.021 0.000 0.295 129 V C -0.577 175.398 176.094 -0.199 0.000 1.026 129 V CA -0.979 61.222 62.300 -0.164 0.000 0.856 129 V CB 1.363 33.160 31.823 -0.043 0.000 1.001 129 V HN 0.786 nan 8.190 nan 0.000 0.424 130 D N 3.031 123.218 120.400 -0.355 0.000 2.443 130 D HA -0.016 4.637 4.640 0.021 0.000 0.239 130 D C 1.138 177.407 176.300 -0.052 0.000 1.136 130 D CA 0.195 54.071 54.000 -0.206 0.000 0.879 130 D CB 1.697 42.362 40.800 -0.225 0.000 1.195 130 D HN 0.742 nan 8.370 nan 0.000 0.443 131 E N 2.309 122.506 120.200 -0.004 0.000 2.070 131 E HA -0.244 4.119 4.350 0.021 0.000 0.197 131 E C 1.704 178.366 176.600 0.103 0.000 1.004 131 E CA 2.362 58.790 56.400 0.046 0.000 0.805 131 E CB -0.436 29.282 29.700 0.029 0.000 0.744 131 E HN 0.488 nan 8.360 nan 0.000 0.451 132 S N -0.687 115.080 115.700 0.112 0.000 2.407 132 S HA -0.217 4.266 4.470 0.021 0.000 0.235 132 S C 1.819 176.519 174.600 0.167 0.000 1.036 132 S CA 1.345 59.626 58.200 0.136 0.000 1.013 132 S CB -1.002 62.281 63.200 0.139 0.000 0.820 132 S HN 0.432 nan 8.310 nan 0.000 0.476 133 W N 1.384 122.581 121.300 -0.171 0.000 2.467 133 W HA 0.371 5.044 4.660 0.021 0.000 0.275 133 W C 2.028 178.596 176.519 0.082 0.000 1.239 133 W CA -0.364 56.825 57.345 -0.260 0.000 1.266 133 W CB -0.641 28.712 29.460 -0.178 0.000 1.112 133 W HN 0.289 nan 8.180 nan 0.000 0.576 134 L N -0.841 120.559 121.223 0.294 0.000 2.162 134 L HA -0.121 4.232 4.340 0.021 0.000 0.205 134 L C 2.459 179.421 176.870 0.154 0.000 1.086 134 L CA 0.875 55.841 54.840 0.210 0.000 0.778 134 L CB -0.793 41.354 42.059 0.146 0.000 0.928 134 L HN -0.137 nan 8.230 nan 0.000 0.446 135 Q N 0.038 119.916 119.800 0.130 0.000 1.927 135 Q HA -0.118 4.235 4.340 0.021 0.000 0.210 135 Q C 0.440 176.498 176.000 0.095 0.000 1.001 135 Q CA 1.479 57.338 55.803 0.093 0.000 0.862 135 Q CB 0.212 28.997 28.738 0.078 0.000 0.934 135 Q HN 0.168 nan 8.270 nan 0.000 0.420 136 E N -1.190 119.077 120.200 0.112 0.000 2.235 136 E HA 0.499 4.862 4.350 0.021 0.000 0.265 136 E C -0.006 176.684 176.600 0.150 0.000 0.940 136 E CA 0.351 56.811 56.400 0.100 0.000 0.819 136 E CB 1.396 31.140 29.700 0.073 0.000 1.206 136 E HN 0.510 nan 8.360 nan 0.000 0.409 137 G N 1.524 110.346 108.800 0.036 0.000 2.698 137 G HA2 -0.237 3.736 3.960 0.021 0.000 0.233 137 G HA3 -0.237 3.736 3.960 0.021 0.000 0.233 137 G C -0.590 174.231 174.900 -0.131 0.000 1.352 137 G CA -0.043 44.986 45.100 -0.119 0.000 0.879 137 G HN 0.523 nan 8.290 nan 0.000 0.567 138 Q N -0.201 119.396 119.800 -0.339 0.000 2.333 138 Q HA 0.631 4.983 4.340 0.021 0.000 0.267 138 Q C -0.986 174.892 176.000 -0.204 0.000 1.012 138 Q CA -0.389 55.306 55.803 -0.180 0.000 0.824 138 Q CB 1.550 30.221 28.738 -0.112 0.000 1.290 138 Q HN 0.626 nan 8.270 nan 0.000 0.449 139 T N 5.263 119.871 114.554 0.090 0.000 2.788 139 T HA 0.475 4.838 4.350 0.021 0.000 0.296 139 T C -0.436 174.391 174.700 0.211 0.000 1.009 139 T CA -0.665 61.590 62.100 0.260 0.000 0.949 139 T CB 0.506 69.701 68.868 0.546 0.000 0.946 139 T HN 0.652 nan 8.240 nan 0.000 0.453 140 R N 2.867 123.465 120.500 0.164 0.000 2.873 140 R HA 0.787 5.140 4.340 0.021 0.000 0.264 140 R C -1.145 175.231 176.300 0.127 0.000 1.026 140 R CA -1.046 55.137 56.100 0.139 0.000 1.002 140 R CB 1.573 31.931 30.300 0.097 0.000 1.174 140 R HN 0.495 nan 8.270 nan 0.000 0.488 141 I N 2.867 123.505 120.570 0.113 0.000 2.474 141 I HA 0.423 4.606 4.170 0.021 0.000 0.294 141 I C -1.032 175.110 176.117 0.041 0.000 1.005 141 I CA -1.361 59.955 61.300 0.026 0.000 1.113 141 I CB 1.572 39.573 38.000 0.002 0.000 1.289 141 I HN 0.635 nan 8.210 nan 0.000 0.436 142 I N 6.941 127.452 120.570 -0.098 0.000 2.418 142 I HA 0.326 4.509 4.170 0.021 0.000 0.287 142 I C -1.355 174.671 176.117 -0.151 0.000 1.008 142 I CA -0.526 60.744 61.300 -0.049 0.000 1.104 142 I CB 1.583 39.559 38.000 -0.040 0.000 1.264 142 I HN 0.369 nan 8.210 nan 0.000 0.438 143 F N 4.049 123.971 119.950 -0.045 0.000 2.366 143 F HA 0.305 4.844 4.527 0.021 0.000 0.366 143 F C 1.154 176.845 175.800 -0.183 0.000 1.096 143 F CA -0.613 57.307 58.000 -0.133 0.000 1.060 143 F CB 0.868 39.772 39.000 -0.160 0.000 1.282 143 F HN 0.428 nan 8.300 nan 0.000 0.450 144 D N 2.231 122.571 120.400 -0.099 0.000 2.263 144 D HA 0.032 4.685 4.640 0.021 0.000 0.208 144 D C 1.016 177.143 176.300 -0.288 0.000 0.971 144 D CA 1.041 54.920 54.000 -0.203 0.000 0.867 144 D CB 0.371 40.995 40.800 -0.293 0.000 0.929 144 D HN 0.640 nan 8.370 nan 0.000 0.492 145 G N -0.689 107.869 108.800 -0.404 0.000 2.455 145 G HA2 0.422 4.395 3.960 0.021 0.000 0.298 145 G HA3 0.422 4.395 3.960 0.021 0.000 0.298 145 G C -1.542 173.047 174.900 -0.519 0.000 1.349 145 G CA -0.465 44.255 45.100 -0.633 0.000 1.220 145 G HN -0.056 nan 8.290 nan 0.000 0.598 146 V N 2.500 122.409 119.914 -0.007 0.000 2.532 146 V HA 0.473 4.605 4.120 0.021 0.000 0.294 146 V C -0.850 175.312 176.094 0.115 0.000 1.036 146 V CA -1.153 61.113 62.300 -0.056 0.000 0.876 146 V CB 1.820 33.294 31.823 -0.583 0.000 1.012 146 V HN 0.687 nan 8.190 nan 0.000 0.432 147 N N 2.458 121.197 118.700 0.065 0.000 2.444 147 N HA 0.370 5.123 4.740 0.021 0.000 0.262 147 N C 0.634 176.049 175.510 -0.159 0.000 0.974 147 N CA 0.145 53.128 53.050 -0.113 0.000 0.933 147 N CB 2.089 40.343 38.487 -0.387 0.000 1.137 147 N HN 0.689 nan 8.380 nan 0.000 0.498 148 S N 1.693 117.341 115.700 -0.087 0.000 2.603 148 S HA 0.635 5.118 4.470 0.021 0.000 0.232 148 S C 0.238 174.874 174.600 0.060 0.000 1.016 148 S CA 0.021 58.214 58.200 -0.012 0.000 0.976 148 S CB 0.276 63.477 63.200 0.001 0.000 0.921 148 S HN 0.640 nan 8.310 nan 0.000 0.516 149 A N 0.825 123.694 122.820 0.081 0.000 2.586 149 A HA 0.788 5.121 4.320 0.021 0.000 0.290 149 A C -1.420 176.243 177.584 0.131 0.000 1.086 149 A CA -0.898 51.151 52.037 0.019 0.000 0.665 149 A CB 0.621 19.638 19.000 0.029 0.000 1.279 149 A HN 1.226 nan 8.150 nan 0.000 0.423 150 F N -1.228 118.503 119.950 -0.365 0.000 2.770 150 F HA 0.753 5.293 4.527 0.021 0.000 0.313 150 F C -1.383 174.245 175.800 -0.286 0.000 1.154 150 F CA -0.811 57.048 58.000 -0.234 0.000 0.923 150 F CB 0.950 39.830 39.000 -0.201 0.000 1.301 150 F HN 0.672 nan 8.300 nan 0.000 0.449 151 H N 1.527 120.702 119.070 0.175 0.000 2.569 151 H HA 0.738 5.307 4.556 0.022 0.000 0.357 151 H C -1.560 173.706 175.328 -0.104 0.000 1.153 151 H CA -0.824 55.224 56.048 -0.001 0.000 1.193 151 H CB 2.508 32.335 29.762 0.108 0.000 1.602 151 H HN 0.737 nan 8.280 nan 0.000 0.523 152 L N 2.947 123.890 121.223 -0.467 0.000 2.362 152 L HA 0.385 4.738 4.340 0.021 0.000 0.275 152 L C -1.550 174.845 176.870 -0.792 0.000 0.998 152 L CA -0.505 54.035 54.840 -0.499 0.000 0.820 152 L CB 1.051 42.703 42.059 -0.678 0.000 1.270 152 L HN 0.502 nan 8.230 nan 0.000 0.415 153 W N 4.586 125.865 121.300 -0.035 0.000 2.915 153 W HA 0.584 5.257 4.660 0.022 0.000 0.337 153 W C -1.123 175.377 176.519 -0.033 0.000 1.102 153 W CA -0.754 56.575 57.345 -0.027 0.000 1.224 153 W CB 2.029 31.497 29.460 0.012 0.000 1.416 153 W HN 0.562 nan 8.180 nan 0.000 0.503 154 C N 4.925 124.354 119.300 0.214 0.000 2.481 154 C HA 0.325 4.798 4.460 0.021 0.000 0.324 154 C C 0.387 175.516 174.990 0.232 0.000 1.170 154 C CA -0.295 58.829 59.018 0.178 0.000 1.361 154 C CB -0.188 27.601 27.740 0.083 0.000 1.977 154 C HN 0.841 nan 8.230 nan 0.000 0.459 155 N N 3.385 122.165 118.700 0.133 0.000 2.714 155 N HA -0.188 4.565 4.740 0.021 0.000 0.250 155 N C 0.921 176.493 175.510 0.102 0.000 1.117 155 N CA 2.302 55.405 53.050 0.088 0.000 0.719 155 N CB -1.403 37.135 38.487 0.084 0.000 1.081 155 N HN 1.872 nan 8.380 nan 0.000 0.557 156 G N -1.152 107.719 108.800 0.118 0.000 2.284 156 G HA2 -0.319 3.653 3.960 0.021 0.000 0.216 156 G HA3 -0.319 3.653 3.960 0.021 0.000 0.216 156 G C 0.043 175.107 174.900 0.273 0.000 1.009 156 G CA 0.171 45.329 45.100 0.097 0.000 0.625 156 G HN 0.479 nan 8.290 nan 0.000 0.501 157 R N -0.187 120.539 120.500 0.376 0.000 2.298 157 R HA 0.377 4.730 4.340 0.021 0.000 0.310 157 R C -0.055 176.609 176.300 0.607 0.000 1.068 157 R CA -0.643 55.761 56.100 0.507 0.000 0.957 157 R CB 0.649 31.219 30.300 0.450 0.000 1.003 157 R HN 0.312 nan 8.270 nan 0.000 0.454 158 W N 4.666 126.189 121.300 0.372 0.000 2.489 158 W HA 0.019 4.692 4.660 0.021 0.000 0.327 158 W C 0.254 176.662 176.519 -0.185 0.000 1.436 158 W CA -0.083 57.076 57.345 -0.309 0.000 1.315 158 W CB 0.543 29.804 29.460 -0.333 0.000 1.373 158 W HN 0.390 nan 8.180 nan 0.000 0.557 159 V N 6.245 125.574 119.914 -0.975 0.000 2.426 159 V HA 0.372 4.505 4.120 0.021 0.000 0.242 159 V C 1.320 176.512 176.094 -1.503 0.000 1.036 159 V CA 1.394 63.043 62.300 -1.085 0.000 1.044 159 V CB -1.059 30.157 31.823 -1.013 0.000 0.688 159 V HN 0.844 nan 8.190 nan 0.000 0.462 160 G N -1.967 105.618 108.800 -2.024 0.000 2.325 160 G HA2 0.428 4.401 3.960 0.021 0.000 0.295 160 G HA3 0.428 4.401 3.960 0.021 0.000 0.295 160 G C -2.382 172.003 174.900 -0.857 0.000 1.274 160 G CA -0.285 43.880 45.100 -1.558 0.000 0.857 160 G HN 0.015 nan 8.290 nan 0.000 0.499 161 Y N -0.290 119.688 120.300 -0.537 0.000 2.504 161 Y HA 0.691 5.254 4.550 0.021 0.000 0.344 161 Y C -0.093 175.578 175.900 -0.381 0.000 1.023 161 Y CA -0.076 57.734 58.100 -0.482 0.000 1.020 161 Y CB 2.280 40.679 38.460 -0.101 0.000 1.282 161 Y HN 1.239 nan 8.280 nan 0.000 0.454 162 G N 4.136 112.059 108.800 -1.462 0.000 2.719 162 G HA2 0.557 4.530 3.960 0.021 0.000 0.298 162 G HA3 0.557 4.530 3.960 0.021 0.000 0.298 162 G C -2.136 172.242 174.900 -0.870 0.000 1.411 162 G CA -0.839 43.692 45.100 -0.948 0.000 0.991 162 G HN 0.585 nan 8.290 nan 0.000 0.509 163 Q N 0.482 120.040 119.800 -0.403 0.000 2.377 163 Q HA 0.600 4.953 4.340 0.021 0.000 0.271 163 Q C -1.325 174.666 176.000 -0.014 0.000 1.077 163 Q CA -0.720 54.994 55.803 -0.147 0.000 0.820 163 Q CB 2.830 31.550 28.738 -0.030 0.000 1.347 163 Q HN 0.711 nan 8.270 nan 0.000 0.444 164 D N 0.196 120.626 120.400 0.051 0.000 6.964 164 D HA -0.092 4.561 4.640 0.021 0.000 0.238 164 D C -0.520 175.838 176.300 0.098 0.000 1.979 164 D CA 0.543 54.591 54.000 0.080 0.000 1.826 164 D CB -0.376 40.465 40.800 0.068 0.000 0.681 164 D HN 0.575 nan 8.370 nan 0.000 0.388 165 S N 3.724 119.483 115.700 0.099 0.000 2.496 165 S HA 0.036 4.519 4.470 0.021 0.000 0.224 165 S C 1.482 176.223 174.600 0.235 0.000 0.996 165 S CA 0.110 58.389 58.200 0.132 0.000 0.927 165 S CB 0.371 63.582 63.200 0.017 0.000 0.774 165 S HN 0.515 nan 8.310 nan 0.000 0.524 166 R N 0.717 121.314 120.500 0.162 0.000 2.393 166 R HA 0.463 4.815 4.340 0.021 0.000 0.244 166 R C -0.287 176.093 176.300 0.133 0.000 0.920 166 R CA 0.086 56.295 56.100 0.182 0.000 1.076 166 R CB -0.225 30.182 30.300 0.178 0.000 1.119 166 R HN 0.397 nan 8.270 nan 0.000 0.524 167 L N 0.806 122.078 121.223 0.083 0.000 2.393 167 L HA 0.473 4.826 4.340 0.021 0.000 0.260 167 L C -2.527 174.338 176.870 -0.009 0.000 1.002 167 L CA -2.521 52.334 54.840 0.024 0.000 0.818 167 L CB 2.620 44.685 42.059 0.009 0.000 1.369 167 L HN -0.251 nan 8.230 nan 0.000 0.412 168 P HA 0.099 nan 4.420 nan 0.000 0.267 168 P C -1.086 176.184 177.300 -0.049 0.000 1.209 168 P CA -0.108 62.957 63.100 -0.058 0.000 0.763 168 P CB 0.645 32.276 31.700 -0.115 0.000 0.816 169 S N 2.557 118.276 115.700 0.033 0.000 2.438 169 S HA 0.336 4.819 4.470 0.021 0.000 0.316 169 S C -0.220 174.307 174.600 -0.121 0.000 1.084 169 S CA -0.688 57.491 58.200 -0.035 0.000 1.107 169 S CB 0.931 64.237 63.200 0.176 0.000 0.981 169 S HN 0.377 nan 8.310 nan 0.000 0.466 170 E N 1.906 121.842 120.200 -0.441 0.000 2.187 170 E HA 0.505 4.868 4.350 0.021 0.000 0.268 170 E C -1.413 174.750 176.600 -0.729 0.000 0.896 170 E CA -0.513 55.681 56.400 -0.344 0.000 0.766 170 E CB 1.166 30.804 29.700 -0.103 0.000 1.142 170 E HN 0.486 nan 8.360 nan 0.000 0.408 171 F N 1.202 121.215 119.950 0.104 0.000 2.520 171 F HA 0.239 4.779 4.527 0.022 0.000 0.322 171 F C 0.337 176.155 175.800 0.030 0.000 1.103 171 F CA -1.194 56.825 58.000 0.033 0.000 0.926 171 F CB 1.127 40.100 39.000 -0.044 0.000 1.154 171 F HN 0.240 nan 8.300 nan 0.000 0.453 172 D N 3.044 123.558 120.400 0.190 0.000 2.348 172 D HA 0.172 4.824 4.640 0.021 0.000 0.253 172 D C 0.316 176.725 176.300 0.182 0.000 1.161 172 D CA 0.294 54.392 54.000 0.165 0.000 0.876 172 D CB 1.160 42.056 40.800 0.159 0.000 1.160 172 D HN 0.625 nan 8.370 nan 0.000 0.459 173 L N 2.720 124.065 121.223 0.202 0.000 2.664 173 L HA -0.027 4.326 4.340 0.021 0.000 0.233 173 L C 2.159 179.277 176.870 0.413 0.000 1.113 173 L CA -0.065 54.917 54.840 0.237 0.000 0.896 173 L CB 0.087 42.261 42.059 0.192 0.000 1.163 173 L HN 0.332 nan 8.230 nan 0.000 0.497 174 S N 1.328 117.219 115.700 0.318 0.000 2.409 174 S HA -0.318 4.165 4.470 0.021 0.000 0.237 174 S C 1.990 176.742 174.600 0.254 0.000 1.060 174 S CA 1.851 60.209 58.200 0.262 0.000 1.052 174 S CB -0.238 63.070 63.200 0.179 0.000 0.871 174 S HN 0.567 nan 8.310 nan 0.000 0.465 175 A N -0.143 122.859 122.820 0.303 0.000 2.169 175 A HA 0.298 4.631 4.320 0.021 0.000 0.212 175 A C 1.319 178.833 177.584 -0.117 0.000 1.153 175 A CA 0.452 52.488 52.037 -0.001 0.000 0.756 175 A CB -0.323 18.481 19.000 -0.327 0.000 0.813 175 A HN 0.497 nan 8.150 nan 0.000 0.471 176 F N -0.601 119.401 119.950 0.088 0.000 2.704 176 F HA 0.400 4.939 4.527 0.021 0.000 0.304 176 F C 0.538 176.382 175.800 0.072 0.000 1.094 176 F CA -0.685 57.364 58.000 0.081 0.000 1.275 176 F CB -0.450 38.604 39.000 0.090 0.000 1.073 176 F HN -0.056 nan 8.300 nan 0.000 0.586 177 L N 1.400 122.792 121.223 0.281 0.000 2.454 177 L HA 0.585 4.938 4.340 0.021 0.000 0.256 177 L C 0.360 177.289 176.870 0.098 0.000 1.136 177 L CA -0.798 54.148 54.840 0.177 0.000 0.804 177 L CB 0.970 43.155 42.059 0.209 0.000 1.181 177 L HN 0.042 nan 8.230 nan 0.000 0.469 178 R N 0.701 121.226 120.500 0.041 0.000 2.710 178 R HA 0.700 5.053 4.340 0.021 0.000 0.270 178 R C -1.433 174.858 176.300 -0.016 0.000 1.021 178 R CA -0.840 55.267 56.100 0.012 0.000 0.889 178 R CB 1.524 31.817 30.300 -0.011 0.000 1.243 178 R HN 0.587 nan 8.270 nan 0.000 0.464 179 A N 1.471 124.285 122.820 -0.011 0.000 2.548 179 A HA 0.461 4.794 4.320 0.021 0.000 0.247 179 A C 1.170 178.714 177.584 -0.067 0.000 1.067 179 A CA 1.330 53.350 52.037 -0.028 0.000 0.757 179 A CB -0.789 18.203 19.000 -0.012 0.000 0.996 179 A HN 1.510 nan 8.150 nan 0.000 0.504 180 G N 2.099 110.842 108.800 -0.096 0.000 2.669 180 G HA2 -0.161 3.812 3.960 0.021 0.000 0.250 180 G HA3 -0.161 3.812 3.960 0.021 0.000 0.250 180 G C -0.236 174.543 174.900 -0.201 0.000 1.247 180 G CA 0.045 45.070 45.100 -0.125 0.000 0.958 180 G HN 0.898 nan 8.290 nan 0.000 0.559 181 E N 2.837 122.922 120.200 -0.191 0.000 2.292 181 E HA 0.385 4.748 4.350 0.021 0.000 0.265 181 E C 0.285 176.681 176.600 -0.340 0.000 1.093 181 E CA 0.150 56.393 56.400 -0.261 0.000 0.922 181 E CB 0.113 29.703 29.700 -0.183 0.000 1.001 181 E HN 0.437 nan 8.360 nan 0.000 0.444 182 N N 2.532 120.856 118.700 -0.627 0.000 2.265 182 N HA 0.430 5.183 4.740 0.021 0.000 0.300 182 N C -0.603 174.456 175.510 -0.751 0.000 1.148 182 N CA -0.660 51.956 53.050 -0.723 0.000 0.772 182 N CB 2.641 40.456 38.487 -1.119 0.000 1.434 182 N HN 0.246 nan 8.380 nan 0.000 0.481 183 R N 1.780 122.079 120.500 -0.335 0.000 2.575 183 R HA 0.505 4.858 4.340 0.021 0.000 0.293 183 R C -1.357 174.981 176.300 0.063 0.000 0.983 183 R CA -0.507 55.520 56.100 -0.121 0.000 0.887 183 R CB 1.048 31.279 30.300 -0.115 0.000 1.184 183 R HN 0.469 nan 8.270 nan 0.000 0.445 184 L N 2.916 124.246 121.223 0.178 0.000 2.334 184 L HA 0.823 5.176 4.340 0.021 0.000 0.275 184 L C -0.393 176.552 176.870 0.125 0.000 1.036 184 L CA -1.051 53.911 54.840 0.204 0.000 0.807 184 L CB 2.028 44.239 42.059 0.253 0.000 1.231 184 L HN 0.815 nan 8.230 nan 0.000 0.438 185 A N 2.493 125.413 122.820 0.166 0.000 2.414 185 A HA 0.690 5.023 4.320 0.021 0.000 0.286 185 A C -1.186 176.676 177.584 0.463 0.000 1.073 185 A CA -0.403 51.656 52.037 0.036 0.000 0.727 185 A CB 1.505 20.097 19.000 -0.679 0.000 1.215 185 A HN 0.348 nan 8.150 nan 0.000 0.430 186 V N 3.920 124.300 119.914 0.775 0.000 2.350 186 V HA 0.420 4.553 4.120 0.021 0.000 0.285 186 V C 0.097 176.810 176.094 1.031 0.000 1.014 186 V CA -0.275 62.518 62.300 0.821 0.000 0.831 186 V CB 1.489 33.646 31.823 0.558 0.000 1.000 186 V HN 0.939 nan 8.190 nan 0.000 0.433 187 M N 6.549 126.754 119.600 1.008 0.000 2.111 187 M HA 0.471 4.963 4.480 0.021 0.000 0.351 187 M C -1.328 175.231 176.300 0.433 0.000 1.214 187 M CA -0.259 55.431 55.300 0.651 0.000 1.120 187 M CB 0.852 33.861 32.600 0.682 0.000 1.443 187 M HN 0.456 nan 8.290 nan 0.000 0.429 188 V N 6.704 126.819 119.914 0.335 0.000 2.427 188 V HA 0.457 4.590 4.120 0.021 0.000 0.286 188 V C -0.231 176.009 176.094 0.243 0.000 1.034 188 V CA -0.654 61.827 62.300 0.300 0.000 0.893 188 V CB 1.471 33.518 31.823 0.374 0.000 0.982 188 V HN 0.775 nan 8.190 nan 0.000 0.452 189 L N 4.293 125.597 121.223 0.135 0.000 2.346 189 L HA 0.603 4.956 4.340 0.021 0.000 0.276 189 L C 1.399 178.246 176.870 -0.039 0.000 1.006 189 L CA -0.561 54.295 54.840 0.026 0.000 0.817 189 L CB 1.489 43.437 42.059 -0.184 0.000 1.272 189 L HN 0.481 nan 8.230 nan 0.000 0.421 190 R N 1.877 122.282 120.500 -0.159 0.000 2.080 190 R HA -0.082 4.271 4.340 0.021 0.000 0.236 190 R C -0.439 175.463 176.300 -0.664 0.000 1.137 190 R CA 1.822 57.542 56.100 -0.633 0.000 0.943 190 R CB 0.107 29.844 30.300 -0.938 0.000 0.846 190 R HN 0.588 nan 8.270 nan 0.000 0.431 191 W N -0.102 121.236 121.300 0.062 0.000 2.551 191 W HA 0.347 5.019 4.660 0.021 0.000 0.330 191 W C 0.024 176.636 176.519 0.154 0.000 1.063 191 W CA -0.799 56.593 57.345 0.079 0.000 1.222 191 W CB 1.492 31.004 29.460 0.088 0.000 1.349 191 W HN 0.031 nan 8.180 nan 0.000 0.536 192 S N -0.874 115.093 115.700 0.444 0.000 2.790 192 S HA 0.236 4.719 4.470 0.021 0.000 0.292 192 S C -0.029 174.809 174.600 0.397 0.000 1.197 192 S CA -0.386 58.096 58.200 0.470 0.000 0.851 192 S CB 1.197 64.636 63.200 0.397 0.000 1.217 192 S HN 0.587 nan 8.310 nan 0.000 0.526 193 D N -0.174 120.471 120.400 0.407 0.000 2.347 193 D HA 0.176 4.829 4.640 0.021 0.000 0.213 193 D C 1.706 178.319 176.300 0.522 0.000 0.985 193 D CA 0.675 54.977 54.000 0.502 0.000 0.879 193 D CB -0.635 40.395 40.800 0.383 0.000 0.919 193 D HN 0.670 nan 8.370 nan 0.000 0.526 194 G N 0.186 109.203 108.800 0.363 0.000 2.448 194 G HA2 -0.266 3.707 3.960 0.021 0.000 0.219 194 G HA3 -0.266 3.707 3.960 0.021 0.000 0.219 194 G C 1.711 176.774 174.900 0.271 0.000 1.127 194 G CA 0.685 45.963 45.100 0.297 0.000 0.766 194 G HN 0.310 nan 8.290 nan 0.000 0.552 195 S N -0.241 115.603 115.700 0.239 0.000 2.442 195 S HA -0.056 4.427 4.470 0.021 0.000 0.236 195 S C 1.897 176.575 174.600 0.131 0.000 1.007 195 S CA 0.630 58.936 58.200 0.177 0.000 0.965 195 S CB -0.338 63.008 63.200 0.244 0.000 0.773 195 S HN 0.576 nan 8.310 nan 0.000 0.504 196 Y N 0.989 121.368 120.300 0.131 0.000 2.373 196 Y HA 0.103 4.665 4.550 0.021 0.000 0.293 196 Y C 1.596 177.577 175.900 0.133 0.000 1.129 196 Y CA 0.626 58.709 58.100 -0.029 0.000 1.226 196 Y CB -0.119 38.136 38.460 -0.341 0.000 1.000 196 Y HN 0.173 nan 8.280 nan 0.000 0.549 197 L N -0.036 121.353 121.223 0.275 0.000 2.629 197 L HA 0.096 4.449 4.340 0.021 0.000 0.230 197 L C 0.074 177.070 176.870 0.211 0.000 1.151 197 L CA 0.551 55.517 54.840 0.211 0.000 0.924 197 L CB -0.010 42.179 42.059 0.216 0.000 1.137 197 L HN 0.174 nan 8.230 nan 0.000 0.457 198 E N -0.164 120.178 120.200 0.237 0.000 3.858 198 E HA 0.031 4.394 4.350 0.021 0.000 0.208 198 E C -0.524 176.175 176.600 0.164 0.000 1.041 198 E CA -0.075 56.444 56.400 0.199 0.000 1.368 198 E CB 0.518 30.325 29.700 0.179 0.000 1.176 198 E HN 0.032 nan 8.360 nan 0.000 0.448 199 D N 1.296 121.750 120.400 0.091 0.000 3.060 199 D HA 0.037 4.689 4.640 0.021 0.000 0.245 199 D C -0.344 175.920 176.300 -0.060 0.000 1.274 199 D CA -0.027 53.906 54.000 -0.111 0.000 0.864 199 D CB 0.067 40.566 40.800 -0.502 0.000 1.073 199 D HN 0.065 nan 8.370 nan 0.000 0.473 200 Q N 0.314 120.163 119.800 0.081 0.000 2.340 200 Q HA 0.168 4.521 4.340 0.021 0.000 0.249 200 Q C -0.103 175.967 176.000 0.116 0.000 0.957 200 Q CA -0.299 55.609 55.803 0.175 0.000 0.882 200 Q CB 0.817 29.803 28.738 0.413 0.000 1.235 200 Q HN 0.039 nan 8.270 nan 0.000 0.439 201 D N 3.177 123.675 120.400 0.164 0.000 2.542 201 D HA 0.087 4.739 4.640 0.021 0.000 0.242 201 D C -0.769 175.657 176.300 0.211 0.000 1.207 201 D CA 0.346 54.433 54.000 0.145 0.000 1.172 201 D CB -0.497 40.401 40.800 0.163 0.000 1.126 201 D HN 0.503 nan 8.370 nan 0.000 0.500 202 M N -0.163 119.519 119.600 0.137 0.000 3.147 202 M HA 0.370 4.863 4.480 0.021 0.000 0.276 202 M C -1.419 174.967 176.300 0.144 0.000 1.211 202 M CA -1.159 54.197 55.300 0.093 0.000 0.820 202 M CB 0.988 33.559 32.600 -0.049 0.000 1.621 202 M HN -0.125 nan 8.290 nan 0.000 0.507 203 W N 2.608 124.007 121.300 0.165 0.000 2.322 203 W HA 0.312 4.985 4.660 0.022 0.000 0.328 203 W C 0.188 176.702 176.519 -0.007 0.000 1.395 203 W CA -0.124 57.281 57.345 0.100 0.000 1.267 203 W CB 0.329 29.790 29.460 0.001 0.000 1.259 203 W HN 0.282 nan 8.180 nan 0.000 0.560 204 R N 5.195 125.833 120.500 0.230 0.000 2.248 204 R HA 0.393 4.745 4.340 0.021 0.000 0.328 204 R C 0.040 176.345 176.300 0.009 0.000 1.067 204 R CA -0.084 56.083 56.100 0.111 0.000 0.924 204 R CB 0.038 30.449 30.300 0.185 0.000 1.013 204 R HN 0.570 nan 8.270 nan 0.000 0.454 205 M N 0.346 119.854 119.600 -0.153 0.000 2.708 205 M HA 0.518 5.011 4.480 0.021 0.000 0.280 205 M C -0.252 175.724 176.300 -0.541 0.000 1.095 205 M CA -0.819 54.282 55.300 -0.331 0.000 0.822 205 M CB 2.160 34.578 32.600 -0.304 0.000 1.698 205 M HN 0.702 nan 8.290 nan 0.000 0.475 206 S N -1.247 114.009 115.700 -0.739 0.000 2.622 206 S HA 0.830 5.313 4.470 0.021 0.000 0.275 206 S C -0.680 173.398 174.600 -0.869 0.000 1.112 206 S CA -0.301 57.366 58.200 -0.889 0.000 0.837 206 S CB 1.467 63.962 63.200 -1.175 0.000 1.082 206 S HN 1.499 nan 8.310 nan 0.000 0.456 207 G N 0.157 108.695 108.800 -0.437 0.000 2.331 207 G HA2 0.207 4.179 3.960 0.021 0.000 0.402 207 G HA3 0.207 4.179 3.960 0.021 0.000 0.402 207 G C -1.427 173.443 174.900 -0.050 0.000 1.275 207 G CA -0.622 44.491 45.100 0.023 0.000 1.003 207 G HN 1.213 nan 8.290 nan 0.000 0.500 208 I N 2.023 122.430 120.570 -0.272 0.000 2.260 208 I HA 0.268 4.451 4.170 0.021 0.000 0.297 208 I C 1.136 177.131 176.117 -0.204 0.000 1.143 208 I CA -0.106 60.954 61.300 -0.400 0.000 1.271 208 I CB -0.197 37.349 38.000 -0.756 0.000 1.461 208 I HN 0.501 nan 8.210 nan 0.000 0.530 209 F N 4.635 124.427 119.950 -0.263 0.000 2.664 209 F HA 0.482 5.021 4.527 0.021 0.000 0.303 209 F C 0.529 176.236 175.800 -0.155 0.000 1.092 209 F CA -0.527 57.350 58.000 -0.205 0.000 1.305 209 F CB 0.146 39.026 39.000 -0.200 0.000 1.054 209 F HN 0.140 nan 8.300 nan 0.000 0.565 210 R N 0.378 120.386 120.500 -0.821 0.000 2.774 210 R HA 0.205 4.558 4.340 0.021 0.000 0.272 210 R C -1.143 174.921 176.300 -0.393 0.000 1.000 210 R CA -1.189 54.533 56.100 -0.629 0.000 0.906 210 R CB 1.043 30.858 30.300 -0.809 0.000 1.227 210 R HN -0.035 nan 8.270 nan 0.000 0.468 211 D N 1.057 121.298 120.400 -0.265 0.000 2.629 211 D HA 0.016 4.669 4.640 0.021 0.000 0.228 211 D C -0.369 175.809 176.300 -0.204 0.000 1.127 211 D CA 0.610 54.503 54.000 -0.179 0.000 0.855 211 D CB 0.425 41.173 40.800 -0.086 0.000 1.180 211 D HN 0.003 nan 8.370 nan 0.000 0.484 212 V N 1.951 121.751 119.914 -0.190 0.000 2.435 212 V HA 0.567 4.700 4.120 0.021 0.000 0.290 212 V C 0.036 176.027 176.094 -0.172 0.000 1.030 212 V CA -0.454 61.696 62.300 -0.250 0.000 0.881 212 V CB 1.590 33.250 31.823 -0.270 0.000 0.983 212 V HN 0.724 nan 8.190 nan 0.000 0.445 213 S N 4.888 120.468 115.700 -0.200 0.000 2.579 213 S HA 0.758 5.241 4.470 0.021 0.000 0.272 213 S C -1.373 173.172 174.600 -0.091 0.000 1.141 213 S CA -0.782 57.352 58.200 -0.110 0.000 0.843 213 S CB 2.062 65.234 63.200 -0.047 0.000 1.122 213 S HN 0.344 nan 8.310 nan 0.000 0.468 214 L N 2.213 123.431 121.223 -0.009 0.000 2.295 214 L HA 0.601 4.954 4.340 0.021 0.000 0.281 214 L C -0.984 176.027 176.870 0.236 0.000 1.018 214 L CA -0.729 54.173 54.840 0.103 0.000 0.841 214 L CB 0.937 43.051 42.059 0.091 0.000 1.218 214 L HN 0.775 nan 8.230 nan 0.000 0.424 215 L N 4.621 125.953 121.223 0.180 0.000 2.325 215 L HA 0.456 4.809 4.340 0.021 0.000 0.279 215 L C -0.593 176.297 176.870 0.034 0.000 1.054 215 L CA -0.033 54.873 54.840 0.109 0.000 0.804 215 L CB 1.000 43.098 42.059 0.066 0.000 1.200 215 L HN 0.566 nan 8.230 nan 0.000 0.436 216 H N 5.197 124.047 119.070 -0.366 0.000 2.539 216 H HA 0.458 5.027 4.556 0.021 0.000 0.332 216 H C -1.343 173.720 175.328 -0.442 0.000 1.031 216 H CA -0.771 54.853 56.048 -0.706 0.000 1.206 216 H CB 1.227 29.806 29.762 -1.972 0.000 1.446 216 H HN 0.501 nan 8.280 nan 0.000 0.496 217 K N 5.388 125.284 120.400 -0.839 0.000 2.375 217 K HA 0.352 4.685 4.320 0.021 0.000 0.249 217 K C -2.766 173.505 176.600 -0.548 0.000 0.942 217 K CA -2.146 53.806 56.287 -0.560 0.000 0.806 217 K CB 2.296 34.591 32.500 -0.342 0.000 1.227 217 K HN 0.499 nan 8.250 nan 0.000 0.430 218 P HA 0.062 nan 4.420 nan 0.000 0.269 218 P C 0.399 177.586 177.300 -0.189 0.000 1.209 218 P CA 0.042 63.010 63.100 -0.220 0.000 0.776 218 P CB 0.382 32.001 31.700 -0.135 0.000 0.876 219 T N -0.719 113.756 114.554 -0.132 0.000 2.881 219 T HA -0.051 4.311 4.350 0.021 0.000 0.270 219 T C 0.711 175.354 174.700 -0.094 0.000 1.068 219 T CA 1.512 63.553 62.100 -0.099 0.000 1.131 219 T CB -0.473 68.360 68.868 -0.057 0.000 0.871 219 T HN 0.398 nan 8.240 nan 0.000 0.479 220 T N 3.407 117.906 114.554 -0.091 0.000 2.874 220 T HA 0.425 4.788 4.350 0.021 0.000 0.321 220 T C -0.378 174.252 174.700 -0.116 0.000 1.075 220 T CA -0.743 61.297 62.100 -0.100 0.000 0.966 220 T CB 0.617 69.443 68.868 -0.070 0.000 1.001 220 T HN 0.485 nan 8.240 nan 0.000 0.476 221 Q N 2.594 122.307 119.800 -0.145 0.000 2.495 221 Q HA 0.640 4.993 4.340 0.021 0.000 0.287 221 Q C -1.015 174.887 176.000 -0.164 0.000 1.078 221 Q CA -1.195 54.508 55.803 -0.167 0.000 0.793 221 Q CB 1.443 30.055 28.738 -0.210 0.000 1.459 221 Q HN 0.415 nan 8.270 nan 0.000 0.422 222 I N 2.533 122.990 120.570 -0.189 0.000 2.587 222 I HA -0.064 4.119 4.170 0.021 0.000 0.284 222 I C 1.116 177.134 176.117 -0.166 0.000 1.134 222 I CA 0.388 61.603 61.300 -0.141 0.000 1.410 222 I CB 1.064 38.951 38.000 -0.189 0.000 1.392 222 I HN 0.916 nan 8.210 nan 0.000 0.545 223 S N 3.298 118.999 115.700 0.002 0.000 2.497 223 S HA 0.162 4.645 4.470 0.021 0.000 0.218 223 S C 0.271 175.033 174.600 0.270 0.000 1.023 223 S CA -0.051 58.193 58.200 0.074 0.000 0.913 223 S CB 0.317 63.522 63.200 0.009 0.000 0.800 223 S HN 0.735 nan 8.310 nan 0.000 0.505 224 D N -0.637 119.952 120.400 0.314 0.000 2.742 224 D HA 0.489 5.142 4.640 0.021 0.000 0.262 224 D C -1.914 174.536 176.300 0.250 0.000 1.240 224 D CA -0.600 53.563 54.000 0.271 0.000 0.752 224 D CB 1.557 42.389 40.800 0.052 0.000 1.290 224 D HN 0.273 nan 8.370 nan 0.000 0.420 225 F N -0.551 119.314 119.950 -0.142 0.000 2.654 225 F HA 0.582 5.122 4.527 0.022 0.000 0.314 225 F C -1.732 173.907 175.800 -0.268 0.000 1.116 225 F CA -0.753 57.091 58.000 -0.260 0.000 1.017 225 F CB 0.826 39.805 39.000 -0.035 0.000 1.285 225 F HN 0.256 nan 8.300 nan 0.000 0.448 226 H N 2.039 121.146 119.070 0.062 0.000 2.569 226 H HA 0.855 5.425 4.556 0.023 0.000 0.357 226 H C -1.206 174.147 175.328 0.042 0.000 1.153 226 H CA -1.566 54.457 56.048 -0.042 0.000 1.193 226 H CB 2.539 32.268 29.762 -0.055 0.000 1.602 226 H HN 0.654 nan 8.280 nan 0.000 0.523 227 V N 1.228 121.212 119.914 0.116 0.000 2.735 227 V HA 0.780 4.913 4.120 0.021 0.000 0.310 227 V C -0.858 175.223 176.094 -0.021 0.000 1.061 227 V CA -0.530 61.796 62.300 0.043 0.000 0.913 227 V CB 1.747 33.588 31.823 0.030 0.000 1.005 227 V HN 0.998 nan 8.190 nan 0.000 0.428 228 A N 2.536 125.320 122.820 -0.060 0.000 2.517 228 A HA 0.831 5.164 4.320 0.021 0.000 0.297 228 A C -0.462 177.034 177.584 -0.146 0.000 1.050 228 A CA -0.279 51.708 52.037 -0.083 0.000 0.694 228 A CB 2.053 21.022 19.000 -0.051 0.000 1.277 228 A HN 0.986 nan 8.150 nan 0.000 0.400 229 T N 0.278 114.733 114.554 -0.166 0.000 2.833 229 T HA 0.659 5.022 4.350 0.021 0.000 0.297 229 T C -0.311 174.163 174.700 -0.376 0.000 1.015 229 T CA -0.767 61.165 62.100 -0.279 0.000 0.963 229 T CB 0.493 69.146 68.868 -0.358 0.000 0.955 229 T HN 0.796 nan 8.240 nan 0.000 0.449 230 R N 2.687 122.913 120.500 -0.456 0.000 2.540 230 R HA 0.779 5.131 4.340 0.021 0.000 0.287 230 R C -1.119 174.718 176.300 -0.773 0.000 0.980 230 R CA -0.810 55.040 56.100 -0.417 0.000 0.966 230 R CB 0.942 31.145 30.300 -0.162 0.000 1.106 230 R HN 0.471 nan 8.270 nan 0.000 0.480 231 F N 0.098 120.022 119.950 -0.043 0.000 2.661 231 F HA 0.389 4.927 4.527 0.020 0.000 0.347 231 F C 0.490 176.153 175.800 -0.228 0.000 1.086 231 F CA -1.282 56.626 58.000 -0.153 0.000 1.016 231 F CB 0.740 39.541 39.000 -0.332 0.000 1.368 231 F HN 0.561 nan 8.300 nan 0.000 0.505 232 N N 0.129 118.802 118.700 -0.044 0.000 2.477 232 N HA 0.099 4.852 4.740 0.021 0.000 0.284 232 N C 0.363 175.710 175.510 -0.272 0.000 1.182 232 N CA -0.219 52.764 53.050 -0.112 0.000 0.949 232 N CB 1.178 39.636 38.487 -0.047 0.000 1.204 232 N HN 0.759 nan 8.380 nan 0.000 0.526 233 D N 0.157 120.459 120.400 -0.163 0.000 2.220 233 D HA -0.277 4.376 4.640 0.021 0.000 0.198 233 D C 0.389 176.645 176.300 -0.073 0.000 1.001 233 D CA 1.927 55.850 54.000 -0.129 0.000 0.875 233 D CB -0.320 40.459 40.800 -0.036 0.000 0.921 233 D HN 0.750 nan 8.370 nan 0.000 0.454 234 D N -1.901 118.496 120.400 -0.005 0.000 2.433 234 D HA -0.003 4.650 4.640 0.021 0.000 0.211 234 D C 0.289 176.844 176.300 0.425 0.000 1.114 234 D CA -0.609 53.524 54.000 0.221 0.000 0.837 234 D CB -0.925 39.963 40.800 0.147 0.000 0.984 234 D HN 0.220 nan 8.370 nan 0.000 0.505 235 F N 0.762 120.755 119.950 0.073 0.000 3.058 235 F HA -0.237 4.302 4.527 0.020 0.000 0.295 235 F C 1.379 177.239 175.800 0.101 0.000 0.875 235 F CA 0.632 58.690 58.000 0.096 0.000 1.150 235 F CB -2.593 36.370 39.000 -0.062 0.000 1.175 235 F HN 0.174 nan 8.300 nan 0.000 0.599 236 S N -1.301 114.508 115.700 0.182 0.000 2.517 236 S HA 0.388 4.871 4.470 0.021 0.000 0.214 236 S C 0.580 175.228 174.600 0.080 0.000 0.991 236 S CA -0.079 58.194 58.200 0.121 0.000 0.906 236 S CB 0.569 63.818 63.200 0.082 0.000 0.789 236 S HN 0.482 nan 8.310 nan 0.000 0.513 237 R N 0.111 120.663 120.500 0.088 0.000 2.698 237 R HA 0.840 5.192 4.340 0.021 0.000 0.275 237 R C -1.339 174.986 176.300 0.041 0.000 1.001 237 R CA -0.476 55.642 56.100 0.030 0.000 0.896 237 R CB 2.039 32.336 30.300 -0.004 0.000 1.218 237 R HN 0.217 nan 8.270 nan 0.000 0.462 238 A N 1.304 124.084 122.820 -0.066 0.000 2.594 238 A HA 0.773 5.106 4.320 0.021 0.000 0.291 238 A C -1.417 176.069 177.584 -0.162 0.000 1.105 238 A CA -0.718 51.206 52.037 -0.187 0.000 0.694 238 A CB 2.073 20.916 19.000 -0.263 0.000 1.291 238 A HN 0.314 nan 8.150 nan 0.000 0.410 239 V N 0.978 120.772 119.914 -0.200 0.000 2.604 239 V HA 0.573 4.706 4.120 0.021 0.000 0.305 239 V C -0.652 175.396 176.094 -0.077 0.000 1.043 239 V CA -0.472 61.762 62.300 -0.111 0.000 0.888 239 V CB 1.600 33.356 31.823 -0.110 0.000 