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 1bgm_1_P DATA FIRST_RESID 3 DATA SEQUENCE ITDSLAVVLQ RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR DATA SEQUENCE SLNGEWRFAW FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN DATA SEQUENCE VTYPITVNPP FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL DATA SEQUENCE WCNGRWVGYG QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM DATA SEQUENCE WRMSGIFRDV SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD DATA SEQUENCE YLRVTVSLWQ GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS DATA SEQUENCE AEIPNLYRAV VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR DATA SEQUENCE GVNRHEHHPL HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DATA SEQUENCE DRYGLYVVDE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS DATA SEQUENCE VIIWSLGNES GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM DATA SEQUENCE YARVDEDQPF PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY DATA SEQUENCE WQAFRQYPRL QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC DATA SEQUENCE MNGLVFADRT PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL DATA SEQUENCE HWMVALDGKP LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ DATA SEQUENCE PNATAWSEAG HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG DATA SEQUENCE NKRWQFNRQS GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID DATA SEQUENCE PNAWVERWKA AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS DATA SEQUENCE RKTYRIDGSG QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP DATA SEQUENCE QENYPDRLTA ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR DATA SEQUENCE GDFQFNISRY SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS DATA SEQUENCE VSAEFQLSAG 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 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.143 176.117 0.043 0.000 1.063 3 I CA 0.000 61.322 61.300 0.036 0.000 1.566 3 I CB 0.000 38.011 38.000 0.018 0.000 1.214 4 T N -0.623 113.958 114.554 0.045 0.000 2.653 4 T HA -0.188 4.162 4.350 -0.000 0.000 0.268 4 T C 1.083 175.821 174.700 0.063 0.000 1.035 4 T CA 2.094 64.213 62.100 0.032 0.000 1.154 4 T CB -1.001 67.889 68.868 0.037 0.000 0.862 4 T HN 0.438 nan 8.240 nan 0.000 0.441 5 D N 2.372 122.868 120.400 0.160 0.000 2.400 5 D HA 0.066 4.706 4.640 -0.000 0.000 0.242 5 D C 0.809 177.337 176.300 0.379 0.000 1.077 5 D CA 0.420 54.623 54.000 0.339 0.000 0.943 5 D CB -0.495 40.538 40.800 0.389 0.000 0.882 5 D HN 0.640 nan 8.370 nan 0.000 0.529 6 S N -0.036 115.761 115.700 0.162 0.000 2.554 6 S HA 0.163 4.633 4.470 -0.000 0.000 0.278 6 S C 1.260 175.898 174.600 0.063 0.000 1.242 6 S CA -0.858 57.385 58.200 0.072 0.000 1.051 6 S CB 1.243 64.456 63.200 0.022 0.000 0.986 6 S HN -0.188 nan 8.310 nan 0.000 0.502 7 L N 4.512 125.738 121.223 0.006 0.000 1.976 7 L HA -0.135 4.205 4.340 -0.000 0.000 0.223 7 L C 