0.995 239 V HN 0.846 nan 8.190 nan 0.000 0.429 240 L N 3.979 125.189 121.223 -0.022 0.000 2.313 240 L HA 0.695 5.048 4.340 0.021 0.000 0.283 240 L C -0.348 176.490 176.870 -0.054 0.000 1.013 240 L CA -0.044 54.768 54.840 -0.047 0.000 0.816 240 L CB 1.439 43.484 42.059 -0.024 0.000 1.236 240 L HN 0.780 nan 8.230 nan 0.000 0.419 241 E N 4.105 124.268 120.200 -0.061 0.000 2.191 241 E HA 0.662 5.025 4.350 0.021 0.000 0.263 241 E C -1.384 175.209 176.600 -0.012 0.000 0.881 241 E CA -0.769 55.609 56.400 -0.036 0.000 0.757 241 E CB 1.839 31.516 29.700 -0.038 0.000 1.147 241 E HN 0.747 nan 8.360 nan 0.000 0.414 242 A N 4.436 127.256 122.820 -0.000 0.000 2.304 242 A HA 0.367 4.699 4.320 0.021 0.000 0.314 242 A C -0.660 176.941 177.584 0.029 0.000 1.187 242 A CA -0.643 51.415 52.037 0.036 0.000 0.810 242 A CB 1.016 20.032 19.000 0.026 0.000 1.183 242 A HN 0.714 nan 8.150 nan 0.000 0.487 243 E N 2.580 122.816 120.200 0.061 0.000 2.133 243 E HA 0.574 4.937 4.350 0.021 0.000 0.274 243 E C -1.401 175.203 176.600 0.007 0.000 0.930 243 E CA -0.399 56.018 56.400 0.028 0.000 0.770 243 E CB 1.310 31.051 29.700 0.069 0.000 1.104 243 E HN 0.359 nan 8.360 nan 0.000 0.403 244 V N 4.839 124.760 119.914 0.011 0.000 2.735 244 V HA 0.335 4.468 4.120 0.021 0.000 0.310 244 V C -0.558 175.617 176.094 0.136 0.000 1.061 244 V CA -0.814 61.527 62.300 0.069 0.000 0.913 244 V CB 1.777 33.624 31.823 0.041 0.000 1.005 244 V HN 0.770 nan 8.190 nan 0.000 0.428 245 Q N 4.176 124.055 119.800 0.133 0.000 2.348 245 Q HA 0.888 5.241 4.340 0.021 0.000 0.271 245 Q C -1.063 174.994 176.000 0.094 0.000 1.067 245 Q CA -1.007 54.871 55.803 0.125 0.000 0.839 245 Q CB 2.818 31.565 28.738 0.015 0.000 1.354 245 Q HN 0.784 nan 8.270 nan 0.000 0.447 246 M N -0.890 118.673 119.600 -0.063 0.000 2.501 246 M HA 0.672 5.164 4.480 0.021 0.000 0.293 246 M C -1.525 174.652 176.300 -0.206 0.000 1.192 246 M CA -0.462 54.717 55.300 -0.202 0.000 0.886 246 M CB 2.042 34.302 32.600 -0.567 0.000 1.710 246 M HN 0.588 nan 8.290 nan 0.000 0.457 247 C N 2.032 121.237 119.300 -0.159 0.000 2.435 247 C HA 1.035 5.508 4.460 0.021 0.000 0.333 247 C C 0.764 175.665 174.990 -0.147 0.000 1.202 247 C CA 0.933 59.874 59.018 -0.128 0.000 1.830 247 C CB 0.815 28.503 27.740 -0.086 0.000 2.326 247 C HN 1.370 nan 8.230 nan 0.000 0.507 248 G N 2.401 111.126 108.800 -0.124 0.000 2.373 248 G HA2 -0.017 3.955 3.960 0.021 0.000 0.634 248 G HA3 -0.017 3.955 3.960 0.021 0.000 0.634 248 G C -0.975 173.851 174.900 -0.123 0.000 1.267 248 G CA -0.734 44.299 45.100 -0.112 0.000 1.008 248 G HN 0.782 nan 8.290 nan 0.000 0.497 249 E N 0.194 120.335 120.200 -0.098 0.000 2.328 249 E HA 0.227 4.590 4.350 0.021 0.000 0.265 249 E C 0.225 176.738 176.600 -0.144 0.000 1.057 249 E CA -0.107 56.236 56.400 -0.094 0.000 0.916 249 E CB 0.410 30.081 29.700 -0.049 0.000 0.993 249 E HN 0.371 nan 8.360 nan 0.000 0.446 250 L N 5.881 127.008 121.223 -0.161 0.000 2.315 250 L HA 0.206 4.558 4.340 0.021 0.000 0.283 250 L C 0.176 176.913 176.870 -0.221 0.000 1.089 250 L CA -0.021 54.695 54.840 -0.206 0.000 0.833 250 L CB 0.251 42.209 42.059 -0.168 0.000 1.170 250 L HN 0.282 nan 8.230 nan 0.000 0.442 251 R N 2.793 123.076 120.500 -0.361 0.000 2.628 251 R HA 0.202 4.555 4.340 0.021 0.000 0.288 251 R C 0.153 176.083 176.300 -0.617 0.000 0.980 251 R CA -0.798 54.953 56.100 -0.582 0.000 0.891 251 R CB 1.614 31.256 30.300 -1.097 0.000 1.188 251 R HN 0.565 nan 8.270 nan 0.000 0.450 252 D N 1.658 121.835 120.400 -0.372 0.000 2.218 252 D HA -0.241 4.412 4.640 0.021 0.000 0.194 252 D C 1.366 177.591 176.300 -0.124 0.000 1.007 252 D CA 2.140 56.040 54.000 -0.167 0.000 0.879 252 D CB -0.034 40.745 40.800 -0.034 0.000 0.918 252 D HN 0.666 nan 8.370 nan 0.000 0.449 253 Y N -0.075 120.240 120.300 0.026 0.000 2.490 253 Y HA 0.330 4.893 4.550 0.022 0.000 0.281 253 Y C 1.053 176.966 175.900 0.022 0.000 1.174 253 Y CA -0.572 57.543 58.100 0.025 0.000 1.295 253 Y CB -0.596 37.879 38.460 0.025 0.000 1.062 253 Y HN -0.161 nan 8.280 nan 0.000 0.522 254 L N 3.165 124.323 121.223 -0.109 0.000 2.456 254 L HA 0.266 4.618 4.340 0.021 0.000 0.272 254 L C 0.220 177.111 176.870 0.035 0.000 1.189 254 L CA 0.204 55.069 54.840 0.042 0.000 0.846 254 L CB 0.569 42.634 42.059 0.010 0.000 1.111 254 L HN 0.287 nan 8.230 nan 0.000 0.475 255 R N 2.373 122.805 120.500 -0.113 0.000 2.808 255 R HA 0.714 5.067 4.340 0.021 0.000 0.272 255 R C -1.476 174.514 176.300 -0.516 0.000 0.995 255 R CA -0.835 55.061 56.100 -0.339 0.000 0.917 255 R CB 2.321 32.408 30.300 -0.355 0.000 1.217 255 R HN 0.280 nan 8.270 nan 0.000 0.471 256 V N 0.702 120.363 119.914 -0.422 0.000 2.656 256 V HA 0.525 4.658 4.120 0.021 0.000 0.307 256 V C -0.436 175.602 176.094 -0.093 0.000 1.051 256 V CA -0.716 61.405 62.300 -0.298 0.000 0.893 256 V CB 2.148 33.731 31.823 -0.399 0.000 0.999 256 V HN 0.792 nan 8.190 nan 0.000 0.426 257 T N 3.297 117.875 114.554 0.039 0.000 2.881 257 T HA 0.558 4.921 4.350 0.021 0.000 0.291 257 T C -0.630 174.079 174.700 0.016 0.000 0.990 257 T CA -0.466 61.683 62.100 0.081 0.000 0.976 257 T CB 1.698 70.687 68.868 0.202 0.000 0.970 257 T HN 0.360 nan 8.240 nan 0.000 0.438 258 V N 3.866 123.770 119.914 -0.016 0.000 2.334 258 V HA 0.506 4.639 4.120 0.021 0.000 0.281 258 V C 0.012 176.094 176.094 -0.020 0.000 1.016 258 V CA -0.724 61.560 62.300 -0.025 0.000 0.832 258 V CB 1.166 32.962 31.823 -0.045 0.000 0.999 258 V HN 1.046 nan 8.190 nan 0.000 0.439 259 S N 5.731 121.437 115.700 0.010 0.000 2.501 259 S HA 0.827 5.310 4.470 0.021 0.000 0.301 259 S C -0.785 173.762 174.600 -0.088 0.000 1.096 259 S CA -0.733 57.430 58.200 -0.062 0.000 1.063 259 S CB 2.349 65.592 63.200 0.071 0.000 1.042 259 S HN 0.460 nan 8.310 nan 0.000 0.494 260 L N 2.280 123.342 121.223 -0.268 0.000 2.333 260 L HA 0.710 5.063 4.340 0.021 0.000 0.280 260 L C -1.967 174.727 176.870 -0.293 0.000 1.004 260 L CA -0.409 54.362 54.840 -0.115 0.000 0.820 260 L CB 0.699 42.765 42.059 0.011 0.000 1.247 260 L HN 0.835 nan 8.230 nan 0.000 0.416 261 W N 3.962 125.364 121.300 0.169 0.000 2.702 261 W HA 0.559 5.231 4.660 0.021 0.000 0.331 261 W C -0.328 176.283 176.519 0.153 0.000 1.049 261 W CA -0.460 56.962 57.345 0.129 0.000 1.230 261 W CB 1.429 30.915 29.460 0.044 0.000 1.408 261 W HN 0.354 nan 8.180 nan 0.000 0.492 262 Q N 2.883 122.854 119.800 0.286 0.000 2.571 262 Q HA 0.437 4.790 4.340 0.021 0.000 0.243 262 Q C 0.644 176.686 176.000 0.070 0.000 1.055 262 Q CA 0.598 56.403 55.803 0.003 0.000 0.815 262 Q CB 0.636 29.262 28.738 -0.186 0.000 1.151 262 Q HN 0.854 nan 8.270 nan 0.000 0.519 263 G N 3.041 111.891 108.800 0.082 0.000 2.588 263 G HA2 -0.291 3.682 3.960 0.021 0.000 0.273 263 G HA3 -0.291 3.682 3.960 0.021 0.000 0.273 263 G C 0.329 175.300 174.900 0.119 0.000 1.211 263 G CA 0.241 45.379 45.100 0.062 0.000 0.958 263 G HN 0.591 nan 8.290 nan 0.000 0.543 264 E N 1.067 121.347 120.200 0.134 0.000 2.538 264 E HA 0.209 4.572 4.350 0.021 0.000 0.207 264 E C 0.042 176.864 176.600 0.369 0.000 1.002 264 E CA 0.429 56.919 56.400 0.149 0.000 0.952 264 E CB 0.916 30.644 29.700 0.046 0.000 1.031 264 E HN 0.374 nan 8.360 nan 0.000 0.476 265 T N 1.947 116.719 114.554 0.363 0.000 2.743 265 T HA 0.112 4.475 4.350 0.021 0.000 0.292 265 T C 0.045 174.821 174.700 0.127 0.000 0.972 265 T CA -0.312 61.932 62.100 0.241 0.000 0.967 265 T CB 1.521 70.459 68.868 0.116 0.000 0.926 265 T HN 0.004 nan 8.240 nan 0.000 0.459 266 Q N 4.086 123.741 119.800 -0.242 0.000 2.348 266 Q HA 0.150 4.503 4.340 0.021 0.000 0.251 266 Q C 0.670 176.386 176.000 -0.474 0.000 1.113 266 Q CA -0.337 54.855 55.803 -1.019 0.000 0.902 266 Q CB 0.391 28.235 28.738 -1.490 0.000 1.333 266 Q HN 0.583 nan 8.270 nan 0.000 0.457 267 V N 3.015 122.736 119.914 -0.322 0.000 2.427 267 V HA 0.002 4.135 4.120 0.021 0.000 0.248 267 V C 0.744 176.738 176.094 -0.168 0.000 1.051 267 V CA 1.575 63.797 62.300 -0.130 0.000 1.048 267 V CB -0.638 31.216 31.823 0.053 0.000 0.666 267 V HN 0.786 nan 8.190 nan 0.000 0.456 268 A N -1.421 121.249 122.820 -0.251 0.000 2.608 268 A HA 0.739 5.072 4.320 0.021 0.000 0.292 268 A C -0.759 176.694 177.584 -0.219 0.000 1.066 268 A CA 0.039 51.963 52.037 -0.188 0.000 0.676 268 A CB 1.848 20.782 19.000 -0.110 0.000 1.277 268 A HN 0.066 nan 8.150 nan 0.000 0.413 269 S N -0.741 114.869 115.700 -0.150 0.000 2.541 269 S HA 0.821 5.304 4.470 0.021 0.000 0.271 269 S C -0.539 174.016 174.600 -0.074 0.000 1.133 269 S CA 0.203 58.331 58.200 -0.121 0.000 0.876 269 S CB 1.757 64.880 63.200 -0.128 0.000 1.105 269 S HN 2.262 nan 8.310 nan 0.000 0.470 270 G N 1.853 110.621 108.800 -0.053 0.000 2.740 270 G HA2 0.605 4.578 3.960 0.021 0.000 0.296 270 G HA3 0.605 4.578 3.960 0.021 0.000 0.296 270 G C -1.392 173.490 174.900 -0.030 0.000 1.439 270 G CA -0.446 44.627 45.100 -0.044 0.000 1.066 270 G HN 0.688 nan 8.290 nan 0.000 0.527 271 T N 0.183 114.722 114.554 -0.025 0.000 2.881 271 T HA 0.845 5.208 4.350 0.021 0.000 0.290 271 T C -0.170 174.500 174.700 -0.051 0.000 1.000 271 T CA -0.117 61.976 62.100 -0.010 0.000 0.978 271 T CB 1.748 70.644 68.868 0.046 0.000 0.997 271 T HN 1.508 nan 8.240 nan 0.000 0.443 272 A N 3.981 126.737 122.820 -0.106 0.000 2.610 272 A HA 0.946 5.278 4.320 0.021 0.000 0.291 272 A C -3.175 174.279 177.584 -0.218 0.000 1.086 272 A CA -1.600 50.357 52.037 -0.133 0.000 0.677 272 A CB 1.306 20.226 19.000 -0.132 0.000 1.278 272 A HN 0.525 nan 8.150 nan 0.000 0.414 273 P HA 0.616 nan 4.420 nan 0.000 0.283 273 P C -0.791 176.372 177.300 -0.229 0.000 1.271 273 P CA -0.401 62.602 63.100 -0.161 0.000 0.841 273 P CB 0.411 32.082 31.700 -0.048 0.000 1.122 274 F N 0.361 120.272 119.950 -0.066 0.000 2.496 274 F HA 0.464 5.004 4.527 0.021 0.000 0.344 274 F C 1.536 177.320 175.800 -0.027 0.000 1.155 274 F CA 1.513 59.485 58.000 -0.047 0.000 1.302 274 F CB -0.012 38.955 39.000 -0.054 0.000 1.159 274 F HN 0.576 nan 8.300 nan 0.000 0.595 275 G N 1.417 110.341 108.800 0.207 0.000 2.951 275 G HA2 0.372 4.345 3.960 0.021 0.000 0.508 275 G HA3 0.372 4.345 3.960 0.021 0.000 0.508 275 G C -0.461 174.491 174.900 0.086 0.000 1.203 275 G CA -0.756 44.421 45.100 0.127 0.000 1.209 275 G HN 1.040 nan 8.290 nan 0.000 0.552 276 G N 0.851 109.725 108.800 0.124 0.000 2.547 276 G HA2 0.704 4.677 3.960 0.021 0.000 0.291 276 G HA3 0.704 4.677 3.960 0.021 0.000 0.291 276 G C 0.412 175.360 174.900 0.080 0.000 1.211 276 G CA 0.037 45.203 45.100 0.111 0.000 0.950 276 G HN 1.038 nan 8.290 nan 0.000 0.504 277 E N -0.404 119.838 120.200 0.070 0.000 2.390 277 E HA 0.075 4.438 4.350 0.021 0.000 0.261 277 E C -0.516 176.112 176.600 0.047 0.000 1.076 277 E CA -0.620 55.808 56.400 0.047 0.000 0.905 277 E CB 0.800 30.523 29.700 0.037 0.000 0.984 277 E HN 0.057 nan 8.360 nan 0.000 0.427 278 I N 3.054 123.637 120.570 0.023 0.000 2.742 278 I HA -0.159 4.024 4.170 0.021 0.000 0.287 278 I C 1.215 177.342 176.117 0.016 0.000 1.186 278 I CA 0.213 61.518 61.300 0.008 0.000 1.417 278 I CB -0.467 37.532 38.000 -0.002 0.000 1.377 278 I HN 0.617 nan 8.210 nan 0.000 0.556 279 I N 4.810 125.383 120.570 0.005 0.000 2.729 279 I HA 0.038 4.221 4.170 0.021 0.000 0.256 279 I C 0.768 176.885 176.117 -0.001 0.000 1.115 279 I CA 1.069 62.380 61.300 0.018 0.000 1.446 279 I CB -0.512 37.520 38.000 0.054 0.000 1.176 279 I HN 0.830 nan 8.210 nan 0.000 0.446 280 D N -2.742 117.643 120.400 -0.024 0.000 2.921 280 D HA 0.167 4.820 4.640 0.021 0.000 0.329 280 D C 0.662 176.945 176.300 -0.028 0.000 1.293 280 D CA -0.420 53.567 54.000 -0.021 0.000 0.964 280 D CB 0.470 41.257 40.800 -0.023 0.000 1.435 280 D HN -0.241 nan 8.370 nan 0.000 0.548 281 E N -0.637 119.549 120.200 -0.023 0.000 2.114 281 E HA -0.154 4.209 4.350 0.021 0.000 0.199 281 E C 1.772 178.353 176.600 -0.032 0.000 1.008 281 E CA 1.375 57.762 56.400 -0.023 0.000 0.810 281 E CB -0.071 29.618 29.700 -0.017 0.000 0.739 281 E HN 0.246 nan 8.360 nan 0.000 0.456 282 R N -0.361 120.113 120.500 -0.044 0.000 2.235 282 R HA 0.127 4.480 4.340 0.021 0.000 0.213 282 R C 1.172 177.432 176.300 -0.067 0.000 1.059 282 R CA 1.005 57.072 56.100 -0.055 0.000 0.997 282 R CB -0.075 30.187 30.300 -0.063 0.000 0.884 282 R HN 0.285 nan 8.270 nan 0.000 0.462 283 G N -1.407 107.351 108.800 -0.071 0.000 2.250 283 G HA2 -0.024 3.949 3.960 0.021 0.000 0.196 283 G HA3 -0.024 3.949 3.960 0.021 0.000 0.196 283 G C -0.183 174.660 174.900 -0.096 0.000 1.308 283 G CA -0.513 44.545 45.100 -0.069 0.000 1.207 283 G HN 0.482 nan 8.290 nan 0.000 0.505 284 G N -1.740 107.001 108.800 -0.099 0.000 3.217 284 G HA2 0.608 4.581 3.960 0.021 0.000 0.213 284 G HA3 0.608 4.581 3.960 0.021 0.000 0.213 284 G C -1.563 173.211 174.900 -0.210 0.000 1.294 284 G CA -0.703 44.339 45.100 -0.096 0.000 0.987 284 G HN 0.713 nan 8.290 nan 0.000 0.584 285 Y N 0.873 121.191 120.300 0.030 0.000 2.491 285 Y HA 0.462 5.024 4.550 0.021 0.000 0.334 285 Y C 1.348 177.278 175.900 0.051 0.000 0.969 285 Y CA -0.170 57.953 58.100 0.039 0.000 1.241 285 Y CB 1.818 40.309 38.460 0.052 0.000 1.105 285 Y HN 0.531 nan 8.280 nan 0.000 0.503 286 A N 1.579 124.482 122.820 0.139 0.000 2.015 286 A HA -0.172 4.160 4.320 0.021 0.000 0.219 286 A C 1.501 179.174 177.584 0.148 0.000 1.163 286 A CA 1.649 53.753 52.037 0.112 0.000 0.646 286 A CB -0.280 18.744 19.000 0.040 0.000 0.806 286 A HN 0.792 nan 8.150 nan 0.000 0.448 287 D N -0.123 120.358 120.400 0.134 0.000 2.352 287 D HA 0.098 4.751 4.640 0.021 0.000 0.236 287 D C 0.435 176.835 176.300 0.165 0.000 1.148 287 D CA -0.127 53.881 54.000 0.013 0.000 0.844 287 D CB -0.392 40.386 40.800 -0.037 0.000 0.933 287 D HN 0.687 nan 8.370 nan 0.000 0.507 288 R N -2.003 118.739 120.500 0.404 0.000 2.733 288 R HA 0.744 5.097 4.340 0.021 0.000 0.272 288 R C -1.714 174.749 176.300 0.271 0.000 1.029 288 R CA -1.302 55.051 56.100 0.423 0.000 0.888 288 R CB 1.958 32.350 30.300 0.154 0.000 1.251 288 R HN -0.060 nan 8.270 nan 0.000 0.464 289 V N -0.155 119.795 119.914 0.060 0.000 2.924 289 V HA 0.547 4.680 4.120 0.021 0.000 0.300 289 V C -1.706 174.340 176.094 -0.081 0.000 1.227 289 V CA -0.161 62.077 62.300 -0.103 0.000 0.954 289 V CB 2.639 34.235 31.823 -0.378 0.000 1.055 289 V HN 0.898 nan 8.190 nan 0.000 0.429 290 T N 7.919 122.440 114.554 -0.056 0.000 2.786 290 T HA 0.634 4.997 4.350 0.021 0.000 0.283 290 T C -0.283 174.384 174.700 -0.054 0.000 0.992 290 T CA -0.354 61.724 62.100 -0.037 0.000 0.954 290 T CB 0.813 69.674 68.868 -0.011 0.000 0.934 290 T HN 0.699 nan 8.240 nan 0.000 0.440 291 L N 2.495 123.684 121.223 -0.056 0.000 2.358 291 L HA 0.744 5.097 4.340 0.021 0.000 0.268 291 L C 0.174 177.019 176.870 -0.042 0.000 1.032 291 L CA -1.281 53.525 54.840 -0.057 0.000 0.805 291 L CB 1.024 43.042 42.059 -0.069 0.000 1.253 291 L HN 0.391 nan 8.230 nan 0.000 0.452 292 R N 1.477 121.951 120.500 -0.043 0.000 2.502 292 R HA 0.663 5.016 4.340 0.021 0.000 0.298 292 R C -1.471 174.803 176.300 -0.043 0.000 1.018 292 R CA -0.411 55.664 56.100 -0.041 0.000 0.899 292 R CB 1.971 32.247 30.300 -0.040 0.000 1.181 292 R HN 0.507 nan 8.270 nan 0.000 0.444 293 L N 2.643 123.842 121.223 -0.040 0.000 2.346 293 L HA 0.546 4.899 4.340 0.021 0.000 0.276 293 L C -0.622 176.223 176.870 -0.042 0.000 1.006 293 L CA -1.232 53.584 54.840 -0.041 0.000 0.817 293 L CB 1.910 43.946 42.059 -0.038 0.000 1.272 293 L HN 0.503 nan 8.230 nan 0.000 0.421 294 N N 2.106 120.773 118.700 -0.054 0.000 2.422 294 N HA 0.477 5.230 4.740 0.021 0.000 0.266 294 N C -0.960 174.497 175.510 -0.088 0.000 1.007 294 N CA -0.515 52.495 53.050 -0.067 0.000 0.941 294 N CB 1.960 40.411 38.487 -0.060 0.000 1.115 294 N HN 0.249 nan 8.380 nan 0.000 0.492 295 V N 1.521 121.357 119.914 -0.130 0.000 2.378 295 V HA 0.310 4.442 4.120 0.021 0.000 0.288 295 V C -0.009 175.976 176.094 -0.182 0.000 1.016 295 V CA -0.830 61.346 62.300 -0.207 0.000 0.840 295 V CB 1.132 32.701 31.823 -0.423 0.000 0.994 295 V HN 0.546 nan 8.190 nan 0.000 0.431 296 E N 2.548 122.679 120.200 -0.115 0.000 2.319 296 E HA 0.285 4.647 4.350 0.021 0.000 0.268 296 E C 0.511 177.074 176.600 -0.061 0.000 1.050 296 E CA -0.524 55.834 56.400 -0.070 0.000 0.878 296 E CB 0.414 30.091 29.700 -0.039 0.000 1.066 296 E HN 0.691 nan 8.360 nan 0.000 0.406 297 N N 1.157 119.845 118.700 -0.020 0.000 2.701 297 N HA -0.169 4.584 4.740 0.021 0.000 0.257 297 N C -2.324 173.184 175.510 -0.004 0.000 0.969 297 N CA -0.248 52.809 53.050 0.010 0.000 0.786 297 N CB -0.724 37.774 38.487 0.018 0.000 0.917 297 N HN 0.225 nan 8.380 nan 0.000 0.541 298 P HA -0.026 nan 4.420 nan 0.000 0.266 298 P C -0.340 176.986 177.300 0.043 0.000 1.195 298 P CA 0.525 63.520 63.100 -0.174 0.000 0.768 298 P CB 0.669 32.061 31.700 -0.514 0.000 0.838 299 K N 2.973 123.499 120.400 0.210 0.000 2.322 299 K HA 0.299 4.632 4.320 0.021 0.000 0.283 299 K C 0.075 176.864 176.600 0.315 0.000 1.042 299 K CA -0.402 56.023 56.287 0.231 0.000 0.958 299 K CB 0.509 33.129 32.500 0.200 0.000 0.984 299 K HN 0.493 nan 8.250 nan 0.000 0.473 300 L N 3.012 124.344 121.223 0.181 0.000 2.282 300 L HA 0.285 4.638 4.340 0.021 0.000 0.288 300 L C -0.130 176.806 176.870 0.110 0.000 1.033 300 L CA -1.019 53.928 54.840 0.178 0.000 0.807 300 L CB 0.702 42.749 42.059 -0.020 0.000 1.209 300 L HN 0.592 nan 8.230 nan 0.000 0.423 301 W N 4.681 126.041 121.300 0.099 0.000 2.216 301 W HA 0.326 4.998 4.660 0.020 0.000 0.326 301 W C 0.456 176.929 176.519 -0.076 0.000 1.319 301 W CA 0.596 57.968 57.345 0.044 0.000 1.213 301 W CB 0.932 30.456 29.460 0.107 0.000 1.171 301 W HN 0.581 nan 8.180 nan 0.000 0.557 302 S N 3.557 118.600 115.700 -1.095 0.000 2.615 302 S HA 0.614 5.097 4.470 0.021 0.000 0.269 302 S C 0.198 173.966 174.600 -1.386 0.000 1.161 302 S CA -0.272 57.326 58.200 -1.003 0.000 0.817 302 S CB 0.952 63.711 63.200 -0.736 0.000 1.131 302 S HN 1.031 nan 8.310 nan 0.000 0.467 303 A N 0.929 123.209 122.820 -0.899 0.000 2.014 303 A HA 0.103 4.436 4.320 0.021 0.000 0.218 303 A C 1.699 178.952 177.584 -0.552 0.000 1.163 303 A CA 1.524 52.984 52.037 -0.962 0.000 0.652 303 A CB -0.890 17.329 19.000 -1.301 0.000 0.808 303 A HN 0.890 nan 8.150 nan 0.000 0.449 304 E N -0.951 119.056 120.200 -0.322 0.000 2.072 304 E HA 0.084 4.447 4.350 0.021 0.000 0.190 304 E C -0.360 176.111 176.600 -0.215 0.000 0.982 304 E CA 0.682 56.987 56.400 -0.159 0.000 0.803 304 E CB 0.047 29.807 29.700 0.099 0.000 0.755 304 E HN 0.599 nan 8.360 nan 0.000 0.453 305 I N 0.719 121.104 120.570 -0.309 0.000 2.571 305 I HA 0.166 4.349 4.170 0.021 0.000 0.286 305 I C -2.643 173.203 176.117 -0.452 0.000 1.134 305 I CA -2.064 59.074 61.300 -0.270 0.000 1.052 305 I CB 2.847 40.748 38.000 -0.165 0.000 1.237 305 I HN -0.240 nan 8.210 nan 0.000 0.435 306 P HA 0.182 nan 4.420 nan 0.000 0.209 306 P C -0.860 176.433 177.300 -0.012 0.000 1.843 306 P CA -0.530 62.281 63.100 -0.482 0.000 0.985 306 P CB -0.188 31.389 31.700 -0.206 0.000 1.904 307 N N 1.850 120.565 118.700 0.024 0.000 2.417 307 N HA 0.025 4.778 4.740 0.021 0.000 0.272 307 N C -0.138 175.622 175.510 0.416 0.000 1.304 307 N CA 0.758 53.918 53.050 0.183 0.000 0.906 307 N CB 0.371 38.969 38.487 0.186 0.000 1.135 307 N HN 0.313 nan 8.380 nan 0.000 0.483 308 L N 3.016 124.411 121.223 0.288 0.000 2.346 308 L HA 0.461 4.814 4.340 0.021 0.000 0.274 308 L C -0.661 176.322 176.870 0.187 0.000 1.007 308 L CA -0.854 54.186 54.840 0.333 0.000 0.818 308 L CB 1.060 43.262 42.059 0.238 0.000 1.284 308 L HN 0.354 nan 8.230 nan 0.000 0.424 309 Y N 0.921 121.352 120.300 0.219 0.000 2.621 309 Y HA 0.639 5.202 4.550 0.022 0.000 0.334 309 Y C -0.109 175.889 175.900 0.162 0.000 1.074 309 Y CA -1.086 57.146 58.100 0.220 0.000 1.149 309 Y CB 1.417 40.060 38.460 0.305 0.000 1.302 309 Y HN 0.393 nan 8.280 nan 0.000 0.501 310 R N 0.963 121.680 120.500 0.363 0.000 2.494 310 R HA 0.818 5.171 4.340 0.021 0.000 0.305 310 R C -1.592 174.875 176.300 0.278 0.000 0.959 310 R CA -0.592 55.657 56.100 0.249 0.000 0.864 310 R CB 1.136 31.540 30.300 0.173 0.000 1.159 310 R HN 0.765 nan 8.270 nan 0.000 0.446 311 A N 4.125 127.055 122.820 0.182 0.000 2.260 311 A HA 0.549 4.882 4.320 0.021 0.000 0.314 311 A C -0.977 176.669 177.584 0.103 0.000 1.257 311 A CA -0.673 51.454 52.037 0.150 0.000 0.871 311 A CB 1.080 20.142 19.000 0.103 0.000 1.166 311 A HN 0.494 nan 8.150 nan 0.000 0.522 312 V N 3.833 123.830 119.914 0.138 0.000 2.347 312 V HA 0.348 4.481 4.120 0.021 0.000 0.280 312 V C -0.201 175.884 176.094 -0.014 0.000 1.021 312 V CA -0.468 61.867 62.300 0.058 0.000 0.847 312 V CB 1.222 33.092 31.823 0.078 0.000 0.990 312 V HN 0.589 nan 8.190 nan 0.000 0.444 313 V N 5.149 124.993 119.914 -0.117 0.000 2.347 313 V HA 0.480 4.612 4.120 0.021 0.000 0.280 313 V C -0.200 175.839 176.094 -0.092 0.000 1.021 313 V CA -0.589 61.609 62.300 -0.169 0.000 0.847 313 V CB 1.286 32.858 31.823 -0.418 0.000 0.990 313 V HN 0.989 nan 8.190 nan 0.000 0.444 314 E N 4.427 124.621 120.200 -0.010 0.000 2.210 314 E HA 0.606 4.969 4.350 0.021 0.000 0.266 314 E C -1.113 175.552 176.600 0.108 0.000 0.883 314 E CA -0.827 55.626 56.400 0.088 0.000 0.761 314 E CB 2.671 32.475 29.700 0.173 0.000 1.156 314 E HN 0.464 nan 8.360 nan 0.000 0.412 315 L N 4.290 125.564 121.223 0.085 0.000 2.295 315 L HA 0.431 4.783 4.340 0.021 0.000 0.281 315 L C -1.237 175.692 176.870 0.099 0.000 1.018 315 L CA -0.004 54.859 54.840 0.037 0.000 0.841 315 L CB -0.289 41.788 42.059 0.030 0.000 1.218 315 L HN 0.750 nan 8.230 nan 0.000 0.424 316 H N 0.396 119.508 119.070 0.069 0.000 2.947 316 H HA 0.862 5.430 4.556 0.021 0.000 0.290 316 H C -0.608 174.789 175.328 0.115 0.000 1.430 316 H CA -0.481 55.609 56.048 0.070 0.000 1.189 316 H CB 0.870 30.657 29.762 0.041 0.000 1.875 316 H HN 0.373 nan 8.280 nan 0.000 0.568 317 T N -2.538 112.189 114.554 0.289 0.000 2.952 317 T HA 0.556 4.919 4.350 0.021 0.000 0.286 317 T C 1.449 176.332 174.700 0.305 0.000 1.024 317 T CA -0.411 61.844 62.100 0.259 0.000 1.029 317 T CB 1.540 70.493 68.868 0.142 0.000 1.094 317 T HN 0.960 nan 8.240 nan 0.000 0.515 318 A N 1.359 124.320 122.820 0.234 0.000 1.971 318 A HA -0.182 4.151 4.320 0.021 0.000 0.222 318 A C 1.905 179.567 177.584 0.130 0.000 1.182 318 A CA 2.254 54.398 52.037 0.179 0.000 0.649 318 A CB -1.132 17.968 19.000 0.167 0.000 0.818 318 A HN 1.006 nan 8.150 nan 0.000 0.458 319 D N -1.915 118.538 120.400 0.088 0.000 2.349 319 D HA 0.238 4.891 4.640 0.021 0.000 0.224 319 D C 1.151 177.470 176.300 0.031 0.000 1.029 319 D CA 1.133 55.155 54.000 0.036 0.000 0.879 319 D CB -0.544 40.248 40.800 -0.014 0.000 0.906 319 D HN 0.911 nan 8.370 nan 0.000 0.528 320 G N -0.442 108.396 108.800 0.062 0.000 2.175 320 G HA2 -0.248 3.725 3.960 0.021 0.000 0.244 320 G HA3 -0.248 3.725 3.960 0.021 0.000 0.244 320 G C 0.377 175.277 174.900 0.001 0.000 0.982 320 G CA 0.265 45.359 45.100 -0.011 0.000 0.641 320 G HN 0.430 nan 8.290 nan 0.000 0.527 321 T N 1.840 116.426 114.554 0.055 0.000 2.751 321 T HA 0.417 4.780 4.350 0.021 0.000 0.290 321 T C 0.495 175.257 174.700 0.103 0.000 0.919 321 T CA -0.018 62.112 62.100 0.051 0.000 1.136 321 T CB 1.043 69.924 68.868 0.023 0.000 0.875 321 T HN 0.548 nan 8.240 nan 0.000 0.532 322 L N 5.689 126.951 121.223 0.065 0.000 2.455 322 L HA 0.256 4.608 4.340 0.021 0.000 0.272 322 L C 0.932 177.852 176.870 0.084 0.000 1.174 322 L CA 0.530 55.427 54.840 0.094 0.000 0.869 322 L CB 0.122 42.211 42.059 0.051 0.000 1.130 322 L HN 0.679 nan 8.230 nan 0.000 0.474 323 I N 2.588 123.217 120.570 0.097 0.000 2.729 323 I HA 0.138 4.320 4.170 0.021 0.000 0.256 323 I C 0.114 176.245 176.117 0.024 0.000 1.115 323 I CA 0.360 61.692 61.300 0.053 0.000 1.446 323 I CB 0.166 38.196 38.000 0.050 0.000 1.176 323 I HN 0.811 nan 8.210 nan 0.000 0.446 324 E N 0.213 120.432 120.200 0.031 0.000 2.392 324 E HA 0.667 5.030 4.350 0.021 0.000 0.281 324 E C -1.463 175.153 176.600 0.027 0.000 1.088 324 E CA -0.973 55.435 56.400 0.013 0.000 0.850 324 E CB 1.450 31.118 29.700 -0.053 0.000 1.267 324 E HN 0.002 nan 8.360 nan 0.000 0.438 325 A N 1.317 124.177 122.820 0.066 0.000 2.435 325 A HA 0.779 5.112 4.320 0.021 0.000 0.304 325 A C -1.054 176.615 177.584 0.141 0.000 1.064 325 A CA -0.715 51.363 52.037 0.068 0.000 0.727 325 A CB 1.669 20.706 19.000 0.061 0.000 1.284 325 A HN 0.497 nan 8.150 nan 0.000 0.415 326 E N -0.464 119.753 120.200 0.028 0.000 2.369 326 E HA 0.800 5.162 4.350 0.021 0.000 0.270 326 E C -0.575 176.025 176.600 0.001 0.000 0.909 326 E CA -0.478 55.980 56.400 0.096 0.000 0.775 326 E CB 2.424 32.084 29.700 -0.067 0.000 1.270 326 E HN 1.101 nan 8.360 nan 0.000 0.445 327 A N 0.101 123.044 122.820 0.204 0.000 2.588 327 A HA 0.850 5.183 4.320 0.021 0.000 0.290 327 A C -1.224 176.533 177.584 0.290 0.000 1.136 327 A CA -0.298 51.800 52.037 0.103 0.000 0.681 327 A CB 1.150 20.088 19.000 -0.102 0.000 1.282 327 A HN 0.982 nan 8.150 nan 0.000 0.421 328 C N -0.476 118.943 119.300 0.198 0.000 3.289 328 C HA 0.639 5.112 4.460 0.021 0.000 0.354 328 C C -1.852 173.201 174.990 0.104 0.000 1.201 328 C CA -0.999 58.128 59.018 0.181 0.000 1.199 328 C CB 0.744 28.628 27.740 0.240 0.000 1.511 328 C HN 0.832 nan 8.230 nan 0.000 0.506 329 D N 1.854 122.290 120.400 0.060 0.000 2.308 329 D HA 0.473 5.126 4.640 0.021 0.000 0.251 329 D C -0.234 176.074 176.300 0.013 0.000 1.127 329 D CA 0.227 54.266 54.000 0.064 0.000 0.876 329 D CB 1.951 42.797 40.800 0.077 0.000 1.176 329 D HN 0.564 nan 8.370 nan 0.000 0.446 330 V N 1.575 121.523 119.914 0.056 0.000 2.409 330 V HA 0.566 4.699 4.120 0.021 0.000 0.291 330 V C 0.670 176.789 176.094 0.042 0.000 1.020 330 V CA -0.837 61.439 62.300 -0.041 0.000 0.848 330 V CB 1.884 33.643 31.823 -0.107 0.000 0.990 330 V HN 0.610 nan 8.190 nan 0.000 0.430 331 G N 3.585 112.318 108.800 -0.112 0.000 2.437 331 G HA2 0.605 4.578 3.960 0.021 0.000 0.315 331 G HA3 0.605 4.578 3.960 0.021 0.000 0.315 331 G C -0.926 174.002 174.900 0.047 0.000 1.210 331 G CA -0.370 44.758 45.100 0.046 0.000 0.943 331 G HN 0.444 nan 8.290 nan 0.000 0.471 332 F N 3.921 124.042 119.950 0.285 0.000 2.438 332 F HA 0.508 5.047 4.527 0.021 0.000 0.360 332 F C 0.942 177.017 175.800 0.459 0.000 1.118 332 F CA -0.244 57.967 58.000 0.351 0.000 1.164 332 F CB 0.871 40.083 39.000 0.354 0.000 1.131 332 F HN 0.463 nan 8.300 nan 0.000 0.527 333 R N 2.922 123.787 120.500 0.609 0.000 2.663 333 R HA 0.382 4.735 4.340 0.021 0.000 0.267 333 R C -1.863 174.680 176.300 0.406 0.000 1.038 333 R CA -0.975 55.358 56.100 0.388 0.000 0.886 333 R CB 1.265 31.756 30.300 0.320 0.000 1.249 333 R HN 0.611 nan 8.270 nan 0.000 0.463 334 E N 2.664 122.984 120.200 0.200 0.000 2.235 334 E HA 0.367 4.730 4.350 0.021 0.000 0.252 334 E C -1.144 175.541 176.600 0.142 0.000 0.886 334 E CA -0.742 55.806 56.400 0.247 0.000 0.767 334 E CB 1.792 31.692 29.700 0.333 0.000 1.205 334 E HN 0.413 nan 8.360 nan 0.000 0.421 335 V N 6.098 126.085 119.914 0.121 0.000 2.406 335 V HA 0.496 4.629 4.120 0.021 0.000 0.272 335 V C 0.208 176.342 176.094 0.068 0.000 1.043 335 V CA -0.205 62.133 62.300 0.064 0.000 0.915 335 V CB 0.866 32.707 31.823 0.030 0.000 0.988 335 V HN 0.669 nan 8.190 nan 0.000 0.466 336 R N 4.666 125.198 120.500 0.054 0.000 2.664 336 R HA 0.576 4.929 4.340 0.021 0.000 0.266 336 R C -2.135 174.188 176.300 0.038 0.000 1.046 336 R CA -0.919 55.214 56.100 0.055 0.000 0.885 336 R CB 1.619 31.964 30.300 0.076 0.000 1.254 336 R HN 0.511 nan 8.270 nan 0.000 0.465 337 I N 2.022 122.614 120.570 0.037 0.000 2.330 337 I HA 0.306 4.488 4.170 0.021 0.000 0.286 337 I C -0.313 175.822 176.117 0.030 0.000 1.025 337 I CA -0.300 61.016 61.300 0.027 0.000 1.197 337 I CB 1.486 39.503 38.000 0.028 0.000 1.358 337 I HN 0.596 nan 8.210 nan 0.000 0.467 338 E N 6.122 126.337 120.200 0.026 0.000 2.248 338 E HA 0.241 4.604 4.350 0.021 0.000 0.267 338 E C -0.102 176.508 176.600 0.017 0.000 0.877 338 E CA -0.604 55.812 56.400 0.026 0.000 0.759 338 E CB 1.177 30.898 29.700 0.034 0.000 1.182 338 E HN 0.531 nan 8.360 nan 0.000 0.418 339 N N 2.749 121.459 118.700 0.016 0.000 2.693 339 N HA -0.237 4.515 4.740 0.021 0.000 0.249 339 N C 0.381 175.894 175.510 0.006 0.000 1.119 339 N CA 1.932 54.989 53.050 0.010 0.000 0.717 339 N CB -1.172 37.320 38.487 0.008 0.000 1.071 339 N HN 0.926 nan 8.380 nan 0.000 0.555 340 G N -2.375 106.429 108.800 0.007 0.000 2.157 340 G HA2 -0.257 3.716 3.960 0.021 0.000 0.239 340 G HA3 -0.257 3.716 3.960 0.021 0.000 0.239 340 G C -0.167 174.729 174.900 -0.008 0.000 0.982 340 G CA 0.358 45.459 45.100 0.002 0.000 0.650 340 G HN 0.431 nan 8.290 nan 0.000 0.527 341 L N 0.050 121.268 121.223 -0.008 0.000 2.362 341 L HA 0.686 5.039 4.340 0.021 0.000 0.271 341 L C 0.088 176.948 176.870 -0.017 0.000 1.002 341 L CA -1.380 53.448 54.840 -0.020 0.000 0.818 341 L CB 1.787 43.832 42.059 -0.023 0.000 1.298 341 L HN 0.053 nan 8.230 nan 0.000 0.420 342 L N 3.953 125.156 121.223 -0.033 0.000 2.367 342 L HA 0.438 4.790 4.340 0.021 0.000 0.275 342 L C -0.713 176.137 176.870 -0.034 0.000 1.129 342 L CA 0.423 55.244 54.840 -0.032 0.000 0.839 342 L CB 0.510 42.536 42.059 -0.055 0.000 1.133 342 L HN 0.361 nan 8.230 nan 0.000 0.453 343 L N 5.748 126.963 121.223 -0.012 0.000 2.408 343 L HA 0.556 4.909 4.340 0.021 0.000 0.268 343 L C -1.149 175.728 176.870 0.011 0.000 0.986 343 L CA -0.859 53.980 54.840 -0.003 0.000 0.820 343 L CB 1.942 44.015 42.059 0.024 0.000 1.303 343 L HN 0.445 nan 8.230 nan 0.000 0.411 344 L N 3.721 124.958 121.223 0.024 0.000 2.325 344 L HA 0.569 4.922 4.340 0.021 0.000 0.281 344 L C -0.056 176.881 176.870 0.112 0.000 1.004 344 L CA 0.098 54.969 54.840 0.051 0.000 0.823 344 L CB 1.053 43.111 42.059 -0.001 0.000 1.236 344 L HN 0.623 nan 8.230 nan 0.000 0.415 345 N N 4.372 123.058 118.700 -0.024 0.000 2.714 345 N HA -0.222 4.531 4.740 0.021 0.000 0.252 345 N C 0.994 176.297 175.510 -0.345 0.000 1.014 345 N CA 1.233 54.081 53.050 -0.336 0.000 0.735 345 N CB -1.299 36.879 38.487 -0.515 0.000 0.924 345 N HN 1.312 nan 8.380 nan 0.000 0.540 346 G N -1.372 107.396 108.800 -0.053 0.000 2.189 346 G HA2 -0.367 3.606 3.960 0.021 0.000 0.267 346 G HA3 -0.367 3.606 3.960 0.021 0.000 0.267 346 G C -0.004 174.892 174.900 -0.006 0.000 0.975 346 G CA 1.076 46.201 45.100 0.040 0.000 0.644 346 G HN 0.566 nan 8.290 nan 0.000 0.537 347 K N 1.040 121.428 120.400 -0.019 0.000 2.270 347 K HA 0.505 4.838 4.320 0.021 0.000 0.255 347 K C -2.762 173.799 176.600 -0.066 0.000 0.936 347 K CA -2.160 54.070 56.287 -0.095 0.000 0.809 347 K CB 2.784 35.106 32.500 -0.295 0.000 1.131 347 K HN -0.014 nan 8.250 nan 0.000 0.427 348 P HA 0.116 nan 4.420 nan 0.000 0.276 348 P C -0.777 176.465 177.300 -0.096 0.000 1.243 348 P CA -0.177 62.877 63.100 -0.076 0.000 0.768 348 P CB 0.471 32.128 31.700 -0.072 0.000 0.856 349 L N 3.041 124.206 121.223 -0.097 0.000 2.431 349 L HA 0.533 4.886 4.340 0.021 0.000 0.260 349 L C 0.365 177.167 176.870 -0.113 0.000 1.098 349 L CA -1.032 53.749 54.840 -0.098 0.000 0.800 349 L CB 0.260 42.238 42.059 -0.135 0.000 1.210 349 L HN 0.172 nan 8.230 nan 0.000 0.465 350 L N 2.271 123.446 121.223 -0.080 0.000 2.377 350 L HA 0.454 4.807 4.340 0.021 0.000 0.270 350 L C -0.631 176.200 176.870 -0.066 0.000 0.991 350 L CA -0.250 54.523 54.840 -0.112 0.000 0.851 350 L CB 1.005 43.018 42.059 -0.077 0.000 1.218 350 L HN 0.281 nan 8.230 nan 0.000 0.420 351 I N 4.742 125.208 120.570 -0.173 0.000 