3.098 179.987 176.870 0.032 0.000 1.081 7 L CA 2.677 57.532 54.840 0.027 0.000 0.784 7 L CB -2.207 39.835 42.059 -0.028 0.000 0.896 7 L HN 0.987 nan 8.230 nan 0.000 0.438 8 A N -0.545 122.282 122.820 0.012 0.000 1.906 8 A HA -0.297 4.023 4.320 -0.000 0.000 0.222 8 A C 2.284 179.866 177.584 -0.002 0.000 1.282 8 A CA 3.483 55.527 52.037 0.013 0.000 0.675 8 A CB -1.409 17.593 19.000 0.003 0.000 0.838 8 A HN 0.306 nan 8.150 nan 0.000 0.469 9 V N -0.871 119.028 119.914 -0.025 0.000 2.222 9 V HA -0.257 3.863 4.120 -0.000 0.000 0.240 9 V C 2.356 178.369 176.094 -0.135 0.000 1.040 9 V CA 1.937 64.195 62.300 -0.069 0.000 0.988 9 V CB -1.705 30.076 31.823 -0.070 0.000 0.633 9 V HN 0.353 nan 8.190 nan 0.000 0.452 10 V N 1.086 120.873 119.914 -0.212 0.000 2.257 10 V HA -0.347 3.773 4.120 -0.000 0.000 0.257 10 V C 2.406 178.352 176.094 -0.246 0.000 1.077 10 V CA 2.686 64.720 62.300 -0.444 0.000 1.063 10 V CB -0.994 30.494 31.823 -0.559 0.000 0.664 10 V HN 0.549 nan 8.190 nan 0.000 0.450 11 L N -0.366 120.848 121.223 -0.014 0.000 2.549 11 L HA -0.146 4.194 4.340 -0.000 0.000 0.229 11 L C 2.451 179.352 176.870 0.051 0.000 1.158 11 L CA 1.157 56.099 54.840 0.171 0.000 0.842 11 L CB -0.751 41.507 42.059 0.331 0.000 0.952 11 L HN 0.397 nan 8.230 nan 0.000 0.452 12 Q N 1.427 121.200 119.800 -0.045 0.000 2.084 12 Q HA -0.187 4.153 4.340 -0.000 0.000 0.202 12 Q C 2.260 178.180 176.000 -0.133 0.000 0.978 12 Q CA 1.658 57.425 55.803 -0.060 0.000 0.844 12 Q CB -0.014 28.683 28.738 -0.069 0.000 0.898 12 Q HN 0.394 nan 8.270 nan 0.000 0.426 13 R N 0.191 120.564 120.500 -0.212 0.000 2.096 13 R HA -0.040 4.300 4.340 -0.000 0.000 0.240 13 R C 0.126 176.172 176.300 -0.424 0.000 1.139 13 R CA 1.258 57.187 56.100 -0.285 0.000 0.952 13 R CB -0.467 29.643 30.300 -0.316 0.000 0.854 13 R HN 0.183 nan 8.270 nan 0.000 0.436 14 R N 0.809 120.871 120.500 -0.729 0.000 3.076 14 R HA -0.140 4.200 4.340 -0.000 0.000 0.261 14 R C -0.702 174.856 176.300 -1.236 0.000 0.930 14 R CA 0.347 55.548 56.100 -1.500 0.000 0.649 14 R CB -1.467 28.375 30.300 -0.764 0.000 1.350 14 R HN 0.431 nan 8.270 nan 0.000 0.453 15 D N 0.201 119.955 120.400 -1.077 0.000 2.224 15 D HA -0.117 4.523 4.640 -0.000 0.000 0.205 15 D C 1.668 177.780 176.300 -0.313 0.000 0.965 15 D CA 1.561 55.175 54.000 -0.643 0.000 0.852 15 D CB -0.060 40.261 40.800 -0.799 0.000 0.947 15 D HN 0.688 nan 8.370 nan 0.000 0.494 16 W N 1.783 123.154 121.300 0.119 0.000 2.961 16 W HA 0.127 4.787 4.660 -0.000 0.000 0.240 16 W C 0.508 177.139 176.519 0.186 0.000 1.305 16 W CA -0.092 57.391 57.345 0.231 0.000 1.465 16 W CB -0.472 29.137 29.460 0.248 0.000 1.135 16 W HN -0.180 nan 8.180 nan 0.000 0.688 17 E N 1.060 121.150 120.200 -0.184 0.000 3.167 17 E HA 0.074 4.424 4.350 -0.000 0.000 0.210 17 E C -0.602 175.885 176.600 -0.187 0.000 1.004 17 E CA -0.163 56.202 56.400 -0.058 0.000 1.256 17 E CB -0.290 