2.396 351 I HA 0.239 4.422 4.170 0.021 0.000 0.289 351 I C 0.481 176.555 176.117 -0.072 0.000 1.056 351 I CA -0.010 61.189 61.300 -0.168 0.000 1.365 351 I CB 0.531 38.320 38.000 -0.351 0.000 1.407 351 I HN 0.548 nan 8.210 nan 0.000 0.509 352 R N 4.917 125.440 120.500 0.039 0.000 3.050 352 R HA 0.463 4.816 4.340 0.021 0.000 0.275 352 R C 0.459 176.810 176.300 0.084 0.000 1.373 352 R CA -0.355 55.809 56.100 0.107 0.000 1.612 352 R CB 0.779 30.969 30.300 -0.183 0.000 1.218 352 R HN 0.754 nan 8.270 nan 0.000 0.621 353 G N 0.296 109.094 108.800 -0.002 0.000 2.462 353 G HA2 0.514 4.487 3.960 0.021 0.000 0.319 353 G HA3 0.514 4.487 3.960 0.021 0.000 0.319 353 G C -1.072 174.046 174.900 0.365 0.000 1.171 353 G CA -0.461 44.533 45.100 -0.176 0.000 0.920 353 G HN 0.194 nan 8.290 nan 0.000 0.499 354 V N 0.783 120.938 119.914 0.402 0.000 2.851 354 V HA 0.418 4.550 4.120 0.021 0.000 0.307 354 V C -1.040 175.231 176.094 0.295 0.000 1.129 354 V CA -1.225 61.259 62.300 0.305 0.000 0.932 354 V CB 2.097 33.859 31.823 -0.101 0.000 1.024 354 V HN 0.770 nan 8.190 nan 0.000 0.426 355 N N 4.424 123.219 118.700 0.158 0.000 2.530 355 N HA 0.431 5.184 4.740 0.021 0.000 0.273 355 N C -0.655 174.707 175.510 -0.246 0.000 1.173 355 N CA -0.175 52.839 53.050 -0.062 0.000 0.967 355 N CB 1.314 39.749 38.487 -0.086 0.000 1.109 355 N HN 0.616 nan 8.380 nan 0.000 0.453 356 R N 1.769 122.065 120.500 -0.339 0.000 2.515 356 R HA 0.213 4.566 4.340 0.021 0.000 0.291 356 R C -1.244 174.785 176.300 -0.451 0.000 1.046 356 R CA -0.551 55.340 56.100 -0.349 0.000 0.914 356 R CB 0.867 30.955 30.300 -0.353 0.000 1.191 356 R HN 0.599 nan 8.270 nan 0.000 0.435 357 H N 2.118 121.065 119.070 -0.205 0.000 2.472 357 H HA 0.182 4.751 4.556 0.022 0.000 0.335 357 H C -0.583 174.760 175.328 0.025 0.000 1.136 357 H CA -0.195 55.822 56.048 -0.051 0.000 1.264 357 H CB 1.760 31.536 29.762 0.024 0.000 1.486 357 H HN 0.533 nan 8.280 nan 0.000 0.517 358 E N 2.331 122.734 120.200 0.338 0.000 1.941 358 E HA 0.103 4.465 4.350 0.021 0.000 0.275 358 E C -0.749 176.023 176.600 0.287 0.000 1.113 358 E CA -0.054 56.475 56.400 0.216 0.000 0.878 358 E CB 0.263 30.099 29.700 0.228 0.000 1.070 358 E HN 0.410 nan 8.360 nan 0.000 0.399 359 H N 1.804 120.960 119.070 0.143 0.000 2.966 359 H HA 0.199 4.767 4.556 0.021 0.000 0.347 359 H C -1.651 173.757 175.328 0.132 0.000 1.048 359 H CA -0.676 55.449 56.048 0.129 0.000 1.295 359 H CB 0.897 30.720 29.762 0.102 0.000 1.744 359 H HN 0.393 nan 8.280 nan 0.000 0.513 360 H N 6.902 125.746 119.070 -0.376 0.000 2.589 360 H HA 0.217 4.786 4.556 0.021 0.000 0.335 360 H C -2.181 172.728 175.328 -0.700 0.000 1.019 360 H CA -2.533 53.285 56.048 -0.383 0.000 1.213 360 H CB 2.402 32.086 29.762 -0.130 0.000 1.472 360 H HN 0.544 nan 8.280 nan 0.000 0.508 361 P HA -0.151 nan 4.420 nan 0.000 0.217 361 P C 1.399 178.552 177.300 -0.245 0.000 1.148 361 P CA 0.958 63.807 63.100 -0.418 0.000 0.828 361 P CB 0.767 32.299 31.700 -0.281 0.000 0.783 362 L N -1.832 119.336 121.223 -0.091 0.000 2.200 362 L HA 0.035 4.388 4.340 0.021 0.000 0.200 362 L C 2.452 179.351 176.870 0.048 0.000 1.072 362 L CA 0.966 55.777 54.840 -0.048 0.000 0.787 362 L CB -0.726 41.202 42.059 -0.218 0.000 0.957 362 L HN 0.039 nan 8.230 nan 0.000 0.459 363 H N -0.785 118.402 119.070 0.195 0.000 2.539 363 H HA 0.165 4.734 4.556 0.021 0.000 0.269 363 H C 1.501 176.764 175.328 -0.109 0.000 0.980 363 H CA 0.036 56.015 56.048 -0.115 0.000 1.152 363 H CB 0.434 29.942 29.762 -0.424 0.000 1.407 363 H HN 0.450 nan 8.280 nan 0.000 0.564 364 G N 1.680 110.457 108.800 -0.039 0.000 2.574 364 G HA2 -0.401 3.571 3.960 0.021 0.000 0.301 364 G HA3 -0.401 3.571 3.960 0.021 0.000 0.301 364 G C 0.499 175.384 174.900 -0.026 0.000 1.166 364 G CA 0.368 45.395 45.100 -0.122 0.000 0.971 364 G HN 0.475 nan 8.290 nan 0.000 0.542 365 Q N 0.124 119.925 119.800 0.002 0.000 2.237 365 Q HA 0.534 4.887 4.340 0.021 0.000 0.252 365 Q C -0.279 175.831 176.000 0.183 0.000 0.877 365 Q CA -0.201 55.640 55.803 0.064 0.000 1.011 365 Q CB 1.163 29.850 28.738 -0.085 0.000 1.118 365 Q HN 0.330 nan 8.270 nan 0.000 0.458 366 V N 1.529 121.521 119.914 0.129 0.000 2.417 366 V HA 0.359 4.492 4.120 0.021 0.000 0.291 366 V C -0.209 175.946 176.094 0.102 0.000 1.024 366 V CA -0.640 61.729 62.300 0.114 0.000 0.861 366 V CB 1.553 33.379 31.823 0.004 0.000 0.985 366 V HN 0.361 nan 8.190 nan 0.000 0.436 367 M N 4.954 124.629 119.600 0.126 0.000 2.409 367 M HA 0.552 5.044 4.480 0.021 0.000 0.329 367 M C -0.429 175.879 176.300 0.013 0.000 1.180 367 M CA -0.827 54.527 55.300 0.090 0.000 1.053 367 M CB 1.487 34.146 32.600 0.098 0.000 1.586 367 M HN 0.841 nan 8.290 nan 0.000 0.461 368 D N -0.057 120.342 120.400 -0.001 0.000 2.859 368 D HA 0.179 4.832 4.640 0.021 0.000 0.223 368 D C 0.028 176.331 176.300 0.004 0.000 1.218 368 D CA -0.411 53.577 54.000 -0.020 0.000 0.850 368 D CB 1.511 42.321 40.800 0.017 0.000 1.656 368 D HN 0.653 nan 8.370 nan 0.000 0.484 369 E N 0.537 120.730 120.200 -0.012 0.000 2.172 369 E HA -0.329 4.034 4.350 0.021 0.000 0.213 369 E C 1.642 178.289 176.600 0.079 0.000 1.051 369 E CA 2.085 58.507 56.400 0.036 0.000 0.860 369 E CB 0.186 29.916 29.700 0.050 0.000 0.755 369 E HN 0.417 nan 8.360 nan 0.000 0.462 370 Q N -0.499 119.350 119.800 0.081 0.000 1.967 370 Q HA -0.203 4.150 4.340 0.021 0.000 0.210 370 Q C 2.420 178.491 176.000 0.118 0.000 1.005 370 Q CA 2.442 58.304 55.803 0.098 0.000 0.862 370 Q CB -0.785 28.013 28.738 0.101 0.000 0.939 370 Q HN 0.394 nan 8.270 nan 0.000 0.417 371 T N 2.060 116.699 114.554 0.143 0.000 2.699 371 T HA -0.200 4.163 4.350 0.021 0.000 0.268 371 T C 2.019 176.826 174.700 0.179 0.000 1.036 371 T CA 1.916 64.119 62.100 0.173 0.000 1.147 371 T CB -0.262 68.734 68.868 0.214 0.000 0.862 371 T HN 0.280 nan 8.240 nan 0.000 0.446 372 M N 0.826 120.533 119.600 0.178 0.000 2.084 372 M HA -0.086 4.406 4.480 0.021 0.000 0.259 372 M C 2.531 178.961 176.300 0.217 0.000 1.072 372 M CA 1.498 56.970 55.300 0.288 0.000 1.107 372 M CB -1.339 31.481 32.600 0.367 0.000 1.299 372 M HN 0.070 nan 8.290 nan 0.000 0.413 373 V N 0.672 120.649 119.914 0.105 0.000 2.317 373 V HA -0.315 3.818 4.120 0.021 0.000 0.251 373 V C 2.552 178.630 176.094 -0.027 0.000 1.065 373 V CA 2.245 64.530 62.300 -0.025 0.000 1.049 373 V CB -1.073 30.760 31.823 0.016 0.000 0.651 373 V HN 0.572 nan 8.190 nan 0.000 0.450 374 Q N -0.615 119.227 119.800 0.070 0.000 2.135 374 Q HA -0.269 4.084 4.340 0.021 0.000 0.204 374 Q C 2.016 178.112 176.000 0.159 0.000 0.981 374 Q CA 2.012 57.877 55.803 0.103 0.000 0.856 374 Q CB -0.113 28.701 28.738 0.128 0.000 0.902 374 Q HN 0.658 nan 8.270 nan 0.000 0.425 375 D N 0.243 120.767 120.400 0.206 0.000 2.084 375 D HA -0.133 4.520 4.640 0.021 0.000 0.194 375 D C 1.864 178.149 176.300 -0.025 0.000 0.990 375 D CA 0.968 55.118 54.000 0.250 0.000 0.826 375 D CB -0.222 40.714 40.800 0.228 0.000 0.971 375 D HN 0.285 nan 8.370 nan 0.000 0.453 376 I N 0.582 121.118 120.570 -0.057 0.000 2.163 376 I HA -0.259 3.924 4.170 0.021 0.000 0.243 376 I C 2.389 178.384 176.117 -0.203 0.000 1.085 376 I CA 0.739 61.904 61.300 -0.225 0.000 1.347 376 I CB -0.098 37.673 38.000 -0.380 0.000 1.044 376 I HN 0.023 nan 8.210 nan 0.000 0.408 377 L N -0.112 121.023 121.223 -0.146 0.000 2.017 377 L HA -0.256 4.096 4.340 0.021 0.000 0.208 377 L C 2.581 179.515 176.870 0.108 0.000 1.073 377 L CA 1.415 56.245 54.840 -0.018 0.000 0.745 377 L CB -0.631 41.434 42.059 0.011 0.000 0.894 377 L HN 0.301 nan 8.230 nan 0.000 0.432 378 L N -0.894 120.413 121.223 0.140 0.000 2.043 378 L HA -0.304 4.049 4.340 0.021 0.000 0.212 378 L C 2.718 179.751 176.870 0.272 0.000 1.075 378 L CA 1.528 56.526 54.840 0.262 0.000 0.752 378 L CB -0.199 42.103 42.059 0.404 0.000 0.891 378 L HN 0.350 nan 8.230 nan 0.000 0.432 379 M N -0.822 118.804 119.600 0.043 0.000 2.086 379 M HA -0.252 4.241 4.480 0.021 0.000 0.261 379 M C 2.240 178.621 176.300 0.135 0.000 1.067 379 M CA 1.858 57.088 55.300 -0.116 0.000 1.116 379 M CB -0.079 32.244 32.600 -0.462 0.000 1.348 379 M HN 0.086 nan 8.290 nan 0.000 0.407 380 K N -0.429 119.969 120.400 -0.004 0.000 2.155 380 K HA -0.144 4.189 4.320 0.021 0.000 0.203 380 K C 1.795 178.428 176.600 0.056 0.000 1.052 380 K CA 1.049 57.250 56.287 -0.143 0.000 0.948 380 K CB -0.114 32.072 32.500 -0.524 0.000 0.728 380 K HN 0.449 nan 8.250 nan 0.000 0.448 381 Q N 0.426 120.390 119.800 0.275 0.000 2.437 381 Q HA -0.015 4.338 4.340 0.021 0.000 0.210 381 Q C 0.985 177.287 176.000 0.503 0.000 0.972 381 Q CA 0.689 56.740 55.803 0.412 0.000 0.903 381 Q CB 0.163 29.101 28.738 0.333 0.000 0.967 381 Q HN 0.230 nan 8.270 nan 0.000 0.486 382 N N 0.300 119.262 118.700 0.438 0.000 2.235 382 N HA 0.044 4.797 4.740 0.021 0.000 0.209 382 N C -0.534 175.120 175.510 0.241 0.000 1.122 382 N CA 0.096 53.417 53.050 0.453 0.000 0.845 382 N CB 0.682 39.533 38.487 0.607 0.000 1.004 382 N HN 0.145 nan 8.380 nan 0.000 0.499 383 N N -0.108 118.713 118.700 0.202 0.000 2.869 383 N HA -0.167 4.586 4.740 0.021 0.000 0.249 383 N C -1.063 174.305 175.510 -0.237 0.000 1.104 383 N CA 0.630 53.698 53.050 0.030 0.000 0.760 383 N CB -1.818 36.596 38.487 -0.121 0.000 1.108 383 N HN 0.204 nan 8.380 nan 0.000 0.555 384 F N 0.981 120.940 119.950 0.015 0.000 2.399 384 F HA 0.378 4.917 4.527 0.021 0.000 0.334 384 F C 1.688 177.457 175.800 -0.052 0.000 1.097 384 F CA -0.635 57.348 58.000 -0.027 0.000 1.076 384 F CB 1.012 39.977 39.000 -0.058 0.000 1.162 384 F HN 0.034 nan 8.300 nan 0.000 0.495 385 N N 0.866 119.642 118.700 0.128 0.000 2.143 385 N HA 0.430 5.183 4.740 0.021 0.000 0.222 385 N C -0.739 174.744 175.510 -0.045 0.000 1.264 385 N CA 0.009 53.054 53.050 -0.010 0.000 0.897 385 N CB 0.795 39.296 38.487 0.023 0.000 1.092 385 N HN 0.455 nan 8.380 nan 0.000 0.516 386 A N -0.423 122.451 122.820 0.089 0.000 2.606 386 A HA 0.744 5.077 4.320 0.021 0.000 0.293 386 A C -1.782 175.953 177.584 0.251 0.000 1.082 386 A CA -0.695 51.448 52.037 0.176 0.000 0.685 386 A CB 1.778 20.936 19.000 0.262 0.000 1.284 386 A HN 0.218 nan 8.150 nan 0.000 0.408 387 V N 1.316 121.470 119.914 0.400 0.000 2.760 387 V HA 0.749 4.882 4.120 0.021 0.000 0.309 387 V C -0.393 175.952 176.094 0.419 0.000 1.077 387 V CA -0.770 61.778 62.300 0.413 0.000 0.910 387 V CB 1.731 33.701 31.823 0.246 0.000 1.008 387 V HN 1.083 nan 8.190 nan 0.000 0.424 388 R N 4.953 125.561 120.500 0.180 0.000 2.368 388 R HA 0.426 4.779 4.340 0.021 0.000 0.302 388 R C -0.736 175.436 176.300 -0.213 0.000 1.002 388 R CA -0.476 55.439 56.100 -0.309 0.000 0.929 388 R CB 1.031 30.807 30.300 -0.873 0.000 1.073 388 R HN 0.820 nan 8.270 nan 0.000 0.464 389 C N 4.217 123.404 119.300 -0.189 0.000 2.756 389 C HA 0.108 4.581 4.460 0.021 0.000 0.504 389 C C 0.667 175.373 174.990 -0.474 0.000 1.028 389 C CA -0.427 58.430 59.018 -0.268 0.000 1.167 389 C CB -1.839 25.842 27.740 -0.098 0.000 1.444 389 C HN 0.680 nan 8.230 nan 0.000 0.577 390 S N 1.721 117.005 115.700 -0.693 0.000 2.429 390 S HA 0.173 4.656 4.470 0.021 0.000 0.292 390 S C -0.010 173.680 174.600 -1.517 0.000 1.183 390 S CA 0.177 57.655 58.200 -1.202 0.000 1.088 390 S CB -0.090 62.444 63.200 -1.109 0.000 1.018 390 S HN 0.747 nan 8.310 nan 0.000 0.511 391 H N 3.656 122.108 119.070 -1.030 0.000 2.825 391 H HA 0.284 4.852 4.556 0.021 0.000 0.226 391 H C -1.082 174.129 175.328 -0.195 0.000 1.414 391 H CA -0.332 55.483 56.048 -0.388 0.000 1.198 391 H CB -0.119 29.628 29.762 -0.025 0.000 2.013 391 H HN 0.882 nan 8.280 nan 0.000 0.530 392 Y N -2.640 117.754 120.300 0.157 0.000 2.779 392 Y HA 0.500 5.063 4.550 0.022 0.000 0.340 392 Y C -3.312 172.683 175.900 0.158 0.000 1.252 392 Y CA -3.232 54.968 58.100 0.167 0.000 1.072 392 Y CB -0.006 38.556 38.460 0.170 0.000 1.343 392 Y HN -0.176 nan 8.280 nan 0.000 0.450 393 P HA 0.269 nan 4.420 nan 0.000 0.280 393 P C -0.802 176.776 177.300 0.463 0.000 1.244 393 P CA 0.016 63.364 63.100 0.412 0.000 0.784 393 P CB 0.833 32.720 31.700 0.312 0.000 0.913 394 N N 0.615 119.579 118.700 0.440 0.000 2.364 394 N HA 0.057 4.809 4.740 0.021 0.000 0.264 394 N C 0.323 176.055 175.510 0.371 0.000 1.263 394 N CA -0.564 52.662 53.050 0.293 0.000 0.959 394 N CB 0.256 38.681 38.487 -0.104 0.000 1.204 394 N HN 0.574 nan 8.380 nan 0.000 0.550 395 H N 1.776 120.960 119.070 0.190 0.000 3.004 395 H HA 0.018 4.587 4.556 0.021 0.000 0.316 395 H C -1.688 173.847 175.328 0.345 0.000 1.014 395 H CA -1.262 54.904 56.048 0.196 0.000 1.454 395 H CB 0.884 30.723 29.762 0.128 0.000 1.472 395 H HN 0.408 nan 8.280 nan 0.000 0.571 396 P HA -0.258 nan 4.420 nan 0.000 0.219 396 P C 1.764 179.438 177.300 0.623 0.000 1.151 396 P CA 0.929 64.322 63.100 0.489 0.000 0.850 396 P CB 0.223 32.035 31.700 0.187 0.000 0.784 397 L N -1.166 120.476 121.223 0.699 0.000 2.027 397 L HA -0.068 4.285 4.340 0.021 0.000 0.206 397 L C 2.344 179.392 176.870 0.296 0.000 1.074 397 L CA 1.542 56.622 54.840 0.400 0.000 0.745 397 L CB -1.690 40.478 42.059 0.182 0.000 0.898 397 L HN 0.077 nan 8.230 nan 0.000 0.433 398 W N -0.113 121.226 121.300 0.064 0.000 2.269 398 W HA -0.449 4.224 4.660 0.020 0.000 0.336 398 W C 2.267 178.670 176.519 -0.194 0.000 1.333 398 W CA 2.674 59.935 57.345 -0.139 0.000 1.299 398 W CB -0.754 28.522 29.460 -0.308 0.000 1.126 398 W HN 0.308 nan 8.180 nan 0.000 0.474 399 Y N 0.709 120.948 120.300 -0.102 0.000 2.053 399 Y HA -0.301 4.262 4.550 0.021 0.000 0.277 399 Y C 2.930 178.671 175.900 -0.266 0.000 1.159 399 Y CA 2.549 60.411 58.100 -0.395 0.000 1.125 399 Y CB -1.556 36.364 38.460 -0.899 0.000 0.969 399 Y HN -0.162 nan 8.280 nan 0.000 0.492 400 T N 1.014 115.653 114.554 0.142 0.000 2.653 400 T HA -0.225 4.138 4.350 0.021 0.000 0.268 400 T C 2.003 176.757 174.700 0.089 0.000 1.035 400 T CA 1.841 64.075 62.100 0.224 0.000 1.154 400 T CB -0.690 68.341 68.868 0.271 0.000 0.862 400 T HN 0.238 nan 8.240 nan 0.000 0.441 401 L N 0.280 121.503 121.223 0.001 0.000 2.046 401 L HA -0.124 4.229 4.340 0.021 0.000 0.208 401 L C 2.908 179.750 176.870 -0.047 0.000 1.077 401 L CA 1.014 55.862 54.840 0.014 0.000 0.747 401 L CB -0.867 41.177 42.059 -0.026 0.000 0.896 401 L HN 0.395 nan 8.230 nan 0.000 0.432 402 C N -0.135 118.986 119.300 -0.297 0.000 2.435 402 C HA -0.136 4.337 4.460 0.021 0.000 0.279 402 C C 2.396 177.444 174.990 0.097 0.000 1.321 402 C CA 0.339 59.234 59.018 -0.206 0.000 1.752 402 C CB -0.834 26.687 27.740 -0.365 0.000 1.959 402 C HN 0.549 nan 8.230 nan 0.000 0.500 403 D N 0.434 120.896 120.400 0.103 0.000 2.144 403 D HA -0.102 4.551 4.640 0.021 0.000 0.200 403 D C 2.280 178.791 176.300 0.352 0.000 0.978 403 D CA 1.052 55.181 54.000 0.215 0.000 0.833 403 D CB -0.285 40.581 40.800 0.111 0.000 0.961 403 D HN 0.610 nan 8.370 nan 0.000 0.470 404 R N -0.372 120.230 120.500 0.170 0.000 2.080 404 R HA -0.015 4.338 4.340 0.021 0.000 0.222 404 R C 2.075 178.351 176.300 -0.040 0.000 1.107 404 R CA 0.574 56.704 56.100 0.049 0.000 0.980 404 R CB -0.217 30.040 30.300 -0.071 0.000 0.879 404 R HN 0.258 nan 8.270 nan 0.000 0.439 405 Y N 0.064 120.369 120.300 0.010 0.000 2.475 405 Y HA 0.155 4.717 4.550 0.021 0.000 0.289 405 Y C 1.081 176.904 175.900 -0.128 0.000 1.121 405 Y CA 0.883 58.959 58.100 -0.041 0.000 1.257 405 Y CB 0.670 39.083 38.460 -0.077 0.000 1.026 405 Y HN 0.298 nan 8.280 nan 0.000 0.555 406 G N 0.849 109.668 108.800 0.032 0.000 3.035 406 G HA2 -0.124 3.848 3.960 0.021 0.000 0.214 406 G HA3 -0.124 3.848 3.960 0.021 0.000 0.214 406 G C -1.091 173.635 174.900 -0.290 0.000 1.063 406 G CA -0.621 44.358 45.100 -0.201 0.000 1.109 406 G HN 0.149 nan 8.290 nan 0.000 0.563 407 L N 0.095 121.244 121.223 -0.122 0.000 2.422 407 L HA 0.561 4.914 4.340 0.021 0.000 0.264 407 L C 0.043 176.932 176.870 0.031 0.000 0.984 407 L CA -1.392 53.331 54.840 -0.195 0.000 0.819 407 L CB 1.920 43.883 42.059 -0.159 0.000 1.330 407 L HN 0.325 nan 8.230 nan 0.000 0.410 408 Y N 1.752 122.169 120.300 0.196 0.000 2.359 408 Y HA 0.444 5.008 4.550 0.024 0.000 0.330 408 Y C 0.152 176.167 175.900 0.192 0.000 1.143 408 Y CA -0.686 57.555 58.100 0.234 0.000 1.318 408 Y CB 1.417 39.994 38.460 0.194 0.000 1.234 408 Y HN 0.174 nan 8.280 nan 0.000 0.522 409 V N 3.866 123.968 119.914 0.313 0.000 2.789 409 V HA 0.326 4.459 4.120 0.021 0.000 0.311 409 V C -0.885 175.285 176.094 0.126 0.000 1.073 409 V CA -0.980 61.450 62.300 0.216 0.000 0.921 409 V CB 2.317 34.228 31.823 0.145 0.000 1.009 409 V HN 0.473 nan 8.190 nan 0.000 0.426 410 V N 3.501 123.476 119.914 0.101 0.000 2.304 410 V HA 0.323 4.455 4.120 0.021 0.000 0.269 410 V C -0.215 175.899 176.094 0.034 0.000 1.036 410 V CA -0.518 61.778 62.300 -0.006 0.000 0.840 410 V CB 1.189 32.911 31.823 -0.168 0.000 1.036 410 V HN 0.843 nan 8.190 nan 0.000 0.466 411 D N 3.925 124.366 120.400 0.068 0.000 2.308 411 D HA 0.299 4.951 4.640 0.021 0.000 0.251 411 D C -0.153 176.303 176.300 0.261 0.000 1.127 411 D CA 0.070 54.197 54.000 0.211 0.000 0.876 411 D CB 1.155 42.101 40.800 0.242 0.000 1.176 411 D HN 0.693 nan 8.370 nan 0.000 0.446 412 E N 1.908 122.242 120.200 0.224 0.000 2.216 412 E HA 0.564 4.926 4.350 0.021 0.000 0.260 412 E C -0.955 175.778 176.600 0.222 0.000 0.880 412 E CA -1.033 55.490 56.400 0.204 0.000 0.765 412 E CB 1.180 30.951 29.700 0.118 0.000 1.174 412 E HN 0.511 nan 8.360 nan 0.000 0.417 413 A N 4.113 127.066 122.820 0.221 0.000 2.587 413 A HA -0.087 4.246 4.320 0.021 0.000 0.233 413 A C 0.408 178.119 177.584 0.210 0.000 1.049 413 A CA 0.129 52.277 52.037 0.186 0.000 0.754 413 A CB 0.025 19.104 19.000 0.132 0.000 0.977 413 A HN 0.690 nan 8.150 nan 0.000 0.509 414 N N 1.725 120.557 118.700 0.219 0.000 3.050 414 N HA 0.275 5.028 4.740 0.021 0.000 0.289 414 N C -0.921 174.711 175.510 0.203 0.000 1.209 414 N CA 0.084 53.292 53.050 0.263 0.000 1.154 414 N CB -0.757 37.890 38.487 0.267 0.000 1.444 414 N HN 0.473 nan 8.380 nan 0.000 0.529 415 I N 0.757 121.440 120.570 0.189 0.000 2.497 415 I HA 0.316 4.499 4.170 0.021 0.000 0.284 415 I C -0.474 175.732 176.117 0.150 0.000 1.060 415 I CA -0.644 60.748 61.300 0.154 0.000 1.071 415 I CB 1.718 39.784 38.000 0.109 0.000 1.216 415 I HN 0.212 nan 8.210 nan 0.000 0.442 416 E N 3.929 124.212 120.200 0.138 0.000 2.287 416 E HA 0.324 4.687 4.350 0.021 0.000 0.274 416 E C -0.238 176.422 176.600 0.099 0.000 0.896 416 E CA -0.320 56.136 56.400 0.093 0.000 0.788 416 E CB 1.800 31.527 29.700 0.045 0.000 1.244 416 E HN 0.687 nan 8.360 nan 0.000 0.408 417 T N 0.394 115.000 114.554 0.088 0.000 3.200 417 T HA 0.099 4.461 4.350 0.021 0.000 0.284 417 T C 1.158 175.893 174.700 0.058 0.000 1.009 417 T CA -0.103 62.078 62.100 0.135 0.000 0.907 417 T CB -0.268 68.665 68.868 0.108 0.000 1.120 417 T HN 0.676 nan 8.240 nan 0.000 0.534 418 H N 1.426 120.401 119.070 -0.158 0.000 2.375 418 H HA -0.159 4.411 4.556 0.023 0.000 0.289 418 H C 1.897 177.079 175.328 -0.242 0.000 1.121 418 H CA 1.235 57.155 56.048 -0.213 0.000 1.207 418 H CB -0.336 29.261 29.762 -0.275 0.000 1.355 418 H HN 0.558 nan 8.280 nan 0.000 0.486 419 G N 0.276 108.880 108.800 -0.326 0.000 3.374 419 G HA2 0.158 4.131 3.960 0.021 0.000 0.252 419 G HA3 0.158 4.131 3.960 0.021 0.000 0.252 419 G C -0.058 174.946 174.900 0.173 0.000 1.326 419 G CA -0.215 44.703 45.100 -0.304 0.000 1.133 419 G HN 0.149 nan 8.290 nan 0.000 0.528 420 M N -0.192 119.503 119.600 0.158 0.000 2.811 420 M HA 0.565 5.058 4.480 0.021 0.000 0.303 420 M C -0.832 175.491 176.300 0.039 0.000 1.227 420 M CA -0.833 54.553 55.300 0.144 0.000 0.874 420 M CB 2.031 34.689 32.600 0.097 0.000 1.681 420 M HN -0.186 nan 8.290 nan 0.000 0.500 421 V N 1.522 121.441 119.914 0.009 0.000 2.567 421 V HA 0.365 4.498 4.120 0.021 0.000 0.298 421 V C -2.311 173.773 176.094 -0.018 0.000 1.047 421 V CA -1.238 61.056 62.300 -0.010 0.000 0.880 421 V CB 1.812 33.624 31.823 -0.018 0.000 1.009 421 V HN 0.664 nan 8.190 nan 0.000 0.429 422 P HA 0.280 nan 4.420 nan 0.000 0.288 422 P C 1.090 178.388 177.300 -0.004 0.000 1.291 422 P CA -0.455 62.638 63.100 -0.012 0.000 0.766 422 P CB 0.807 32.504 31.700 -0.006 0.000 1.242 423 M N 0.573 120.175 119.600 0.003 0.000 2.117 423 M HA -0.167 4.326 4.480 0.021 0.000 0.262 423 M C 1.442 177.759 176.300 0.029 0.000 1.065 423 M CA 2.026 57.337 55.300 0.018 0.000 1.114 423 M CB -0.593 32.010 32.600 0.005 0.000 1.361 423 M HN 0.288 nan 8.290 nan 0.000 0.408 424 N N 0.373 119.094 118.700 0.035 0.000 2.571 424 N HA -0.182 4.571 4.740 0.021 0.000 0.189 424 N C 1.320 176.819 175.510 -0.019 0.000 1.154 424 N CA 0.757 53.832 53.050 0.041 0.000 0.907 424 N CB -0.855 37.671 38.487 0.065 0.000 0.977 424 N HN 0.441 nan 8.380 nan 0.000 0.449 425 R N 0.482 120.958 120.500 -0.040 0.000 2.140 425 R HA -0.114 4.239 4.340 0.021 0.000 0.250 425 R C 1.591 177.802 176.300 -0.149 0.000 1.150 425 R CA 1.774 57.827 56.100 -0.080 0.000 0.966 425 R CB -0.172 30.079 30.300 -0.082 0.000 0.869 425 R HN 0.365 nan 8.270 nan 0.000 0.445 426 L N -1.106 119.981 121.223 -0.227 0.000 2.202 426 L HA 0.049 4.402 4.340 0.021 0.000 0.205 426 L C 2.500 179.251 176.870 -0.199 0.000 1.083 426 L CA 1.157 55.758 54.840 -0.399 0.000 0.790 426 L CB -0.506 41.069 42.059 -0.806 0.000 0.942 426 L HN 0.326 nan 8.230 nan 0.000 0.452 427 T N -3.989 110.475 114.554 -0.151 0.000 3.072 427 T HA -0.149 4.214 4.350 0.021 0.000 0.266 427 T C 1.257 175.870 174.700 -0.145 0.000 1.127 427 T CA 1.172 63.164 62.100 -0.180 0.000 1.107 427 T CB -0.244 68.492 68.868 -0.219 0.000 0.910 427 T HN 0.155 nan 8.240 nan 0.000 0.513 428 D N 0.874 121.226 120.400 -0.080 0.000 2.363 428 D HA 0.114 4.767 4.640 0.021 0.000 0.214 428 D C -0.393 175.890 176.300 -0.028 0.000 1.093 428 D CA -0.295 53.668 54.000 -0.060 0.000 0.837 428 D CB -0.077 40.697 40.800 -0.042 0.000 0.948 428 D HN 0.303 nan 8.370 nan 0.000 0.507 429 D N -0.127 120.272 120.400 -0.003 0.000 2.392 429 D HA 0.167 4.820 4.640 0.021 0.000 0.228 429 D C -1.615 174.730 176.300 0.074 0.000 1.074 429 D CA -2.341 51.693 54.000 0.057 0.000 0.838 429 D CB 2.039 42.926 40.800 0.145 0.000 1.067 429 D HN -0.088 nan 8.370 nan 0.000 0.511 430 P HA -0.228 nan 4.420 nan 0.000 0.217 430 P C 1.103 178.393 177.300 -0.017 0.000 1.158 430 P CA 1.358 64.455 63.100 -0.004 0.000 0.887 430 P CB 0.149 31.840 31.700 -0.016 0.000 0.792 431 R N -1.517 118.972 120.500 -0.018 0.000 2.139 431 R HA -0.155 4.198 4.340 0.021 0.000 0.243 431 R C 2.135 178.286 176.300 -0.248 0.000 1.145 431 R CA 1.658 57.677 56.100 -0.135 0.000 0.976 431 R CB -1.152 29.037 30.300 -0.184 0.000 0.866 431 R HN 0.336 nan 8.270 nan 0.000 0.449 432 W N 0.636 121.877 121.300 -0.099 0.000 3.003 432 W HA 0.108 4.780 4.660 0.020 0.000 0.257 432 W C 1.769 178.224 176.519 -0.106 0.000 1.308 432 W CA -0.491 56.794 57.345 -0.099 0.000 1.529 432 W CB -0.250 29.149 29.460 -0.101 0.000 1.115 432 W HN -0.008 nan 8.180 nan 0.000 0.659 433 L N 2.460 123.710 121.223 0.044 0.000 1.987 433 L HA -0.231 4.122 4.340 0.021 0.000 0.230 433 L C -0.547 176.285 176.870 -0.063 0.000 1.089 433 L CA 2.593 57.413 54.840 -0.033 0.000 0.802 433 L CB -2.104 39.920 42.059 -0.059 0.000 0.905 433 L HN -0.171 nan 8.230 nan 0.000 0.441 434 P HA -0.312 nan 4.420 nan 0.000 0.212 434 P C 1.615 178.861 177.300 -0.091 0.000 1.128 434 P CA 2.900 65.934 63.100 -0.110 0.000 0.961 434 P CB -0.520 31.104 31.700 -0.126 0.000 0.782 435 A N -0.261 122.518 122.820 -0.068 0.000 1.881 435 A HA -0.321 4.012 4.320 0.021 0.000 0.219 435 A C 2.286 179.884 177.584 0.024 0.000 1.215 435 A CA 3.584 55.619 52.037 -0.002 0.000 0.648 435 A CB -1.765 17.272 19.000 0.062 0.000 0.832 435 A HN 0.254 nan 8.150 nan 0.000 0.455 436 M N 0.392 120.018 119.600 0.042 0.000 2.065 436 M HA -0.165 4.327 4.480 0.021 0.000 0.259 436 M C 2.429 178.676 176.300 -0.088 0.000 1.069 436 M CA 2.210 57.505 55.300 -0.008 0.000 1.110 436 M CB -1.352 31.221 32.600 -0.046 0.000 1.328 436 M HN 0.627 nan 8.290 nan 0.000 0.405 437 S N 1.094 116.709 115.700 -0.141 0.000 2.380 437 S HA -0.257 4.226 4.470 0.021 0.000 0.229 437 S C 1.741 176.169 174.600 -0.286 0.000 1.050 437 S CA 2.117 60.166 58.200 -0.251 0.000 1.100 437 S CB -1.003 62.025 63.200 -0.287 0.000 0.984 437 S HN 0.606 nan 8.310 nan 0.000 0.434 438 E N 0.860 120.939 120.200 -0.202 0.000 2.265 438 E HA -0.072 4.290 4.350 0.021 0.000 0.196 438 E C 2.354 178.876 176.600 -0.130 0.000 0.996 438 E CA 0.713 57.008 56.400 -0.176 0.000 0.832 438 E CB -0.139 29.498 29.700 -0.107 0.000 0.756 438 E HN 0.627 nan 8.360 nan 0.000 0.491 439 R N 0.005 120.452 120.500 -0.089 0.000 2.240 439 R HA 0.018 4.371 4.340 0.021 0.000 0.203 439 R C 2.035 178.309 176.300 -0.044 0.000 1.011 439 R CA 0.388 56.469 56.100 -0.031 0.000 1.007 439 R CB 0.257 30.572 30.300 0.025 0.000 0.911 439 R HN 0.035 nan 8.270 nan 0.000 0.468 440 V N 0.639 120.481 119.914 -0.120 0.000 2.672 440 V HA -0.144 3.989 4.120 0.021 0.000 0.242 440 V C 2.555 178.538 176.094 -0.184 0.000 1.059 440 V CA 1.954 64.185 62.300 -0.116 0.000 1.081 440 V CB 0.259 32.005 31.823 -0.127 0.000 0.752 440 V HN 0.442 nan 8.190 nan 0.000 0.472 441 T N -0.571 113.756 114.554 -0.378 0.000 2.652 441 T HA -0.289 4.073 4.350 0.021 0.000 0.267 441 T C 1.964 176.573 174.700 -0.150 0.000 1.039 441 T CA 1.578 63.399 62.100 -0.465 0.000 1.153 441 T CB -0.480 67.954 68.868 -0.724 0.000 0.863 441 T HN 0.361 nan 8.240 nan 0.000 0.428 442 R N 0.463 120.877 120.500 -0.142 0.000 2.152 442 R HA 0.108 4.461 4.340 0.021 0.000 0.232 442 R C 2.664 178.926 176.300 -0.063 0.000 1.117 442 R CA 1.474 57.521 56.100 -0.089 0.000 0.981 442 R CB -0.445 29.804 30.300 -0.086 0.000 0.870 442 R HN 0.573 nan 8.270 nan 0.000 0.451 443 M N 0.374 119.946 119.600 -0.047 0.000 2.200 443 M HA -0.098 4.394 4.480 0.021 0.000 0.265 443 M C 1.735 178.025 176.300 -0.017 0.000 1.066 443 M CA 1.504 56.809 55.300 0.008 0.000 1.127 443 M CB 0.175 32.828 32.600 0.088 0.000 1.379 443 M HN -0.047 nan 8.290 nan 0.000 0.420 444 V N 1.595 121.404 119.914 -0.175 0.000 2.343 444 V HA -0.282 3.851 4.120 0.021 0.000 0.247 444 V C 2.337 178.363 176.094 -0.113 0.000 1.051 444 V CA 1.994 64.062 62.300 -0.387 0.000 1.036 444 V CB -0.996 30.559 31.823 -0.448 0.000 0.654 444 V HN 0.591 nan 8.190 nan 0.000 0.451 445 Q N -0.484 119.282 119.800 -0.056 0.000 2.291 445 Q HA -0.213 4.140 4.340 0.021 0.000 0.206 445 Q C 2.369 178.326 176.000 -0.073 0.000 0.976 445 Q CA 1.366 57.145 55.803 -0.041 0.000 0.875 445 Q CB -0.160 28.572 28.738 -0.010 0.000 0.927 445 Q HN 0.598 nan 8.270 nan 0.000 0.450 446 R N 0.477 120.929 120.500 -0.082 0.000 2.105 446 R HA -0.057 4.296 4.340 0.021 0.000 0.214 446 R C 0.539 176.792 176.300 -0.079 0.000 1.091 446 R CA 1.051 57.072 56.100 -0.131 0.000 1.007 446 R CB 0.500 30.716 30.300 -0.140 0.000 0.912 446 R HN 0.101 nan 8.270 nan 0.000 0.450 447 D N 0.589 121.003 120.400 0.024 0.000 2.349 447 D HA -0.002 4.650 4.640 0.021 0.000 0.214 447 D C 1.475 177.895 176.300 0.199 0.000 1.063 447 D CA 0.100 54.155 54.000 0.091 0.000 0.847 447 D CB 0.156 40.935 40.800 -0.035 0.000 0.933 447 D HN 0.347 nan 8.370 nan 0.000 0.513 448 R N 1.278 121.892 120.500 0.191 0.000 2.140 448 R HA -0.156 4.196 4.340 0.021 0.000 0.250 448 R C 1.180 177.501 176.300 0.034 0.000 1.150 448 R CA 1.272 57.477 56.100 0.175 0.000 0.966 448 R CB -0.717 29.618 30.300 0.059 0.000 0.869 448 R HN 0.079 nan 8.270 nan 0.000 0.445 449 N N 0.430 119.080 118.700 -0.084 0.000 2.494 449 N HA -0.046 4.707 4.740 0.021 0.000 0.182 449 N C -0.134 175.260 175.510 -0.195 0.000 1.076 449 N CA 0.525 53.476 53.050 -0.165 0.000 0.908 449 N CB -0.124 38.220 38.487 -0.239 0.000 0.967 449 N HN 0.422 nan 8.380 nan 0.000 0.449 450 H N 1.301 120.298 119.070 -0.122 0.000 2.767 450 H HA 0.081 4.649 4.556 0.021 0.000 0.316 450 H C -1.211 173.962 175.328 -0.258 0.000 1.059 450 H CA -1.181 54.773 56.048 -0.157 0.000 1.461 450 H CB 1.408 31.116 29.762 -0.089 0.000 1.475 450 H HN 0.014 nan 8.280 nan 0.000 0.531 451 P HA -0.157 nan 4.420 nan 0.000 0.217 451 P C 1.522 178.383 177.300 -0.732 0.000 1.150 451 P CA 1.236 63.968 63.100 -0.614 0.000 0.832 451 P CB 0.194 31.207 31.700 -1.146 0.000 0.787 452 S N -0.858 114.506 115.700 -0.560 0.000 2.399 452 S HA -0.055 4.428 4.470 0.021 0.000 0.231 452 S C 1.140 175.717 174.600 -0.040 0.000 1.022 452 S CA 0.487 58.553 58.200 -0.224 0.000 0.983 452 S CB -1.527 61.661 63.200 -0.020 0.000 0.803 452 S HN -0.067 nan 8.310 nan 0.000 0.480 453 V N 3.748 123.600 119.914 -0.104 0.000 2.415 453 V HA 0.213 4.345 4.120 0.021 0.000 0.267 453 V C 1.025 176.970 176.094 -0.250 0.000 1.042 453 V CA 0.021 62.216 62.300 -0.175 0.000 1.000 453 V CB 0.151 31.781 31.823 -0.323 0.000 1.015 453 V HN 0.626 nan 8.190 nan 0.000 0.478 454 I N 2.759 123.233 120.570 -0.161 0.000 4.181 454 I HA 0.505 4.688 4.170 0.021 0.000 0.331 454 I C 0.340 176.324 176.117 -0.223 0.000 1.312 454 I CA 0.460 61.670 61.300 -0.150 0.000 1.146 454 I CB 0.426 38.414 38.000 -0.020 0.000 1.074 454 I HN 0.300 nan 8.210 nan 0.000 0.402 455 I N -0.005 120.399 120.570 -0.277 0.000 2.722 455 I HA 0.372 4.555 4.170 0.021 0.000 0.295 455 I C -1.508 174.456 176.117 -0.256 0.000 1.161 455 I CA -0.477 60.696 61.300 -0.211 0.000 1.032 455 I CB 1.903 39.890 38.000 -0.021 0.000 1.244 455 I HN 0.010 nan 8.210 nan 0.000 0.421 456 W N 3.402 124.737 121.300 0.058 0.000 2.449 456 W HA 0.641 5.311 4.660 0.017 0.000 0.331 456 W C 0.389 176.961 176.519 0.087 0.000 1.119 456 W CA -0.600 56.786 57.345 0.068 0.000 1.240 456 W CB 1.648 31.138 29.460 0.051 0.000 1.251 456 W HN 0.370 nan 8.180 nan 0.000 0.576 457 S N 2.760 118.699 115.700 0.398 0.000 2.571 457 S HA 0.383 4.866 4.470 0.021 0.000 0.284 457 S C -0.223 174.546 174.600 0.282 0.000 1.128 457 S CA -0.736 57.640 58.200 0.293 0.000 0.970 457 S CB 0.767 64.088 63.200 0.203 0.000 1.039 457 S HN 0.568 nan 8.310 nan 0.000 0.485 458 L N 4.210 125.590 121.223 0.262 0.000 2.660 458 L HA 0.389 4.742 4.340 0.021 0.000 0.238 458 L C 1.354 178.304 176.870 0.132 0.000 1.161 458 L CA 0.435 55.363 54.840 0.146 0.000 0.937 458 L CB -1.328 40.742 42.059 0.019 0.000 1.122 458 L HN 1.044 nan 8.230 nan 0.000 0.435 459 G N 0.003 108.953 108.800 0.252 0.000 2.409 459 G HA2 -0.179 3.794 3.960 0.021 0.000 0.421 459 G HA3 -0.179 3.794 3.960 0.021 0.000 0.421 459 G C -1.411 173.698 174.900 0.348 0.000 1.259 459 G CA -0.758 44.498 45.100 0.260 0.000 1.011 459 G HN 0.202 nan 8.290 nan 0.000 0.497 460 N N -0.028 118.799 118.700 0.211 0.000 2.262 460 N HA 0.532 5.284 4.740 0.021 0.000 0.295 460 N C -0.272 175.221 175.510 -0.030 0.000 1.161 460 N CA -0.157 52.882 53.050 -0.018 0.000 0.767 460 N CB 1.733 39.925 38.487 -0.491 0.000 1.499 460 N HN 0.837 nan 8.380 nan 0.000 0.476 461 E N 0.267 120.332 120.200 -0.225 0.000 1.822 461 E HA -0.190 4.173 4.350 0.021 0.000 0.168 461 E C -0.783 175.750 176.600 -0.112 0.000 1.351 461 E CA 0.690 56.885 56.400 -0.342 0.000 0.547 461 E CB -0.976 28.279 29.700 -0.743 0.000 1.036 461 E HN 0.393 nan 8.360 nan 0.000 0.280 462 S N 0.466 116.225 115.700 0.098 0.000 3.073 462 S HA 0.365 4.848 4.470 0.021 0.000 0.252 462 S C 0.563 175.314 174.600 0.251 0.000 0.953 462 S CA -0.305 58.013 58.200 0.198 0.000 1.105 462 S CB 1.332 64.712 63.200 0.298 0.000 1.070 462 S HN 0.858 nan 8.310 nan 0.000 0.574 463 G N 2.129 111.008 108.800 0.132 0.000 2.591 463 G HA2 -0.270 3.703 3.960 0.021 0.000 0.278 463 G HA3 -0.270 3.703 3.960 0.021 0.000 0.278 463 G C -0.510 174.549 174.900 0.266 0.000 1.293 463 G CA 0.074 45.252 45.100 0.130 0.000 0.930 463 G HN 0.644 nan 8.290 nan 0.000 0.562 464 H N 0.733 119.886 119.070 0.138 0.000 2.727 464 H HA 0.606 5.176 4.556 0.023 0.000 0.330 464 H C 0.250 175.724 175.328 0.243 0.000 0.986 464 H CA 0.274 56.433 56.048 0.184 0.000 1.251 464 H CB 0.798 30.621 29.762 0.102 0.000 1.493 464 H HN 1.126 nan 8.280 nan 0.000 0.515 465 G N 1.579 110.331 108.800 -0.080 0.000 2.630 465 G HA2 0.466 4.439 3.960 0.021 0.000 0.296 465 G HA3 0.466 4.439 3.960 0.021 0.000 0.296 465 G C 0.594 175.314 174.900 -0.299 0.000 1.285 465 G CA -0.188 44.796 45.100 -0.193 0.000 0.958 465 G HN 0.669 nan 8.290 nan 0.000 0.479 466 A N 0.584 123.293 122.820 -0.186 0.000 1.948 466 A HA -0.160 4.173 4.320 0.021 0.000 0.220 466 A C 2.127 179.652 177.584 -0.098 0.000 1.177 466 A CA 2.172 54.145 52.037 -0.108 0.000 0.636 466 A CB -0.514 18.454 19.000 -0.053 0.000 0.815 466 A HN 0.567 nan 8.150 nan 0.000 0.449 467 N N -0.434 118.162 118.700 -0.173 0.000 2.348 467 N HA -0.148 4.605 4.740 0.021 0.000 0.185 467 N C 1.317 176.698 175.510 -0.215 0.000 1.019 467 N CA 1.688 54.618 53.050 -0.199 0.000 0.880 467 N CB -0.710 37.634 38.487 -0.238 0.000 0.965 467 N HN 0.806 nan 8.380 nan 0.000 0.437 468 H N 0.290 119.291 119.070 -0.114 0.000 2.363 468 H HA 0.010 4.579 4.556 0.021 0.000 0.301 468 H C 1.312 176.673 175.328 0.056 0.000 1.074 468 H CA 1.107 57.096 56.048 -0.097 0.000 1.354 468 H CB 0.165 29.847 29.762 -0.135 0.000 1.397 468 H HN 0.111 nan 8.280 nan 0.000 0.516 469 D N 0.387 120.897 120.400 0.184 0.000 2.104 469 D HA -0.160 4.493 4.640 0.021 0.000 0.194 469 D C 2.264 178.687 176.300 0.204 0.000 0.994 469 D CA 1.311 55.419 54.000 0.179 0.000 0.830 469 D CB -0.348 40.527 40.800 0.125 0.000 0.959 469 D HN 0.432 nan 8.370 nan 0.000 0.452 470 A N 0.551 123.446 122.820 0.124 0.000 1.873 470 A HA -0.083 4.249 4.320 0.021 0.000 0.215 470 A C 2.426 180.114 177.584 0.173 0.000 1.186 470 A CA 0.842 52.952 52.037 0.122 0.000 0.616 470 A CB -0.709 18.315 19.000 0.041 0.000 0.823 470 A HN 0.214 nan 8.150 nan 0.000 0.442 471 L N -1.976 119.327 121.223 0.133 0.000 2.217 471 L HA -0.127 4.225 4.340 0.021 0.000 0.211 471 L C 2.518 179.540 176.870 0.252 0.000 1.107 471 L CA 1.367 56.297 54.840 0.150 0.000 0.783 471 L CB -0.700 41.368 42.059 0.015 0.000 0.919 471 L HN 0.606 nan 8.230 nan 0.000 0.442 472 Y N 1.295 121.675 120.300 0.135 0.000 2.070 472 Y HA -0.337 4.223 4.550 0.016 0.000 0.279 472 Y C 2.909 178.883 175.900 0.123 0.000 1.134 472 Y CA 1.710 59.891 58.100 0.135 0.000 1.113 472 Y CB -0.162 38.383 38.460 0.142 0.000 0.981 472 Y HN -0.062 nan 8.280 nan 0.000 0.487 473 R N 0.183 120.864 120.500 0.301 0.000 2.112 473 R HA -0.275 4.078 4.340 0.021 0.000 0.242 473 R C 2.067 178.386 176.300 0.032 0.000 1.137 473 R CA 2.303 58.497 56.100 0.157 0.000 0.944 473 R CB -1.762 28.675 30.300 0.228 0.000 0.857 473 R HN 0.695 nan 8.270 nan 0.000 0.435 474 W N 0.620 121.891 121.300 -0.048 0.000 2.302 474 W HA -0.235 4.437 4.660 0.021 0.000 0.320 474 W C 1.905 178.331 176.519 -0.156 0.000 1.241 474 W CA 2.378 59.671 57.345 -0.087 0.000 1.264 474 W CB -0.527 28.882 29.460 -0.084 0.000 1.154 474 W HN 0.167 nan 8.180 nan 0.000 0.483 475 I N 0.609 121.135 120.570 -0.074 0.000 2.099 475 I HA -0.414 3.769 4.170 0.021 0.000 0.239 475 I C 2.633 178.461 176.117 -0.481 0.000 1.066 475 I CA 1.657 62.716 61.300 -0.402 0.000 1.324 475 I CB -0.826 37.023 38.000 -0.252 0.000 1.037 475 I HN -0.126 nan 8.210 nan 0.000 0.401 476 K N 0.560 120.740 120.400 -0.367 0.000 2.077 476 K HA -0.224 4.109 4.320 0.021 0.000 0.213 476 K C 2.299 178.734 176.600 -0.274 0.000 1.051 476 K CA 1.693 57.803 56.287 -0.296 0.000 0.929 476 K CB -0.885 31.437 32.500 -0.296 0.000 0.715 476 K HN 0.208 nan 8.250 nan 0.000 0.451 477 S N 0.337 115.851 115.700 -0.310 0.000 2.353 477 S HA -0.140 4.343 4.470 0.021 0.000 0.222 477 S C 1.976 176.320 174.600 -0.427 0.000 1.035 477 S CA 1.681 59.693 58.200 -0.313 0.000 1.025 477 S CB -0.245 62.774 63.200 -0.301 0.000 0.902 477 S HN 0.321 nan 8.310 nan 0.000 0.440 478 V N -0.074 119.408 119.914 -0.721 0.000 2.649 478 V HA 0.142 4.275 4.120 0.021 0.000 0.248 478 V C 0.051 175.865 176.094 -0.468 0.000 1.054 478 V CA 1.553 63.437 62.300 -0.694 0.000 1.073 478 V CB -0.035 31.230 31.823 -0.931 0.000 0.699 478 V HN 0.389 nan 8.190 nan 0.000 0.463 479 D N -0.270 119.894 120.400 -0.393 0.000 2.575 479 D HA 0.484 5.137 4.640 0.021 0.000 0.250 479 D C -2.514 173.742 176.300 -0.074 0.000 1.279 479 D CA -1.722 52.175 54.000 -0.173 0.000 0.925 479 D CB 2.227 43.009 40.800 -0.030 0.000 1.261 479 D HN 0.163 nan 8.370 nan 0.000 0.567 480 P HA 0.096 nan 4.420 nan 0.000 0.282 480 P C 1.046 178.361 177.300 0.025 0.000 1.327 480 P CA 0.029 63.115 63.100 -0.024 0.000 0.949 480 P CB 0.573 32.244 31.700 -0.048 0.000 1.445 481 S N 0.478 116.205 115.700 0.044 0.000 2.423 481 S HA -0.048 4.434 4.470 0.021 0.000 0.231 481 S C 0.895 175.529 174.600 0.057 0.000 1.014 481 S CA 0.236 58.469 58.200 0.055 0.000 0.965 481 S CB -0.479 62.750 63.200 0.048 0.000 0.785 481 S HN 0.143 nan 8.310 nan 0.000 0.495 482 R N 0.364 120.916 120.500 0.087 0.000 2.795 482 R HA 0.693 5.045 4.340 0.021 0.000 0.275 482 R C -3.306 173.064 176.300 0.116 0.000 0.981 482 R CA -2.445 53.686 56.100 0.051 0.000 0.917 482 R CB 0.703 30.930 30.300 -0.121 0.000 1.202 482 R HN 0.087 nan 8.270 nan 0.000 0.469 483 P HA 0.213 nan 4.420 nan 0.000 0.278 483 P C -0.745 176.657 177.300 0.170 0.000 1.258 483 P CA -0.649 62.512 63.100 0.101 0.000 0.811 483 P CB 0.826 32.571 31.700 0.074 0.000 1.063 484 V N 0.887 120.903 119.914 0.170 0.000 2.630 484 V HA 0.606 4.739 4.120 0.021 0.000 0.305 484 V C 0.070 176.318 176.094 0.257 0.000 1.046 484 V CA -0.450 61.990 62.300 0.232 0.000 0.934 484 V CB 1.142 33.040 31.823 0.125 0.000 1.003 484 V HN 0.649 nan 8.190 nan 0.000 0.451 485 Q N 2.660 122.621 119.800 0.268 0.000 2.416 485 Q HA 0.734 5.087 4.340 0.021 0.000 0.281 485 Q C -2.178 174.003 176.000 0.303 0.000 1.067 485 Q CA -0.850 55.089 55.803 0.227 0.000 0.809 485 Q CB 2.838 31.652 28.738 0.126 0.000 1.418 485 Q HN 0.745 nan 8.270 nan 0.000 0.411 486 Y N 0.994 121.334 120.300 0.067 0.000 2.357 486 Y HA 0.172 4.733 4.550 0.018 0.000 0.319 486 Y C -0.515 175.359 175.900 -0.043 0.000 1.225 486 Y CA -0.640 57.471 58.100 0.018 0.000 1.095 486 Y CB 2.059 40.536 38.460 0.029 0.000 1.302 486 Y HN 0.934 nan 8.280 nan 0.000 0.429 487 E N 3.594 123.385 120.200 -0.682 0.000 2.190 487 E HA 0.114 4.477 4.350 0.021 0.000 0.191 487 E C 0.793 176.954 176.600 -0.732 0.000 0.978 487 E CA 0.860 56.921 56.400 -0.566 0.000 0.839 487 E CB 0.114 29.610 29.700 -0.339 0.000 0.787 487 E HN 0.920 nan 8.360 nan 0.000 0.473 488 G N 0.404 108.321 108.800 -1.470 0.000 2.469 488 G HA2 0.070 4.043 3.960 0.021 0.000 0.229 488 G HA3 0.070 4.043 3.960 0.021 0.000 0.229 488 G C 0.735 175.463 174.900 -0.287 0.000 1.222 488 G CA 0.452 45.034 45.100 -0.863 0.000 0.861 488 G HN 0.385 nan 8.290 nan 0.000 0.538 489 G N 0.057 108.798 108.800 -0.098 0.000 2.412 489 G HA2 0.232 4.204 3.960 0.021 0.000 0.297 489 G HA3 0.232 4.204 3.960 0.021 0.000 0.297 489 G C 1.357 176.239 174.900 -0.028 0.000 0.965 489 G CA 1.239 46.341 45.100 0.004 0.000 1.134 489 G HN 2.584 nan 8.290 nan 0.000 0.511 490 G N -0.957 107.823 108.800 -0.034 0.000 2.428 490 G HA2 0.331 4.304 3.960 0.021 0.000 0.199 490 G HA3 0.331 4.304 3.960 0.021 0.000 0.199 490 G C 1.134 176.107 174.900 0.121 0.000 1.005 490 G CA 1.426 46.556 45.100 0.051 0.000 0.671 490 G HN 2.391 nan 8.290 nan 0.000 0.485 491 A N -0.104 122.691 122.820 -0.042 0.000 3.396 491 A HA -0.122 4.211 4.320 0.021 0.000 0.267 491 A C 1.128 178.652 177.584 -0.099 0.000 1.139 491 A CA 2.785 54.755 52.037 -0.111 0.000 1.115 491 A CB -1.898 16.995 19.000 -0.178 0.000 1.133 491 A HN 2.166 nan 8.150 nan 0.000 0.920 492 D N -1.450 118.955 120.400 0.009 0.000 2.636 492 D HA 0.320 4.973 4.640 0.021 0.000 0.270 492 D C 0.444 176.727 176.300 -0.028 0.000 1.430 492 D CA 0.946 54.957 54.000 0.019 0.000 0.796 492 D CB -1.043 39.868 40.800 0.185 0.000 1.117 492 D HN 0.756 nan 8.370 nan 0.000 0.480 493 T N -0.548 113.931 114.554 -0.126 0.000 2.616 493 T HA 0.051 4.414 4.350 0.021 0.000 0.327 493 T C 1.551 176.113 174.700 -0.230 0.000 1.049 493 T CA 1.144 63.075 62.100 -0.282 0.000 1.022 493 T CB 0.724 69.266 68.868 -0.543 0.000 1.009 493 T HN 0.149 nan 8.240 nan 0.000 0.535 494 T N -0.426 113.968 114.554 -0.267 0.000 3.118 494 T HA 0.258 4.621 4.350 0.021 0.000 0.260 494 T C 1.709 176.118 174.700 -0.486 0.000 1.139 494 T CA 0.489 62.451 62.100 -0.231 0.000 1.085 494 T CB -0.289 68.509 68.868 -0.116 0.000 0.934 494 T HN 0.736 nan 8.240 nan 0.000 0.518 495 A N 0.625 123.211 122.820 -0.390 0.000 2.337 495 A HA 0.465 4.798 4.320 0.021 0.000 0.227 495 A C 0.937 178.452 177.584 -0.115 0.000 1.259 495 A CA -0.160 51.618 52.037 -0.432 0.000 0.870 495 A CB 0.030 19.104 19.000 0.123 0.000 0.927 495 A HN 0.391 nan 8.150 nan 0.000 0.497 496 T N -1.548 112.949 114.554 -0.094 0.000 2.912 496 T HA 0.393 4.756 4.350 0.021 0.000 0.299 496 T C -0.473 174.323 174.700 0.161 0.000 1.052 496 T CA -0.470 61.717 62.100 0.145 0.000 0.996 496 T CB 1.350 70.255 68.868 0.062 0.000 1.070 496 T HN 0.088 nan 8.240 nan 0.000 0.465 497 D N 2.508 123.043 120.400 0.225 0.000 2.327 497 D HA 0.261 4.914 4.640 0.021 0.000 0.205 497 D C 0.318 176.661 176.300 0.071 0.000 0.989 497 D CA 0.711 54.810 54.000 0.165 0.000 0.873 497 D CB 0.468 41.368 40.800 0.167 0.000 0.955 497 D HN 0.476 nan 8.370 nan 0.000 0.515 498 I N 0.655 121.251 120.570 0.044 0.000 2.569 498 I HA 0.236 4.418 4.170 0.021 0.000 0.296 498 I C -0.171 175.899 176.117 -0.079 0.000 1.028 498 I CA -0.822 60.466 61.300 -0.020 0.000 1.082 498 I CB 2.751 40.743 38.000 -0.014 0.000 1.264 498 I HN -0.306 nan 8.210 nan 0.000 0.429 499 I N 5.530 126.008 120.570 -0.154 0.000 2.494 499 I HA 0.029 4.212 4.170 0.021 0.000 0.289 499 I C 0.205 176.138 176.117 -0.307 0.000 1.106 499 I CA 0.092 61.216 61.300 -0.294 0.000 1.369 499 I CB 0.019 37.744 38.000 -0.458 0.000 1.410 499 I HN 0.672 nan 8.210 nan 0.000 0.523 500 C N 5.822 124.963 119.300 -0.265 0.000 2.987 500 C HA 0.479 4.952 4.460 0.021 0.000 0.262 500 C C -1.990 172.872 174.990 -0.213 0.000 1.531 500 C CA -2.356 56.542 59.018 -0.201 0.000 1.571 500 C CB -1.374 26.297 27.740 -0.114 0.000 2.381 500 C HN 0.412 nan 8.230 nan 0.000 0.519 501 P HA 0.225 nan 4.420 nan 0.000 0.273 501 P C -0.433 176.821 177.300 -0.076 0.000 1.250 501 P CA 0.374 63.374 63.100 -0.166 0.000 0.793 501 P CB 0.675 32.276 31.700 -0.166 0.000 1.011 502 M N 1.373 120.973 119.600 -0.000 0.000 2.253 502 M HA 0.365 4.858 4.480 0.021 0.000 0.314 502 M C -0.942 175.435 176.300 0.128 0.000 1.019 502 M CA -0.535 54.728 55.300 -0.062 0.000 0.932 502 M CB 1.362 33.948 32.600 -0.024 0.000 1.606 502 M HN 0.371 nan 8.290 nan 0.000 0.430 503 Y N 0.080 120.518 120.300 0.229 0.000 4.798 503 Y HA -0.229 4.334 4.550 0.022 0.000 0.237 503 Y C 0.577 176.634 175.900 0.263 0.000 1.017 503 Y CA 0.625 58.869 58.100 0.240 0.000 2.010 503 Y CB -2.506 36.068 38.460 0.191 0.000 1.582 503 Y HN 0.956 nan 8.280 nan 0.000 0.621 504 A N 1.210 124.240 122.820 0.350 0.000 2.483 504 A HA 0.513 4.846 4.320 0.021 0.000 0.238 504 A C 0.723 178.532 177.584 0.376 0.000 1.070 504 A CA -0.181 52.074 52.037 0.364 0.000 0.770 504 A CB 0.296 19.555 19.000 0.433 0.000 1.008 504 A HN 0.402 nan 8.150 nan 0.000 0.497 505 R N 1.405 122.070 120.500 0.274 0.000 2.536 505 R HA 0.369 4.722 4.340 0.021 0.000 0.279 505 R C 1.140 177.459 176.300 0.032 0.000 1.001 505 R CA -0.735 55.471 56.100 0.177 0.000 1.027 505 R CB 1.244 31.607 30.300 0.106 0.000 1.096 505 R HN 0.514 nan 8.270 nan 0.000 0.502 506 V N 1.261 121.030 119.914 -0.243 0.000 2.231 506 V HA -0.276 3.857 4.120 0.021 0.000 0.248 506 V C 0.783 176.783 176.094 -0.156 0.000 1.054 506 V CA 2.050 64.148 62.300 -0.336 0.000 1.015 506 V CB -0.172 31.322 31.823 -0.547 0.000 0.638 506 V HN 0.798 nan 8.190 nan 0.000 0.444 507 D N -1.469 118.867 120.400 -0.106 0.000 2.500 507 D HA 0.127 4.780 4.640 0.021 0.000 0.217 507 D C 0.622 176.916 176.300 -0.010 0.000 1.159 507 D CA 0.036 54.003 54.000 -0.054 0.000 0.828 507 D CB 0.569 41.336 40.800 -0.056 0.000 1.039 507 D HN 0.722 nan 8.370 nan 0.000 0.512 508 E N 1.151 121.354 120.200 0.005 0.000 2.195 508 E HA 0.305 4.667 4.350 0.021 0.000 0.271 508 E C -0.852 175.763 176.600 0.025 0.000 0.923 508 E CA -0.731 55.678 56.400 0.013 0.000 0.790 508 E CB 1.778 31.481 29.700 0.005 0.000 1.155 508 E HN -0.304 nan 8.360 nan 0.000 0.402 509 D N 2.573 122.984 120.400 0.018 0.000 2.339 509 D HA 0.103 4.755 4.640 0.021 0.000 0.245 509 D C -0.425 175.777 176.300 -0.163 0.000 1.115 509 D CA 0.115 54.115 54.000 0.000 0.000 0.917 509 D CB 1.099 41.979 40.800 0.134 0.000 1.192 509 D HN 0.444 nan 8.370 nan 0.000 0.428 510 Q N 0.811 120.390 119.800 -0.369 0.000 3.429 510 Q HA 0.255 4.608 4.340 0.021 0.000 0.237 510 Q C -2.478 172.858 176.000 -1.106 0.000 0.932 510 Q CA -1.567 53.789 55.803 -0.744 0.000 0.731 510 Q CB 2.016 30.394 28.738 -0.599 0.000 1.383 510 Q HN 0.094 nan 8.270 nan 0.000 0.446 511 P HA 0.067 nan 4.420 nan 0.000 0.252 511 P C -0.883 176.072 177.300 -0.574 0.000 1.727 511 P CA 0.169 62.891 63.100 -0.629 0.000 1.134 511 P CB -0.466 31.072 31.700 -0.271 0.000 1.876 512 F N 4.361 124.158 119.950 -0.254 0.000 2.375 512 F HA 0.384 4.923 4.527 0.020 0.000 0.333 512 F C -1.401 174.306 175.800 -0.155 0.000 1.104 512 F CA -2.594 55.307 58.000 -0.165 0.000 1.149 512 F CB 0.467 39.377 39.000 -0.149 0.000 1.190 512 F HN 0.130 nan 8.300 nan 0.000 0.533 513 P HA 0.216 nan 4.420 nan 0.000 0.274 513 P C 0.228 177.551 177.300 0.039 0.000 1.237 513 P CA 0.508 63.632 63.100 0.040 0.000 0.793 513 P CB 1.355 33.076 31.700 0.034 0.000 0.977 514 A N 1.696 124.529 122.820 0.023 0.000 2.066 514 A HA -0.243 4.090 4.320 0.021 0.000 0.231 514 A C 0.678 178.270 177.584 0.014 0.000 0.465 514 A CA 2.152 54.203 52.037 0.022 0.000 1.110 514 A CB -2.776 16.235 19.000 0.017 0.000 1.434 514 A HN 0.785 nan 8.150 nan 0.000 0.706 515 V N -3.585 116.333 119.914 0.007 0.000 2.546 515 V HA 0.556 4.689 4.120 0.021 0.000 0.260 515 V C -2.646 173.431 176.094 -0.028 0.000 0.933 515 V CA -1.237 61.057 62.300 -0.009 0.000 0.994 515 V CB 0.752 32.570 31.823 -0.008 0.000 1.160 515 V HN 0.470 nan 8.190 nan 0.000 0.523 516 P HA 0.223 nan 4.420 nan 0.000 0.269 516 P C -0.528 176.321 177.300 -0.751 0.000 1.215 516 P CA 0.231 62.952 63.100 -0.633 0.000 0.780 516 P CB 0.991 31.828 31.700 -1.439 0.000 0.898 517 K N 2.133 122.142 120.400 -0.651 0.000 2.414 517 K HA 0.203 4.536 4.320 0.021 0.000 0.251 517 K C -0.379 175.825 176.600 -0.660 0.000 1.037 517 K CA -0.308 55.747 56.287 -0.387 0.000 0.980 517 K CB 0.278 32.861 32.500 0.138 0.000 1.280 517 K HN 0.452 nan 8.250 nan 0.000 0.451 518 W N 1.119 122.065 121.300 -0.589 0.000 2.049 518 W HA 0.074 4.746 4.660 0.021 0.000 0.356 518 W C 1.216 177.749 176.519 0.022 0.000 1.323 518 W CA -0.619 56.489 57.345 -0.395 0.000 1.336 518 W CB 0.396 29.443 29.460 -0.689 0.000 1.176 518 W HN 0.328 nan 8.180 nan 0.000 0.623 519 S N 2.479 118.377 115.700 0.330 0.000 2.531 519 S HA 0.022 4.505 4.470 0.021 0.000 0.279 519 S C 1.232 176.014 174.600 0.303 0.000 1.305 519 S CA -0.462 57.873 58.200 0.225 0.000 1.058 519 S CB 0.070 63.334 63.200 0.107 0.000 0.899 519 S HN 0.506 nan 8.310 nan 0.000 0.493 520 I N 2.617 123.337 120.570 0.250 0.000 2.145 520 I HA -0.255 3.927 4.170 0.021 0.000 0.244 520 I C 2.070 178.247 176.117 0.099 0.000 1.075 520 I CA 1.563 62.996 61.300 0.222 0.000 1.332 520 I CB -0.585 37.491 38.000 0.127 0.000 1.033 520 I HN 0.583 nan 8.210 nan 0.000 0.410 521 K N 1.430 121.782 120.400 -0.081 0.000 2.032 521 K HA -0.212 4.120 4.320 0.021 0.000 0.209 521 K C 2.300 178.925 176.600 0.040 0.000 1.048 521 K CA 2.190 58.355 56.287 -0.203 0.000 0.927 521 K CB -0.304 32.002 32.500 -0.324 0.000 0.712 521 K HN 0.441 nan 8.250 nan 0.000 0.441 522 K N 0.082 120.523 120.400 0.067 0.000 2.001 522 K HA -0.202 4.131 4.320 0.021 0.000 0.208 522 K C 1.977 178.620 176.600 0.071 0.000 1.048 522 K CA 1.232 57.539 56.287 0.035 0.000 0.932 522 K CB -0.241 32.242 32.500 -0.027 0.000 0.715 522 K HN 0.219 nan 8.250 nan 0.000 0.437 523 W N 2.148 123.463 121.300 0.025 0.000 2.290 523 W HA -0.281 4.388 4.660 0.015 0.000 0.323 523 W C 1.759 178.279 176.519 0.002 0.000 1.260 523 W CA 1.565 58.945 57.345 0.058 0.000 1.266 523 W CB -0.906 28.671 29.460 0.196 0.000 1.149 523 W HN 0.170 nan 8.180 nan 0.000 0.482 524 L N 0.842 122.262 121.223 0.328 0.000 2.129 524 L HA -0.271 4.082 4.340 0.021 0.000 0.212 524 L C 2.487 179.436 176.870 0.132 0.000 1.087 524 L CA 2.085 57.036 54.840 0.185 0.000 0.757 524 L CB -1.004 41.149 42.059 0.157 0.000 0.896 524 L HN 0.083 nan 8.230 nan 0.000 0.434 525 S N -1.153 114.606 115.700 0.099 0.000 2.575 525 S HA 0.149 4.632 4.470 0.021 0.000 0.215 525 S C 0.709 175.301 174.600 -0.013 0.000 0.966 525 S CA -0.473 57.751 58.200 0.040 0.000 0.911 525 S CB -0.402 62.820 63.200 0.036 0.000 0.780 525 S HN 0.201 nan 8.310 nan 0.000 0.514 526 L N 2.260 123.470 121.223 -0.022 0.000 2.485 526 L HA 0.283 4.636 4.340 0.021 0.000 0.275 526 L C -2.187 174.659 176.870 -0.040 0.000 1.207 526 L CA -1.854 52.931 54.840 -0.092 0.000 0.855 526 L CB -0.333 41.643 42.059 -0.139 0.000 1.114 526 L HN 0.065 nan 8.230 nan 0.000 0.485 527 P HA 0.029 nan 4.420 nan 0.000 0.262 527 P C 0.763 178.057 177.300 -0.009 0.000 1.182 527 P CA 0.912 63.992 63.100 -0.033 0.000 0.761 527 P CB 0.824 32.499 31.700 -0.042 0.000 0.795 528 G N 2.083 110.884 108.800 0.002 0.000 2.527 528 G HA2 -0.256 3.717 3.960 0.021 0.000 0.218 528 G HA3 -0.256 3.717 3.960 0.021 0.000 0.218 528 G C 0.312 175.227 174.900 0.025 0.000 1.177 528 G CA -0.004 45.105 45.100 0.014 0.000 0.695 528 G HN 0.636 nan 8.290 nan 0.000 0.517 529 E N 1.710 121.933 120.200 0.038 0.000 2.608 529 E HA 0.388 4.751 4.350 0.021 0.000 0.259 529 E C 1.420 178.045 176.600 0.041 0.000 0.951 529 E CA 1.543 57.977 56.400 0.057 0.000 0.945 529 E CB 0.611 30.373 29.700 0.103 0.000 0.916 529 E HN 0.911 nan 8.360 nan 0.000 0.477 530 T N 0.982 115.557 114.554 0.035 0.000 3.131 530 T HA 0.249 4.612 4.350 0.021 0.000 0.283 530 T C 0.499 175.209 174.700 0.017 0.000 0.906 530 T CA -0.453 61.662 62.100 0.025 0.000 0.882 530 T CB 0.105 68.986 68.868 0.021 0.000 1.208 530 T HN 0.280 nan 8.240 nan 0.000 0.561 531 R N 2.216 122.723 120.500 0.012 0.000 2.707 531 R HA 0.477 4.829 4.340 0.021 0.000 0.270 531 R C -2.481 173.804 176.300 -0.026 0.000 1.083 531 R CA -1.747 54.349 56.100 -0.006 0.000 1.182 531 R CB 0.080 30.370 30.300 -0.017 0.000 1.084 531 R HN 0.272 nan 8.270 nan 0.000 0.528 532 P HA 0.100 nan 4.420 nan 0.000 0.274 532 P C -1.057 176.178 177.300 -0.108 0.000 1.246 532 P CA -0.117 62.946 63.100 -0.062 0.000 0.795 532 P CB 0.637 32.301 31.700 -0.059 0.000 1.006 533 L N 1.594 122.734 121.223 -0.138 0.000 2.441 533 L HA 0.546 4.899 4.340 0.021 0.000 0.270 533 L C -1.279 175.448 176.870 -0.237 0.000 0.973 533 L CA -0.602 54.119 54.840 -0.198 0.000 0.842 533 L CB 0.716 42.656 42.059 -0.200 0.000 1.239 533 L HN 0.210 nan 8.230 nan 0.000 0.406 534 I N 5.094 125.531 120.570 -0.222 0.000 2.466 534 I HA 0.327 4.509 4.170 0.021 0.000 0.289 534 I C -0.887 175.123 176.117 -0.177 0.000 1.026 534 I CA -0.606 60.550 61.300 -0.240 0.000 1.078 534 I CB 1.983 39.901 38.000 -0.136 0.000 1.249 534 I HN 0.375 nan 8.210 nan 0.000 0.429 535 L N 5.601 126.686 121.223 -0.230 0.000 2.360 535 L HA 0.145 4.498 4.340 0.021 0.000 0.276 535 L C 1.341 178.257 176.870 0.077 0.000 1.121 535 L CA -0.171 54.603 54.840 -0.110 0.000 0.845 535 L CB 0.656 42.649 42.059 -0.109 0.000 1.143 535 L HN 0.893 nan 8.230 nan 0.000 0.452 536 C N 0.024 119.346 119.300 0.036 0.000 2.432 536 C HA 0.083 4.556 4.460 0.021 0.000 0.282 536 C C 0.438 175.515 174.990 0.146 0.000 1.388 536 C CA 0.118 59.168 59.018 0.053 0.000 1.777 536 C CB -1.494 26.224 27.740 -0.037 0.000 1.882 536 C HN 0.880 nan 8.230 nan 0.000 0.520 537 E N -0.167 120.088 120.200 0.091 0.000 2.597 537 E HA 0.488 4.850 4.350 0.021 0.000 0.310 537 E C -1.305 175.158 176.600 -0.229 0.000 0.970 537 E CA -0.579 55.851 56.400 0.050 0.000 0.819 537 E CB 0.247 29.930 29.700 -0.029 0.000 1.267 537 E HN 0.754 nan 8.360 nan 0.000 0.411 538 Y N -0.522 119.638 120.300 -0.233 0.000 2.644 538 Y HA 0.726 5.290 4.550 0.023 0.000 0.338 538 Y C -0.202 175.746 175.900 0.080 0.000 1.119 538 Y CA -0.833 57.144 58.100 -0.206 0.000 1.060 538 Y CB 1.496 39.749 38.460 -0.345 0.000 1.294 538 Y HN 0.931 nan 8.280 nan 0.000 0.472 539 A N 1.649 124.438 122.820 -0.052 0.000 2.546 539 A HA -0.264 4.069 4.320 0.021 0.000 0.295 539 A C -0.404 177.277 177.584 0.162 0.000 1.455 539 A CA 0.908 52.934 52.037 -0.018 0.000 0.730 539 A CB -2.702 16.113 19.000 -0.310 0.000 1.111 539 A HN 1.044 nan 8.150 nan 0.000 0.411 540 H N 0.227 119.454 119.070 0.262 0.000 3.248 540 H HA 0.210 4.778 4.556 0.021 0.000 0.258 540 H C 1.018 176.406 175.328 0.100 0.000 0.923 540 H CA 0.853 57.085 56.048 0.307 0.000 1.416 540 H CB 0.355 30.231 29.762 0.189 0.000 1.523 540 H HN 0.892 nan 8.280 nan 0.000 0.528 541 A N 6.853 129.547 122.820 -0.210 0.000 3.215 541 A HA 0.141 4.474 4.320 0.021 0.000 0.269 541 A C 0.472 177.802 177.584 -0.424 0.000 1.517 541 A CA -0.493 51.359 52.037 -0.308 0.000 1.221 541 A CB -0.405 18.399 19.000 -0.327 0.000 1.160 541 A HN 0.793 nan 8.150 nan 0.000 0.620 542 M N 2.390 121.753 119.600 -0.394 0.000 2.111 542 M HA 0.474 4.967 4.480 0.021 0.000 0.351 542 M C 0.957 177.047 176.300 -0.349 0.000 1.214 542 M CA 0.998 56.078 55.300 -0.367 0.000 1.120 542 M CB -0.110 32.335 32.600 -0.258 0.000 1.443 542 M HN 0.942 nan 8.290 nan 0.000 0.429 543 G N 4.128 112.709 108.800 -0.364 0.000 2.611 543 G HA2 -0.358 3.615 3.960 0.021 0.000 0.301 543 G HA3 -0.358 3.615 3.960 0.021 0.000 0.301 543 G C -0.029 174.438 174.900 -0.721 0.000 1.233 543 G CA 0.107 44.913 45.100 -0.491 0.000 0.993 543 G HN 0.787 nan 8.290 nan 0.000 0.553 544 N N 1.644 119.701 118.700 -1.072 0.000 2.410 544 N HA 0.440 5.193 4.740 0.021 0.000 0.281 544 N C -0.043 175.187 175.510 -0.465 0.000 1.241 544 N CA 1.188 53.768 53.050 -0.783 0.000 0.998 544 N CB 0.213 38.261 38.487 -0.732 0.000 1.376 544 N HN 0.729 nan 8.380 nan 0.000 0.490 545 S N 1.661 117.157 115.700 -0.340 0.000 2.840 545 S HA 0.580 5.063 4.470 0.021 0.000 0.307 545 S C -0.040 174.447 174.600 -0.188 0.000 1.180 545 S CA -0.494 57.562 58.200 -0.240 0.000 0.846 545 S CB 0.316 63.383 63.200 -0.220 0.000 1.233 545 S HN 0.453 nan 8.310 nan 0.000 0.548 546 L N 0.254 121.392 121.223 -0.141 0.000 4.192 546 L HA -0.078 4.275 4.340 0.021 0.000 0.403 546 L C 0.396 177.260 176.870 -0.011 0.000 1.163 546 L CA 0.649 55.417 54.840 -0.121 0.000 0.937 546 L CB -1.487 40.405 42.059 -0.278 0.000 2.134 546 L HN 0.701 nan 8.230 nan 0.000 0.754 547 G N -1.069 107.716 108.800 -0.025 0.000 2.442 547 G HA2 0.476 4.449 3.960 0.021 0.000 0.249 547 G HA3 0.476 4.449 3.960 0.021 0.000 0.249 547 G C 1.197 176.127 174.900 0.051 0.000 1.263 547 G CA 0.041 45.114 45.100 -0.045 0.000 0.846 547 G HN 1.271 nan 8.290 nan 0.000 0.555 548 G N 1.129 109.953 108.800 0.040 0.000 2.179 548 G HA2 -0.332 3.641 3.960 0.021 0.000 0.260 548 G HA3 -0.332 3.641 3.960 0.021 0.000 0.260 548 G C 1.095 176.175 174.900 0.301 0.000 0.977 548 G CA 0.837 46.020 45.100 0.140 0.000 0.641 548 G HN 0.736 nan 8.290 nan 0.000 0.533 549 F N 1.961 122.032 119.950 0.202 0.000 2.091 549 F HA 0.037 4.577 4.527 0.022 0.000 0.299 549 F C 2.802 178.835 175.800 0.389 0.000 1.103 549 F CA 2.593 60.793 58.000 0.334 0.000 1.228 549 F CB -0.736 38.367 39.000 0.172 0.000 0.984 549 F HN 0.391 nan 8.300 nan 0.000 0.477 550 A N -0.301 122.661 122.820 0.237 0.000 1.917 550 A HA -0.302 4.030 4.320 0.021 0.000 0.219 550 A C 2.339 179.935 177.584 0.020 0.000 1.182 550 A CA 2.030 54.144 52.037 0.127 0.000 0.633 550 A CB -0.935 18.145 19.000 0.133 0.000 0.819 550 A HN 0.442 nan 8.150 nan 0.000 0.448 551 K N -1.817 118.586 120.400 0.005 0.000 2.160 551 K HA -0.214 4.119 4.320 0.021 0.000 0.206 551 K C 1.715 178.078 176.600 -0.395 0.000 1.047 551 K CA 1.925 58.126 56.287 -0.143 0.000 0.930 551 K CB -0.282 32.160 32.500 -0.096 0.000 0.720 551 K HN 0.676 nan 8.250 nan 0.000 0.450 552 Y N -1.384 118.669 120.300 -0.412 0.000 2.206 552 Y HA -0.178 4.384 4.550 0.020 0.000 0.292 552 Y C 1.949 176.860 175.900 -1.649 0.000 1.123 552 Y CA 1.063 58.547 58.100 -1.028 0.000 1.142 552 Y CB -0.328 37.463 38.460 -1.114 0.000 1.006 552 Y HN 0.134 nan 8.280 nan 0.000 0.518 553 W N 0.403 121.244 121.300 -0.765 0.000 2.350 553 W HA -0.211 4.463 4.660 0.024 0.000 0.289 553 W C 2.593 178.905 176.519 -0.345 0.000 1.215 553 W CA 1.559 58.571 57.345 -0.556 0.000 1.236 553 W CB -0.608 28.627 29.460 -0.375 0.000 1.130 553 W HN 0.081 nan 8.180 nan 0.000 0.541 554 Q N 0.910 120.581 119.800 -0.216 0.000 2.050 554 Q HA -0.161 4.192 4.340 0.021 0.000 0.202 554 Q C 2.199 178.097 176.000 -0.170 0.000 0.980 554 Q CA 2.227 57.956 55.803 -0.124 0.000 0.840 554 Q CB -0.834 27.858 28.738 -0.077 0.000 0.898 554 Q HN 0.235 nan 8.270 nan 0.000 0.424 555 A N 0.351 122.974 122.820 -0.328 0.000 1.858 555 A HA -0.148 4.184 4.320 0.021 0.000 0.216 555 A C 2.118 179.629 177.584 -0.123 0.000 1.190 555 A CA 1.534 53.407 52.037 -0.273 0.000 0.617 555 A CB -1.296 17.440 19.000 -0.441 0.000 0.827 555 A HN 0.503 nan 8.150 nan 0.000 0.443 556 F N -0.263 119.480 119.950 -0.345 0.000 2.192 556 F HA -0.236 4.304 4.527 0.022 0.000 0.301 556 F C 2.677 178.344 175.800 -0.221 0.000 1.079 556 F CA 1.054 58.822 58.000 -0.387 0.000 1.303 556 F CB -0.237 38.301 39.000 -0.771 0.000 1.024 556 F HN 0.181 nan 8.300 nan 0.000 0.494 557 R N 0.071 120.576 120.500 0.008 0.000 2.153 557 R HA -0.129 4.224 4.340 0.021 0.000 0.218 557 R C 2.097 178.419 176.300 0.036 0.000 1.072 557 R CA 0.881 56.991 56.100 0.016 0.000 0.990 557 R CB -0.388 29.919 30.300 0.011 0.000 0.889 557 R HN 0.405 nan 8.270 nan 0.000 0.452 558 Q N -0.079 119.777 119.800 0.093 0.000 2.163 558 Q HA -0.044 4.308 4.340 0.021 0.000 0.198 558 Q C -0.411 175.649 176.000 0.099 0.000 0.954 558 Q CA 0.868 56.742 55.803 0.119 0.000 0.851 558 Q CB 0.415 29.258 28.738 0.175 0.000 0.928 558 Q HN 0.178 nan 8.270 nan 0.000 0.459 559 Y N 0.704 120.980 120.300 -0.041 0.000 2.434 559 Y HA 0.240 4.801 4.550 0.019 0.000 0.341 559 Y C -1.700 174.170 175.900 -0.050 0.000 0.965 559 Y CA -3.077 55.001 58.100 -0.037 0.000 1.205 559 Y CB 1.028 39.474 38.460 -0.024 0.000 1.121 559 Y HN 0.148 nan 8.280 nan 0.000 0.507 560 P HA -0.239 nan 4.420 nan 0.000 0.216 560 P C 1.023 178.325 177.300 0.004 0.000 1.167 560 P CA 1.922 65.020 63.100 -0.004 0.000 0.914 560 P CB 0.332 32.013 31.700 -0.032 0.000 0.793 561 R N -1.091 119.432 120.500 0.037 0.000 2.339 561 R HA 0.092 4.445 4.340 0.021 0.000 0.199 561 R C 0.635 176.922 176.300 -0.022 0.000 1.018 561 R CA 0.121 56.226 56.100 0.010 0.000 1.036 561 R CB -0.569 29.744 30.300 0.021 0.000 0.899 561 R HN 0.254 nan 8.270 nan 0.000 0.473 562 L N 2.055 123.282 121.223 0.006 0.000 2.328 562 L HA 0.138 4.491 4.340 0.021 0.000 0.280 562 L C 0.497 177.228 176.870 -0.231 0.000 1.111 562 L CA -0.035 54.756 54.840 -0.081 0.000 0.909 562 L CB 1.123 43.195 42.059 0.021 0.000 1.277 562 L HN 0.092 nan 8.230 nan 0.000 0.433 563 Q N 2.435 122.040 119.800 -0.324 0.000 2.282 563 Q HA 0.251 4.604 4.340 0.021 0.000 0.205 563 Q C 1.077 176.688 176.000 -0.649 0.000 0.915 563 Q CA 0.239 55.812 55.803 -0.384 0.000 0.949 563 Q CB 0.441 29.039 28.738 -0.233 0.000 1.035 563 Q HN 0.894 nan 8.270 nan 0.000 0.484 564 G N -0.398 107.647 108.800 -1.259 0.000 2.545 564 G HA2 0.056 4.028 3.960 0.021 0.000 0.216 564 G HA3 0.056 4.028 3.960 0.021 0.000 0.216 564 G C -0.181 173.888 174.900 -1.385 0.000 1.314 564 G CA -0.806 43.192 45.100 -1.836 0.000 0.906 564 G HN 0.637 nan 8.290 nan 0.000 0.563 565 G N -2.512 105.755 108.800 -0.889 0.000 2.430 565 G HA2 0.661 4.634 3.960 0.021 0.000 0.300 565 G HA3 0.661 4.634 3.960 0.021 0.000 0.300 565 G C -1.816 173.055 174.900 -0.048 0.000 1.330 565 G CA -0.323 44.498 45.100 -0.465 0.000 0.813 565 G HN 1.116 nan 8.290 nan 0.000 0.487 566 F N 0.975 121.116 119.950 0.319 0.000 2.382 566 F HA 0.487 5.026 4.527 0.020 0.000 0.361 566 F C 0.737 176.834 175.800 0.495 0.000 1.109 566 F CA -0.672 57.570 58.000 0.405 0.000 1.031 566 F CB 1.937 41.076 39.000 0.232 0.000 1.234 566 F HN 0.228 nan 8.300 nan 0.000 0.445 567 V N 3.265 123.529 119.914 0.583 0.000 2.872 567 V HA -0.144 3.988 4.120 0.021 0.000 0.307 567 V C -0.141 176.123 176.094 0.282 0.000 1.072 567 V CA -0.298 62.127 62.300 0.208 0.000 1.148 567 V CB 0.670 32.567 31.823 0.122 0.000 0.954 567 V HN 0.758 nan 8.190 nan 0.000 0.490 568 W N 6.414 127.773 121.300 0.099 0.000 2.294 568 W HA 0.471 5.143 4.660 0.021 0.000 0.314 568 W C -0.781 175.756 176.519 0.029 0.000 1.044 568 W CA -0.578 56.868 57.345 0.167 0.000 1.284 568 W CB 1.380 31.079 29.460 0.398 0.000 1.231 568 W HN 0.916 nan 8.180 nan 0.000 0.419 569 D N 3.335 123.428 120.400 -0.511 0.000 2.812 569 D HA 0.068 4.720 4.640 0.021 0.000 0.318 569 D C 0.711 176.793 176.300 -0.364 0.000 1.234 569 D CA -0.541 53.048 54.000 -0.685 0.000 0.989 569 D CB 0.275 40.029 40.800 -1.744 0.000 1.442 569 D HN 0.461 nan 8.370 nan 0.000 0.537 570 W N 0.601 121.609 121.300 -0.488 0.000 2.119 570 W HA -0.082 4.591 4.660 0.022 0.000 0.314 570 W C 0.406 176.737 176.519 -0.314 0.000 1.154 570 W CA 1.415 58.538 57.345 -0.370 0.000 1.103 570 W CB -0.209 29.069 29.460 -0.304 0.000 1.165 570 W HN 0.146 nan 8.180 nan 0.000 0.469 571 V N 2.456 122.132 119.914 -0.396 0.000 2.612 571 V HA 0.183 4.316 4.120 0.021 0.000 0.301 571 V C -0.621 175.293 176.094 -0.300 0.000 1.046 571 V CA -0.730 61.285 62.300 -0.475 0.000 0.946 571 V CB 1.259 32.912 31.823 -0.284 0.000 1.003 571 V HN 0.052 nan 8.190 nan 0.000 0.459 572 D N 3.793 124.044 120.400 -0.248 0.000 2.488 572 D HA 0.063 4.716 4.640 0.021 0.000 0.238 572 D C 0.288 176.478 176.300 -0.183 0.000 1.138 572 D CA 0.702 54.599 54.000 -0.171 0.000 0.873 572 D CB 0.844 41.639 40.800 -0.010 0.000 1.183 572 D HN 0.723 nan 8.370 nan 0.000 0.458 573 Q N 1.670 121.285 119.800 -0.308 0.000 3.041 573 Q HA 0.170 4.523 4.340 0.021 0.000 0.372 573 Q C -0.719 175.177 176.000 -0.174 0.000 1.241 573 Q CA -0.506 54.862 55.803 -0.724 0.000 1.010 573 Q CB -0.107 28.248 28.738 -0.639 0.000 1.467 573 Q HN 0.411 nan 8.270 nan 0.000 0.462 574 S N 0.157 115.941 115.700 0.139 0.000 2.745 574 S HA 0.752 5.234 4.470 0.021 0.000 0.292 574 S C -0.259 174.540 174.600 0.331 0.000 1.133 574 S CA -0.803 57.591 58.200 0.323 0.000 0.998 574 S CB 1.359 64.720 63.200 0.270 0.000 1.087 574 S HN 0.404 nan 8.310 nan 0.000 0.551 575 L N 0.393 121.692 121.223 0.127 0.000 2.393 575 L HA 0.511 4.864 4.340 0.021 0.000 0.260 575 L C -0.981 175.778 176.870 -0.186 0.000 1.002 575 L CA -1.037 53.758 54.840 -0.074 0.000 0.818 575 L CB 1.528 43.444 42.059 -0.238 0.000 1.369 575 L HN 0.515 nan 8.230 nan 0.000 0.412 576 I N 2.302 122.695 120.570 -0.295 0.000 2.441 576 I HA 0.267 4.450 