29.412 29.700 0.002 0.000 1.193 17 E HN 0.031 nan 8.360 nan 0.000 0.448 18 N N 1.234 119.835 118.700 -0.165 0.000 2.594 18 N HA 0.146 4.886 4.740 -0.000 0.000 0.280 18 N C -2.266 173.079 175.510 -0.274 0.000 1.156 18 N CA -1.862 51.043 53.050 -0.241 0.000 0.831 18 N CB 1.735 40.081 38.487 -0.235 0.000 1.379 18 N HN -0.157 nan 8.380 nan 0.000 0.536 19 P HA -0.050 nan 4.420 nan 0.000 0.216 19 P C 1.266 178.297 177.300 -0.449 0.000 1.150 19 P CA 1.138 63.796 63.100 -0.738 0.000 0.837 19 P CB 0.250 31.008 31.700 -1.570 0.000 0.786 20 G N 0.090 108.670 108.800 -0.366 0.000 2.421 20 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.216 20 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.216 20 G C 0.403 175.210 174.900 -0.155 0.000 1.171 20 G CA 0.440 45.395 45.100 -0.241 0.000 0.775 20 G HN 0.231 nan 8.290 nan 0.000 0.543 21 V N 1.352 121.183 119.914 -0.138 0.000 2.432 21 V HA 0.484 4.604 4.120 -0.000 0.000 0.271 21 V C 0.906 177.037 176.094 0.062 0.000 1.046 21 V CA 0.617 62.884 62.300 -0.055 0.000 0.945 21 V CB 0.979 32.730 31.823 -0.121 0.000 0.992 21 V HN 0.390 nan 8.190 nan 0.000 0.471 22 T N 0.780 115.402 114.554 0.114 0.000 3.328 22 T HA 0.447 4.797 4.350 -0.000 0.000 0.305 22 T C -0.132 174.641 174.700 0.121 0.000 0.939 22 T CA 0.241 62.419 62.100 0.130 0.000 0.950 22 T CB 0.144 69.030 68.868 0.030 0.000 1.182 22 T HN 0.947 nan 8.240 nan 0.000 0.545 23 Q N 0.135 120.070 119.800 0.225 0.000 3.044 23 Q HA 0.647 4.987 4.340 -0.000 0.000 0.299 23 Q C -2.724 173.429 176.000 0.255 0.000 0.896 23 Q CA -1.087 54.823 55.803 0.179 0.000 0.802 23 Q CB 0.214 28.949 28.738 -0.005 0.000 1.649 23 Q HN 0.115 nan 8.270 nan 0.000 0.483 24 L N 2.519 123.873 121.223 0.219 0.000 2.737 24 L HA 0.521 4.861 4.340 -0.000 0.000 0.261 24 L C -0.895 176.046 176.870 0.119 0.000 0.949 24 L CA 0.070 55.031 54.840 0.203 0.000 0.952 24 L CB 1.414 43.696 42.059 0.372 0.000 1.337 24 L HN 0.868 nan 8.230 nan 0.000 0.430 25 N N 1.012 119.731 118.700 0.031 0.000 2.800 25 N HA -0.227 4.513 4.740 -0.000 0.000 0.250 25 N C 0.568 175.989 175.510 -0.149 0.000 1.078 25 N CA 0.850 53.901 53.050 0.001 0.000 0.804 25 N CB -0.641 37.862 38.487 0.027 0.000 1.135 25 N HN 0.680 nan 8.380 nan 0.000 0.565 26 R N 1.664 121.983 120.500 -0.302 0.000 2.401 26 R HA 0.232 4.572 4.340 -0.000 0.000 0.299 26 R C 0.737 176.839 176.300 -0.331 0.000 1.064 26 R CA -0.248 55.476 56.100 -0.626 0.000 1.000 26 R CB 0.437 30.398 30.300 -0.565 0.000 0.973 26 R HN 0.113 nan 8.270 nan 0.000 0.438 27 L N 3.333 124.372 121.223 -0.306 0.000 2.482 27 L HA 0.135 4.475 4.340 -0.000 0.000 0.273 27 L C 0.891 177.727 176.870 -0.057 0.000 1.228 27 L CA -0.119 54.659 54.840 -0.102 0.000 0.827 27 L CB 0.313 42.365 42.059 -0.013 0.000 1.099 27 L HN 0.784 nan 8.230 nan 0.000 0.494 28 A N 1.639 124.470 122.820 0.019 0.000 2.287 28 A HA 0.614 4.934 4.320 -0.000 0.000 0.273 28 