4.170 0.021 0.000 0.287 576 I C 0.211 175.888 176.117 -0.734 0.000 1.049 576 I CA -0.110 60.871 61.300 -0.532 0.000 1.381 576 I CB 0.621 38.295 38.000 -0.544 0.000 1.409 576 I HN 0.569 nan 8.210 nan 0.000 0.523 577 K N 5.907 125.605 120.400 -1.170 0.000 2.306 577 K HA 0.577 4.910 4.320 0.021 0.000 0.236 577 K C -1.386 174.496 176.600 -1.196 0.000 1.013 577 K CA -0.796 54.768 56.287 -1.205 0.000 0.857 577 K CB 1.838 33.405 32.500 -1.555 0.000 1.214 577 K HN 0.235 nan 8.250 nan 0.000 0.449 578 Y N 0.630 120.754 120.300 -0.294 0.000 2.429 578 Y HA 0.119 4.682 4.550 0.021 0.000 0.342 578 Y C 0.210 176.254 175.900 0.239 0.000 1.004 578 Y CA -0.995 57.106 58.100 0.002 0.000 1.075 578 Y CB 1.425 39.879 38.460 -0.010 0.000 1.214 578 Y HN 0.680 nan 8.280 nan 0.000 0.455 579 D N 0.152 120.844 120.400 0.486 0.000 2.423 579 D HA 0.069 4.722 4.640 0.021 0.000 0.255 579 D C 0.630 177.039 176.300 0.183 0.000 1.174 579 D CA -0.465 53.726 54.000 0.318 0.000 1.008 579 D CB 0.769 41.684 40.800 0.193 0.000 1.101 579 D HN 0.710 nan 8.370 nan 0.000 0.516 580 E N 0.327 120.586 120.200 0.098 0.000 2.108 580 E HA -0.302 4.061 4.350 0.021 0.000 0.203 580 E C 1.173 177.802 176.600 0.048 0.000 1.022 580 E CA 1.670 58.102 56.400 0.054 0.000 0.823 580 E CB -0.535 29.175 29.700 0.018 0.000 0.744 580 E HN 0.387 nan 8.360 nan 0.000 0.456 581 N N 0.263 118.995 118.700 0.053 0.000 2.550 581 N HA 0.007 4.760 4.740 0.021 0.000 0.186 581 N C 0.963 176.503 175.510 0.050 0.000 1.110 581 N CA 1.147 54.222 53.050 0.042 0.000 0.912 581 N CB 0.529 39.039 38.487 0.039 0.000 0.968 581 N HN 0.458 nan 8.380 nan 0.000 0.448 582 G N 0.358 109.210 108.800 0.086 0.000 2.132 582 G HA2 -0.252 3.721 3.960 0.021 0.000 0.228 582 G HA3 -0.252 3.721 3.960 0.021 0.000 0.228 582 G C -0.346 174.654 174.900 0.166 0.000 1.000 582 G CA -0.446 44.690 45.100 0.060 0.000 0.693 582 G HN 0.249 nan 8.290 nan 0.000 0.515 583 N N 1.726 120.579 118.700 0.255 0.000 2.444 583 N HA 0.482 5.235 4.740 0.021 0.000 0.271 583 N C -2.268 173.506 175.510 0.441 0.000 1.069 583 N CA -1.382 51.847 53.050 0.299 0.000 0.965 583 N CB 1.646 40.254 38.487 0.201 0.000 1.092 583 N HN 0.189 nan 8.380 nan 0.000 0.476 584 P HA 0.273 nan 4.420 nan 0.000 0.278 584 P C -0.489 176.849 177.300 0.062 0.000 1.238 584 P CA -0.367 62.703 63.100 -0.049 0.000 0.794 584 P CB 0.659 32.304 31.700 -0.091 0.000 0.955 585 W N -0.164 120.963 121.300 -0.289 0.000 3.075 585 W HA 0.514 5.187 4.660 0.021 0.000 0.334 585 W C -1.622 174.709 176.519 -0.314 0.000 1.243 585 W CA -1.096 56.078 57.345 -0.285 0.000 1.170 585 W CB 0.313 29.553 29.460 -0.367 0.000 1.452 585 W HN 0.196 nan 8.180 nan 0.000 0.572 586 S N 1.488 117.180 115.700 -0.012 0.000 2.429 586 S HA 0.683 5.166 4.470 0.021 0.000 0.302 586 S C 0.110 174.749 174.600 0.066 0.000 1.115 586 S CA -0.524 57.642 58.200 -0.058 0.000 1.095 586 S CB 1.411 64.650 63.200 0.066 0.000 0.987 586 S HN 0.714 nan 8.310 nan 0.000 0.474 587 A N 2.378 125.101 122.820 -0.162 0.000 2.261 587 A HA 0.945 5.278 4.320 0.021 0.000 0.323 587 A C -0.609 177.208 177.584 0.388 0.000 1.107 587 A CA -0.635 51.410 52.037 0.013 0.000 0.883 587 A CB 0.496 19.368 19.000 -0.213 0.000 1.251 587 A HN 0.970 nan 8.150 nan 0.000 0.502 588 Y N -2.335 118.331 120.300 0.611 0.000 3.059 588 Y HA 0.695 5.258 4.550 0.022 0.000 0.301 588 Y C 0.473 176.777 175.900 0.673 0.000 1.677 588 Y CA -1.359 57.093 58.100 0.587 0.000 1.079 588 Y CB -0.055 38.549 38.460 0.241 0.000 1.534 588 Y HN 0.996 nan 8.280 nan 0.000 0.473 589 G N 0.127 109.335 108.800 0.680 0.000 2.225 589 G HA2 0.394 4.367 3.960 0.021 0.000 0.245 589 G HA3 0.394 4.367 3.960 0.021 0.000 0.245 589 G C 0.993 176.244 174.900 0.584 0.000 1.249 589 G CA 0.427 45.844 45.100 0.528 0.000 0.919 589 G HN 2.036 nan 8.290 nan 0.000 0.486 590 G N 2.235 111.360 108.800 0.541 0.000 2.168 590 G HA2 -0.256 3.717 3.960 0.021 0.000 0.263 590 G HA3 -0.256 3.717 3.960 0.021 0.000 0.263 590 G C 0.657 175.824 174.900 0.445 0.000 0.977 590 G CA 0.544 45.910 45.100 0.442 0.000 0.659 590 G HN 0.671 nan 8.290 nan 0.000 0.533 591 D N -0.699 120.042 120.400 0.569 0.000 2.319 591 D HA 0.318 4.971 4.640 0.021 0.000 0.230 591 D C 0.952 177.267 176.300 0.026 0.000 1.094 591 D CA 0.171 54.351 54.000 0.300 0.000 0.856 591 D CB -0.093 40.836 40.800 0.215 0.000 0.915 591 D HN 0.436 nan 8.370 nan 0.000 0.517 592 F N -1.251 118.822 119.950 0.205 0.000 2.856 592 F HA 0.285 4.825 4.527 0.022 0.000 0.338 592 F C 1.822 177.712 175.800 0.151 0.000 1.100 592 F CA -0.172 57.912 58.000 0.139 0.000 1.150 592 F CB 0.923 39.993 39.000 0.117 0.000 1.101 592 F HN -0.003 nan 8.300 nan 0.000 0.548 593 G N 0.178 109.180 108.800 0.337 0.000 2.234 593 G HA2 -0.262 3.710 3.960 0.021 0.000 0.235 593 G HA3 -0.262 3.710 3.960 0.021 0.000 0.235 593 G C -0.132 174.922 174.900 0.258 0.000 0.997 593 G CA -0.118 45.132 45.100 0.249 0.000 0.623 593 G HN 0.360 nan 8.290 nan 0.000 0.514 594 D N 0.842 121.442 120.400 0.333 0.000 2.772 594 D HA 0.288 4.941 4.640 0.021 0.000 0.227 594 D C -0.115 176.307 176.300 0.202 0.000 1.114 594 D CA 1.571 55.740 54.000 0.282 0.000 0.832 594 D CB 0.714 41.723 40.800 0.349 0.000 1.154 594 D HN 0.229 nan 8.370 nan 0.000 0.514 595 T N 2.474 117.117 114.554 0.149 0.000 3.143 595 T HA 0.411 4.774 4.350 0.021 0.000 0.312 595 T C -2.573 172.162 174.700 0.059 0.000 0.986 595 T CA -1.077 61.082 62.100 0.097 0.000 1.024 595 T CB 1.421 70.349 68.868 0.099 0.000 1.030 595 T HN 0.271 nan 8.240 nan 0.000 0.448 596 P HA 0.621 nan 4.420 nan 0.000 0.284 596 P C -1.207 176.080 177.300 -0.022 0.000 1.292 596 P CA -0.750 62.352 63.100 0.003 0.000 0.800 596 P CB 0.678 32.358 31.700 -0.034 0.000 1.188 597 N N -2.339 116.351 118.700 -0.017 0.000 2.329 597 N HA 0.245 4.997 4.740 0.021 0.000 0.282 597 N C -1.027 174.454 175.510 -0.047 0.000 1.198 597 N CA -0.695 52.328 53.050 -0.045 0.000 0.790 597 N CB 1.038 39.601 38.487 0.127 0.000 1.579 597 N HN 0.033 nan 8.380 nan 0.000 0.475 598 D N 0.620 120.947 120.400 -0.121 0.000 2.587 598 D HA 0.115 4.768 4.640 0.021 0.000 0.233 598 D C 0.502 176.983 176.300 0.303 0.000 1.213 598 D CA -0.028 53.975 54.000 0.004 0.000 0.827 598 D CB 0.004 40.677 40.800 -0.213 0.000 1.006 598 D HN 0.724 nan 8.370 nan 0.000 0.490 599 R N 0.651 121.318 120.500 0.277 0.000 3.614 599 R HA -0.339 4.014 4.340 0.021 0.000 0.542 599 R C 1.283 177.574 176.300 -0.015 0.000 0.241 599 R CA 1.704 57.951 56.100 0.245 0.000 1.684 599 R CB -1.578 28.811 30.300 0.148 0.000 0.889 599 R HN 0.176 nan 8.270 nan 0.000 0.611 600 Q N 1.591 121.113 119.800 -0.464 0.000 2.466 600 Q HA -0.009 4.344 4.340 0.021 0.000 0.210 600 Q C 1.449 177.177 176.000 -0.454 0.000 0.961 600 Q CA 1.223 56.564 55.803 -0.770 0.000 0.953 600 Q CB 0.069 28.143 28.738 -1.107 0.000 1.011 600 Q HN 0.610 nan 8.270 nan 0.000 0.516 601 F N 1.484 121.323 119.950 -0.184 0.000 2.408 601 F HA -0.135 4.405 4.527 0.021 0.000 0.300 601 F C 2.431 178.149 175.800 -0.136 0.000 1.090 601 F CA 1.141 59.105 58.000 -0.061 0.000 1.427 601 F CB -0.388 38.643 39.000 0.052 0.000 1.070 601 F HN 0.446 nan 8.300 nan 0.000 0.549 602 C N -0.697 118.316 119.300 -0.479 0.000 2.485 602 C HA 0.119 4.592 4.460 0.021 0.000 0.283 602 C C 0.967 175.739 174.990 -0.364 0.000 1.478 602 C CA -0.422 58.108 59.018 -0.813 0.000 1.741 602 C CB -1.980 24.671 27.740 -1.816 0.000 1.675 602 C HN 0.224 nan 8.230 nan 0.000 0.573 603 M N 2.263 121.709 119.600 -0.257 0.000 2.023 603 M HA 0.321 4.814 4.480 0.021 0.000 0.325 603 M C -0.348 175.816 176.300 -0.226 0.000 0.963 603 M CA 0.265 55.443 55.300 -0.204 0.000 0.928 603 M CB 0.355 32.877 32.600 -0.130 0.000 1.429 603 M HN 0.280 nan 8.290 nan 0.000 0.404 604 N N 0.804 119.355 118.700 -0.248 0.000 2.232 604 N HA 0.178 4.930 4.740 0.021 0.000 0.240 604 N C 0.387 175.619 175.510 -0.464 0.000 1.307 604 N CA -0.574 52.277 53.050 -0.333 0.000 0.859 604 N CB 1.226 39.643 38.487 -0.117 0.000 1.260 604 N HN 0.709 nan 8.380 nan 0.000 0.501 605 G N 0.151 108.638 108.800 -0.523 0.000 2.539 605 G HA2 0.304 4.277 3.960 0.021 0.000 0.258 605 G HA3 0.304 4.277 3.960 0.021 0.000 0.258 605 G C 0.702 175.086 174.900 -0.859 0.000 1.202 605 G CA -0.454 44.276 45.100 -0.616 0.000 0.851 605 G HN 0.101 nan 8.290 nan 0.000 0.556 606 L N 0.108 120.929 121.223 -0.669 0.000 2.341 606 L HA 0.135 4.488 4.340 0.021 0.000 0.214 606 L C 0.932 177.530 176.870 -0.454 0.000 1.115 606 L CA 0.320 54.837 54.840 -0.538 0.000 0.820 606 L CB -0.116 41.751 42.059 -0.320 0.000 0.944 606 L HN 0.420 nan 8.230 nan 0.000 0.452 607 V N -4.909 114.660 119.914 -0.576 0.000 2.960 607 V HA 0.471 4.604 4.120 0.021 0.000 0.315 607 V C -0.309 175.672 176.094 -0.188 0.000 1.087 607 V CA -1.243 60.854 62.300 -0.338 0.000 0.982 607 V CB 1.587 33.015 31.823 -0.658 0.000 1.039 607 V HN -0.138 nan 8.190 nan 0.000 0.437 608 F N 1.386 121.345 119.950 0.016 0.000 2.444 608 F HA 0.570 5.110 4.527 0.022 0.000 0.331 608 F C 1.909 177.652 175.800 -0.096 0.000 1.167 608 F CA 0.465 58.462 58.000 -0.005 0.000 1.262 608 F CB 1.159 40.068 39.000 -0.150 0.000 1.196 608 F HN 0.785 nan 8.300 nan 0.000 0.583 609 A N 1.027 123.946 122.820 0.165 0.000 1.986 609 A HA -0.251 4.081 4.320 0.021 0.000 0.220 609 A C 1.780 179.347 177.584 -0.028 0.000 1.171 609 A CA 2.011 54.092 52.037 0.073 0.000 0.640 609 A CB -0.917 18.168 19.000 0.142 0.000 0.811 609 A HN 0.823 nan 8.150 nan 0.000 0.451 610 D N -2.710 117.682 120.400 -0.014 0.000 2.349 610 D HA 0.019 4.672 4.640 0.021 0.000 0.224 610 D C 0.348 176.627 176.300 -0.035 0.000 1.029 610 D CA 0.287 54.245 54.000 -0.070 0.000 0.879 610 D CB -0.158 40.594 40.800 -0.079 0.000 0.906 610 D HN 0.183 nan 8.370 nan 0.000 0.528 611 R N -1.467 119.020 120.500 -0.022 0.000 3.739 611 R HA -0.101 4.252 4.340 0.021 0.000 0.338 611 R C -0.535 175.763 176.300 -0.003 0.000 1.151 611 R CA 0.546 56.623 56.100 -0.038 0.000 0.873 611 R CB -3.391 26.923 30.300 0.022 0.000 1.455 611 R HN 0.231 nan 8.270 nan 0.000 0.502 612 T N 1.987 116.579 114.554 0.063 0.000 2.875 612 T HA 0.540 4.903 4.350 0.021 0.000 0.284 612 T C -2.468 172.325 174.700 0.155 0.000 0.995 612 T CA -1.568 60.598 62.100 0.110 0.000 1.060 612 T CB 1.611 70.525 68.868 0.076 0.000 0.967 612 T HN -0.144 nan 8.240 nan 0.000 0.476 613 P HA 0.291 nan 4.420 nan 0.000 0.276 613 P C -0.692 176.554 177.300 -0.091 0.000 1.230 613 P CA -0.407 62.687 63.100 -0.010 0.000 0.776 613 P CB 0.323 32.028 31.700 0.009 0.000 0.888 614 H N 3.923 122.795 119.070 -0.329 0.000 2.551 614 H HA 0.144 4.714 4.556 0.022 0.000 0.358 614 H C -1.141 174.079 175.328 -0.180 0.000 1.151 614 H CA -1.326 54.499 56.048 -0.372 0.000 1.374 614 H CB -0.298 29.210 29.762 -0.423 0.000 1.473 614 H HN 0.343 nan 8.280 nan 0.000 0.574 615 P HA -0.168 nan 4.420 nan 0.000 0.218 615 P C 1.092 178.394 177.300 0.003 0.000 1.149 615 P CA 1.661 64.750 63.100 -0.018 0.000 0.817 615 P CB -0.001 31.686 31.700 -0.022 0.000 0.785 616 A N 0.001 122.819 122.820 -0.004 0.000 2.032 616 A HA -0.203 4.130 4.320 0.021 0.000 0.221 616 A C 2.160 179.704 177.584 -0.066 0.000 1.165 616 A CA 1.551 53.549 52.037 -0.064 0.000 0.645 616 A CB -1.679 17.235 19.000 -0.142 0.000 0.807 616 A HN 0.200 nan 8.150 nan 0.000 0.453 617 L N -0.518 120.688 121.223 -0.029 0.000 2.013 617 L HA -0.184 4.168 4.340 0.021 0.000 0.212 617 L C 2.513 179.445 176.870 0.105 0.000 1.073 617 L CA 2.911 57.776 54.840 0.041 0.000 0.753 617 L CB -1.062 41.026 42.059 0.048 0.000 0.890 617 L HN 0.391 nan 8.230 nan 0.000 0.432 618 T N -1.398 113.220 114.554 0.106 0.000 2.720 618 T HA -0.271 4.092 4.350 0.021 0.000 0.268 618 T C 1.832 176.660 174.700 0.212 0.000 1.037 618 T CA 1.692 63.905 62.100 0.188 0.000 1.144 618 T CB -0.256 68.695 68.868 0.138 0.000 0.864 618 T HN 0.567 nan 8.240 nan 0.000 0.444 619 E N 0.587 120.860 120.200 0.121 0.000 2.085 619 E HA -0.010 4.353 4.350 0.021 0.000 0.194 619 E C 2.180 178.846 176.600 0.110 0.000 0.994 619 E CA 1.454 57.936 56.400 0.137 0.000 0.801 619 E CB -0.662 29.086 29.700 0.080 0.000 0.743 619 E HN 0.560 nan 8.360 nan 0.000 0.453 620 A N 0.955 123.762 122.820 -0.022 0.000 1.858 620 A HA -0.252 4.081 4.320 0.021 0.000 0.216 620 A C 2.157 179.645 177.584 -0.160 0.000 1.190 620 A CA 2.131 54.122 52.037 -0.077 0.000 0.617 620 A CB -0.745 18.182 19.000 -0.122 0.000 0.827 620 A HN 0.293 nan 8.150 nan 0.000 0.443 621 K N -0.888 119.502 120.400 -0.016 0.000 2.077 621 K HA -0.325 4.008 4.320 0.021 0.000 0.213 621 K C 2.000 178.524 176.600 -0.127 0.000 1.051 621 K CA 2.420 58.712 56.287 0.009 0.000 0.929 621 K CB -0.439 32.217 32.500 0.260 0.000 0.715 621 K HN 0.693 nan 8.250 nan 0.000 0.451 622 H N -0.388 118.553 119.070 -0.214 0.000 2.395 622 H HA 0.046 4.615 4.556 0.022 0.000 0.299 622 H C 1.669 176.759 175.328 -0.398 0.000 1.070 622 H CA 1.586 57.350 56.048 -0.473 0.000 1.356 622 H CB 0.221 29.718 29.762 -0.442 0.000 1.401 622 H HN 0.295 nan 8.280 nan 0.000 0.524 623 Q N 0.002 119.511 119.800 -0.485 0.000 2.389 623 Q HA -0.019 4.334 4.340 0.021 0.000 0.204 623 Q C 1.391 176.886 176.000 -0.841 0.000 0.944 623 Q CA 0.702 56.134 55.803 -0.619 0.000 0.908 623 Q CB 0.360 28.835 28.738 -0.438 0.000 1.002 623 Q HN 0.724 nan 8.270 nan 0.000 0.493 624 Q N 0.368 119.642 119.800 -0.878 0.000 2.360 624 Q HA 0.062 4.415 4.340 0.021 0.000 0.202 624 Q C -0.051 175.457 176.000 -0.819 0.000 0.915 624 Q CA -0.129 55.064 55.803 -1.017 0.000 0.943 624 Q CB 0.319 28.459 28.738 -0.996 0.000 1.064 624 Q HN 0.415 nan 8.270 nan 0.000 0.511 625 Q N -0.254 119.187 119.800 -0.598 0.000 2.414 625 Q HA -0.074 4.279 4.340 0.021 0.000 0.288 625 Q C 0.005 175.690 176.000 -0.525 0.000 1.086 625 Q CA 0.408 55.981 55.803 -0.384 0.000 0.943 625 Q CB 0.370 28.954 28.738 -0.257 0.000 1.282 625 Q HN 0.252 nan 8.270 nan 0.000 0.438 626 F N -0.091 119.670 119.950 -0.316 0.000 2.754 626 F HA 0.187 4.727 4.527 0.021 0.000 0.297 626 F C 0.023 175.352 175.800 -0.785 0.000 1.122 626 F CA 0.013 57.607 58.000 -0.676 0.000 1.400 626 F CB 0.528 38.794 39.000 -1.224 0.000 1.117 626 F HN 0.322 nan 8.300 nan 0.000 0.587 627 F N 0.660 120.575 119.950 -0.059 0.000 2.482 627 F HA 0.468 5.008 4.527 0.022 0.000 0.331 627 F C -0.006 175.432 175.800 -0.604 0.000 1.115 627 F CA -1.107 56.727 58.000 -0.277 0.000 0.955 627 F CB 1.070 39.950 39.000 -0.200 0.000 1.136 627 F HN -0.302 nan 8.300 nan 0.000 0.452 628 Q N 3.402 122.909 119.800 -0.489 0.000 2.282 628 Q HA 0.519 4.872 4.340 0.021 0.000 0.260 628 Q C -1.359 174.287 176.000 -0.590 0.000 0.964 628 Q CA -0.570 54.969 55.803 -0.440 0.000 0.880 628 Q CB 2.735 31.356 28.738 -0.196 0.000 1.286 628 Q HN 0.540 nan 8.270 nan 0.000 0.445 629 F N 0.619 120.672 119.950 0.172 0.000 2.532 629 F HA 0.566 5.106 4.527 0.022 0.000 0.321 629 F C 0.462 176.498 175.800 0.394 0.000 1.089 629 F CA -0.793 57.391 58.000 0.307 0.000 0.926 629 F CB 1.935 41.201 39.000 0.444 0.000 1.168 629 F HN 0.136 nan 8.300 nan 0.000 0.459 630 R N 1.878 122.694 120.500 0.527 0.000 2.744 630 R HA 0.709 5.062 4.340 0.021 0.000 0.279 630 R C -1.914 174.506 176.300 0.200 0.000 0.977 630 R CA -1.248 55.089 56.100 0.395 0.000 0.906 630 R CB 2.836 33.255 30.300 0.199 0.000 1.197 630 R HN 0.586 nan 8.270 nan 0.000 0.463 631 L N 0.820 122.050 121.223 0.013 0.000 2.341 631 L HA 0.480 4.833 4.340 0.021 0.000 0.278 631 L C -0.941 175.804 176.870 -0.209 0.000 1.005 631 L CA 0.090 54.700 54.840 -0.383 0.000 0.818 631 L CB 2.139 43.540 42.059 -1.096 0.000 1.259 631 L HN 0.498 nan 8.230 nan 0.000 0.418 632 S N 3.819 119.402 115.700 -0.194 0.000 2.664 632 S HA 0.660 5.143 4.470 0.021 0.000 0.262 632 S C 0.430 174.940 174.600 -0.150 0.000 1.229 632 S CA 0.237 58.359 58.200 -0.129 0.000 1.151 632 S CB -0.026 63.129 63.200 -0.074 0.000 1.054 632 S HN 1.472 nan 8.310 nan 0.000 0.483 633 G N 4.250 112.956 108.800 -0.158 0.000 2.675 633 G HA2 -0.317 3.656 3.960 0.021 0.000 0.312 633 G HA3 -0.317 3.656 3.960 0.021 0.000 0.312 633 G C 0.419 175.202 174.900 -0.195 0.000 1.186 633 G CA 0.728 45.739 45.100 -0.149 0.000 0.965 633 G HN 0.636 nan 8.290 nan 0.000 0.548 634 Q N 1.259 120.952 119.800 -0.178 0.000 2.179 634 Q HA 0.318 4.671 4.340 0.021 0.000 0.213 634 Q C -0.258 175.609 176.000 -0.222 0.000 0.833 634 Q CA 0.508 56.184 55.803 -0.210 0.000 0.990 634 Q CB 0.756 29.391 28.738 -0.172 0.000 1.132 634 Q HN 0.564 nan 8.270 nan 0.000 0.493 635 T N 0.312 114.744 114.554 -0.203 0.000 2.823 635 T HA 0.553 4.915 4.350 0.021 0.000 0.279 635 T C -0.112 174.473 174.700 -0.192 0.000 0.998 635 T CA -0.461 61.537 62.100 -0.170 0.000 0.994 635 T CB 1.562 70.367 68.868 -0.106 0.000 0.960 635 T HN 0.042 nan 8.240 nan 0.000 0.448 636 I N 2.073 122.559 120.570 -0.141 0.000 2.377 636 I HA 0.365 4.547 4.170 0.021 0.000 0.293 636 I C 0.381 176.527 176.117 0.048 0.000 0.987 636 I CA -0.604 60.659 61.300 -0.062 0.000 1.185 636 I CB 1.596 39.589 38.000 -0.012 0.000 1.341 636 I HN 0.573 nan 8.210 nan 0.000 0.455 637 E N 6.235 126.503 120.200 0.113 0.000 2.149 637 E HA 0.402 4.765 4.350 0.021 0.000 0.255 637 E C -1.355 175.344 176.600 0.164 0.000 0.888 637 E CA -0.528 55.942 56.400 0.115 0.000 0.742 637 E CB 1.560 31.305 29.700 0.076 0.000 1.164 637 E HN 0.371 nan 8.360 nan 0.000 0.422 638 V N 3.145 123.147 119.914 0.145 0.000 2.539 638 V HA 0.434 4.567 4.120 0.021 0.000 0.292 638 V C 0.109 176.226 176.094 0.038 0.000 1.045 638 V CA -0.443 61.906 62.300 0.082 0.000 0.945 638 V CB 1.688 33.612 31.823 0.169 0.000 0.993 638 V HN 0.629 nan 8.190 nan 0.000 0.464 639 T N 2.276 116.811 114.554 -0.032 0.000 2.928 639 T HA 0.279 4.642 4.350 0.021 0.000 0.296 639 T C -0.307 174.382 174.700 -0.018 0.000 1.000 639 T CA -0.400 61.691 62.100 -0.015 0.000 0.989 639 T CB 1.573 70.405 68.868 -0.060 0.000 1.005 639 T HN 0.602 nan 8.240 nan 0.000 0.442 640 S N 1.776 117.478 115.700 0.003 0.000 2.439 640 S HA 0.159 4.642 4.470 0.021 0.000 0.282 640 S C 0.883 175.390 174.600 -0.156 0.000 1.170 640 S CA -0.581 57.563 58.200 -0.093 0.000 1.054 640 S CB 0.251 63.464 63.200 0.021 0.000 0.956 640 S HN 0.668 nan 8.310 nan 0.000 0.490 641 E N 3.650 123.680 120.200 -0.282 0.000 2.437 641 E HA 0.056 4.419 4.350 0.021 0.000 0.189 641 E C -0.820 175.650 176.600 -0.217 0.000 1.054 641 E CA -0.011 56.253 56.400 -0.228 0.000 0.874 641 E CB 0.219 29.774 29.700 -0.242 0.000 1.011 641 E HN 0.661 nan 8.360 nan 0.000 0.474 642 Y N 0.524 120.741 120.300 -0.139 0.000 2.319 642 Y HA 0.074 4.637 4.550 0.021 0.000 0.328 642 Y C 1.323 177.103 175.900 -0.201 0.000 1.133 642 Y CA -0.143 57.863 58.100 -0.157 0.000 1.265 642 Y CB 0.891 39.226 38.460 -0.208 0.000 1.218 642 Y HN -0.019 nan 8.280 nan 0.000 0.508 643 L N 1.903 123.028 121.223 -0.164 0.000 2.354 643 L HA 0.015 4.368 4.340 0.021 0.000 0.212 643 L C 0.564 177.022 176.870 -0.687 0.000 1.091 643 L CA 0.863 55.353 54.840 -0.585 0.000 0.828 643 L CB 0.032 41.431 42.059 -1.100 0.000 0.973 643 L HN 0.663 nan 8.230 nan 0.000 0.461 644 F N -0.991 118.980 119.950 0.036 0.000 2.834 644 F HA 0.214 4.753 4.527 0.020 0.000 0.332 644 F C 1.064 176.855 175.800 -0.014 0.000 1.056 644 F CA -0.748 57.248 58.000 -0.007 0.000 1.178 644 F CB 0.330 39.306 39.000 -0.039 0.000 1.037 644 F HN -0.136 nan 8.300 nan 0.000 0.580 645 R N 0.136 120.708 120.500 0.121 0.000 2.664 645 R HA 0.376 4.729 4.340 0.021 0.000 0.286 645 R C -0.808 175.464 176.300 -0.046 0.000 0.967 645 R CA -0.651 55.434 56.100 -0.025 0.000 0.933 645 R CB 1.097 31.280 30.300 -0.195 0.000 1.146 645 R HN -0.004 nan 8.270 nan 0.000 0.468 646 H N 2.074 121.108 119.070 -0.060 0.000 2.548 646 H HA 0.061 4.630 4.556 0.021 0.000 0.331 646 H C -0.223 175.109 175.328 0.005 0.000 1.093 646 H CA -0.098 55.950 56.048 -0.001 0.000 1.367 646 H CB 1.493 31.268 29.762 0.022 0.000 1.455 646 H HN 0.807 nan 8.280 nan 0.000 0.519 647 S N 2.829 118.570 115.700 0.067 0.000 3.911 647 S HA -0.100 4.383 4.470 0.021 0.000 0.188 647 S C 0.505 175.308 174.600 0.338 0.000 1.147 647 S CA -0.076 58.267 58.200 0.238 0.000 0.961 647 S CB -0.832 62.493 63.200 0.208 0.000 1.582 647 S HN 0.651 nan 8.310 nan 0.000 0.458 648 D N 0.703 121.256 120.400 0.255 0.000 2.340 648 D HA 0.053 4.706 4.640 0.021 0.000 0.217 648 D C 0.329 176.680 176.300 0.086 0.000 1.081 648 D CA -0.300 53.791 54.000 0.152 0.000 0.842 648 D CB -0.309 40.538 40.800 0.078 0.000 0.934 648 D HN 0.539 nan 8.370 nan 0.000 0.511 649 N N -0.093 118.665 118.700 0.096 0.000 2.605 649 N HA 0.122 4.875 4.740 0.021 0.000 0.265 649 N C -1.682 173.885 175.510 0.095 0.000 1.625 649 N CA -0.191 52.903 53.050 0.074 0.000 0.862 649 N CB 0.344 38.859 38.487 0.046 0.000 1.415 649 N HN -0.095 nan 8.380 nan 0.000 0.513 650 E N 0.013 120.265 120.200 0.087 0.000 2.335 650 E HA 0.517 4.880 4.350 0.021 0.000 0.280 650 E C -1.408 175.220 176.600 0.047 0.000 0.918 650 E CA -0.671 55.768 56.400 0.064 0.000 0.765 650 E CB 2.133 31.826 29.700 -0.012 0.000 1.218 650 E HN 0.325 nan 8.360 nan 0.000 0.425 651 L N 0.399 121.654 121.223 0.054 0.000 2.401 651 L HA 0.761 5.114 4.340 0.021 0.000 0.266 651 L C -1.564 175.361 176.870 0.092 0.000 0.991 651 L CA -1.208 53.673 54.840 0.068 0.000 0.818 651 L CB 1.476 43.577 42.059 0.071 0.000 1.321 651 L HN 0.564 nan 8.230 nan 0.000 0.413 652 L N 2.677 123.974 121.223 0.124 0.000 2.282 652 L HA 0.556 4.909 4.340 0.021 0.000 0.288 652 L C -0.779 176.232 176.870 0.236 0.000 1.033 652 L CA 0.055 54.998 54.840 0.173 0.000 0.807 652 L CB 0.853 43.024 42.059 0.187 0.000 1.209 652 L HN 0.838 nan 8.230 nan 0.000 0.423 653 H N 5.686 124.817 119.070 0.102 0.000 2.458 653 H HA 0.546 5.115 4.556 0.021 0.000 0.330 653 H C -1.482 173.916 175.328 0.118 0.000 1.111 653 H CA -0.706 55.358 56.048 0.026 0.000 1.245 653 H CB 0.773 30.519 29.762 -0.026 0.000 1.456 653 H HN 0.700 nan 8.280 nan 0.000 0.488 654 W N 5.582 126.535 121.300 -0.578 0.000 2.950 654 W HA 0.557 5.230 4.660 0.021 0.000 0.340 654 W C -1.920 174.299 176.519 -0.500 0.000 1.139 654 W CA -1.461 55.633 57.345 -0.420 0.000 1.188 654 W CB 0.965 30.347 29.460 -0.130 0.000 1.426 654 W HN 0.744 nan 8.180 nan 0.000 0.531 655 M N 2.391 122.029 119.600 0.063 0.000 2.470 655 M HA 0.670 5.162 4.480 0.021 0.000 0.285 655 M C -2.486 173.973 176.300 0.264 0.000 1.213 655 M CA -0.708 54.619 55.300 0.046 0.000 0.901 655 M CB 1.928 34.422 32.600 -0.177 0.000 1.718 655 M HN 0.110 nan 8.290 nan 0.000 0.469 656 V N 2.779 122.847 119.914 0.257 0.000 2.417 656 V HA 1.018 5.151 4.120 0.021 0.000 0.291 656 V C -0.245 175.944 176.094 0.159 0.000 1.024 656 V CA -0.145 62.298 62.300 0.239 0.000 0.861 656 V CB 0.874 32.850 31.823 0.256 0.000 0.985 656 V HN 1.160 nan 8.190 nan 0.000 0.436 657 A N 4.413 127.340 122.820 0.179 0.000 2.515 657 A HA 0.850 5.183 4.320 0.021 0.000 0.298 657 A C -1.501 176.198 177.584 0.192 0.000 1.059 657 A CA -0.636 51.476 52.037 0.125 0.000 0.698 657 A CB 1.743 20.766 19.000 0.037 0.000 1.289 657 A HN 0.778 nan 8.150 nan 0.000 0.404 658 L N 1.819 123.121 121.223 0.130 0.000 2.255 658 L HA 0.433 4.785 4.340 0.021 0.000 0.289 658 L C -0.312 176.645 176.870 0.144 0.000 1.046 658 L CA 0.255 55.190 54.840 0.159 0.000 0.816 658 L CB -0.047 42.076 42.059 0.106 0.000 1.197 658 L HN 0.750 nan 8.230 nan 0.000 0.427 659 D N 5.056 125.618 120.400 0.270 0.000 2.720 659 D HA -0.229 4.424 4.640 0.021 0.000 0.229 659 D C 1.205 177.468 176.300 -0.063 0.000 1.198 659 D CA 1.385 55.495 54.000 0.183 0.000 0.639 659 D CB -0.866 40.051 40.800 0.195 0.000 1.003 659 D HN 1.146 nan 8.370 nan 0.000 0.411 660 G N -0.549 108.163 108.800 -0.147 0.000 2.179 660 G HA2 -0.371 3.602 3.960 0.021 0.000 0.260 660 G HA3 -0.371 3.602 3.960 0.021 0.000 0.260 660 G C 0.091 174.882 174.900 -0.182 0.000 0.977 660 G CA 0.593 45.517 45.100 -0.293 0.000 0.641 660 G HN 0.506 nan 8.290 nan 0.000 0.533 661 K N 1.700 122.054 120.400 -0.076 0.000 2.334 661 K HA 0.566 4.899 4.320 0.021 0.000 0.265 661 K C -2.636 173.952 176.600 -0.020 0.000 1.039 661 K CA -2.211 54.042 56.287 -0.055 0.000 0.920 661 K CB 1.912 34.394 32.500 -0.030 0.000 1.160 661 K HN 0.072 nan 8.250 nan 0.000 0.451 662 P HA -0.044 nan 4.420 nan 0.000 0.264 662 P C -0.206 177.100 177.300 0.010 0.000 1.193 662 P CA 0.148 63.240 63.100 -0.013 0.000 0.763 662 P CB 0.570 32.247 31.700 -0.038 0.000 0.810 663 L N 1.161 122.409 121.223 0.043 0.000 2.920 663 L HA 0.588 4.941 4.340 0.021 0.000 0.257 663 L C 0.683 177.596 176.870 0.070 0.000 1.150 663 L CA -0.047 54.825 54.840 0.053 0.000 0.959 663 L CB 0.348 42.448 42.059 0.069 0.000 1.321 663 L HN 0.376 nan 8.230 nan 0.000 0.555 664 A N 0.321 123.184 122.820 0.072 0.000 2.580 664 A HA 0.578 4.911 4.320 0.021 0.000 0.301 664 A C -0.759 176.754 177.584 -0.118 0.000 1.054 664 A CA -0.004 52.078 52.037 0.074 0.000 0.751 664 A CB 1.308 20.475 19.000 0.278 0.000 1.275 664 A HN 0.030 nan 8.150 nan 0.000 0.403 665 S N 0.777 116.218 115.700 -0.431 0.000 2.661 665 S HA 1.006 5.488 4.470 0.021 0.000 0.285 665 S C -0.136 173.674 174.600 -1.317 0.000 1.138 665 S CA 0.196 57.877 58.200 -0.865 0.000 0.855 665 S CB 1.734 64.772 63.200 -0.270 0.000 1.136 665 S HN 2.680 nan 8.310 nan 0.000 0.484 666 G N 0.350 108.269 108.800 -1.469 0.000 2.466 666 G HA2 0.570 4.543 3.960 0.021 0.000 0.291 666 G HA3 0.570 4.543 3.960 0.021 0.000 0.291 666 G C -2.402 172.259 174.900 -0.398 0.000 1.460 666 G CA -0.856 43.703 45.100 -0.900 0.000 0.791 666 G HN 0.851 nan 8.290 nan 0.000 0.505 667 E N -1.251 118.954 120.200 0.008 0.000 2.340 667 E HA 0.705 5.068 4.350 0.021 0.000 0.273 667 E C -1.052 175.672 176.600 0.207 0.000 0.891 667 E CA -1.106 55.377 56.400 0.138 0.000 0.757 667 E CB 3.135 32.889 29.700 0.090 0.000 1.231 667 E HN 0.594 nan 8.360 nan 0.000 0.439 668 V N 0.499 120.538 119.914 0.209 0.000 2.817 668 V HA 0.520 4.653 4.120 0.021 0.000 0.303 668 V C -2.693 173.484 176.094 0.139 0.000 1.151 668 V CA -2.025 60.384 62.300 0.182 0.000 0.929 668 V CB 1.903 33.857 31.823 0.217 0.000 1.030 668 V HN 0.621 nan 8.190 nan 0.000 0.427 669 P HA 0.469 nan 4.420 nan 0.000 0.296 669 P C -0.633 176.723 177.300 0.093 0.000 1.306 669 P CA -0.470 62.685 63.100 0.091 0.000 0.818 669 P CB 1.252 32.999 31.700 0.079 0.000 0.969 670 L N 3.180 124.449 121.223 0.077 0.000 2.418 670 L HA 0.144 4.496 4.340 0.021 0.000 0.274 670 L C 0.639 177.586 176.870 0.129 0.000 1.135 670 L CA 0.623 55.506 54.840 0.072 0.000 0.870 670 L CB 0.029 42.075 42.059 -0.022 0.000 1.154 670 L HN 0.337 nan 8.230 nan 0.000 0.462 671 D N 3.623 124.108 120.400 0.143 0.000 2.517 671 D HA 0.314 4.967 4.640 0.021 0.000 0.301 671 D C -1.043 175.329 176.300 0.119 0.000 1.202 671 D CA -0.141 54.005 54.000 0.243 0.000 0.910 671 D CB 0.756 41.682 40.800 0.210 0.000 1.021 671 D HN 0.066 nan 8.370 nan 0.000 0.499 672 V N 0.759 120.620 119.914 -0.089 0.000 2.487 672 V HA 0.868 5.001 4.120 0.021 0.000 0.298 672 V C 0.635 176.397 176.094 -0.554 0.000 1.028 672 V CA -1.304 60.896 62.300 -0.168 0.000 0.860 672 V CB 1.231 33.097 31.823 0.071 0.000 0.991 672 V HN 0.387 nan 8.190 nan 0.000 0.427 673 A N 5.797 128.410 122.820 -0.346 0.000 2.271 673 A HA 0.870 5.202 4.320 0.021 0.000 0.288 673 A C -2.560 174.973 177.584 -0.084 0.000 1.094 673 A CA -1.917 49.976 52.037 -0.241 0.000 0.828 673 A CB 0.135 19.125 19.000 -0.017 0.000 1.091 673 A HN 0.683 nan 8.150 nan 0.000 0.493 674 P HA 0.014 nan 4.420 nan 0.000 0.261 674 P C -0.491 176.780 177.300 -0.049 0.000 1.173 674 P CA 0.774 63.857 63.100 -0.029 0.000 0.760 674 P CB 0.227 31.899 31.700 -0.047 0.000 0.783 675 Q N -0.977 118.787 119.800 -0.060 0.000 2.468 675 Q HA -0.190 4.163 4.340 0.021 0.000 0.256 675 Q C 0.597 176.574 176.000 -0.039 0.000 0.984 675 Q CA 1.470 57.234 55.803 -0.065 0.000 1.110 675 Q CB -2.523 26.165 28.738 -0.085 0.000 1.527 675 Q HN 0.713 nan 8.270 nan 0.000 0.535 676 G N -0.139 108.646 108.800 -0.025 0.000 2.597 676 G HA2 0.613 4.586 3.960 0.021 0.000 0.317 676 G HA3 0.613 4.586 3.960 0.021 0.000 0.317 676 G C -0.340 174.564 174.900 0.007 0.000 1.230 676 G CA -0.795 44.300 45.100 -0.009 0.000 0.996 676 G HN -0.003 nan 8.290 nan 0.000 0.490 677 K N -0.584 119.827 120.400 0.017 0.000 2.258 677 K HA 0.588 4.920 4.320 0.021 0.000 0.236 677 K C -0.890 175.737 176.600 0.045 0.000 1.008 677 K CA -0.765 55.541 56.287 0.032 0.000 0.869 677 K CB 2.246 34.761 32.500 0.026 0.000 1.171 677 K HN 0.540 nan 8.250 nan 0.000 0.447 678 Q N 1.200 121.036 119.800 0.060 0.000 2.340 678 Q HA 0.409 4.762 4.340 0.021 0.000 0.276 678 Q C -1.765 174.274 176.000 0.064 0.000 1.048 678 Q CA -0.594 55.249 55.803 0.066 0.000 0.832 678 Q CB 1.729 30.517 28.738 0.083 0.000 1.373 678 Q HN 0.520 nan 8.270 nan 0.000 0.409 679 L N 4.300 125.552 121.223 0.049 0.000 2.331 679 L HA 0.640 4.993 4.340 0.021 0.000 0.275 679 L C -0.645 176.242 176.870 0.028 0.000 1.022 679 L CA -0.983 53.878 54.840 0.034 0.000 0.812 679 L CB 1.722 43.789 42.059 0.014 0.000 1.257 679 L HN 0.648 nan 8.230 nan 0.000 0.435 680 I N 2.317 122.891 120.570 0.008 0.000 2.503 680 I HA 0.202 4.385 4.170 0.021 0.000 0.282 680 I C -0.334 175.735 176.117 -0.079 0.000 1.059 680 I CA -0.283 61.009 61.300 -0.013 0.000 1.081 680 I CB 2.125 40.135 38.000 0.016 0.000 1.210 680 I HN 0.575 nan 8.210 nan 0.000 0.450 681 E N 7.409 127.562 120.200 -0.079 0.000 2.227 681 E HA 0.480 4.843 4.350 0.021 0.000 0.282 681 E C -1.415 175.081 176.600 -0.174 0.000 1.015 681 E CA -0.621 55.706 56.400 -0.121 0.000 0.823 681 E CB 1.345 30.992 29.700 -0.089 0.000 1.081 681 E HN 0.485 nan 8.360 nan 0.000 0.396 682 L N 6.024 127.090 121.223 -0.261 0.000 2.325 682 L HA 0.412 4.765 4.340 0.021 0.000 0.279 682 L C -1.966 174.763 176.870 -0.235 0.000 1.054 682 L CA -2.037 52.578 54.840 -0.375 0.000 0.804 682 L CB 0.893 42.579 42.059 -0.621 0.000 1.200 682 L HN 0.478 nan 8.230 nan 0.000 0.436 683 P HA -0.044 nan 4.420 nan 0.000 0.273 683 P C -0.476 176.769 177.300 -0.092 0.000 1.252 683 P CA -0.417 62.638 63.100 -0.075 0.000 0.809 683 P CB 0.264 31.971 31.700 0.012 0.000 1.017 684 E N 0.428 120.603 120.200 -0.042 0.000 2.435 684 E HA 0.029 4.392 4.350 0.021 0.000 0.256 684 E C -0.833 175.753 176.600 -0.024 0.000 1.245 684 E CA 0.029 56.404 56.400 -0.041 0.000 0.989 684 E CB 0.009 29.698 29.700 -0.019 0.000 0.983 684 E HN 0.305 nan 8.360 nan 0.000 0.480 685 L N 0.704 121.915 121.223 -0.019 0.000 2.625 685 L HA 0.310 4.662 4.340 0.021 0.000 0.255 685 L C -2.339 174.547 176.870 0.026 0.000 1.493 685 L CA -1.835 53.015 54.840 0.016 0.000 0.796 685 L CB 0.703 42.762 42.059 0.000 0.000 1.064 685 L HN 0.436 nan 8.230 nan 0.000 0.516 686 P HA -0.242 nan 4.420 nan 0.000 0.268 686 P C -0.355 176.959 177.300 0.023 0.000 1.117 686 P CA 0.555 63.671 63.100 0.028 0.000 0.747 686 P CB 0.491 32.215 31.700 0.040 0.000 0.700 687 Q N 3.288 123.098 119.800 0.015 0.000 2.392 687 Q HA 0.305 4.658 4.340 0.021 0.000 0.262 687 Q C -1.732 174.280 176.000 0.021 0.000 1.003 687 Q CA -0.744 55.067 55.803 0.014 0.000 0.888 687 Q CB -0.478 28.264 28.738 0.007 0.000 1.260 687 Q HN 0.395 nan 8.270 nan 0.000 0.435 688 P HA 0.125 nan 4.420 nan 0.000 0.286 688 P C -0.546 176.769 177.300 0.026 0.000 1.269 688 P CA -0.177 62.941 63.100 0.030 0.000 0.787 688 P CB 1.064 32.785 31.700 0.035 0.000 0.920 689 E N 0.902 121.118 120.200 0.027 0.000 2.118 689 E HA -0.116 4.246 4.350 0.021 0.000 0.195 689 E C 0.805 177.421 176.600 0.026 0.000 0.992 689 E CA 1.478 57.893 56.400 0.024 0.000 0.804 689 E CB 0.088 29.802 29.700 0.023 0.000 0.741 689 E HN 0.542 nan 8.360 nan 0.000 0.458 690 S N -0.196 115.523 115.700 0.032 0.000 4.213 690 S HA 0.683 5.165 4.470 0.021 0.000 0.205 690 S C 0.023 174.646 174.600 0.038 0.000 1.008 690 S CA -0.514 57.708 58.200 0.035 0.000 1.742 690 S CB 0.704 63.929 63.200 0.041 0.000 0.754 690 S HN 0.222 nan 8.310 nan 0.000 0.715 691 A N -1.043 121.805 122.820 0.048 0.000 2.587 691 A HA 0.888 5.221 4.320 0.021 0.000 0.293 691 A C 0.017 177.644 177.584 0.073 0.000 1.087 691 A CA -0.171 51.898 52.037 0.053 0.000 0.692 691 A CB 0.987 20.018 19.000 0.051 0.000 1.291 691 A HN 2.000 nan 8.150 nan 0.000 0.407 692 G N -0.316 108.532 108.800 0.079 0.000 2.270 692 G HA2 0.290 4.263 3.960 0.021 0.000 0.268 692 G HA3 0.290 4.263 3.960 0.021 0.000 0.268 692 G C -1.241 173.731 174.900 0.120 0.000 1.312 692 G CA -0.578 44.592 45.100 0.116 0.000 1.050 692 G HN 0.890 nan 8.290 nan 0.000 0.474 693 Q N 0.337 120.263 119.800 0.210 0.000 2.372 693 Q HA 0.547 4.900 4.340 0.021 0.000 0.259 693 Q C -0.122 176.049 176.000 0.284 0.000 0.993 693 Q CA -0.511 55.419 55.803 0.212 0.000 0.854 693 Q CB 1.683 30.701 28.738 0.466 0.000 1.231 693 Q HN 0.463 nan 8.270 nan 0.000 0.462 694 L N 3.603 124.847 121.223 0.036 0.000 2.319 694 L HA 0.265 4.618 4.340 0.021 0.000 0.280 694 L C -1.081 175.719 176.870 -0.117 0.000 1.099 694 L CA 0.112 54.987 54.840 0.059 0.000 0.828 694 L CB 0.348 42.405 42.059 -0.003 0.000 1.150 694 L HN 0.633 nan 8.230 nan 0.000 0.442 695 W N 5.192 126.580 121.300 0.147 0.000 2.736 695 W HA 0.506 5.179 4.660 0.021 0.000 0.335 695 W C -0.658 175.968 176.519 0.177 0.000 1.059 695 W CA -0.564 56.891 57.345 0.184 0.000 1.226 695 W CB 1.684 31.293 29.460 0.249 0.000 1.416 695 W HN 0.176 nan 8.180 nan 0.000 0.505 696 L N 2.482 123.966 121.223 0.434 0.000 2.346 696 L HA 0.880 5.233 4.340 0.021 0.000 0.276 696 L C -0.555 176.607 176.870 0.487 0.000 1.006 696 L CA -0.010 55.062 54.840 0.387 0.000 0.817 696 L CB 1.991 44.207 42.059 0.262 0.000 1.272 696 L HN 0.346 nan 8.230 nan 0.000 0.421 697 T N 4.408 119.190 114.554 0.379 0.000 2.916 697 T HA 0.680 5.043 4.350 0.021 0.000 0.298 697 T C -1.042 173.800 174.700 0.237 0.000 1.031 697 T CA -0.360 61.920 62.100 0.301 0.000 0.993 697 T CB 1.683 70.672 68.868 0.202 0.000 1.045 697 T HN 0.718 nan 8.240 nan 0.000 0.454 698 V N 1.198 121.221 119.914 0.182 0.000 2.914 698 V HA 0.890 5.023 4.120 0.021 0.000 0.314 698 V C -0.923 175.192 176.094 0.035 0.000 1.084 698 V CA -1.084 61.269 62.300 0.089 0.000 0.963 698 V CB 2.204 34.072 31.823 0.076 0.000 1.025 698 V HN 0.851 nan 8.190 nan 0.000 0.432 699 R N 1.698 122.252 120.500 0.091 0.000 2.651 699 R HA 0.765 5.118 4.340 0.021 0.000 0.278 699 R C -1.748 174.671 176.300 0.199 0.000 1.010 699 R CA -0.686 55.534 56.100 0.201 0.000 0.896 699 R CB 2.721 33.159 30.300 0.231 0.000 1.211 699 R HN 0.734 nan 8.270 nan 0.000 0.456 700 V N 3.483 123.552 119.914 0.259 0.000 2.427 700 V HA 0.428 4.561 4.120 0.021 0.000 0.286 700 V C -0.198 176.010 176.094 0.191 0.000 1.034 700 V CA -0.660 61.761 62.300 0.202 0.000 0.893 700 V CB 1.675 33.581 31.823 0.139 0.000 0.982 700 V HN 0.428 nan 8.190 nan 0.000 0.452 701 V N 3.915 123.912 119.914 0.140 0.000 2.555 701 V HA 0.462 4.595 4.120 0.021 0.000 0.302 701 V C -0.357 175.810 176.094 0.122 0.000 1.038 701 V CA -0.833 61.539 62.300 0.120 0.000 0.887 701 V CB 1.621 33.492 31.823 0.080 0.000 0.991 701 V HN 0.883 nan 8.190 nan 0.000 0.434 702 Q N 5.221 125.110 119.800 0.148 0.000 2.421 702 Q HA 0.283 4.636 4.340 0.021 0.000 0.242 702 Q C -1.631 174.412 176.000 0.071 0.000 1.024 702 Q CA -1.780 54.099 55.803 0.128 0.000 0.891 702 Q CB 1.922 30.753 28.738 0.155 0.000 1.222 702 Q HN 0.557 nan 8.270 nan 0.000 0.483 703 P HA -0.182 nan 4.420 nan 0.000 0.216 703 P C -0.563 176.740 177.300 0.004 0.000 1.153 703 P CA 1.089 64.203 63.100 0.023 0.000 0.844 703 P CB 0.321 32.033 31.700 0.020 0.000 0.787 704 N N -0.234 118.464 118.700 -0.003 0.000 2.530 704 N HA 0.375 5.128 4.740 0.021 0.000 0.277 704 N C -0.080 175.388 175.510 -0.071 0.000 1.168 704 N CA -0.607 52.425 53.050 -0.030 0.000 0.979 704 N CB 0.576 39.047 38.487 -0.027 0.000 1.141 704 N HN 0.032 nan 8.380 nan 0.000 0.459 705 A N 0.620 123.389 122.820 -0.086 0.000 2.302 705 A HA 0.504 4.837 4.320 0.021 0.000 0.285 705 A C 0.539 178.006 177.584 -0.195 0.000 1.105 705 A CA -0.375 51.577 52.037 -0.142 0.000 0.816 705 A CB 0.325 19.265 19.000 -0.101 0.000 1.067 705 A HN 0.698 nan 8.150 nan 0.000 0.489 706 T N -2.305 112.043 114.554 -0.344 0.000 2.804 706 T HA 0.627 4.990 4.350 0.021 0.000 0.272 706 T C 1.043 175.563 174.700 -0.301 0.000 0.986 706 T CA 0.111 61.969 62.100 -0.403 0.000 0.999 706 T CB 1.084 69.398 68.868 -0.924 0.000 1.307 706 T HN 1.213 nan 8.240 nan 0.000 0.586 707 A N -0.319 122.395 122.820 -0.176 0.000 2.067 707 A HA 0.169 4.502 4.320 0.021 0.000 0.217 707 A C 1.698 179.394 177.584 0.186 0.000 1.156 707 A CA 0.840 52.920 52.037 0.073 0.000 0.683 707 A CB -0.744 18.396 19.000 0.233 0.000 0.808 707 A HN 0.923 nan 8.150 nan 0.000 0.455 708 W N -0.735 120.637 121.300 0.121 0.000 2.714 708 W HA 0.391 5.064 4.660 0.023 0.000 0.353 708 W C -0.058 176.440 176.519 -0.035 0.000 0.999 708 W CA 0.522 57.901 57.345 0.056 0.000 1.629 708 W CB -0.935 28.558 29.460 0.054 0.000 1.106 708 W HN 0.373 nan 8.180 nan 0.000 0.545 709 S N 0.665 115.815 115.700 -0.916 0.000 2.548 709 S HA 0.504 4.987 4.470 0.021 0.000 0.286 709 S C -0.577 173.778 174.600 -0.409 0.000 1.098 709 S CA -0.421 57.305 58.200 -0.789 0.000 0.930 709 S CB 3.091 65.475 63.200 -1.359 0.000 1.070 709 S HN -0.056 nan 8.310 nan 0.000 0.480 710 E N 0.875 120.944 120.200 -0.218 0.000 2.322 710 E HA 0.650 5.012 4.350 0.021 0.000 0.257 710 E C 0.136 176.697 176.600 -0.064 0.000 1.155 710 E CA -0.750 55.594 56.400 -0.093 0.000 0.936 710 E CB 1.383 31.077 29.700 -0.010 0.000 1.130 710 E HN 0.931 nan 8.360 nan 0.000 0.465 711 A N -0.270 122.532 122.820 -0.030 0.000 2.440 711 A HA 0.474 4.807 4.320 0.021 0.000 0.251 711 A C 0.853 178.456 177.584 0.032 0.000 1.089 711 A CA 0.486 52.517 52.037 -0.011 0.000 0.779 711 A CB -0.324 18.666 19.000 -0.018 0.000 1.022 711 A HN 0.734 nan 8.150 nan 0.000 0.492 712 G N 1.307 110.135 108.800 0.047 0.000 2.246 712 G HA2 -0.239 3.733 3.960 0.021 0.000 0.273 712 G HA3 -0.239 3.733 3.960 0.021 0.000 0.273 712 G C 0.053 175.013 174.900 0.101 0.000 1.055 712 G CA 0.791 45.926 45.100 0.059 0.000 0.851 712 G HN 1.765 nan 8.290 nan 0.000 0.500 713 H N -0.550 118.541 119.070 0.036 0.000 2.652 713 H HA 0.570 5.139 4.556 0.021 0.000 0.349 713 H C 0.582 175.999 175.328 0.148 0.000 1.099 713 H CA -0.485 55.612 56.048 0.082 0.000 1.417 713 H CB 0.463 30.265 29.762 0.067 0.000 1.457 713 H HN 0.212 nan 8.280 nan 0.000 0.568 714 I N 4.023 124.312 120.570 -0.469 0.000 2.342 714 I HA 0.066 4.249 4.170 0.021 0.000 0.291 714 I C 0.791 176.771 176.117 -0.229 0.000 1.010 714 I CA 0.231 61.417 61.300 -0.189 0.000 1.308 714 I CB 1.718 39.710 38.000 -0.014 0.000 1.400 714 I HN 0.818 nan 8.210 nan 0.000 0.488 715 S N 3.784 119.593 115.700 0.182 0.000 2.540 715 S HA 0.699 5.181 4.470 0.021 0.000 0.222 715 S C 0.348 175.217 174.600 0.449 0.000 1.008 715 S CA 0.009 58.447 58.200 0.396 0.000 0.939 715 S CB 0.536 64.075 63.200 0.565 0.000 0.865 715 S HN 0.714 nan 8.310 nan 0.000 0.499 716 A N 0.676 123.792 122.820 0.494 0.000 2.605 716 A HA 0.698 5.031 4.320 0.021 0.000 0.294 716 A C -1.804 176.085 177.584 0.508 0.000 1.062 716 A CA -0.759 51.516 52.037 0.396 0.000 0.682 716 A CB 0.485 19.825 19.000 0.566 0.000 1.278 716 A HN 1.019 nan 8.150 nan 0.000 0.410 717 W N -0.198 121.255 121.300 0.255 0.000 2.982 717 W HA 0.762 5.436 4.660 0.022 0.000 0.344 717 W C -1.428 175.079 176.519 -0.020 0.000 1.215 717 W CA -0.424 56.943 57.345 0.038 0.000 1.182 717 W CB 0.836 30.318 29.460 0.036 0.000 1.437 717 W HN 1.223 nan 8.180 nan 0.000 0.570 718 Q N 1.125 120.936 119.800 0.019 0.000 2.666 718 Q HA 0.403 4.756 4.340 0.021 0.000 0.276 718 Q C -1.799 174.055 176.000 -0.243 0.000 0.952 718 Q CA -0.425 55.236 55.803 -0.236 0.000 0.850 718 Q CB 2.064 30.475 28.738 -0.545 0.000 1.512 718 Q HN 0.640 nan 8.270 nan 0.000 0.395 719 Q N 1.379 120.998 119.800 -0.301 0.000 2.451 719 Q HA 0.699 5.052 4.340 0.021 0.000 0.281 719 Q C -1.334 174.636 176.000 -0.049 0.000 1.099 719 Q CA -0.668 55.157 55.803 0.038 0.000 0.806 719 Q CB 2.229 31.126 28.738 0.266 0.000 1.419 719 Q HN 0.682 nan 8.270 nan 0.000 0.427 720 W N 1.812 123.289 121.300 0.295 0.000 3.544 720 W HA 0.271 4.944 4.660 0.021 0.000 0.326 720 W C -0.579 175.907 176.519 -0.056 0.000 1.137 720 W CA -0.630 56.795 57.345 0.133 0.000 1.252 720 W CB 1.320 30.812 29.460 0.053 0.000 1.302 720 W HN 0.504 nan 8.180 nan 0.000 0.467 721 R N 3.050 123.383 120.500 -0.279 0.000 2.351 721 R HA 0.191 4.543 4.340 0.021 0.000 0.318 721 R C 0.331 176.369 176.300 -0.437 0.000 1.055 721 R CA 0.168 55.623 56.100 -1.074 0.000 0.968 721 R CB 0.589 29.956 30.300 -1.556 0.000 0.974 721 R HN 0.655 nan 8.270 nan 0.000 0.439 722 L N 3.463 124.484 121.223 -0.335 0.000 2.056 722 L HA 0.204 4.557 4.340 0.021 0.000 0.202 722 L C 0.934 177.695 176.870 -0.182 0.000 1.086 722 L CA 1.159 55.888 54.840 -0.185 0.000 0.758 722 L CB -0.221 41.767 42.059 -0.118 0.000 0.912 722 L HN 0.699 nan 8.230 nan 0.000 0.446 723 A N -0.701 122.009 122.820 -0.183 0.000 2.486 723 A HA 0.671 5.004 4.320 0.021 0.000 0.289 723 A C -1.242 176.266 177.584 -0.127 0.000 1.176 723 A CA -0.323 51.637 52.037 -0.128 0.000 0.757 723 A CB 1.813 20.768 19.000 -0.075 0.000 1.337 723 A HN 0.162 nan 8.150 nan 0.000 0.423 724 E N 0.821 120.978 120.200 -0.072 0.000 2.343 724 E HA 0.252 4.615 4.350 0.021 0.000 0.288 724 E C -1.853 174.742 176.600 -0.007 0.000 0.907 724 E CA -0.609 55.769 56.400 -0.037 0.000 0.792 724 E CB 1.090 30.763 29.700 -0.045 0.000 1.275 724 E HN 0.556 nan 8.360 nan 0.000 0.402 725 N N 5.601 124.310 118.700 0.014 0.000 2.699 725 N HA 0.256 5.009 4.740 0.021 0.000 0.232 725 N C -0.226 175.304 175.510 0.034 0.000 1.027 725 N CA -0.269 52.794 53.050 0.022 0.000 0.920 725 N CB 0.928 39.429 38.487 0.024 0.000 1.148 725 N HN 0.563 nan 8.380 nan 0.000 0.509 726 L N 1.112 122.353 121.223 0.030 0.000 2.525 726 L HA -0.032 4.321 4.340 0.021 0.000 0.278 726 L C 1.206 178.099 176.870 0.039 0.000 1.218 726 L CA 0.355 55.218 54.840 0.038 0.000 0.878 726 L CB 0.374 42.451 42.059 0.030 0.000 1.127 726 L HN 0.386 nan 8.230 nan 0.000 0.492 727 S N 3.222 118.950 115.700 0.047 0.000 2.416 727 S HA 0.255 4.738 4.470 0.021 0.000 0.287 727 S C 0.265 174.888 174.600 0.039 0.000 1.139 727 S CA -0.926 57.301 58.200 0.045 0.000 1.058 727 S CB 0.998 64.230 63.200 0.053 0.000 0.967 727 S HN 0.464 nan 8.310 nan 0.000 0.495 728 V N 2.663 122.595 119.914 0.031 0.000 3.110 728 V HA 0.422 4.555 4.120 0.021 0.000 0.368 728 V C 0.296 176.403 176.094 0.023 0.000 1.332 728 V CA -0.031 62.285 62.300 0.025 0.000 1.287 728 V CB -1.096 30.739 31.823 0.020 0.000 1.277 728 V HN 0.896 nan 8.190 nan 0.000 0.502 729 T N 0.398 114.968 114.554 0.027 0.000 2.797 729 T HA 0.792 5.155 4.350 0.021 0.000 0.279 729 T C -0.522 174.193 174.700 0.024 0.000 0.991 729 T CA -0.724 61.390 62.100 0.024 0.000 0.979 729 T CB 1.813 70.695 68.868 0.024 0.000 0.943 729 T HN 0.392 nan 8.240 nan 0.000 0.444 730 L N 2.115 123.348 121.223 0.017 0.000 2.334 730 L HA 0.641 4.994 4.340 0.021 0.000 0.277 730 L C -2.076 174.801 176.870 0.012 0.000 1.075 730 L CA -2.068 52.780 54.840 0.014 0.000 0.804 730 L CB -1.009 41.054 42.059 0.006 0.000 1.174 730 L HN 0.421 nan 8.230 nan 0.000 0.438 731 P HA 0.204 nan 4.420 nan 0.000 0.264 731 P C -0.480 176.816 177.300 -0.006 0.000 1.193 731 P CA -0.281 62.826 63.100 0.013 0.000 0.763 731 P CB 0.574 32.284 31.700 0.016 0.000 0.810 732 A N 3.503 126.319 122.820 -0.005 0.000 2.526 732 A HA 0.407 4.740 4.320 0.021 0.000 0.267 732 A C 1.042 178.573 177.584 -0.088 0.000 1.095 732 A CA 0.078 52.089 52.037 -0.044 0.000 0.775 732 A CB -0.905 18.081 19.000 -0.023 0.000 1.036 732 A HN 0.818 nan 8.150 nan 0.000 0.510 733 A N 3.684 126.434 122.820 -0.116 0.000 2.655 733 A HA 0.250 4.583 4.320 0.021 0.000 0.226 733 A C 0.964 178.449 177.584 -0.165 0.000 1.081 733 A CA 0.905 52.866 52.037 -0.127 0.000 0.802 733 A CB -0.411 18.509 19.000 -0.134 0.000 0.973 733 A HN 1.686 nan 8.150 nan 0.000 0.501 734 S N 1.104 116.766 115.700 -0.064 0.000 2.474 734 S HA 0.345 4.828 4.470 0.021 0.000 0.276 734 S C 0.340 174.978 174.600 0.063 0.000 1.227 734 S CA -0.194 58.027 58.200 0.035 0.000 1.050 734 S CB 0.164 63.383 63.200 0.031 0.000 0.939 734 S HN 0.740 nan 8.310 nan 0.000 0.490 735 H N 0.852 119.924 119.070 0.003 0.000 2.610 735 H HA 0.583 5.152 4.556 0.021 0.000 0.302 735 H C 0.286 175.620 175.328 0.010 0.000 1.063 735 H CA -0.467 55.585 56.048 0.007 0.000 1.159 735 H CB -0.165 29.604 29.762 0.011 0.000 1.427 735 H HN 0.724 nan 8.280 nan 0.000 0.553 736 A N 1.536 124.434 122.820 0.130 0.000 2.583 736 A HA 0.383 4.716 4.320 0.021 0.000 0.298 736 A C -1.573 176.010 177.584 -0.002 0.000 1.055 736 A CA -0.823 51.252 52.037 0.063 0.000 0.714 736 A CB 1.026 20.063 19.000 0.062 0.000 1.277 736 A HN 0.292 nan 8.150 nan 0.000 0.406 737 I N 2.737 123.262 120.570 -0.074 0.000 2.377 737 I HA 0.736 4.919 4.170 0.021 0.000 0.293 737 I C -2.477 173.390 176.117 -0.418 0.000 0.987 737 I CA -2.174 59.013 61.300 -0.189 0.000 1.185 737 I CB 1.953 39.859 38.000 -0.157 0.000 1.341 737 I HN 0.383 nan 8.210 nan 0.000 0.455 738 P HA 0.229 nan 4.420 nan 0.000 0.271 738 P C -1.594 175.451 177.300 -0.425 0.000 1.218 738 P CA 0.105 63.044 63.100 -0.268 0.000 0.780 738 P CB 0.258 31.882 31.700 -0.127 0.000 0.901 739 H N 0.715 119.816 119.070 0.051 0.000 2.476 739 H HA 0.474 5.043 4.556 0.021 0.000 0.328 739 H C -0.321 175.030 175.328 0.037 0.000 1.073 739 H CA -0.865 55.202 56.048 0.033 0.000 1.229 739 H CB 0.933 30.714 29.762 0.032 0.000 1.432 739 H HN 0.250 nan 8.280 nan 0.000 0.477 740 L N 2.891 124.175 121.223 0.102 0.000 2.264 740 L HA 0.442 4.794 4.340 0.021 0.000 0.289 740 L C -0.540 176.382 176.870 0.087 0.000 1.044 740 L CA 0.116 54.989 54.840 0.056 0.000 0.807 740 L CB 1.177 43.203 42.059 -0.055 0.000 1.192 740 L HN 0.580 nan 8.230 nan 0.000 0.425 741 T N 4.097 118.722 114.554 0.120 0.000 2.791 741 T HA 0.460 4.823 4.350 0.021 0.000 0.288 741 T C -0.044 174.764 174.700 0.180 0.000 0.999 741 T CA -0.290 61.883 62.100 0.121 0.000 0.952 741 T CB 0.831 69.756 68.868 0.095 0.000 0.938 741 T HN 0.762 nan 8.240 nan 0.000 0.444 742 T N 2.486 117.148 114.554 0.182 0.000 2.874 742 T HA 0.662 5.025 4.350 0.021 0.000 0.281 742 T C 0.492 175.274 174.700 0.137 0.000 0.994 742 T CA -0.581 61.677 62.100 0.262 0.000 1.015 742 T CB 1.493 70.522 68.868 0.268 0.000 1.028 742 T HN 0.609 nan 8.240 nan 0.000 0.523 743 S N -0.595 115.157 115.700 0.086 0.000 3.341 743 S HA 0.398 4.881 4.470 0.021 0.000 0.326 743 S C -0.353 174.221 174.600 -0.042 0.000 1.178 743 S CA -0.605 57.606 58.200 0.017 0.000 1.002 743 S CB 0.982 64.189 63.200 0.011 0.000 1.385 743 S HN 0.609 nan 8.310 nan 0.000 0.710 744 E N -0.374 119.788 120.200 -0.063 0.000 2.500 744 E HA 0.188 4.551 4.350 0.021 0.000 0.217 744 E C 1.090 177.622 176.600 -0.114 0.000 0.848 744 E CA 0.010 56.358 56.400 -0.087 0.000 1.217 744 E CB 0.263 29.938 29.700 -0.042 0.000 1.217 744 E HN 0.412 nan 8.360 nan 0.000 0.573 745 M N 1.258 120.808 119.600 -0.084 0.000 2.394 745 M HA 0.051 4.543 4.480 0.021 0.000 0.266 745 M C -0.300 175.947 176.300 -0.088 0.000 1.098 745 M CA 1.131 56.394 55.300 -0.062 0.000 1.149 745 M CB -0.449 32.141 32.600 -0.016 0.000 1.369 745 M HN -0.008 nan 8.290 nan 0.000 0.450 746 D N -2.395 117.926 120.400 -0.130 0.000 2.742 746 D HA 0.233 4.885 4.640 0.021 0.000 0.262 746 D C -1.292 174.931 176.300 -0.129 0.000 1.240 746 D CA -0.531 53.391 54.000 -0.130 0.000 0.752 746 D CB 0.227 41.057 40.800 0.050 0.000 1.290 746 D HN -0.056 nan 8.370 nan 0.000 0.420 747 F N -0.278 119.745 119.950 0.123 0.000 2.408 747 F HA 0.498 5.038 4.527 0.021 0.000 0.344 747 F C 0.299 176.184 175.800 0.142 0.000 1.112 747 F CA -0.831 57.218 58.000 0.081 0.000 1.096 747 F CB 1.492 40.496 39.000 0.006 0.000 1.129 747 F HN 0.271 nan 8.300 nan 0.000 0.486 748 C N 5.848 125.359 119.300 0.352 0.000 2.345 748 C HA 0.744 5.217 4.460 0.021 0.000 0.323 748 C C -0.424 174.714 174.990 0.248 0.000 1.276 748 C CA -0.651 58.538 59.018 0.285 0.000 1.543 748 C CB -0.194 27.664 27.740 0.196 0.000 2.211 748 C HN 0.641 nan 8.230 nan 0.000 0.493 749 I N 4.271 125.047 120.570 0.343 0.000 2.509 749 I HA 0.580 4.763 4.170 0.021 0.000 0.293 749 I C -0.166 176.256 176.117 0.508 0.000 1.020 749 I CA 0.066 61.578 61.300 0.354 0.000 1.088 749 I CB 1.647 39.798 38.000 0.251 0.000 1.267 749 I HN 0.616 nan 8.210 nan 0.000 0.430 750 E N 5.255 125.695 120.200 0.399 0.000 2.331 750 E HA 0.712 5.075 4.350 0.021 0.000 0.275 750 E C -1.881 174.928 176.600 0.349 0.000 0.895 750 E CA -0.807 55.792 56.400 0.333 0.000 0.753 750 E CB 2.644 32.444 29.700 0.168 0.000 1.216 750 E HN 0.508 nan 8.360 nan 0.000 0.434 751 L N 4.192 125.604 121.223 0.315 0.000 2.666 751 L HA 0.495 4.848 4.340 0.021 0.000 0.258 751 L C -0.115 176.845 176.870 0.151 0.000 0.991 751 L CA 0.840 55.834 54.840 0.256 0.000 0.916 751 L CB 1.014 43.259 42.059 0.311 0.000 1.199 751 L HN 0.809 nan 8.230 nan 0.000 0.439 752 G N 3.767 112.628 108.800 0.102 0.000 2.498 752 G HA2 -0.360 3.612 3.960 0.021 0.000 0.251 752 G HA3 -0.360 3.612 3.960 0.021 0.000 0.251 752 G C 0.482 175.381 174.900 -0.002 0.000 1.170 752 G CA 0.394 45.520 45.100 0.043 0.000 0.944 752 G HN 1.002 nan 8.290 nan 0.000 0.567 753 N N 1.108 119.792 118.700 -0.027 0.000 2.446 753 N HA 0.057 4.810 4.740 0.021 0.000 0.179 753 N C 0.651 176.102 175.510 -0.099 0.000 1.054 753 N CA 1.212 54.227 53.050 -0.059 0.000 0.905 753 N CB -0.008 38.450 38.487 -0.048 0.000 0.973 753 N HN 0.787 nan 8.380 nan 0.000 0.448 754 K N 1.140 121.460 120.400 -0.132 0.000 2.205 754 K HA 0.295 4.628 4.320 0.021 0.000 0.279 754 K C 0.214 176.509 176.600 -0.507 0.000 1.027 754 K CA -0.604 55.477 56.287 -0.344 0.000 0.932 754 K CB 1.462 33.742 32.500 -0.367 0.000 1.032 754 K HN 0.152 nan 8.250 nan 0.000 0.466 755 R N 2.733 122.803 120.500 -0.716 0.000 2.643 755 R HA 0.301 4.654 4.340 0.021 0.000 0.269 755 R C -1.884 174.081 176.300 -0.558 0.000 1.037 755 R CA -0.644 55.145 56.100 -0.519 0.000 0.894 755 R CB 1.104 31.341 30.300 -0.106 0.000 1.238 755 R HN 0.652 nan 8.270 nan 0.000 0.459 756 W N 3.222 124.665 121.300 0.238 0.000 2.471 756 W HA 0.340 5.013 4.660 0.021 0.000 0.318 756 W C -0.226 176.504 176.519 0.352 0.000 1.034 756 W CA -0.629 56.867 57.345 0.251 0.000 1.224 756 W CB 1.919 31.582 29.460 0.339 0.000 1.335 756 W HN 0.520 nan 8.180 nan 0.000 0.452 757 Q N 3.564 123.627 119.800 0.438 0.000 2.368 757 Q HA 0.331 4.684 4.340 0.021 0.000 0.263 757 Q C -1.762 174.398 176.000 0.268 0.000 1.009 757 Q CA -0.448 55.596 55.803 0.401 0.000 0.818 757 Q CB 0.855 29.811 28.738 0.363 0.000 1.239 757 Q HN 0.269 nan 8.270 nan 0.000 0.464 758 F N 2.913 122.965 119.950 0.170 0.000 2.411 758 F HA 0.297 4.836 4.527 0.021 0.000 0.352 758 F C 0.713 176.561 175.800 0.079 0.000 1.123 758 F CA -1.132 56.939 58.000 0.119 0.000 1.044 758 F CB 0.993 40.070 39.000 0.127 0.000 1.135 758 F HN 0.468 nan 8.300 nan 0.000 0.461 759 N N 3.727 122.539 118.700 0.187 0.000 2.442 759 N HA 0.047 4.800 4.740 0.021 0.000 0.265 759 N C 0.985 176.524 175.510 0.048 0.000 1.138 759 N CA -0.075 53.036 53.050 0.101 0.000 0.956 759 N CB 0.786 39.339 38.487 0.109 0.000 1.067 759 N HN 0.684 nan 8.380 nan 0.000 0.474 760 R N 2.515 122.959 120.500 -0.093 0.000 2.276 760 R HA -0.023 4.330 4.340 0.021 0.000 0.203 760 R C 0.940 177.189 176.300 -0.084 0.000 1.017 760 R CA 0.538 56.535 56.100 -0.171 0.000 1.010 760 R CB 0.131 30.171 30.300 -0.434 0.000 0.900 760 R HN 0.479 nan 8.270 nan 0.000 0.469 761 Q N 0.924 120.703 119.800 -0.035 0.000 2.165 761 Q HA -0.014 4.339 4.340 0.021 0.000 0.197 761 Q C 2.183 178.198 176.000 0.026 0.000 0.952 761 Q CA 1.873 57.671 55.803 -0.008 0.000 0.848 761 Q CB 0.382 29.127 28.738 0.012 0.000 0.931 761 Q HN 0.387 nan 8.270 nan 0.000 0.470 762 S N -2.202 113.546 115.700 0.080 0.000 2.468 762 S HA 0.223 4.706 4.470 0.021 0.000 0.226 762 S C 1.500 176.170 174.600 0.117 0.000 1.051 762 S CA 0.662 58.969 58.200 0.178 0.000 0.943 762 S CB 0.372 63.766 63.200 0.323 0.000 0.810 762 S HN 0.455 nan 8.310 nan 0.000 0.509 763 G N 0.462 109.298 108.800 0.060 0.000 2.136 763 G HA2 -0.197 3.776 3.960 0.021 0.000 0.242 763 G HA3 -0.197 3.776 3.960 0.021 0.000 0.242 763 G C -0.117 174.756 174.900 -0.046 0.000 0.989 763 G CA 0.319 45.421 45.100 0.003 0.000 0.682 763 G HN 0.527 nan 8.290 nan 0.000 0.522 764 F N -1.302 118.781 119.950 0.222 0.000 2.575 764 F HA 0.694 5.233 4.527 0.021 0.000 0.330 764 F C 0.412 176.121 175.800 -0.152 0.000 1.056 764 F CA -1.506 56.548 58.000 0.090 0.000 0.964 764 F CB 1.314 40.357 39.000 0.072 0.000 1.258 764 F HN -0.043 nan 8.300 nan 0.000 0.484 765 L N 2.114 123.248 121.223 -0.149 0.000 2.515 765 L HA 0.175 4.528 4.340 0.021 0.000 0.281 765 L C 0.888 177.630 176.870 -0.213 0.000 1.131 765 L CA 0.319 54.801 54.840 -0.597 0.000 0.905 765 L CB -0.452 41.306 42.059 -0.501 0.000 1.246 765 L HN 0.701 nan 8.230 nan 0.000 0.463 766 S N 2.864 118.469 115.700 -0.158 0.000 2.388 766 S HA 0.097 4.580 4.470 0.021 0.000 0.223 766 S C 0.697 175.214 174.600 -0.139 0.000 1.034 766 S CA 0.162 58.320 58.200 -0.070 0.000 0.963 766 S CB 0.033 63.236 63.200 0.004 0.000 0.827 766 S HN 0.630 nan 8.310 nan 0.000 0.481 767 Q N -0.113 119.584 119.800 -0.172 0.000 2.511 767 Q HA 0.743 5.096 4.340 0.021 0.000 0.289 767 Q C -1.554 174.223 176.000 -0.372 0.000 1.021 767 Q CA -0.594 55.011 55.803 -0.329 0.000 0.785 767 Q CB 2.160 30.631 28.738 -0.446 0.000 1.472 767 Q HN 0.409 nan 8.270 nan 0.000 0.411 768 M N 1.357 120.561 119.600 -0.661 0.000 2.322 768 M HA 0.687 5.180 4.480 0.021 0.000 0.286 768 M C -2.114 173.764 176.300 -0.703 0.000 1.111 768 M CA -0.123 54.835 55.300 -0.569 0.000 0.941 768 M CB 1.595 33.906 32.600 -0.481 0.000 1.671 768 M HN 0.540 nan 8.290 nan 0.000 0.470 769 W N 4.935 126.028 121.300 -0.344 0.000 2.844 769 W HA 0.646 5.319 4.660 0.021 0.000 0.340 769 W C -1.422 174.900 176.519 -0.328 0.000 1.093 769 W CA -0.939 56.249 57.345 -0.262 0.000 1.212 769 W CB 1.783 31.122 29.460 -0.202 0.000 1.422 769 W HN 0.502 nan 8.180 nan 0.000 0.515 770 I N 2.154 122.749 120.570 0.042 0.000 2.410 770 I HA 0.468 4.651 4.170 0.021 0.000 0.286 770 I C 0.769 176.893 176.117 0.011 0.000 1.009 770 I CA 0.439 61.710 61.300 -0.048 0.000 1.111 770 I CB 1.144 39.090 38.000 -0.089 0.000 1.262 770 I HN 0.729 nan 8.210 nan 0.000 0.443 771 G N 5.417 114.208 108.800 -0.015 0.000 2.527 771 G HA2 -0.315 3.658 3.960 0.021 0.000 0.268 771 G HA3 -0.315 3.658 3.960 0.021 0.000 0.268 771 G C 0.087 175.005 174.900 0.030 0.000 1.175 771 G CA 0.556 45.650 45.100 -0.010 0.000 0.962 771 G HN 0.709 nan 8.290 nan 0.000 0.560 772 D N 0.517 120.955 120.400 0.063 0.000 2.363 772 D HA 0.275 4.928 4.640 0.021 0.000 0.214 772 D C 0.803 177.309 176.300 0.345 0.000 1.093 772 D CA 0.259 54.329 54.000 0.117 0.000 0.837 772 D CB 0.456 41.273 40.800 0.028 0.000 0.948 772 D HN 0.493 nan 8.370 nan 0.000 0.507 773 K N 1.593 122.153 120.400 0.268 0.000 2.262 773 K HA 0.192 4.525 4.320 0.021 0.000 0.282 773 K C -0.322 176.261 176.600 -0.028 0.000 1.066 773 K CA -0.560 55.807 56.287 0.135 0.000 0.901 773 K CB 0.638 33.157 32.500 0.032 0.000 1.089 773 K HN -0.141 nan 8.250 nan 0.000 0.476 774 K N 2.492 122.739 120.400 -0.255 0.000 2.382 774 K HA -0.010 4.323 4.320 0.021 0.000 0.275 774 K C 0.882 177.266 176.600 -0.360 0.000 1.009 774 K CA -0.064 55.811 56.287 -0.687 0.000 0.970 774 K CB 0.802 33.001 32.500 -0.501 0.000 0.934 774 K HN 0.445 nan 8.250 nan 0.000 0.479 775 Q N 1.212 120.780 119.800 -0.388 0.000 2.378 775 Q HA 0.214 4.567 4.340 0.021 0.000 0.229 775 Q C 0.053 175.981 176.000 -0.119 0.000 0.882 775 Q CA 0.573 56.290 55.803 -0.144 0.000 0.936 775 Q CB 0.510 29.213 28.738 -0.058 0.000 1.092 775 Q HN 0.502 nan 8.270 nan 0.000 0.535 776 L N 0.370 121.463 121.223 -0.218 0.000 2.334 776 L HA 0.391 4.744 4.340 0.021 0.000 0.272 776 L C 1.089 177.838 176.870 -0.201 0.000 1.020 776 L CA -0.405 54.330 54.840 -0.176 0.000 0.812 776 L CB 1.339 43.298 42.059 -0.165 0.000 1.264 776 L HN -0.060 nan 8.230 nan 0.000 0.439 777 L N 0.041 121.138 121.223 -0.210 0.000 2.526 777 L HA 0.178 4.530 4.340 0.021 0.000 0.210 777 L C 0.682 177.445 176.870 -0.178 0.000 1.048 777 L CA 0.527 55.243 54.840 -0.206 0.000 0.852 777 L CB 0.680 42.587 42.059 -0.253 0.000 1.128 777 L HN 0.763 nan 8.230 nan 0.000 0.482 778 T N -1.556 112.873 114.554 -0.208 0.000 2.893 778 T HA 0.521 4.884 4.350 0.021 0.000 0.293 778 T C -2.856 171.783 174.700 -0.102 0.000 1.027 778 T CA -2.153 59.873 62.100 -0.123 0.000 0.988 778 T CB 2.215 71.049 68.868 -0.056 0.000 1.043 778 T HN -0.219 nan 8.240 nan 0.000 0.461 779 P HA 0.130 nan 4.420 nan 0.000 0.267 779 P C -0.253 177.007 177.300 -0.067 0.000 1.200 779 P CA -0.592 62.469 63.100 -0.066 0.000 0.772 779 P CB 0.375 32.038 31.700 -0.062 0.000 0.855 780 L N 4.220 125.451 121.223 0.012 0.000 2.515 780 L HA 0.166 4.519 4.340 0.021 0.000 0.281 780 L C 0.335 177.225 176.870 0.034 0.000 1.131 780 L CA 0.600 55.494 54.840 0.090 0.000 0.905 780 L CB -0.622 41.591 42.059 0.257 0.000 1.246 780 L HN 0.301 nan 8.230 nan 0.000 0.463 781 R N 2.652 123.075 120.500 -0.128 0.000 2.807 781 R HA 0.455 4.808 4.340 0.021 0.000 0.276 781 R C -0.815 175.443 176.300 -0.071 0.000 0.979 781 R CA -0.876 55.046 56.100 -0.297 0.000 0.928 781 R CB 1.142 30.974 30.300 -0.780 0.000 1.191 781 R HN 0.507 nan 8.270 nan 0.000 0.471 782 D N 1.354 121.803 120.400 0.081 0.000 2.419 782 D HA -0.001 4.652 4.640 0.021 0.000 0.236 782 D C -0.377 175.638 176.300 -0.475 0.000 1.165 782 D CA 0.687 54.569 54.000 -0.196 0.000 0.882 782 D CB 0.629 41.260 40.800 -0.283 0.000 1.201 782 D HN 0.276 nan 8.370 nan 0.000 0.443 783 Q N 1.932 121.236 119.800 -0.827 0.000 2.285 783 Q HA 0.254 4.606 4.340 0.021 0.000 0.269 783 Q C -1.314 173.966 176.000 -1.199 0.000 1.030 783 Q CA -0.635 54.684 55.803 -0.807 0.000 0.788 783 Q CB 0.756 29.255 28.738 -0.398 0.000 1.266 783 Q HN 0.541 nan 8.270 nan 0.000 0.438 784 F N 1.173 120.753 119.950 -0.618 0.000 2.682 784 F HA 0.175 4.715 4.527 0.021 0.000 0.308 784 F C 0.978 176.363 175.800 -0.691 0.000 1.093 784 F CA 0.051 57.569 58.000 -0.804 0.000 1.244 784 F CB 1.490 39.671 39.000 -1.364 0.000 1.052 784 F HN 0.577 nan 8.300 nan 0.000 0.573 785 T N -0.742 113.535 114.554 -0.461 0.000 2.910 785 T HA 0.727 5.090 4.350 0.021 0.000 0.287 785 T C -0.501 173.977 174.700 -0.369 0.000 1.050 785 T CA -0.895 60.879 62.100 -0.544 0.000 1.011 785 T CB 2.739 71.306 68.868 -0.501 0.000 1.195 785 T HN 0.224 nan 8.240 nan 0.000 0.540 786 R N -0.071 120.252 120.500 -0.295 0.000 2.836 786 R HA 0.752 5.105 4.340 0.021 0.000 0.269 786 R C -1.178 175.173 176.300 0.084 0.000 1.010 786 R CA -1.156 54.891 56.100 -0.090 0.000 0.930 786 R CB 1.540 31.809 30.300 -0.053 0.000 1.218 786 R HN 0.799 nan 8.270 nan 0.000 0.473 787 A N 3.173 126.029 122.820 0.060 0.000 2.539 787 A HA 0.331 4.664 4.320 0.021 0.000 0.306 787 A C -2.056 175.590 177.584 0.103 0.000 1.392 787 A CA -1.778 50.297 52.037 0.063 0.000 1.060 787 A CB -0.368 18.621 19.000 -0.020 0.000 1.134 787 A HN 0.560 nan 8.150 nan 0.000 0.542 788 P HA -0.082 nan 4.420 nan 0.000 0.260 788 P C -0.208 177.194 177.300 0.170 0.000 1.147 788 P CA 0.827 64.075 63.100 0.246 0.000 0.758 788 P CB 0.108 31.980 31.700 0.286 0.000 0.744 789 L N 2.520 123.802 121.223 0.098 0.000 2.479 789 L HA 0.210 4.562 4.340 0.021 0.000 0.248 789 L C 1.951 178.821 176.870 0.000 0.000 1.205 789 L CA -0.567 54.274 54.840 0.002 0.000 0.817 789 L CB -0.146 41.834 42.059 -0.131 0.000 1.162 789 L HN 0.274 nan 8.230 nan 0.000 0.486 790 D N 0.297 120.627 120.400 -0.117 0.000 2.116 790 D HA -0.175 4.477 4.640 0.021 0.000 0.193 790 D C 1.696 177.910 176.300 -0.143 0.000 0.998 790 D CA 1.430 55.279 54.000 -0.251 0.000 0.836 790 D CB -0.016 40.531 40.800 -0.422 0.000 0.951 790 D HN 0.509 nan 8.370 nan 0.000 0.449 791 N N 1.326 119.956 118.700 -0.116 0.000 2.091 791 N HA -0.156 4.597 4.740 0.021 0.000 0.193 791 N C 1.275 176.791 175.510 0.010 0.000 1.021 791 N CA 1.036 54.053 53.050 -0.055 0.000 0.862 791 N CB -0.405 38.035 38.487 -0.080 0.000 1.018 791 N HN 0.330 nan 8.380 nan 0.000 0.429 792 D N 0.205 120.627 120.400 0.036 0.000 2.144 792 D HA -0.051 4.602 4.640 0.021 0.000 0.200 792 D C 2.086 178.446 176.300 0.101 0.000 0.978 792 D CA 0.612 54.675 54.000 0.104 0.000 0.833 792 D CB -0.014 40.925 40.800 0.231 0.000 0.961 792 D HN 0.354 nan 8.370 nan 0.000 0.470 793 I N 0.225 120.838 120.570 0.071 0.000 2.270 793 I HA 0.053 4.236 4.170 0.021 0.000 0.239 793 I C 1.899 178.051 176.117 0.058 0.000 1.080 793 I CA 0.966 62.300 61.300 0.057 0.000 1.383 793 I CB -0.380 37.626 38.000 0.010 0.000 1.097 793 I HN 0.131 nan 8.210 nan 0.000 0.420 794 G N 0.671 109.515 108.800 0.072 0.000 2.520 794 G HA2 -0.283 3.690 3.960 0.021 0.000 0.248 794 G HA3 -0.283 3.690 3.960 0.021 0.000 0.248 794 G C 0.448 175.528 174.900 0.300 0.000 1.161 794 G CA 0.394 45.600 45.100 0.175 0.000 0.946 794 G HN 0.676 nan 8.290 nan 0.000 0.565 795 V N -2.303 117.729 119.914 0.196 0.000 3.319 795 V HA 0.692 4.825 4.120 0.021 0.000 0.317 795 V C 1.007 177.128 176.094 0.045 0.000 1.411 795 V CA 1.130 63.496 62.300 0.110 0.000 1.112 795 V CB 0.430 32.203 31.823 -0.083 0.000 1.031 795 V HN 1.275 nan 8.190 nan 0.000 0.448 796 S N 1.517 117.251 115.700 0.056 0.000 2.498 796 S HA 0.351 4.834 4.470 0.021 0.000 0.281 796 S C 0.106 174.729 174.600 0.038 0.000 1.265 796 S CA 0.089 58.307 58.200 0.031 0.000 1.071 796 S CB 0.436 63.652 63.200 0.027 0.000 0.894 796 S HN 0.773 nan 8.310 nan 0.000 0.491 797 E N 2.090 122.306 120.200 0.026 0.000 2.285 797 E HA 0.685 5.048 4.350 0.021 0.000 0.254 797 E C 0.282 176.903 176.600 0.034 0.000 1.011 797 E CA -0.328 56.092 56.400 0.034 0.000 0.873 797 E CB 0.795 30.509 29.700 0.023 0.000 1.229 797 E HN 0.563 nan 8.360 nan 0.000 0.422 798 A N -0.262 122.583 122.820 0.041 0.000 2.345 798 A HA 0.091 4.423 4.320 0.021 0.000 0.225 798 A C 0.856 178.459 177.584 0.032 0.000 1.243 798 A CA 0.575 52.636 52.037 0.039 0.000 0.875 798 A CB -0.269 18.760 19.000 0.048 0.000 0.929 798 A HN 0.508 nan 8.150 nan 0.000 0.502 799 T N -3.917 110.653 114.554 0.026 0.000 3.004 799 T HA 0.361 4.724 4.350 0.021 0.000 0.266 799 T C 0.530 175.233 174.700 0.005 0.000 0.986 799 T CA -0.223 61.888 62.100 0.017 0.000 0.902 799 T CB 0.348 69.228 68.868 0.020 0.000 1.118 799 T HN 0.122 nan 8.240 nan 0.000 0.522 800 R N 1.555 122.056 120.500 0.002 0.000 3.101 800 R HA 0.303 4.656 4.340 0.021 0.000 0.242 800 R C -1.509 174.787 176.300 -0.007 0.000 1.831 800 R CA -0.474 55.620 56.100 -0.010 0.000 1.321 800 R CB 0.539 30.824 30.300 -0.024 0.000 1.512 800 R HN 0.184 nan 8.270 nan 0.000 0.568 801 I N 2.308 122.876 120.570 -0.003 0.000 2.517 801 I HA -0.021 4.162 4.170 0.021 