A C 0.291 177.962 177.584 0.145 0.000 1.091 28 A CA -0.028 52.037 52.037 0.046 0.000 0.817 28 A CB 0.561 19.594 19.000 0.055 0.000 1.069 28 A HN 0.844 nan 8.150 nan 0.000 0.492 29 A N 0.094 122.955 122.820 0.069 0.000 2.327 29 A HA 0.693 5.013 4.320 -0.000 0.000 0.255 29 A C 0.144 177.790 177.584 0.102 0.000 1.099 29 A CA 0.757 52.781 52.037 -0.022 0.000 0.801 29 A CB -0.141 18.794 19.000 -0.108 0.000 1.062 29 A HN 2.226 nan 8.150 nan 0.000 0.496 30 H N -3.829 115.192 119.070 -0.082 0.000 2.884 30 H HA 0.419 4.975 4.556 -0.000 0.000 0.251 30 H C -3.403 171.727 175.328 -0.329 0.000 1.419 30 H CA -1.252 54.713 56.048 -0.137 0.000 1.201 30 H CB -0.298 29.406 29.762 -0.095 0.000 1.795 30 H HN 0.437 nan 8.280 nan 0.000 0.438 31 P HA 0.224 nan 4.420 nan 0.000 0.274 31 P C -2.591 174.395 177.300 -0.523 0.000 1.237 31 P CA -1.424 61.450 63.100 -0.378 0.000 0.793 31 P CB -0.343 31.187 31.700 -0.283 0.000 0.977 32 P HA 0.025 nan 4.420 nan 0.000 0.260 32 P C -0.877 176.481 177.300 0.097 0.000 1.172 32 P CA 1.034 64.089 63.100 -0.076 0.000 0.760 32 P CB -0.168 31.564 31.700 0.054 0.000 0.773 33 F N 1.488 121.592 119.950 0.258 0.000 2.520 33 F HA 0.574 5.101 4.527 -0.000 0.000 0.322 33 F C 1.007 176.854 175.800 0.078 0.000 1.103 33 F CA -1.090 57.031 58.000 0.201 0.000 0.926 33 F CB 1.272 40.354 39.000 0.136 0.000 1.154 33 F HN 0.277 nan 8.300 nan 0.000 0.453 34 A N 1.298 124.252 122.820 0.224 0.000 2.179 34 A HA 0.456 4.776 4.320 -0.000 0.000 0.224 34 A C 0.832 178.336 177.584 -0.133 0.000 1.759 34 A CA 1.011 52.944 52.037 -0.174 0.000 0.688 34 A CB -0.381 18.052 19.000 -0.945 0.000 1.342 34 A HN 0.942 nan 8.150 nan 0.000 0.543 35 S N -2.539 113.115 115.700 -0.076 0.000 2.873 35 S HA -0.070 4.400 4.470 -0.000 0.000 0.234 35 S C -0.531 174.102 174.600 0.055 0.000 1.454 35 S CA -0.188 57.992 58.200 -0.034 0.000 0.833 35 S CB -1.693 61.443 63.200 -0.108 0.000 1.064 35 S HN 0.491 nan 8.310 nan 0.000 0.803 36 W N 2.397 123.713 121.300 0.027 0.000 2.456 36 W HA 0.074 4.734 4.660 -0.000 0.000 0.343 36 W C 1.311 177.839 176.519 0.014 0.000 1.211 36 W CA 0.305 57.671 57.345 0.034 0.000 1.353 36 W CB 0.089 29.572 29.460 0.038 0.000 1.189 36 W HN 0.302 nan 8.180 nan 0.000 0.587 37 R N 1.547 122.217 120.500 0.283 0.000 2.629 37 R HA 0.089 4.429 4.340 -0.000 0.000 0.386 37 R C -0.406 175.991 176.300 0.162 0.000 1.071 37 R CA -0.292 55.909 56.100 0.167 0.000 1.104 37 R CB 0.124 30.495 30.300 0.118 0.000 1.370 37 R HN 0.326 nan 8.270 nan 0.000 0.574 38 N N -0.033 118.796 118.700 0.216 0.000 2.406 38 N HA 0.008 4.748 4.740 -0.000 0.000 0.283 38 N C 0.628 176.173 175.510 0.058 0.000 1.074 38 N CA -0.086 53.043 53.050 0.133 0.000 0.916 38 N CB 1.720 40.287 38.487 0.133 0.000 1.639 38 N HN -0.076 nan 8.380 nan 0.000 0.485 39 S N 2.916 118.617 115.700 0.002 0.000 2.380 39 S HA -0.195 4.275 4.470 -0.000 0.000 0.217 39 S C 1.298 