0.000 0.285 801 I C 0.725 176.833 176.117 -0.015 0.000 1.106 801 I CA -0.247 61.052 61.300 -0.003 0.000 1.402 801 I CB 0.533 38.534 38.000 0.002 0.000 1.399 801 I HN 0.324 nan 8.210 nan 0.000 0.535 802 D N 9.834 130.224 120.400 -0.017 0.000 2.485 802 D HA 0.286 4.939 4.640 0.021 0.000 0.221 802 D C -1.653 174.619 176.300 -0.048 0.000 1.112 802 D CA -2.174 51.808 54.000 -0.030 0.000 0.911 802 D CB 1.254 42.041 40.800 -0.023 0.000 1.019 802 D HN 0.153 nan 8.370 nan 0.000 0.516 803 P HA -0.212 nan 4.420 nan 0.000 0.218 803 P C 0.796 178.019 177.300 -0.129 0.000 1.152 803 P CA 1.102 64.156 63.100 -0.076 0.000 0.857 803 P CB 0.207 31.866 31.700 -0.069 0.000 0.787 804 N N -0.251 118.364 118.700 -0.141 0.000 2.459 804 N HA -0.001 4.752 4.740 0.021 0.000 0.181 804 N C 0.811 176.150 175.510 -0.285 0.000 1.046 804 N CA 0.509 53.428 53.050 -0.217 0.000 0.904 804 N CB -0.520 37.866 38.487 -0.168 0.000 0.964 804 N HN 0.147 nan 8.380 nan 0.000 0.444 805 A N 0.342 123.053 122.820 -0.181 0.000 2.524 805 A HA -0.011 4.322 4.320 0.021 0.000 0.250 805 A C 0.841 178.281 177.584 -0.240 0.000 1.078 805 A CA -0.380 51.571 52.037 -0.145 0.000 0.761 805 A CB -0.260 18.714 19.000 -0.044 0.000 1.012 805 A HN 0.365 nan 8.150 nan 0.000 0.500 806 W N 2.133 123.199 121.300 -0.391 0.000 2.290 806 W HA -0.265 4.408 4.660 0.021 0.000 0.318 806 W C 2.192 178.104 176.519 -1.012 0.000 1.248 806 W CA 2.067 58.922 57.345 -0.818 0.000 1.263 806 W CB -0.159 28.773 29.460 -0.881 0.000 1.147 806 W HN 0.587 nan 8.180 nan 0.000 0.494 807 V N 0.475 120.296 119.914 -0.154 0.000 2.407 807 V HA -0.246 3.886 4.120 0.021 0.000 0.248 807 V C 2.177 178.384 176.094 0.188 0.000 1.055 807 V CA 2.120 64.548 62.300 0.214 0.000 1.049 807 V CB -0.370 31.619 31.823 0.277 0.000 0.662 807 V HN 0.056 nan 8.190 nan 0.000 0.455 808 E N 0.051 120.267 120.200 0.027 0.000 2.072 808 E HA -0.160 4.203 4.350 0.021 0.000 0.191 808 E C 2.391 178.985 176.600 -0.010 0.000 0.985 808 E CA 1.136 57.547 56.400 0.019 0.000 0.801 808 E CB -0.304 29.378 29.700 -0.031 0.000 0.750 808 E HN 0.593 nan 8.360 nan 0.000 0.452 809 R N -0.414 120.002 120.500 -0.140 0.000 2.073 809 R HA -0.139 4.214 4.340 0.021 0.000 0.234 809 R C 2.293 178.561 176.300 -0.053 0.000 1.134 809 R CA 1.299 57.286 56.100 -0.188 0.000 0.952 809 R CB -0.255 29.793 30.300 -0.421 0.000 0.850 809 R HN 0.255 nan 8.270 nan 0.000 0.433 810 W N 1.502 122.790 121.300 -0.020 0.000 2.335 810 W HA -0.129 4.544 4.660 0.022 0.000 0.311 810 W C 2.101 178.605 176.519 -0.026 0.000 1.213 810 W CA 0.772 58.030 57.345 -0.144 0.000 1.274 810 W CB -0.824 28.669 29.460 0.056 0.000 1.148 810 W HN 0.106 nan 8.180 nan 0.000 0.498 811 K N -0.063 120.593 120.400 0.427 0.000 2.001 811 K HA -0.160 4.173 4.320 0.021 0.000 0.214 811 K C 2.199 178.899 176.600 0.166 0.000 1.050 811 K CA 2.165 58.657 56.287 0.341 0.000 0.934 811 K CB -0.685 31.966 32.500 0.252 0.000 0.718 811 K HN 0.002 nan 8.250 nan 0.000 0.443 812 A N 0.569 123.454 122.820 0.107 0.000 2.125 812 A HA -0.055 4.278 4.320 0.021 0.000 0.219 812 A C 2.037 179.663 177.584 0.069 0.000 1.156 812 A CA 1.711 53.794 52.037 0.076 0.000 0.671 812 A CB -0.412 18.609 19.000 0.035 0.000 0.794 812 A HN 0.380 nan 8.150 nan 0.000 0.459 813 A N -1.787 121.050 122.820 0.029 0.000 2.238 813 A HA 0.429 4.762 4.320 0.021 0.000 0.210 813 A C 1.741 179.333 177.584 0.014 0.000 1.179 813 A CA 1.073 53.132 52.037 0.036 0.000 0.827 813 A CB -0.762 18.180 19.000 -0.098 0.000 0.856 813 A HN 1.801 nan 8.150 nan 0.000 0.488 814 G N -0.759 107.981 108.800 -0.101 0.000 2.198 814 G HA2 -0.320 3.653 3.960 0.021 0.000 0.260 814 G HA3 -0.320 3.653 3.960 0.021 0.000 0.260 814 G C 0.522 175.386 174.900 -0.060 0.000 1.025 814 G CA 0.751 45.618 45.100 -0.388 0.000 0.769 814 G HN 0.776 nan 8.290 nan 0.000 0.507 815 H N -1.691 117.335 119.070 -0.073 0.000 2.422 815 H HA -0.103 4.466 4.556 0.021 0.000 0.298 815 H C 1.963 177.209 175.328 -0.136 0.000 1.098 815 H CA 1.534 57.532 56.048 -0.084 0.000 1.315 815 H CB 0.120 29.774 29.762 -0.180 0.000 1.382 815 H HN 0.667 nan 8.280 nan 0.000 0.523 816 Y N 0.211 120.612 120.300 0.169 0.000 2.529 816 Y HA -0.043 4.520 4.550 0.021 0.000 0.290 816 Y C 1.581 177.545 175.900 0.107 0.000 1.177 816 Y CA 0.395 58.562 58.100 0.112 0.000 1.305 816 Y CB 0.387 38.902 38.460 0.092 0.000 1.047 816 Y HN 0.244 nan 8.280 nan 0.000 0.522 817 Q N -0.555 119.370 119.800 0.208 0.000 2.210 817 Q HA 0.337 4.690 4.340 0.021 0.000 0.252 817 Q C 0.817 176.974 176.000 0.262 0.000 0.811 817 Q CA 0.036 55.964 55.803 0.209 0.000 0.953 817 Q CB 0.603 29.455 28.738 0.190 0.000 1.136 817 Q HN 0.229 nan 8.270 nan 0.000 0.491 818 A N 3.038 126.006 122.820 0.247 0.000 2.616 818 A HA 0.004 4.336 4.320 0.021 0.000 0.234 818 A C 0.126 177.979 177.584 0.449 0.000 1.024 818 A CA 0.473 52.730 52.037 0.366 0.000 0.758 818 A CB 0.068 19.306 19.000 0.396 0.000 0.939 818 A HN 0.208 nan 8.150 nan 0.000 0.510 819 E N 1.893 122.285 120.200 0.321 0.000 2.145 819 E HA 0.570 4.932 4.350 0.021 0.000 0.270 819 E C -0.292 176.290 176.600 -0.030 0.000 0.906 819 E CA -0.310 56.201 56.400 0.184 0.000 0.761 819 E CB 1.173 30.956 29.700 0.137 0.000 1.116 819 E HN 0.726 nan 8.360 nan 0.000 0.408 820 A N 2.779 125.402 122.820 -0.328 0.000 2.440 820 A HA 0.526 4.859 4.320 0.021 0.000 0.251 820 A C 0.020 177.423 177.584 -0.301 0.000 1.089 820 A CA 0.061 51.591 52.037 -0.845 0.000 0.779 820 A CB 0.232 18.617 19.000 -1.025 0.000 1.022 820 A HN 0.754 nan 8.150 nan 0.000 0.492 821 A N 2.340 125.006 122.820 -0.257 0.000 2.318 821 A HA 0.579 4.911 4.320 0.021 0.000 0.324 821 A C -0.513 176.983 177.584 -0.147 0.000 1.170 821 A CA -0.580 51.386 52.037 -0.118 0.000 0.810 821 A CB 0.673 19.632 19.000 -0.069 0.000 1.198 821 A HN 1.427 nan 8.150 nan 0.000 0.484 822 L N 4.032 125.157 121.223 -0.163 0.000 2.342 822 L HA 0.377 4.730 4.340 0.021 0.000 0.285 822 L C 0.287 177.019 176.870 -0.230 0.000 1.095 822 L CA 0.067 54.702 54.840 -0.343 0.000 0.843 822 L CB -0.187 41.694 42.059 -0.297 0.000 1.201 822 L HN 0.761 nan 8.230 nan 0.000 0.445 823 L N 3.241 124.327 121.223 -0.229 0.000 2.145 823 L HA 0.221 4.573 4.340 0.021 0.000 0.201 823 L C 0.956 177.770 176.870 -0.094 0.000 1.075 823 L CA 0.646 55.418 54.840 -0.112 0.000 0.773 823 L CB -0.224 41.803 42.059 -0.052 0.000 0.936 823 L HN 0.752 nan 8.230 nan 0.000 0.451 824 Q N -0.821 118.907 119.800 -0.119 0.000 2.456 824 Q HA 0.460 4.813 4.340 0.021 0.000 0.284 824 Q C -1.889 174.075 176.000 -0.061 0.000 1.061 824 Q CA -0.760 55.007 55.803 -0.059 0.000 0.799 824 Q CB 2.944 31.676 28.738 -0.011 0.000 1.445 824 Q HN 0.108 nan 8.270 nan 0.000 0.411 825 C N 2.603 121.914 119.300 0.020 0.000 3.146 825 C HA 0.592 5.065 4.460 0.021 0.000 0.382 825 C C -1.219 173.906 174.990 0.225 0.000 1.060 825 C CA 0.419 59.501 59.018 0.105 0.000 1.304 825 C CB 0.212 27.992 27.740 0.066 0.000 1.699 825 C HN 0.831 nan 8.230 nan 0.000 0.532 826 T N 2.469 117.117 114.554 0.157 0.000 2.900 826 T HA 0.888 5.251 4.350 0.021 0.000 0.295 826 T C -0.159 174.420 174.700 -0.201 0.000 1.044 826 T CA 0.128 62.271 62.100 0.071 0.000 0.995 826 T CB 1.896 70.780 68.868 0.026 0.000 1.072 826 T HN 1.662 nan 8.240 nan 0.000 0.473 827 A N 1.687 124.201 122.820 -0.510 0.000 2.282 827 A HA 0.919 5.251 4.320 0.021 0.000 0.324 827 A C -0.717 176.652 177.584 -0.358 0.000 1.119 827 A CA -0.527 51.097 52.037 -0.688 0.000 0.880 827 A CB 1.044 19.294 19.000 -1.251 0.000 1.294 827 A HN 0.942 nan 8.150 nan 0.000 0.493 828 D N -1.404 118.812 120.400 -0.306 0.000 2.751 828 D HA 0.382 5.035 4.640 0.021 0.000 0.236 828 D C -1.558 174.642 176.300 -0.167 0.000 1.196 828 D CA 0.029 53.918 54.000 -0.184 0.000 0.741 828 D CB 1.800 42.522 40.800 -0.130 0.000 1.474 828 D HN 0.647 nan 8.370 nan 0.000 0.452 829 T N 1.658 116.141 114.554 -0.119 0.000 2.809 829 T HA 0.666 5.029 4.350 0.021 0.000 0.284 829 T C 0.093 174.747 174.700 -0.076 0.000 0.992 829 T CA -0.553 61.486 62.100 -0.101 0.000 0.957 829 T CB 0.414 69.230 68.868 -0.086 0.000 0.942 829 T HN 0.254 nan 8.240 nan 0.000 0.439 830 L N 3.498 124.675 121.223 -0.078 0.000 2.642 830 L HA 0.576 4.929 4.340 0.021 0.000 0.229 830 L C 2.175 179.012 176.870 -0.054 0.000 1.179 830 L CA -0.717 54.087 54.840 -0.060 0.000 0.834 830 L CB -0.071 41.952 42.059 -0.061 0.000 1.515 830 L HN 0.821 nan 8.230 nan 0.000 0.512 831 A N 0.473 123.267 122.820 -0.043 0.000 1.840 831 A HA -0.179 4.154 4.320 0.021 0.000 0.214 831 A C 1.577 179.135 177.584 -0.044 0.000 1.198 831 A CA 1.889 53.904 52.037 -0.037 0.000 0.608 831 A CB -0.794 18.189 19.000 -0.028 0.000 0.839 831 A HN 0.921 nan 8.150 nan 0.000 0.443 832 D N -1.504 118.869 120.400 -0.046 0.000 2.327 832 D HA 0.479 5.132 4.640 0.021 0.000 0.205 832 D C 0.631 176.890 176.300 -0.067 0.000 0.989 832 D CA 0.770 54.741 54.000 -0.049 0.000 0.873 832 D CB 0.210 40.987 40.800 -0.038 0.000 0.955 832 D HN 0.516 nan 8.370 nan 0.000 0.515 833 A N -0.319 122.453 122.820 -0.079 0.000 2.533 833 A HA 0.651 4.984 4.320 0.021 0.000 0.293 833 A C -1.383 176.127 177.584 -0.123 0.000 1.228 833 A CA -0.823 51.151 52.037 -0.106 0.000 0.689 833 A CB 1.182 20.123 19.000 -0.098 0.000 1.303 833 A HN -0.009 nan 8.150 nan 0.000 0.444 834 V N 0.266 120.086 119.914 -0.157 0.000 2.532 834 V HA 0.588 4.721 4.120 0.021 0.000 0.295 834 V C -0.811 175.173 176.094 -0.184 0.000 1.041 834 V CA -0.354 61.837 62.300 -0.182 0.000 0.926 834 V CB 1.349 33.040 31.823 -0.220 0.000 0.992 834 V HN 0.760 nan 8.190 nan 0.000 0.457 835 L N 5.915 127.025 121.223 -0.188 0.000 2.353 835 L HA 0.601 4.954 4.340 0.021 0.000 0.270 835 L C -0.930 175.820 176.870 -0.201 0.000 1.003 835 L CA -0.049 54.698 54.840 -0.156 0.000 0.862 835 L CB 0.941 42.939 42.059 -0.101 0.000 1.221 835 L HN 0.395 nan 8.230 nan 0.000 0.430 836 I N 3.895 124.344 120.570 -0.201 0.000 2.342 836 I HA 0.438 4.621 4.170 0.021 0.000 0.291 836 I C 0.261 176.418 176.117 0.068 0.000 1.010 836 I CA -0.226 60.945 61.300 -0.215 0.000 1.308 836 I CB 1.191 38.866 38.000 -0.542 0.000 1.400 836 I HN 0.538 nan 8.210 nan 0.000 0.488 837 T N 5.386 119.973 114.554 0.054 0.000 2.809 837 T HA 0.635 4.998 4.350 0.021 0.000 0.284 837 T C 0.245 175.031 174.700 0.142 0.000 0.992 837 T CA -0.623 61.544 62.100 0.112 0.000 0.957 837 T CB 1.494 70.388 68.868 0.043 0.000 0.942 837 T HN 0.758 nan 8.240 nan 0.000 0.439 838 T N -0.285 114.388 114.554 0.198 0.000 2.858 838 T HA 0.930 5.292 4.350 0.021 0.000 0.285 838 T C -1.049 173.730 174.700 0.133 0.000 1.052 838 T CA -1.148 61.048 62.100 0.160 0.000 1.009 838 T CB 2.044 71.061 68.868 0.249 0.000 1.241 838 T HN 0.876 nan 8.240 nan 0.000 0.542 839 A N 1.027 123.868 122.820 0.035 0.000 2.547 839 A HA 0.651 4.983 4.320 0.021 0.000 0.300 839 A C -1.531 175.948 177.584 -0.174 0.000 1.061 839 A CA -0.808 51.266 52.037 0.062 0.000 0.808 839 A CB 0.419 19.451 19.000 0.053 0.000 1.304 839 A HN 1.007 nan 8.150 nan 0.000 0.393 840 H N 0.177 119.274 119.070 0.046 0.000 2.855 840 H HA 0.894 5.463 4.556 0.021 0.000 0.363 840 H C 0.012 175.333 175.328 -0.013 0.000 1.185 840 H CA 0.113 56.099 56.048 -0.103 0.000 1.174 840 H CB 2.116 31.674 29.762 -0.340 0.000 1.857 840 H HN 1.201 nan 8.280 nan 0.000 0.565 841 A N 1.011 123.808 122.820 -0.039 0.000 2.408 841 A HA 0.374 4.706 4.320 0.021 0.000 0.295 841 A C -1.500 176.085 177.584 0.002 0.000 1.040 841 A CA -0.733 51.372 52.037 0.113 0.000 0.707 841 A CB 1.053 20.115 19.000 0.104 0.000 1.235 841 A HN 0.538 nan 8.150 nan 0.000 0.418 842 W N 1.864 123.258 121.300 0.156 0.000 2.365 842 W HA 0.489 5.162 4.660 0.022 0.000 0.316 842 W C -0.077 176.426 176.519 -0.027 0.000 1.164 842 W CA -0.214 57.202 57.345 0.119 0.000 1.204 842 W CB 1.484 31.055 29.460 0.184 0.000 1.213 842 W HN 0.764 nan 8.180 nan 0.000 0.539 843 Q N 0.645 120.564 119.800 0.199 0.000 2.528 843 Q HA 0.448 4.801 4.340 0.021 0.000 0.289 843 Q C -0.913 175.214 176.000 0.212 0.000 1.091 843 Q CA -0.840 55.037 55.803 0.124 0.000 0.797 843 Q CB 3.410 32.191 28.738 0.072 0.000 1.466 843 Q HN 0.414 nan 8.270 nan 0.000 0.436 844 H N 0.842 119.938 119.070 0.043 0.000 3.099 844 H HA 0.089 4.657 4.556 0.021 0.000 0.342 844 H C -1.148 174.210 175.328 0.050 0.000 1.054 844 H CA -0.179 55.909 56.048 0.066 0.000 1.328 844 H CB 1.141 30.957 29.762 0.090 0.000 1.876 844 H HN 0.813 nan 8.280 nan 0.000 0.495 845 Q N 3.292 122.822 119.800 -0.449 0.000 2.423 845 Q HA -0.267 4.085 4.340 0.021 0.000 0.332 845 Q C 1.055 176.981 176.000 -0.123 0.000 1.355 845 Q CA 1.327 56.923 55.803 -0.345 0.000 0.947 845 Q CB -1.358 27.095 28.738 -0.475 0.000 1.189 845 Q HN 1.156 nan 8.270 nan 0.000 0.418 846 G N -0.500 108.266 108.800 -0.057 0.000 2.253 846 G HA2 -0.393 3.580 3.960 0.021 0.000 0.251 846 G HA3 -0.393 3.580 3.960 0.021 0.000 0.251 846 G C 0.164 175.066 174.900 0.003 0.000 0.998 846 G CA 0.568 45.657 45.100 -0.018 0.000 0.621 846 G HN 0.416 nan 8.290 nan 0.000 0.524 847 K N 1.013 121.424 120.400 0.018 0.000 2.118 847 K HA 0.611 4.944 4.320 0.021 0.000 0.267 847 K C -0.326 176.279 176.600 0.007 0.000 0.991 847 K CA 0.032 56.331 56.287 0.019 0.000 0.916 847 K CB 0.848 33.365 32.500 0.028 0.000 1.041 847 K HN -0.022 nan 8.250 nan 0.000 0.455 848 T N 5.533 120.079 114.554 -0.013 0.000 2.910 848 T HA 0.217 4.580 4.350 0.021 0.000 0.323 848 T C 1.145 175.768 174.700 -0.128 0.000 1.091 848 T CA -0.429 61.653 62.100 -0.029 0.000 0.960 848 T CB 0.091 68.966 68.868 0.011 0.000 1.024 848 T HN 0.523 nan 8.240 nan 0.000 0.509 849 L N 2.343 123.375 121.223 -0.318 0.000 1.973 849 L HA 0.175 4.528 4.340 0.021 0.000 0.208 849 L C 0.451 176.827 176.870 -0.823 0.000 1.073 849 L CA 1.321 55.686 54.840 -0.792 0.000 0.746 849 L CB -0.347 40.727 42.059 -1.642 0.000 0.891 849 L HN 0.459 nan 8.230 nan 0.000 0.433 850 F N -0.932 118.927 119.950 -0.151 0.000 2.523 850 F HA 0.592 5.131 4.527 0.021 0.000 0.329 850 F C -0.094 175.787 175.800 0.136 0.000 1.061 850 F CA -0.899 56.981 58.000 -0.199 0.000 0.967 850 F CB 1.740 40.202 39.000 -0.896 0.000 1.218 850 F HN -0.241 nan 8.300 nan 0.000 0.480 851 I N 1.578 122.366 120.570 0.363 0.000 2.476 851 I HA 0.196 4.379 4.170 0.021 0.000 0.281 851 I C -0.828 175.548 176.117 0.431 0.000 1.040 851 I CA -0.337 61.186 61.300 0.372 0.000 1.094 851 I CB 1.866 40.008 38.000 0.237 0.000 1.219 851 I HN 0.523 nan 8.210 nan 0.000 0.450 852 S N 7.615 123.671 115.700 0.592 0.000 2.498 852 S HA 0.523 5.006 4.470 0.021 0.000 0.324 852 S C -0.449 174.398 174.600 0.412 0.000 1.071 852 S CA -0.738 57.795 58.200 0.555 0.000 1.113 852 S CB 0.384 64.047 63.200 0.771 0.000 0.976 852 S HN 0.533 nan 8.310 nan 0.000 0.462 853 R N 3.901 124.570 120.500 0.282 0.000 2.338 853 R HA 0.557 4.910 4.340 0.021 0.000 0.317 853 R C -0.622 175.761 176.300 0.140 0.000 0.968 853 R CA -0.792 55.430 56.100 0.203 0.000 0.849 853 R CB 1.593 31.987 30.300 0.156 0.000 1.128 853 R HN 0.515 nan 8.270 nan 0.000 0.448 854 K N 0.632 121.110 120.400 0.129 0.000 2.395 854 K HA 0.472 4.805 4.320 0.021 0.000 0.245 854 K C -0.744 175.848 176.600 -0.013 0.000 1.017 854 K CA -0.801 55.491 56.287 0.009 0.000 0.852 854 K CB 2.490 34.969 32.500 -0.034 0.000 1.311 854 K HN 0.670 nan 8.250 nan 0.000 0.452 855 T N -1.204 113.248 114.554 -0.170 0.000 2.928 855 T HA 0.488 4.851 4.350 0.021 0.000 0.296 855 T C -1.338 173.187 174.700 -0.292 0.000 1.000 855 T CA -0.776 61.257 62.100 -0.112 0.000 0.989 855 T CB 0.277 69.122 68.868 -0.038 0.000 1.005 855 T HN 0.333 nan 8.240 nan 0.000 0.442 856 Y N 2.014 122.336 120.300 0.037 0.000 2.328 856 Y HA 0.600 5.163 4.550 0.021 0.000 0.337 856 Y C 0.665 176.518 175.900 -0.079 0.000 0.966 856 Y CA -1.158 56.962 58.100 0.033 0.000 1.136 856 Y CB 1.585 40.121 38.460 0.125 0.000 1.170 856 Y HN 0.740 nan 8.280 nan 0.000 0.470 857 R N 5.135 125.666 120.500 0.052 0.000 2.371 857 R HA 0.583 4.936 4.340 0.021 0.000 0.312 857 R C -1.782 174.455 176.300 -0.105 0.000 0.980 857 R CA -0.366 55.709 56.100 -0.041 0.000 0.867 857 R CB 0.287 30.563 30.300 -0.041 0.000 1.163 857 R HN 0.784 nan 8.270 nan 0.000 0.492 858 I N 4.576 125.019 120.570 -0.211 0.000 2.353 858 I HA 0.243 4.426 4.170 0.021 0.000 0.293 858 I C -0.257 175.714 176.117 -0.244 0.000 0.992 858 I CA -0.603 60.494 61.300 -0.339 0.000 1.268 858 I CB 1.414 39.005 38.000 -0.681 0.000 1.387 858 I HN 0.704 nan 8.210 nan 0.000 0.478 859 D N 3.666 123.952 120.400 -0.190 0.000 2.533 859 D HA 0.301 4.954 4.640 0.021 0.000 0.247 859 D C 1.021 177.274 176.300 -0.078 0.000 1.056 859 D CA -0.830 53.101 54.000 -0.115 0.000 1.054 859 D CB 1.116 41.876 40.800 -0.067 0.000 1.400 859 D HN 0.478 nan 8.370 nan 0.000 0.533 860 G N -0.843 107.932 108.800 -0.041 0.000 2.527 860 G HA2 -0.197 3.776 3.960 0.021 0.000 0.219 860 G HA3 -0.197 3.776 3.960 0.021 0.000 0.219 860 G C 0.993 175.925 174.900 0.054 0.000 1.117 860 G CA 0.906 46.009 45.100 0.005 0.000 0.759 860 G HN 0.430 nan 8.290 nan 0.000 0.556 861 S N -0.084 115.642 115.700 0.044 0.000 2.453 861 S HA 0.246 4.729 4.470 0.021 0.000 0.231 861 S C 1.929 176.572 174.600 0.072 0.000 1.005 861 S CA 0.875 59.117 58.200 0.070 0.000 0.949 861 S CB -0.103 63.127 63.200 0.050 0.000 0.774 861 S HN 1.366 nan 8.310 nan 0.000 0.510 862 G N 1.240 110.072 108.800 0.055 0.000 2.132 862 G HA2 -0.213 3.760 3.960 0.021 0.000 0.228 862 G HA3 -0.213 3.760 3.960 0.021 0.000 0.228 862 G C -0.370 174.585 174.900 0.093 0.000 1.000 862 G CA -0.368 44.798 45.100 0.110 0.000 0.693 862 G HN 0.528 nan 8.290 nan 0.000 0.515 863 Q N -0.515 119.295 119.800 0.016 0.000 2.293 863 Q HA 0.663 5.015 4.340 0.021 0.000 0.261 863 Q C 0.242 176.211 176.000 -0.053 0.000 0.960 863 Q CA -0.570 55.251 55.803 0.030 0.000 0.882 863 Q CB 1.910 30.682 28.738 0.056 0.000 1.275 863 Q HN 0.521 nan 8.270 nan 0.000 0.445 864 M N 1.600 121.193 119.600 -0.012 0.000 2.149 864 M HA 0.627 5.120 4.480 0.021 0.000 0.342 864 M C -1.429 174.940 176.300 0.115 0.000 1.068 864 M CA -0.463 54.815 55.300 -0.037 0.000 0.991 864 M CB 1.072 33.617 32.600 -0.091 0.000 1.596 864 M HN 0.664 nan 8.290 nan 0.000 0.439 865 A N 7.618 130.483 122.820 0.076 0.000 2.316 865 A HA 0.553 4.886 4.320 0.021 0.000 0.324 865 A C -0.386 177.207 177.584 0.014 0.000 1.375 865 A CA -0.871 51.211 52.037 0.075 0.000 0.882 865 A CB 0.095 19.128 19.000 0.054 0.000 1.152 865 A HN 0.896 nan 8.150 nan 0.000 0.512 866 I N 1.899 122.471 120.570 0.004 0.000 2.436 866 I HA 0.219 4.402 4.170 0.021 0.000 0.289 866 I C 0.074 176.070 176.117 -0.201 0.000 1.083 866 I CA 0.297 61.483 61.300 -0.189 0.000 1.372 866 I CB 0.372 38.316 38.000 -0.092 0.000 1.408 866 I HN 0.351 nan 8.210 nan 0.000 0.516 867 T N 6.441 120.847 114.554 -0.247 0.000 2.770 867 T HA 0.536 4.899 4.350 0.021 0.000 0.283 867 T C -0.173 174.353 174.700 -0.289 0.000 0.988 867 T CA -0.311 61.666 62.100 -0.204 0.000 0.957 867 T CB 1.581 70.426 68.868 -0.039 0.000 0.930 867 T HN 0.362 nan 8.240 nan 0.000 0.443 868 V N 4.383 124.004 119.914 -0.489 0.000 2.604 868 V HA 0.542 4.675 4.120 0.021 0.000 0.305 868 V C -0.753 175.211 176.094 -0.216 0.000 1.043 868 V CA -0.968 61.065 62.300 -0.445 0.000 0.888 868 V CB 2.184 33.448 31.823 -0.931 0.000 0.995 868 V HN 0.791 nan 8.190 nan 0.000 0.429 869 D N 3.006 123.425 120.400 0.031 0.000 2.549 869 D HA 0.484 5.137 4.640 0.021 0.000 0.251 869 D C -0.972 175.477 176.300 0.248 0.000 1.153 869 D CA -0.118 54.002 54.000 0.201 0.000 0.861 869 D CB 2.584 43.526 40.800 0.237 0.000 1.207 869 D HN 0.233 nan 8.370 nan 0.000 0.543 870 V N 2.296 122.405 119.914 0.326 0.000 2.513 870 V HA 0.282 4.414 4.120 0.021 0.000 0.299 870 V C -0.033 176.248 176.094 0.311 0.000 1.035 870 V CA -0.541 61.974 62.300 0.359 0.000 0.889 870 V CB 2.227 34.315 31.823 0.442 0.000 0.988 870 V HN 0.380 nan 8.190 nan 0.000 0.440 871 E N 2.634 122.997 120.200 0.271 0.000 2.187 871 E HA 0.637 5.000 4.350 0.021 0.000 0.268 871 E C -1.464 175.281 176.600 0.241 0.000 0.896 871 E CA -0.428 56.103 56.400 0.219 0.000 0.766 871 E CB 2.158 31.960 29.700 0.170 0.000 1.142 871 E HN 0.478 nan 8.360 nan 0.000 0.408 872 V N 2.652 122.712 119.914 0.243 0.000 2.409 872 V HA 0.483 4.616 4.120 0.021 0.000 0.291 872 V C 0.149 176.347 176.094 0.174 0.000 1.020 872 V CA -1.197 61.264 62.300 0.268 0.000 0.848 872 V CB 1.331 33.361 31.823 0.346 0.000 0.990 872 V HN 0.883 nan 8.190 nan 0.000 0.430 873 A N 3.560 126.427 122.820 0.079 0.000 2.598 873 A HA 0.161 4.494 4.320 0.021 0.000 0.239 873 A C 1.795 179.435 177.584 0.093 0.000 1.032 873 A CA 0.865 52.931 52.037 0.048 0.000 0.760 873 A CB 0.167 19.153 19.000 -0.023 0.000 0.946 873 A HN 1.445 nan 8.150 nan 0.000 0.512 874 S N 1.375 117.126 115.700 0.085 0.000 2.370 874 S HA -0.190 4.293 4.470 0.021 0.000 0.226 874 S C 1.220 175.869 174.600 0.082 0.000 1.033 874 S CA 1.626 59.887 58.200 0.102 0.000 1.011 874 S CB -0.347 62.901 63.200 0.080 0.000 0.852 874 S HN 0.869 nan 8.310 nan 0.000 0.457 875 D N 0.220 120.650 120.400 0.050 0.000 2.328 875 D HA 0.085 4.738 4.640 0.021 0.000 0.226 875 D C 0.609 176.920 176.300 0.018 0.000 1.066 875 D CA 0.138 54.154 54.000 0.027 0.000 0.861 875 D CB -0.313 40.501 40.800 0.022 0.000 0.912 875 D HN 0.347 nan 8.370 nan 0.000 0.521 876 T N 0.835 115.414 114.554 0.041 0.000 2.934 876 T HA 0.415 4.778 4.350 0.021 0.000 0.283 876 T C -2.636 172.100 174.700 0.060 0.000 1.005 876 T CA -1.823 60.330 62.100 0.088 0.000 1.041 876 T CB 1.542 70.500 68.868 0.149 0.000 1.042 876 T HN -0.173 nan 8.240 nan 0.000 0.505 877 P HA 0.191 nan 4.420 nan 0.000 0.271 877 P C -0.851 176.666 177.300 0.363 0.000 1.220 877 P CA -0.072 63.083 63.100 0.092 0.000 0.768 877 P CB -0.060 31.712 31.700 0.121 0.000 0.848 878 H N 4.161 123.593 119.070 0.604 0.000 3.157 878 H HA 0.034 4.603 4.556 0.021 0.000 0.299 878 H C -1.644 173.985 175.328 0.501 0.000 0.961 878 H CA -0.908 55.433 56.048 0.489 0.000 1.428 878 H CB -0.841 29.144 29.762 0.371 0.000 1.459 878 H HN 0.359 nan 8.280 nan 0.000 0.566 879 P HA -0.024 nan 4.420 nan 0.000 0.269 879 P C 0.266 177.397 177.300 -0.283 0.000 1.215 879 P CA -0.196 62.874 63.100 -0.050 0.000 0.780 879 P CB 0.919 32.495 31.700 -0.206 0.000 0.898 880 A N 2.990 125.408 122.820 -0.670 0.000 1.969 880 A HA -0.079 4.254 4.320 0.021 0.000 0.218 880 A C 1.095 178.269 177.584 -0.684 0.000 1.169 880 A CA 1.408 53.040 52.037 -0.674 0.000 0.635 880 A CB -0.536 17.962 19.000 -0.837 0.000 0.810 880 A HN 0.762 nan 8.150 nan 0.000 0.445 881 R N -3.348 116.808 120.500 -0.574 0.000 2.907 881 R HA 0.774 5.127 4.340 0.021 0.000 0.266 881 R C -1.592 174.474 176.300 -0.390 0.000 1.031 881 R CA -0.821 54.980 56.100 -0.499 0.000 0.904 881 R CB 0.740 30.732 30.300 -0.514 0.000 1.358 881 R HN 0.032 nan 8.270 nan 0.000 0.438 882 I N 0.329 120.697 120.570 -0.338 0.000 2.594 882 I HA 0.515 4.698 4.170 0.021 0.000 0.272 882 I C -0.786 175.097 176.117 -0.390 0.000 1.225 882 I CA -0.399 60.710 61.300 -0.318 0.000 1.084 882 I CB 1.711 39.635 38.000 -0.127 0.000 1.324 882 I HN 0.986 nan 8.210 nan 0.000 0.481 883 G N 5.100 113.638 108.800 -0.437 0.000 2.772 883 G HA2 0.850 4.822 3.960 0.021 0.000 0.284 883 G HA3 0.850 4.822 3.960 0.021 0.000 0.284 883 G C -1.538 173.222 174.900 -0.233 0.000 1.217 883 G CA -0.537 44.341 45.100 -0.370 0.000 0.831 883 G HN 0.235 nan 8.290 nan 0.000 0.523 884 L N 0.481 121.609 121.223 -0.158 0.000 2.303 884 L HA 0.680 5.033 4.340 0.021 0.000 0.256 884 L C -0.661 176.122 176.870 -0.146 0.000 1.034 884 L CA -1.093 53.681 54.840 -0.111 0.000 0.832 884 L CB 2.491 44.561 42.059 0.018 0.000 1.403 884 L HN 0.797 nan 8.230 nan 0.000 0.419 885 N N 0.231 118.875 118.700 -0.093 0.000 2.591 885 N HA 0.657 5.410 4.740 0.021 0.000 0.263 885 N C -1.580 173.944 175.510 0.023 0.000 1.308 885 N CA -0.471 52.550 53.050 -0.048 0.000 0.837 885 N CB 2.555 41.022 38.487 -0.033 0.000 1.548 885 N HN 0.912 nan 8.380 nan 0.000 0.493 886 C N -0.432 118.909 119.300 0.069 0.000 3.283 886 C HA 0.467 4.939 4.460 0.021 0.000 0.359 886 C C -1.011 173.886 174.990 -0.156 0.000 1.160 886 C CA -0.751 58.279 59.018 0.020 0.000 1.232 886 C CB 0.963 28.726 27.740 0.038 0.000 1.571 886 C HN 0.846 nan 8.230 nan 0.000 0.522 887 Q N 2.361 121.863 119.800 -0.497 0.000 2.377 887 Q HA 0.557 4.910 4.340 0.021 0.000 0.249 887 Q C -0.602 175.105 176.000 -0.488 0.000 1.005 887 Q CA -0.318 54.900 55.803 -0.975 0.000 0.912 887 Q CB 0.555 28.374 28.738 -1.532 0.000 1.223 887 Q HN 0.787 nan 8.270 nan 0.000 0.459 888 L N 2.484 123.507 121.223 -0.334 0.000 2.439 888 L HA 0.150 4.502 4.340 0.021 0.000 0.269 888 L C 1.125 177.908 176.870 -0.145 0.000 1.179 888 L CA -0.104 54.656 54.840 -0.134 0.000 0.828 888 L CB 0.702 42.779 42.059 0.031 0.000 1.106 888 L HN 0.776 nan 8.230 nan 0.000 0.467 889 A N 1.594 124.367 122.820 -0.079 0.000 1.975 889 A HA -0.023 4.310 4.320 0.021 0.000 0.215 889 A C 1.082 178.654 177.584 -0.020 0.000 1.170 889 A CA 0.290 52.279 52.037 -0.080 0.000 0.656 889 A CB -0.139 18.802 19.000 -0.098 0.000 0.821 889 A HN 0.711 nan 8.150 nan 0.000 0.449 890 Q N -0.179 119.649 119.800 0.047 0.000 2.386 890 Q HA 0.370 4.723 4.340 0.021 0.000 0.282 890 Q C -1.049 175.008 176.000 0.095 0.000 1.050 890 Q CA 0.790 56.627 55.803 0.058 0.000 0.918 890 Q CB 0.703 29.513 28.738 0.120 0.000 1.266 890 Q HN 0.154 nan 8.270 nan 0.000 0.423 891 V N 2.845 122.773 119.914 0.024 0.000 2.567 891 V HA 0.773 4.906 4.120 0.021 0.000 0.298 891 V C -0.905 175.163 176.094 -0.043 0.000 1.047 891 V CA -0.304 62.045 62.300 0.082 0.000 0.880 891 V CB 1.500 33.353 31.823 0.049 0.000 1.009 891 V HN 0.869 nan 8.190 nan 0.000 0.429 892 A N 3.392 126.143 122.820 -0.115 0.000 2.350 892 A HA 0.810 5.143 4.320 0.021 0.000 0.318 892 A C 0.477 178.089 177.584 0.046 0.000 1.132 892 A CA -0.447 51.449 52.037 -0.236 0.000 0.811 892 A CB 1.499 20.063 19.000 -0.727 0.000 1.313 892 A HN 0.805 nan 8.150 nan 0.000 0.454 893 E N -0.149 120.063 120.200 0.019 0.000 2.170 893 E HA 0.020 4.382 4.350 0.021 0.000 0.191 893 E C 0.272 176.948 176.600 0.126 0.000 0.981 893 E CA 0.665 57.109 56.400 0.074 0.000 0.830 893 E CB 0.216 29.938 29.700 0.037 0.000 0.775 893 E HN 0.429 nan 8.360 nan 0.000 0.470 894 R N 0.095 120.678 120.500 0.139 0.000 2.892 894 R HA 0.554 4.907 4.340 0.021 0.000 0.265 894 R C -0.802 175.680 176.300 0.303 0.000 1.025 894 R CA -0.908 55.303 56.100 0.185 0.000 0.982 894 R CB 1.662 32.041 30.300 0.131 0.000 1.185 894 R HN -0.174 nan 8.270 nan 0.000 0.484 895 V N 1.340 121.444 119.914 0.317 0.000 2.709 895 V HA 0.447 4.580 4.120 0.021 0.000 0.308 895 V C -0.400 175.946 176.094 0.419 0.000 1.062 895 V CA -0.997 61.532 62.300 0.382 0.000 0.901 895 V CB 2.186 34.199 31.823 0.316 0.000 1.003 895 V HN 0.707 nan 8.190 nan 0.000 0.425 896 N N 3.567 122.506 118.700 0.399 0.000 2.430 896 N HA 0.475 5.228 4.740 0.021 0.000 0.290 896 N C -1.363 174.396 175.510 0.414 0.000 1.063 896 N CA -0.417 52.841 53.050 0.347 0.000 0.883 896 N CB 2.693 41.276 38.487 0.160 0.000 1.465 896 N HN 0.870 nan 8.380 nan 0.000 0.493 897 W N 3.520 124.879 121.300 0.099 0.000 3.047 897 W HA 0.695 5.367 4.660 0.021 0.000 0.341 897 W C -2.033 174.508 176.519 0.036 0.000 1.225 897 W CA -1.063 56.330 57.345 0.080 0.000 1.150 897 W CB 0.813 30.342 29.460 0.115 0.000 1.470 897 W HN 0.217 nan 8.180 nan 0.000 0.578 898 L N 3.549 124.781 121.223 0.015 0.000 2.388 898 L HA 0.878 5.230 4.340 0.021 0.000 0.267 898 L C -0.151 176.715 176.870 -0.008 0.000 0.995 898 L CA 0.252 54.925 54.840 -0.278 0.000 0.864 898 L CB 0.889 42.854 42.059 -0.156 0.000 1.216 898 L HN 1.024 nan 8.230 nan 0.000 0.430 899 G N 3.399 112.155 108.800 -0.075 0.000 2.364 899 G HA2 0.201 4.174 3.960 0.021 0.000 0.286 899 G HA3 0.201 4.174 3.960 0.021 0.000 0.286 899 G C -1.540 173.674 174.900 0.524 0.000 1.241 899 G CA -1.023 44.336 45.100 0.431 0.000 0.887 899 G HN 0.306 nan 8.290 nan 0.000 0.484 900 L N 1.661 123.205 121.223 0.536 0.000 2.477 900 L HA 0.504 4.857 4.340 0.021 0.000 0.272 900 L C 1.069 178.099 176.870 0.266 0.000 1.157 900 L CA 1.173 56.222 54.840 0.349 0.000 0.889 900 L CB -0.046 42.108 42.059 0.158 0.000 1.158 900 L HN 1.162 nan 8.230 nan 0.000 0.473 901 G N 4.430 113.202 108.800 -0.048 0.000 2.348 901 G HA2 0.207 4.179 3.960 0.021 0.000 0.296 901 G HA3 0.207 4.179 3.960 0.021 0.000 0.296 901 G C -2.759 171.375 174.900 -1.278 0.000 1.258 901 G CA -0.210 44.493 45.100 -0.661 0.000 0.868 901 G HN 0.322 nan 8.290 nan 0.000 0.488 902 P HA 0.131 nan 4.420 nan 0.000 0.245 902 P C 0.091 177.185 177.300 -0.342 0.000 1.203 902 P CA 0.473 62.910 63.100 -1.105 0.000 0.792 902 P CB 0.378 31.585 31.700 -0.820 0.000 0.997 903 Q N 0.797 120.404 119.800 -0.321 0.000 2.354 903 Q HA 0.161 4.513 4.340 0.021 0.000 0.244 903 Q C 0.171 176.064 176.000 -0.178 0.000 0.969 903 Q CA -0.758 54.930 55.803 -0.191 0.000 0.885 903 Q CB -0.215 28.440 28.738 -0.138 0.000 1.241 903 Q HN 0.127 nan 8.270 nan 0.000 0.461 904 E N 1.261 121.367 120.200 -0.156 0.000 2.708 904 E HA -0.123 4.240 4.350 0.021 0.000 0.260 904 E C -1.001 175.549 176.600 -0.084 0.000 0.937 904 E CA 0.574 56.887 56.400 -0.145 0.000 0.953 904 E CB 0.103 29.791 29.700 -0.020 0.000 0.915 904 E HN 0.818 nan 8.360 nan 0.000 0.487 905 N N 2.788 121.366 118.700 -0.202 0.000 2.406 905 N HA 0.239 4.992 4.740 0.021 0.000 0.283 905 N C -1.828 173.490 175.510 -0.320 0.000 1.074 905 N CA -0.678 52.303 53.050 -0.113 0.000 0.916 905 N CB 0.587 39.007 38.487 -0.113 0.000 1.639 905 N HN 0.140 nan 8.380 nan 0.000 0.485 906 Y N 1.118 121.323 120.300 -0.158 0.000 2.568 906 Y HA 0.504 5.067 4.550 0.021 0.000 0.327 906 Y C -1.441 174.387 175.900 -0.120 0.000 1.163 906 Y CA -2.156 55.844 58.100 -0.167 0.000 1.219 906 Y CB 0.976 39.337 38.460 -0.166 0.000 1.308 906 Y HN 0.440 nan 8.280 nan 0.000 0.503 907 P HA -0.186 nan 4.420 nan 0.000 0.216 907 P C 0.488 177.701 177.300 -0.144 0.000 1.153 907 P CA 2.165 65.296 63.100 0.052 0.000 0.858 907 P CB 0.188 32.004 31.700 0.193 0.000 0.789 908 D N -2.256 117.867 120.400 -0.461 0.000 2.342 908 D HA 0.001 4.654 4.640 0.021 0.000 0.221 908 D C 0.647 176.791 176.300 -0.260 0.000 1.101 908 D CA 0.023 53.534 54.000 -0.815 0.000 0.837 908 D CB -0.185 39.776 40.800 -1.399 0.000 0.938 908 D HN 0.113 nan 8.370 nan 0.000 0.508 909 R N 0.951 121.396 120.500 -0.091 0.000 2.655 909 R HA 0.235 4.588 4.340 0.021 0.000 0.261 909 R C -0.608 175.718 176.300 0.044 0.000 1.624 909 R CA -0.173 55.932 56.100 0.010 0.000 1.655 909 R CB 0.096 30.403 30.300 0.012 0.000 1.356 909 R HN 0.126 nan 8.270 nan 0.000 0.684 910 L N -1.652 119.604 121.223 0.055 0.000 3.519 910 L HA 0.326 4.679 4.340 0.021 0.000 0.323 910 L C 1.180 178.096 176.870 0.077 0.000 1.289 910 L CA -0.152 54.721 54.840 0.054 0.000 1.039 910 L CB 0.431 42.509 42.059 0.031 0.000 1.438 910 L HN 0.071 nan 8.230 nan 0.000 0.619 911 T N -2.587 112.035 114.554 0.113 0.000 2.867 911 T HA 0.041 4.404 4.350 0.021 0.000 0.268 911 T C 1.684 176.365 174.700 -0.031 0.000 1.057 911 T CA 1.203 63.375 62.100 0.121 0.000 1.136 911 T CB -0.268 68.748 68.868 0.247 0.000 0.874 911 T HN 0.394 nan 8.240 nan 0.000 0.466 912 A N 1.234 124.069 122.820 0.025 0.000 2.235 912 A HA 0.692 5.025 4.320 0.021 0.000 0.208 912 A C 1.421 179.074 177.584 0.115 0.000 1.172 912 A CA 0.290 52.332 52.037 0.010 0.000 0.786 912 A CB -0.853 18.302 19.000 0.257 0.000 0.804 912 A