175.809 174.600 -0.149 0.000 1.036 39 S CA 1.432 59.595 58.200 -0.061 0.000 1.050 39 S CB -0.821 62.368 63.200 -0.018 0.000 1.016 39 S HN 0.718 nan 8.310 nan 0.000 0.419 40 E N 1.301 121.436 120.200 -0.110 0.000 2.119 40 E HA -0.264 4.086 4.350 -0.000 0.000 0.221 40 E C 2.308 178.781 176.600 -0.212 0.000 1.062 40 E CA 1.970 58.275 56.400 -0.160 0.000 0.894 40 E CB -0.369 29.244 29.700 -0.145 0.000 0.785 40 E HN 0.596 nan 8.360 nan 0.000 0.472 41 E N -0.515 119.622 120.200 -0.106 0.000 2.172 41 E HA -0.338 4.012 4.350 -0.000 0.000 0.213 41 E C 2.011 178.264 176.600 -0.578 0.000 1.051 41 E CA 1.454 57.849 56.400 -0.007 0.000 0.860 41 E CB -0.262 29.669 29.700 0.384 0.000 0.755 41 E HN 0.354 nan 8.360 nan 0.000 0.462 42 A N 1.047 122.956 122.820 -1.519 0.000 1.968 42 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 42 A C 2.079 179.019 177.584 -1.073 0.000 1.169 42 A CA 1.284 51.803 52.037 -2.531 0.000 0.638 42 A CB -0.386 17.473 19.000 -1.903 0.000 0.812 42 A HN 0.152 nan 8.150 nan 0.000 0.446 43 R N 0.235 120.374 120.500 -0.601 0.000 2.083 43 R HA -0.142 4.198 4.340 -0.000 0.000 0.237 43 R C 1.859 177.986 176.300 -0.288 0.000 1.137 43 R CA 2.206 58.072 56.100 -0.389 0.000 0.951 43 R CB -0.581 29.447 30.300 -0.453 0.000 0.851 43 R HN 0.516 nan 8.270 nan 0.000 0.434 44 T N -2.202 112.210 114.554 -0.237 0.000 3.188 44 T HA 0.065 4.415 4.350 -0.000 0.000 0.250 44 T C 0.363 175.050 174.700 -0.021 0.000 1.077 44 T CA 0.378 62.407 62.100 -0.118 0.000 0.967 44 T CB 0.105 68.917 68.868 -0.093 0.000 1.006 44 T HN 0.406 nan 8.240 nan 0.000 0.552 45 D N 1.141 121.527 120.400 -0.023 0.000 3.059 45 D HA -0.169 4.471 4.640 -0.000 0.000 0.220 45 D C 0.305 176.805 176.300 0.334 0.000 1.169 45 D CA 0.512 54.624 54.000 0.186 0.000 0.902 45 D CB -0.748 40.168 40.800 0.193 0.000 1.116 45 D HN 0.593 nan 8.370 nan 0.000 0.417 46 R N -0.243 120.422 120.500 0.275 0.000 3.026 46 R HA 0.178 4.518 4.340 -0.000 0.000 0.284 46 R C -2.029 174.536 176.300 0.442 0.000 1.013 46 R CA -0.259 56.022 56.100 0.301 0.000 1.188 46 R CB -0.902 29.550 30.300 0.254 0.000 1.151 46 R HN 0.213 nan 8.270 nan 0.000 0.514 47 P HA 0.113 nan 4.420 nan 0.000 0.281 47 P C -0.698 176.577 177.300 -0.043 0.000 1.264 47 P CA -0.459 62.708 63.100 0.112 0.000 0.824 47 P CB 1.032 32.776 31.700 0.074 0.000 1.092 48 S N 0.068 115.608 115.700 -0.267 0.000 2.482 48 S HA 0.182 4.652 4.470 -0.000 0.000 0.303 48 S C 0.826 175.349 174.600 -0.128 0.000 1.091 48 S CA -0.574 57.391 58.200 -0.392 0.000 1.057 48 S CB 1.019 63.748 63.200 -0.785 0.000 1.031 48 S HN 0.357 nan 8.310 nan 0.000 0.485 49 Q N 2.171 121.952 119.800 -0.031 0.000 2.435 49 Q HA -0.012 4.328 4.340 -0.000 0.000 0.207 49 Q C 0.419 176.565 176.000 0.243 0.000 0.956 49 Q CA 0.672 56.531 55.803 0.092 0.000 0.917 49 Q CB -0.348 28.457 28.738 0.112 0.000 0.997 49 Q HN 0.711 nan 8.270 nan 0.000 0.497 50 Q N 