HN 0.817 nan 8.150 nan 0.000 0.479 913 A N -1.194 121.651 122.820 0.042 0.000 2.322 913 A HA 0.507 4.840 4.320 0.021 0.000 0.269 913 A C -0.097 177.521 177.584 0.057 0.000 1.094 913 A CA -0.185 51.853 52.037 0.003 0.000 0.807 913 A CB 0.143 19.140 19.000 -0.005 0.000 1.047 913 A HN 0.434 nan 8.150 nan 0.000 0.487 914 C N 0.343 119.683 119.300 0.066 0.000 2.561 914 C HA 0.539 5.012 4.460 0.021 0.000 0.319 914 C C -0.348 174.835 174.990 0.322 0.000 1.198 914 C CA -0.445 58.692 59.018 0.197 0.000 1.665 914 C CB 0.956 28.826 27.740 0.216 0.000 2.258 914 C HN 0.777 nan 8.230 nan 0.000 0.493 915 F N 3.894 123.787 119.950 -0.095 0.000 2.405 915 F HA 0.521 5.061 4.527 0.021 0.000 0.358 915 F C 0.100 175.621 175.800 -0.466 0.000 1.151 915 F CA 0.748 58.531 58.000 -0.361 0.000 1.161 915 F CB -0.378 37.967 39.000 -1.092 0.000 1.245 915 F HN 0.596 nan 8.300 nan 0.000 0.545 916 D N 2.881 122.635 120.400 -1.078 0.000 2.713 916 D HA 0.219 4.872 4.640 0.021 0.000 0.306 916 D C -1.491 173.823 176.300 -1.643 0.000 1.299 916 D CA -0.771 52.328 54.000 -1.501 0.000 0.823 916 D CB 1.344 41.170 40.800 -1.623 0.000 1.353 916 D HN 0.444 nan 8.370 nan 0.000 0.447 917 R N 0.681 120.368 120.500 -1.356 0.000 2.267 917 R HA 0.484 4.837 4.340 0.021 0.000 0.319 917 R C -1.304 174.248 176.300 -1.247 0.000 1.067 917 R CA -0.024 55.460 56.100 -1.027 0.000 0.936 917 R CB 0.112 30.027 30.300 -0.641 0.000 1.006 917 R HN 0.293 nan 8.270 nan 0.000 0.452 918 W N 2.900 123.618 121.300 -0.970 0.000 2.689 918 W HA 0.383 5.056 4.660 0.021 0.000 0.340 918 W C -0.517 175.655 176.519 -0.578 0.000 1.060 918 W CA -0.730 56.033 57.345 -0.970 0.000 1.218 918 W CB 1.579 30.057 29.460 -1.637 0.000 1.410 918 W HN 0.415 nan 8.180 nan 0.000 0.528 919 D N 3.027 123.406 120.400 -0.035 0.000 2.593 919 D HA 0.596 5.249 4.640 0.021 0.000 0.251 919 D C -1.436 174.962 176.300 0.163 0.000 1.140 919 D CA -0.188 53.862 54.000 0.084 0.000 0.855 919 D CB 1.226 42.046 40.800 0.033 0.000 1.267 919 D HN 0.433 nan 8.370 nan 0.000 0.532 920 L N 3.394 124.770 121.223 0.256 0.000 2.518 920 L HA 0.402 4.755 4.340 0.021 0.000 0.257 920 L C -2.491 174.503 176.870 0.207 0.000 0.980 920 L CA -2.031 52.946 54.840 0.228 0.000 0.837 920 L CB 2.906 45.142 42.059 0.295 0.000 1.410 920 L HN 0.198 nan 8.230 nan 0.000 0.410 921 P HA 0.025 nan 4.420 nan 0.000 0.269 921 P C 0.529 177.912 177.300 0.139 0.000 1.215 921 P CA -0.281 62.896 63.100 0.129 0.000 0.780 921 P CB 0.803 32.557 31.700 0.090 0.000 0.898 922 L N 2.995 124.305 121.223 0.145 0.000 2.127 922 L HA -0.208 4.145 4.340 0.021 0.000 0.211 922 L C 2.466 179.386 176.870 0.083 0.000 1.089 922 L CA 2.286 57.198 54.840 0.119 0.000 0.757 922 L CB -1.314 40.827 42.059 0.137 0.000 0.899 922 L HN 0.443 nan 8.230 nan 0.000 0.434 923 S N -0.615 115.134 115.700 0.081 0.000 2.380 923 S HA -0.251 4.232 4.470 0.021 0.000 0.229 923 S C 1.639 176.301 174.600 0.103 0.000 1.043 923 S CA 1.925 60.175 58.200 0.084 0.000 1.038 923 S CB -0.522 62.717 63.200 0.065 0.000 0.872 923 S HN 0.604 nan 8.310 nan 0.000 0.456 924 D N 0.834 121.281 120.400 0.080 0.000 2.347 924 D HA 0.061 4.714 4.640 0.021 0.000 0.215 924 D C 1.448 177.767 176.300 0.031 0.000 0.976 924 D CA 0.522 54.554 54.000 0.053 0.000 0.884 924 D CB -0.171 40.662 40.800 0.055 0.000 0.915 924 D HN 0.456 nan 8.370 nan 0.000 0.526 925 M N -0.492 119.136 119.600 0.048 0.000 2.618 925 M HA 0.053 4.546 4.480 0.021 0.000 0.240 925 M C 0.140 176.468 176.300 0.048 0.000 1.123 925 M CA 0.063 55.358 55.300 -0.008 0.000 1.060 925 M CB -1.022 31.556 32.600 -0.035 0.000 1.535 925 M HN -0.018 nan 8.290 nan 0.000 0.507 926 Y N 0.481 120.761 120.300 -0.033 0.000 2.393 926 Y HA 0.467 5.030 4.550 0.022 0.000 0.341 926 Y C -0.697 175.163 175.900 -0.066 0.000 0.988 926 Y CA -0.772 57.325 58.100 -0.006 0.000 1.078 926 Y CB 1.312 39.835 38.460 0.105 0.000 1.203 926 Y HN -0.053 nan 8.280 nan 0.000 0.453 927 T N 8.142 122.288 114.554 -0.680 0.000 2.821 927 T HA 0.270 4.633 4.350 0.021 0.000 0.307 927 T C -2.803 171.119 174.700 -1.297 0.000 1.034 927 T CA -1.677 59.929 62.100 -0.823 0.000 0.953 927 T CB 0.889 69.376 68.868 -0.636 0.000 0.968 927 T HN 0.451 nan 8.240 nan 0.000 0.462 928 P HA 0.100 nan 4.420 nan 0.000 0.244 928 P C -0.922 176.189 177.300 -0.314 0.000 1.723 928 P CA -0.375 62.224 63.100 -0.834 0.000 1.110 928 P CB -0.791 30.704 31.700 -0.341 0.000 1.972 929 Y N 0.249 120.457 120.300 -0.154 0.000 2.436 929 Y HA -0.010 4.553 4.550 0.021 0.000 0.336 929 Y C 2.183 178.138 175.900 0.093 0.000 1.049 929 Y CA -0.396 57.739 58.100 0.058 0.000 1.294 929 Y CB 0.410 38.884 38.460 0.023 0.000 1.179 929 Y HN -0.057 nan 8.280 nan 0.000 0.520 930 V N 3.371 123.491 119.914 0.343 0.000 2.257 930 V HA -0.365 3.767 4.120 0.021 0.000 0.257 930 V C 0.840 177.101 176.094 0.278 0.000 1.077 930 V CA 1.864 64.344 62.300 0.301 0.000 1.063 930 V CB -0.548 31.497 31.823 0.369 0.000 0.664 930 V HN 0.682 nan 8.190 nan 0.000 0.450 931 F N 3.309 123.342 119.950 0.138 0.000 2.377 931 F HA 0.438 4.978 4.527 0.022 0.000 0.360 931 F C -2.086 173.736 175.800 0.035 0.000 1.147 931 F CA -3.315 54.706 58.000 0.035 0.000 1.170 931 F CB 0.339 39.255 39.000 -0.140 0.000 1.339 931 F HN 0.058 nan 8.300 nan 0.000 0.552 932 P HA 0.114 nan 4.420 nan 0.000 0.266 932 P C -0.866 176.162 177.300 -0.453 0.000 1.193 932 P CA 0.292 63.181 63.100 -0.352 0.000 0.770 932 P CB 0.988 32.513 31.700 -0.293 0.000 0.836 933 S N -0.264 115.350 115.700 -0.142 0.000 2.636 933 S HA 0.403 4.885 4.470 0.021 0.000 0.266 933 S C -0.882 173.714 174.600 -0.007 0.000 1.147 933 S CA -1.001 57.160 58.200 -0.065 0.000 0.815 933 S CB 0.582 63.764 63.200 -0.029 0.000 1.119 933 S HN 0.352 nan 8.310 nan 0.000 0.470 934 E N 1.264 121.468 120.200 0.007 0.000 2.608 934 E HA 0.325 4.688 4.350 0.021 0.000 0.259 934 E C -0.148 176.490 176.600 0.065 0.000 0.951 934 E CA 1.069 57.496 56.400 0.044 0.000 0.945 934 E CB -0.374 29.380 29.700 0.089 0.000 0.916 934 E HN 0.828 nan 8.360 nan 0.000 0.477 935 N N 1.981 120.755 118.700 0.125 0.000 2.961 935 N HA 0.573 5.326 4.740 0.021 0.000 0.245 935 N C 0.334 175.914 175.510 0.117 0.000 1.404 935 N CA -0.387 52.781 53.050 0.196 0.000 0.880 935 N CB 1.131 39.746 38.487 0.214 0.000 1.461 935 N HN 0.654 nan 8.380 nan 0.000 0.510 936 G N -0.569 108.274 108.800 0.070 0.000 2.424 936 G HA2 -0.201 3.772 3.960 0.021 0.000 0.207 936 G HA3 -0.201 3.772 3.960 0.021 0.000 0.207 936 G C -0.208 174.480 174.900 -0.353 0.000 1.061 936 G CA -0.216 44.809 45.100 -0.124 0.000 0.657 936 G HN 0.792 nan 8.290 nan 0.000 0.508 937 L N 1.351 122.271 121.223 -0.504 0.000 2.954 937 L HA 0.178 4.531 4.340 0.021 0.000 0.316 937 L C 0.528 176.860 176.870 -0.896 0.000 1.192 937 L CA 1.109 55.362 54.840 -0.979 0.000 0.863 937 L CB 0.251 41.212 42.059 -1.829 0.000 1.198 937 L HN 0.468 nan 8.230 nan 0.000 0.519 938 R N 3.033 122.920 120.500 -1.022 0.000 2.451 938 R HA 0.473 4.826 4.340 0.021 0.000 0.307 938 R C -0.755 175.156 176.300 -0.649 0.000 0.965 938 R CA -0.363 55.234 56.100 -0.839 0.000 0.865 938 R CB 1.211 30.790 30.300 -1.202 0.000 1.174 938 R HN 0.684 nan 8.270 nan 0.000 0.455 939 C N -0.037 119.043 119.300 -0.367 0.000 2.464 939 C HA 0.735 5.208 4.460 0.021 0.000 0.398 939 C C 1.496 176.431 174.990 -0.091 0.000 1.451 939 C CA -0.309 58.562 59.018 -0.244 0.000 1.986 939 C CB 0.839 28.467 27.740 -0.187 0.000 2.004 939 C HN 1.007 nan 8.230 nan 0.000 0.530 940 G N 1.301 110.048 108.800 -0.088 0.000 2.379 940 G HA2 -0.196 3.777 3.960 0.021 0.000 0.297 940 G HA3 -0.196 3.777 3.960 0.021 0.000 0.297 940 G C -0.018 174.880 174.900 -0.003 0.000 1.004 940 G CA 0.660 45.739 45.100 -0.037 0.000 0.921 940 G HN 0.860 nan 8.290 nan 0.000 0.511 941 T N 0.081 114.521 114.554 -0.190 0.000 2.851 941 T HA 0.415 4.778 4.350 0.021 0.000 0.298 941 T C 1.466 175.865 174.700 -0.501 0.000 0.977 941 T CA -0.344 61.619 62.100 -0.230 0.000 1.126 941 T CB 1.377 70.095 68.868 -0.249 0.000 0.916 941 T HN 0.229 nan 8.240 nan 0.000 0.529 942 R N 1.560 122.033 120.500 -0.046 0.000 2.225 942 R HA 0.229 4.582 4.340 0.021 0.000 0.194 942 R C 0.689 177.112 176.300 0.206 0.000 0.957 942 R CA 0.376 56.522 56.100 0.076 0.000 1.042 942 R CB 0.228 30.654 30.300 0.210 0.000 1.004 942 R HN 0.833 nan 8.270 nan 0.000 0.509 943 E N 0.192 120.527 120.200 0.225 0.000 2.352 943 E HA 0.383 4.746 4.350 0.021 0.000 0.280 943 E C -1.811 174.983 176.600 0.323 0.000 0.930 943 E CA -0.777 55.810 56.400 0.313 0.000 0.765 943 E CB 1.586 31.416 29.700 0.218 0.000 1.219 943 E HN -0.075 nan 8.360 nan 0.000 0.434 944 L N 3.161 124.598 121.223 0.356 0.000 2.436 944 L HA 0.631 4.983 4.340 0.021 0.000 0.268 944 L C -2.056 175.010 176.870 0.327 0.000 0.974 944 L CA -0.340 54.645 54.840 0.241 0.000 0.826 944 L CB 2.120 44.138 42.059 -0.070 0.000 1.291 944 L HN 0.580 nan 8.230 nan 0.000 0.406 945 N N 4.139 123.008 118.700 0.280 0.000 2.399 945 N HA 0.379 5.132 4.740 0.021 0.000 0.284 945 N C -2.047 173.687 175.510 0.373 0.000 1.025 945 N CA -0.240 52.989 53.050 0.297 0.000 0.885 945 N CB 2.039 40.642 38.487 0.194 0.000 1.339 945 N HN 0.612 nan 8.380 nan 0.000 0.487 946 Y N 1.267 121.741 120.300 0.291 0.000 2.421 946 Y HA 0.469 5.032 4.550 0.021 0.000 0.339 946 Y C 0.901 176.948 175.900 0.246 0.000 0.996 946 Y CA 0.166 58.414 58.100 0.247 0.000 1.046 946 Y CB 1.143 39.764 38.460 0.268 0.000 1.226 946 Y HN 0.812 nan 8.280 nan 0.000 0.445 947 G N 6.066 114.746 108.800 -0.199 0.000 2.634 947 G HA2 -0.308 3.665 3.960 0.021 0.000 0.309 947 G HA3 -0.308 3.665 3.960 0.021 0.000 0.309 947 G C -1.713 173.138 174.900 -0.080 0.000 1.265 947 G CA 0.214 45.200 45.100 -0.190 0.000 0.998 947 G HN 0.618 nan 8.290 nan 0.000 0.551 948 P HA 0.176 nan 4.420 nan 0.000 0.253 948 P C 0.029 177.140 177.300 -0.314 0.000 1.260 948 P CA 0.631 63.581 63.100 -0.251 0.000 0.800 948 P CB -0.001 31.469 31.700 -0.384 0.000 1.162 949 H N 0.347 119.388 119.070 -0.049 0.000 2.472 949 H HA 0.435 5.004 4.556 0.021 0.000 0.338 949 H C -0.294 174.828 175.328 -0.342 0.000 1.133 949 H CA -0.258 55.646 56.048 -0.240 0.000 1.216 949 H CB 2.106 31.598 29.762 -0.449 0.000 1.497 949 H HN 0.054 nan 8.280 nan 0.000 0.500 950 Q N 3.273 122.878 119.800 -0.325 0.000 2.290 950 Q HA 0.210 4.562 4.340 0.021 0.000 0.269 950 Q C -1.339 174.482 176.000 -0.299 0.000 1.016 950 Q CA -0.658 55.039 55.803 -0.178 0.000 0.754 950 Q CB 1.763 30.509 28.738 0.014 0.000 1.247 950 Q HN 0.590 nan 8.270 nan 0.000 0.451 951 W N 3.694 124.963 121.300 -0.052 0.000 2.520 951 W HA 0.593 5.266 4.660 0.022 0.000 0.323 951 W C -0.009 176.551 176.519 0.068 0.000 1.062 951 W CA -0.879 56.392 57.345 -0.123 0.000 1.215 951 W CB 1.735 30.926 29.460 -0.448 0.000 1.340 951 W HN 0.409 nan 8.180 nan 0.000 0.516 952 R N 1.034 121.739 120.500 0.341 0.000 2.533 952 R HA 0.604 4.956 4.340 0.021 0.000 0.288 952 R C -0.073 176.459 176.300 0.387 0.000 1.039 952 R CA -0.208 56.124 56.100 0.387 0.000 0.909 952 R CB 2.014 32.468 30.300 0.256 0.000 1.195 952 R HN 0.800 nan 8.270 nan 0.000 0.438 953 G N 1.211 110.333 108.800 0.536 0.000 2.619 953 G HA2 0.086 4.059 3.960 0.021 0.000 0.146 953 G HA3 0.086 4.059 3.960 0.021 0.000 0.146 953 G C -1.724 173.387 174.900 0.353 0.000 1.192 953 G CA -0.294 45.056 45.100 0.417 0.000 1.063 953 G HN 0.474 nan 8.290 nan 0.000 0.538 954 D N -0.040 120.549 120.400 0.316 0.000 2.363 954 D HA 0.602 5.255 4.640 0.021 0.000 0.258 954 D C -0.654 175.680 176.300 0.057 0.000 1.259 954 D CA -0.594 53.456 54.000 0.084 0.000 0.921 954 D CB 0.196 41.043 40.800 0.077 0.000 1.201 954 D HN 0.467 nan 8.370 nan 0.000 0.524 955 F N -0.131 119.809 119.950 -0.017 0.000 2.726 955 F HA 0.670 5.210 4.527 0.021 0.000 0.324 955 F C -1.322 174.443 175.800 -0.057 0.000 1.140 955 F CA -1.103 56.827 58.000 -0.117 0.000 0.964 955 F CB 0.928 39.846 39.000 -0.137 0.000 1.399 955 F HN -0.061 nan 8.300 nan 0.000 0.491 956 Q N 1.736 121.552 119.800 0.026 0.000 2.365 956 Q HA 0.589 4.942 4.340 0.021 0.000 0.269 956 Q C -1.437 174.612 176.000 0.082 0.000 1.061 956 Q CA -0.486 55.255 55.803 -0.103 0.000 0.816 956 Q CB 2.762 31.338 28.738 -0.270 0.000 1.325 956 Q HN 0.871 nan 8.270 nan 0.000 0.446 957 F N -0.590 119.269 119.950 -0.151 0.000 2.706 957 F HA 0.834 5.374 4.527 0.022 0.000 0.328 957 F C -1.274 174.324 175.800 -0.337 0.000 1.123 957 F CA -1.015 56.862 58.000 -0.206 0.000 0.978 957 F CB 1.666 40.589 39.000 -0.129 0.000 1.404 957 F HN 0.616 nan 8.300 nan 0.000 0.497 958 N N 0.606 119.177 118.700 -0.214 0.000 2.598 958 N HA 0.618 5.371 4.740 0.021 0.000 0.263 958 N C -2.167 173.311 175.510 -0.052 0.000 1.254 958 N CA -0.678 52.225 53.050 -0.245 0.000 0.863 958 N CB 2.203 40.518 38.487 -0.288 0.000 1.586 958 N HN 1.178 nan 8.380 nan 0.000 0.491 959 I N 0.481 121.008 120.570 -0.072 0.000 2.690 959 I HA 0.600 4.783 4.170 0.021 0.000 0.286 959 I C -1.540 174.526 176.117 -0.086 0.000 1.313 959 I CA 0.174 61.411 61.300 -0.106 0.000 1.070 959 I CB 0.975 38.861 38.000 -0.189 0.000 1.323 959 I HN 1.030 nan 8.210 nan 0.000 0.432 960 S N 6.240 121.916 115.700 -0.040 0.000 2.727 960 S HA 0.588 5.071 4.470 0.021 0.000 0.278 960 S C -0.413 174.138 174.600 -0.082 0.000 1.186 960 S CA -1.040 57.129 58.200 -0.052 0.000 0.836 960 S CB 1.891 65.132 63.200 0.068 0.000 1.186 960 S HN 0.609 nan 8.310 nan 0.000 0.499 961 R N 0.489 120.779 120.500 -0.351 0.000 2.978 961 R HA 0.300 4.653 4.340 0.021 0.000 0.298 961 R C -1.262 174.688 176.300 -0.583 0.000 1.296 961 R CA 0.132 55.986 56.100 -0.409 0.000 1.181 961 R CB -1.223 28.738 30.300 -0.565 0.000 1.348 961 R HN 0.657 nan 8.270 nan 0.000 0.585 962 Y N -0.416 119.928 120.300 0.073 0.000 2.332 962 Y HA 0.143 4.706 4.550 0.021 0.000 0.325 962 Y C 0.358 176.015 175.900 -0.406 0.000 1.054 962 Y CA -1.051 56.966 58.100 -0.137 0.000 1.119 962 Y CB 1.650 39.992 38.460 -0.198 0.000 1.168 962 Y HN -0.018 nan 8.280 nan 0.000 0.439 963 S N 1.964 117.315 115.700 -0.580 0.000 2.601 963 S HA 0.104 4.587 4.470 0.021 0.000 0.271 963 S C 0.825 175.091 174.600 -0.557 0.000 1.305 963 S CA -0.757 56.720 58.200 -1.204 0.000 1.022 963 S CB 1.356 63.713 63.200 -1.404 0.000 0.940 963 S HN 0.747 nan 8.310 nan 0.000 0.525 964 Q N 0.990 120.485 119.800 -0.507 0.000 2.297 964 Q HA -0.223 4.130 4.340 0.021 0.000 0.208 964 Q C 1.978 177.848 176.000 -0.217 0.000 0.981 964 Q CA 1.655 57.298 55.803 -0.267 0.000 0.876 964 Q CB -0.352 28.266 28.738 -0.201 0.000 0.921 964 Q HN 0.949 nan 8.270 nan 0.000 0.446 965 Q N 0.775 120.410 119.800 -0.274 0.000 1.990 965 Q HA -0.192 4.160 4.340 0.021 0.000 0.200 965 Q C 2.165 178.081 176.000 -0.139 0.000 0.980 965 Q CA 1.315 57.018 55.803 -0.167 0.000 0.832 965 Q CB 0.015 28.675 28.738 -0.131 0.000 0.897 965 Q HN 0.348 nan 8.270 nan 0.000 0.427 966 Q N -0.047 119.659 119.800 -0.157 0.000 2.096 966 Q HA -0.238 4.115 4.340 0.021 0.000 0.208 966 Q C 2.134 178.051 176.000 -0.139 0.000 0.993 966 Q CA 1.953 57.684 55.803 -0.120 0.000 0.862 966 Q CB -0.198 28.461 28.738 -0.132 0.000 0.915 966 Q HN 0.460 nan 8.270 nan 0.000 0.416 967 L N -0.229 120.896 121.223 -0.163 0.000 2.046 967 L HA -0.190 4.163 4.340 0.021 0.000 0.208 967 L C 2.611 179.373 176.870 -0.181 0.000 1.077 967 L CA 1.090 55.824 54.840 -0.177 0.000 0.747 967 L CB -0.356 41.618 42.059 -0.142 0.000 0.896 967 L HN 0.366 nan 8.230 nan 0.000 0.432 968 M N 0.071 119.588 119.600 -0.138 0.000 2.629 968 M HA -0.158 4.335 4.480 0.021 0.000 0.257 968 M C 0.851 177.091 176.300 -0.101 0.000 1.071 968 M CA 1.471 56.702 55.300 -0.115 0.000 1.077 968 M CB 0.033 32.566 32.600 -0.113 0.000 1.423 968 M HN 0.317 nan 8.290 nan 0.000 0.508 969 E N -1.858 118.283 120.200 -0.099 0.000 2.714 969 E HA 0.190 4.553 4.350 0.021 0.000 0.219 969 E C -0.571 176.000 176.600 -0.049 0.000 0.979 969 E CA -0.219 56.146 56.400 -0.058 0.000 1.092 969 E CB 0.555 30.234 29.700 -0.035 0.000 1.049 969 E HN 0.121 nan 8.360 nan 0.000 0.487 970 T N 0.983 115.479 114.554 -0.097 0.000 2.809 970 T HA 0.152 4.514 4.350 0.021 0.000 0.284 970 T C 1.047 175.687 174.700 -0.101 0.000 0.992 970 T CA -0.407 61.653 62.100 -0.067 0.000 0.957 970 T CB 1.758 70.572 68.868 -0.090 0.000 0.942 970 T HN 0.149 nan 8.240 nan 0.000 0.439 971 S N 2.612 118.343 115.700 0.053 0.000 2.345 971 S HA -0.071 4.412 4.470 0.021 0.000 0.220 971 S C 0.476 175.081 174.600 0.007 0.000 1.031 971 S CA 0.807 59.082 58.200 0.125 0.000 0.996 971 S CB -0.508 62.901 63.200 0.348 0.000 0.882 971 S HN 0.758 nan 8.310 nan 0.000 0.445 972 H N 1.167 120.310 119.070 0.121 0.000 2.472 972 H HA 0.566 5.135 4.556 0.021 0.000 0.338 972 H C 1.234 176.644 175.328 0.138 0.000 1.133 972 H CA -0.633 55.526 56.048 0.186 0.000 1.216 972 H CB 1.091 30.976 29.762 0.204 0.000 1.497 972 H HN 0.337 nan 8.280 nan 0.000 0.500 973 R N 1.557 122.197 120.500 0.234 0.000 2.193 973 R HA -0.147 4.205 4.340 0.021 0.000 0.229 973 R C 0.771 177.170 176.300 0.165 0.000 1.110 973 R CA 1.450 57.631 56.100 0.136 0.000 0.988 973 R CB -0.366 30.022 30.300 0.147 0.000 0.871 973 R HN 0.731 nan 8.270 nan 0.000 0.458 974 H N 0.659 119.760 119.070 0.052 0.000 2.556 974 H HA 0.097 4.665 4.556 0.021 0.000 0.268 974 H C 1.038 176.309 175.328 -0.095 0.000 0.996 974 H CA 0.228 56.261 56.048 -0.025 0.000 1.157 974 H CB -0.147 29.594 29.762 -0.036 0.000 1.355 974 H HN 0.338 nan 8.280 nan 0.000 0.597 975 L N 0.399 121.566 121.223 -0.093 0.000 2.693 975 L HA 0.284 4.637 4.340 0.021 0.000 0.235 975 L C 0.192 177.018 176.870 -0.074 0.000 1.127 975 L CA -0.180 54.535 54.840 -0.207 0.000 0.914 975 L CB 0.385 42.339 42.059 -0.176 0.000 1.193 975 L HN 0.042 nan 8.230 nan 0.000 0.502 976 L N 1.799 122.969 121.223 -0.087 0.000 2.331 976 L HA 0.191 4.544 4.340 0.021 0.000 0.278 976 L C 0.191 177.088 176.870 0.045 0.000 1.106 976 L CA -0.203 54.557 54.840 -0.134 0.000 0.824 976 L CB 0.375 42.133 42.059 -0.502 0.000 1.142 976 L HN 0.180 nan 8.230 nan 0.000 0.443 977 H N 2.611 121.737 119.070 0.094 0.000 2.489 977 H HA 0.587 5.155 4.556 0.021 0.000 0.343 977 H C -0.697 174.750 175.328 0.197 0.000 1.086 977 H CA -1.222 54.893 56.048 0.111 0.000 1.198 977 H CB 1.441 31.222 29.762 0.031 0.000 1.490 977 H HN 0.653 nan 8.280 nan 0.000 0.504 978 A N 4.647 127.515 122.820 0.080 0.000 2.491 978 A HA 0.099 4.432 4.320 0.021 0.000 0.261 978 A C 0.424 177.967 177.584 -0.069 0.000 1.101 978 A CA -0.434 51.488 52.037 -0.191 0.000 0.772 978 A CB -0.269 18.576 19.000 -0.258 0.000 1.043 978 A HN 0.859 nan 8.150 nan 0.000 0.501 979 E N 1.774 121.907 120.200 -0.112 0.000 2.416 979 E HA 0.101 4.463 4.350 0.021 0.000 0.254 979 E C 0.122 176.726 176.600 0.007 0.000 1.241 979 E CA -0.474 55.961 56.400 0.059 0.000 0.969 979 E CB 0.621 30.447 29.700 0.209 0.000 0.999 979 E HN 0.760 nan 8.360 nan 0.000 0.481 980 E N 0.588 120.794 120.200 0.010 0.000 2.259 980 E HA 0.285 4.648 4.350 0.021 0.000 0.281 980 E C 0.174 176.691 176.600 -0.139 0.000 1.037 980 E CA 0.329 56.699 56.400 -0.050 0.000 0.854 980 E CB 0.406 30.089 29.700 -0.030 0.000 1.051 980 E HN 0.672 nan 8.360 nan 0.000 0.409 981 G N 3.192 111.916 108.800 -0.127 0.000 2.698 981 G HA2 -0.202 3.770 3.960 0.021 0.000 0.225 981 G HA3 -0.202 3.770 3.960 0.021 0.000 0.225 981 G C -0.642 174.143 174.900 -0.193 0.000 1.345 981 G CA -0.305 44.699 45.100 -0.160 0.000 0.871 981 G HN 0.605 nan 8.290 nan 0.000 0.540 982 T N -0.198 114.247 114.554 -0.182 0.000 2.797 982 T HA 0.543 4.906 4.350 0.021 0.000 0.279 982 T C -0.543 173.984 174.700 -0.287 0.000 0.991 982 T CA -0.108 61.894 62.100 -0.164 0.000 0.979 982 T CB 1.542 70.383 68.868 -0.045 0.000 0.943 982 T HN 0.555 nan 8.240 nan 0.000 0.444 983 W N 3.018 124.219 121.300 -0.165 0.000 2.335 983 W HA 0.594 5.267 4.660 0.022 0.000 0.307 983 W C -0.405 175.986 176.519 -0.214 0.000 1.117 983 W CA -0.850 56.399 57.345 -0.161 0.000 1.228 983 W CB 0.963 30.343 29.460 -0.133 0.000 1.240 983 W HN 0.436 nan 8.180 nan 0.000 0.468 984 L N 5.675 126.946 121.223 0.080 0.000 2.362 984 L HA 0.558 4.911 4.340 0.021 0.000 0.275 984 L C -1.068 175.728 176.870 -0.123 0.000 0.998 984 L CA -0.408 54.345 54.840 -0.145 0.000 0.820 984 L CB 1.110 42.925 42.059 -0.408 0.000 1.270 984 L HN 0.316 nan 8.230 nan 0.000 0.415 985 N N 6.580 125.181 118.700 -0.165 0.000 2.399 985 N HA 0.491 5.244 4.740 0.021 0.000 0.284 985 N C -1.318 174.068 175.510 -0.206 0.000 1.025 985 N CA -0.212 52.737 53.050 -0.169 0.000 0.885 985 N CB 2.496 40.906 38.487 -0.129 0.000 1.339 985 N HN 0.577 nan 8.380 nan 0.000 0.487 986 I N 1.987 122.396 120.570 -0.268 0.000 2.437 986 I HA 0.167 4.350 4.170 0.021 0.000 0.279 986 I C -0.773 175.180 176.117 -0.272 0.000 1.028 986 I CA -0.613 60.507 61.300 -0.301 0.000 1.142 986 I CB 1.131 38.786 38.000 -0.575 0.000 1.266 986 I HN 0.181 nan 8.210 nan 0.000 0.461 987 D N 4.620 124.894 120.400 -0.210 0.000 2.177 987 D HA 0.214 4.867 4.640 0.021 0.000 0.247 987 D C 1.083 177.064 176.300 -0.532 0.000 1.063 987 D CA -0.133 53.661 54.000 -0.343 0.000 0.867 987 D CB 2.383 43.071 40.800 -0.187 0.000 1.168 987 D HN 0.641 nan 8.370 nan 0.000 0.445 988 G N 1.337 109.477 108.800 -1.101 0.000 2.403 988 G HA2 -0.045 3.928 3.960 0.021 0.000 0.216 988 G HA3 -0.045 3.928 3.960 0.021 0.000 0.216 988 G C 0.093 174.101 174.900 -1.487 0.000 1.154 988 G CA 0.600 44.768 45.100 -1.553 0.000 0.784 988 G HN 0.404 nan 8.290 nan 0.000 0.538 989 F N -2.339 117.398 119.950 -0.354 0.000 2.619 989 F HA 0.601 5.141 4.527 0.021 0.000 0.308 989 F C -0.543 175.156 175.800 -0.167 0.000 1.097 989 F CA -1.250 56.629 58.000 -0.202 0.000 0.953 989 F CB 1.884 40.740 39.000 -0.240 0.000 1.287 989 F HN -0.002 nan 8.300 nan 0.000 0.446 990 H N 1.732 120.817 119.070 0.025 0.000 2.717 990 H HA 0.583 5.152 4.556 0.021 0.000 0.366 990 H C -0.854 174.485 175.328 0.019 0.000 1.132 990 H CA -0.955 55.070 56.048 -0.037 0.000 1.180 990 H CB 1.970 31.683 29.762 -0.082 0.000 1.678 990 H HN 0.786 nan 8.280 nan 0.000 0.537 991 M N 3.437 122.957 119.600 -0.133 0.000 2.250 991 M HA 0.365 4.858 4.480 0.021 0.000 0.344 991 M C 0.185 176.583 176.300 0.162 0.000 1.150 991 M CA -0.152 55.141 55.300 -0.011 0.000 1.147 991 M CB 0.562 33.052 32.600 -0.184 0.000 1.498 991 M HN 0.803 nan 8.290 nan 0.000 0.461 992 G N 3.258 112.145 108.800 0.145 0.000 2.664 992 G HA2 0.268 4.241 3.960 0.021 0.000 0.242 992 G HA3 0.268 4.241 3.960 0.021 0.000 0.242 992 G C 0.647 175.534 174.900 -0.022 0.000 1.225 992 G CA -0.478 44.646 45.100 0.039 0.000 0.849 992 G HN 0.993 nan 8.290 nan 0.000 0.581 993 I N -0.961 119.554 120.570 -0.091 0.000 3.427 993 I HA 0.349 4.532 4.170 0.021 0.000 0.288 993 I C 1.285 177.335 176.117 -0.113 0.000 1.249 993 I CA 0.476 61.688 61.300 -0.146 0.000 1.421 993 I CB -0.685 37.148 38.000 -0.279 0.000 1.086 993 I HN 0.875 nan 8.210 nan 0.000 0.448 994 G N 1.990 110.740 108.800 -0.082 0.000 2.598 994 G HA2 -0.053 3.920 3.960 0.021 0.000 0.269 994 G HA3 -0.053 3.920 3.960 0.021 0.000 0.269 994 G C 0.613 175.501 174.900 -0.021 0.000 1.289 994 G CA 0.331 45.419 45.100 -0.020 0.000 0.926 994 G HN 1.590 nan 8.290 nan 0.000 0.567 995 G N -2.379 106.428 108.800 0.012 0.000 2.188 995 G HA2 0.142 4.115 3.960 0.021 0.000 0.112 995 G HA3 0.142 4.115 3.960 0.021 0.000 0.112 995 G C 0.256 175.219 174.900 0.105 0.000 1.048 995 G CA 0.923 46.035 45.100 0.021 0.000 0.720 995 G HN 0.891 nan 8.290 nan 0.000 0.487 996 D N 0.942 121.410 120.400 0.114 0.000 2.194 996 D HA 0.123 4.776 4.640 0.021 0.000 0.204 996 D C 1.008 177.404 176.300 0.161 0.000 0.964 996 D CA 1.779 55.916 54.000 0.228 0.000 0.846 996 D CB 0.336 41.264 40.800 0.213 0.000 0.962 996 D HN 0.738 nan 8.370 nan 0.000 0.490 997 D N -2.092 118.185 120.400 -0.204 0.000 2.602 997 D HA 0.214 4.867 4.640 0.021 0.000 0.236 997 D C -0.611 175.200 176.300 -0.816 0.000 1.209 997 D CA -0.524 52.902 54.000 -0.958 0.000 0.831 997 D CB 1.597 41.419 40.800 -1.630 0.000 1.478 997 D HN -0.317 nan 8.370 nan 0.000 0.438 998 S N -0.108 114.960 115.700 -1.053 0.000 2.575 998 S HA 0.148 4.630 4.470 0.021 0.000 0.237 998 S C -0.128 174.513 174.600 0.067 0.000 0.975 998 S CA -0.670 57.408 58.200 -0.202 0.000 0.960 998 S CB -0.360 63.029 63.200 0.316 0.000 0.822 998 S HN 0.602 nan 8.310 nan 0.000 0.472 999 W N 1.293 122.567 121.300 -0.043 0.000 2.075 999 W HA 0.672 5.344 4.660 0.020 0.000 0.332 999 W C -0.112 176.370 176.519 -0.061 0.000 0.905 999 W CA -0.655 56.654 57.345 -0.061 0.000 2.126 999 W CB -0.502 28.837 29.460 -0.202 0.000 1.143 999 W HN 0.124 nan 8.180 nan 0.000 0.542 1000 S N -0.564 115.046 115.700 -0.150 0.000 2.597 1000 S HA 0.512 4.995 4.470 0.021 0.000 0.274 1000 S C -3.188 171.363 174.600 -0.082 0.000 1.132 1000 S CA -1.242 56.905 58.200 -0.088 0.000 0.835 1000 S CB 0.943 64.102 63.200 -0.069 0.000 1.092 1000 S HN -0.167 nan 8.310 nan 0.000 0.457 1001 P HA 0.240 nan 4.420 nan 0.000 0.262 1001 P C 0.231 177.572 177.300 0.069 0.000 1.199 1001 P CA -0.079 63.063 63.100 0.071 0.000 0.763 1001 P CB 0.619 32.309 31.700 -0.016 0.000 0.790 1002 S N 0.552 116.313 115.700 0.102 0.000 2.603 1002 S HA 0.133 4.616 4.470 0.021 0.000 0.232 1002 S C 0.455 175.130 174.600 0.126 0.000 1.016 1002 S CA -0.331 57.914 58.200 0.075 0.000 0.976 1002 S CB 0.006 63.215 63.200 0.015 0.000 0.921 1002 S HN 0.179 nan 8.310 nan 0.000 0.516 1003 V N 2.987 123.020 119.914 0.199 0.000 2.389 1003 V HA 0.354 4.487 4.120 0.021 0.000 0.264 1003 V C 0.595 176.847 176.094 0.264 0.000 1.049 1003 V CA -0.402 62.022 62.300 0.207 0.000 0.932 1003 V CB 0.875 32.781 31.823 0.138 0.000 1.011 1003 V HN 0.444 nan 8.190 nan 0.000 0.475 1004 S N 4.335 120.202 115.700 0.278 0.000 2.549 1004 S HA 0.321 4.804 4.470 0.021 0.000 0.283 1004 S C 1.603 176.341 174.600 0.229 0.000 1.320 1004 S CA 0.094 58.454 58.200 0.266 0.000 1.058 1004 S CB 1.107 64.515 63.200 0.346 0.000 0.882 1004 S HN 0.990 nan 8.310 nan 0.000 0.498 1005 A N 4.482 127.377 122.820 0.125 0.000 1.896 1005 A HA -0.220 4.113 4.320 0.021 0.000 0.220 1005 A C 2.056 179.605 177.584 -0.059 0.000 1.206 1005 A CA 2.176 54.245 52.037 0.052 0.000 0.647 1005 A CB -0.981 18.030 19.000 0.019 0.000 0.828 1005 A HN 1.010 nan 8.150 nan 0.000 0.455 1006 E N -0.600 119.483 120.200 -0.195 0.000 2.393 1006 E HA -0.194 4.169 4.350 0.021 0.000 0.201 1006 E C 1.124 177.318 176.600 -0.676 0.000 1.025 1006 E CA 1.292 57.411 56.400 -0.468 0.000 0.856 1006 E CB -0.524 28.818 29.700 -0.596 0.000 0.771 1006 E HN 0.732 nan 8.360 nan 0.000 0.526 1007 F N 0.908 120.882 119.950 0.040 0.000 2.678 1007 F HA 0.245 4.784 4.527 0.021 0.000 0.305 1007 F C 1.037 176.843 175.800 0.011 0.000 1.090 1007 F CA -0.501 57.523 58.000 0.040 0.000 1.272 1007 F CB 0.504 39.534 39.000 0.051 0.000 1.060 1007 F HN -0.191 nan 8.300 nan 0.000 0.576 1008 Q N 1.370 121.232 119.800 0.105 0.000 2.235 1008 Q HA 0.355 4.708 4.340 0.021 0.000 0.250 1008 Q C -0.151 175.815 176.000 -0.057 0.000 0.909 1008 Q CA -0.563 55.263 55.803 0.039 0.000 0.910 1008 Q CB 2.034 30.828 28.738 0.094 0.000 1.223 1008 Q HN 0.286 nan 8.270 nan 0.000 0.432 1009 L N 2.411 123.616 121.223 -0.030 0.000 2.416 1009 L HA -0.003 4.349 4.340 0.021 0.000 0.243 1009 L C 1.281 178.179 176.870 0.047 0.000 1.373 1009 L CA -0.030 54.783 54.840 -0.044 0.000 1.227 1009 L CB -0.626 41.301 42.059 -0.220 0.000 1.428 1009 L HN 0.713 nan 8.230 nan 0.000 0.425 1010 S N -0.498 115.131 115.700 -0.119 0.000 2.458 1010 S HA -0.017 4.466 4.470 0.021 0.000 0.223 1010 S C 2.170 176.817 174.600 0.078 0.000 1.019 1010 S CA 0.346 58.413 58.200 -0.220 0.000 0.937 1010 S CB 0.126 63.041 63.200 -0.475 0.000 0.788 1010 S HN 0.505 nan 8.310 nan 0.000 0.511 1011 A N 1.892 124.740 122.820 0.048 0.000 2.009 1011 A HA 0.154 4.486 4.320 0.021 0.000 0.222 1011 A C 2.308 179.793 177.584 -0.165 0.000 1.175 1011 A CA 2.169 54.085 52.037 -0.203 0.000 0.651 1011 A CB -1.723 16.901 19.000 -0.627 0.000 0.815 1011 A HN 1.639 nan 8.150 nan 0.000 0.459 1012 G N -2.132 106.692 108.800 0.041 0.000 2.347 1012 G HA2 -0.318 3.655 3.960 0.021 0.000 0.247 1012 G HA3 -0.318 3.655 3.960 0.021 0.000 0.247 1012 G C 0.456 175.364 174.900 0.013 0.000 1.037 1012 G CA 0.698 45.861 45.100 0.105 0.000 0.622 1012 G HN 0.765 nan 8.290 nan 0.000 0.521 1013 R N -0.565 119.757 120.500 -0.296 0.000 2.513 1013 R HA 0.639 4.992 4.340 0.021 0.000 0.301 1013 R C -1.534 174.416 176.300 -0.582 0.000 0.968 1013 R CA -0.607 55.359 56.100 -0.223 0.000 0.872 1013 R CB 1.328 31.574 30.300 -0.090 0.000 1.177 1013 R HN 0.212 nan 8.270 nan 0.000 0.444 1014 Y N 0.799 121.170 120.300 0.119 0.000 2.391 1014 Y HA 0.303 4.866 4.550 0.021 0.000 0.341 1014 Y C -0.274 175.895 175.900 0.448 0.000 0.965 1014 Y CA -0.883 57.328 58.100 0.184 0.000 1.067 1014 Y CB 1.899 40.398 38.460 0.065 0.000 1.199 1014 Y HN 0.564 nan 8.280 nan 0.000 0.450 1015 H N 3.334 122.754 119.070 0.584 0.000 2.538 1015 H HA 0.618 5.187 4.556 0.021 0.000 0.353 1015 H C -1.605 174.044 175.328 0.535 0.000 1.109 1015 H CA -1.065 55.243 56.048 0.433 0.000 1.192 1015 H CB 1.108 31.020 29.762 0.249 0.000 1.555 1015 H HN 0.607 nan 8.280 nan 0.000 0.518 1016 Y N 1.192 121.159 120.300 -0.555 0.000 2.609 1016 Y HA 0.553 5.116 4.550 0.021 0.000 0.336 1016 Y C -1.945 173.712 175.900 -0.405 0.000 1.129 1016 Y CA -0.996 56.880 58.100 -0.374 0.000 1.040 1016 Y CB 1.503 39.830 38.460 -0.222 0.000 1.310 1016 Y HN 0.617 nan 8.280 nan 0.000 0.460 1017 Q N 2.826 122.580 119.800 -0.076 0.000 2.315 1017 Q HA 0.683 5.036 4.340 0.021 0.000 0.273 1017 Q C -1.961 174.091 176.000 0.086 0.000 1.053 1017 Q CA -0.928 54.842 55.803 -0.053 0.000 0.817 1017 Q CB 3.430 32.186 28.738 0.031 0.000 1.326 1017 Q HN 0.765 nan 8.270 nan 0.000 0.423 1018 L N 0.995 122.250 121.223 0.054 0.000 2.371 1018 L HA 0.705 5.058 4.340 0.021 0.000 0.262 1018 L C -1.114 175.844 176.870 0.147 0.000 1.006 1018 L CA -0.879 54.028 54.840 0.111 0.000 0.818 1018 L CB 2.525 44.643 42.059 0.098 0.000 1.354 1018 L HN 0.331 nan 8.230 nan 0.000 0.415 1019 V N 0.752 120.782 119.914 0.194 0.000 2.447 1019 V HA 0.356 4.489 4.120 0.021 0.000 0.292 1019 V C -1.275 174.970 176.094 0.252 0.000 1.021 1019 V CA -0.483 61.942 62.300 0.208 0.000 0.850 1019 V CB 1.732 33.654 31.823 0.165 0.000 1.005 1019 V HN 0.611 nan 8.190 nan 0.000 0.426 1020 W N 6.290 127.612 121.300 0.037 0.000 2.496 1020 W HA 0.741 5.414 4.660 0.022 0.000 0.327 1020 W C -0.063 176.404 176.519 -0.086 0.000 1.086 1020 W CA -0.900 56.362 57.345 -0.140 0.000 1.222 1020 W CB 1.662 31.094 29.460 -0.047 0.000 1.304 1020 W HN 0.841 nan 8.180 nan 0.000 0.547 1021 C N 2.351 121.865 119.300 0.358 0.000 3.251 1021 C HA 0.671 5.144 4.460 0.021 0.000 0.376 1021 C C -0.890 174.179 174.990 0.132 0.000 1.791 1021 C CA -0.887 58.250 59.018 0.199 0.000 1.163 1021 C CB 1.500 29.311 27.740 0.119 0.000 2.128 1021 C HN 0.491 nan 8.230 nan 0.000 0.429 1022 Q N 0.588 120.415 119.800 0.045 0.000 2.365 1022 Q HA 0.619 4.972 4.340 0.021 0.000 0.269 1022 Q C -0.595 175.386 176.000 -0.032 0.000 1.061 1022 Q CA -0.234 55.543 55.803 -0.044 0.000 0.816 1022 Q CB 1.665 30.362 28.738 -0.068 0.000 1.325 1022 Q HN 0.534 nan 8.270 nan 0.000 0.446 1023 K N 0.000 120.362 120.400 -0.063 0.000 2.780 1023 K HA 0.000 4.333 4.320 0.021 0.000 0.191 1023 K CA 0.000 56.265 56.287 -0.037 0.000 0.838 1023 K CB 0.000 32.479 32.500 -0.036 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543