0.243 120.127 119.800 0.141 0.000 2.403 50 Q HA 0.166 4.506 4.340 -0.000 0.000 0.203 50 Q C -0.406 175.713 176.000 0.198 0.000 0.932 50 Q CA 0.242 56.157 55.803 0.186 0.000 0.945 50 Q CB 0.412 29.137 28.738 -0.022 0.000 1.045 50 Q HN 0.091 nan 8.270 nan 0.000 0.511 51 L N 0.867 122.181 121.223 0.152 0.000 2.319 51 L HA 0.457 4.797 4.340 -0.000 0.000 0.281 51 L C -0.995 175.954 176.870 0.131 0.000 1.005 51 L CA -0.321 54.586 54.840 0.111 0.000 0.828 51 L CB 1.044 43.092 42.059 -0.019 0.000 1.227 51 L HN -0.063 nan 8.230 nan 0.000 0.415 52 R N 2.157 122.751 120.500 0.157 0.000 2.670 52 R HA 0.529 4.869 4.340 -0.000 0.000 0.289 52 R C -0.883 175.435 176.300 0.030 0.000 0.965 52 R CA -0.602 55.542 56.100 0.074 0.000 0.899 52 R CB 2.311 32.627 30.300 0.027 0.000 1.173 52 R HN 0.642 nan 8.270 nan 0.000 0.456 53 S N 2.439 118.144 115.700 0.009 0.000 2.525 53 S HA 0.361 4.831 4.470 -0.000 0.000 0.290 53 S C 0.759 175.365 174.600 0.009 0.000 1.152 53 S CA -0.630 57.577 58.200 0.011 0.000 1.072 53 S CB 0.683 63.899 63.200 0.027 0.000 1.027 53 S HN 0.544 nan 8.310 nan 0.000 0.500 54 L N 3.388 124.636 121.223 0.042 0.000 2.766 54 L HA 0.269 4.609 4.340 -0.000 0.000 0.242 54 L C -0.022 177.103 176.870 0.425 0.000 1.136 54 L CA -0.124 54.799 54.840 0.139 0.000 0.933 54 L CB -0.278 41.837 42.059 0.094 0.000 1.241 54 L HN 0.577 nan 8.230 nan 0.000 0.522 55 N N 2.632 121.456 118.700 0.206 0.000 2.406 55 N HA 0.294 5.034 4.740 -0.000 0.000 0.269 55 N C 0.424 176.050 175.510 0.193 0.000 1.210 55 N CA 0.350 53.482 53.050 0.137 0.000 0.966 55 N CB 1.357 39.856 38.487 0.020 0.000 1.293 55 N HN 0.269 nan 8.380 nan 0.000 0.491 56 G N 0.677 109.682 108.800 0.343 0.000 2.578 56 G HA2 0.157 4.117 3.960 -0.000 0.000 0.302 56 G HA3 0.157 4.117 3.960 -0.000 0.000 0.302 56 G C -1.336 173.835 174.900 0.451 0.000 1.243 56 G CA -0.686 44.599 45.100 0.309 0.000 0.843 56 G HN 0.301 nan 8.290 nan 0.000 0.486 57 E N 0.269 120.662 120.200 0.322 0.000 2.220 57 E HA 0.263 4.613 4.350 -0.000 0.000 0.272 57 E C -1.016 175.830 176.600 0.411 0.000 1.099 57 E CA 0.130 56.707 56.400 0.295 0.000 0.907 57 E CB 0.602 30.397 29.700 0.159 0.000 1.022 57 E HN 0.297 nan 8.360 nan 0.000 0.428 58 W N 2.026 123.371 121.300 0.074 0.000 2.762 58 W HA 0.397 5.057 4.660 -0.000 0.000 0.355 58 W C 0.457 177.022 176.519 0.076 0.000 1.124 58 W CA -0.750 56.660 57.345 0.107 0.000 1.141 58 W CB 0.710 30.268 29.460 0.162 0.000 1.432 58 W HN 0.264 nan 8.180 nan 0.000 0.586 59 R N 0.919 121.630 120.500 0.351 0.000 2.549 59 R HA 0.706 5.046 4.340 -0.000 0.000 0.267 59 R C -1.221 175.205 176.300 0.211 0.000 1.045 59 R CA -0.724 55.515 56.100 0.233 0.000 1.115 59 R CB 1.319 31.727 30.300 0.179 0.000 1.121 59 R HN 0.426 nan 8.270 nan 0.000 0.543 60 F N -0.793 119.113 119.950 -0.073 0.000 2.685 60 F HA 0.596 5.123 4.527 -0.000 0.000 0.315 60 F C -1.716 173.968 175.800 -0.193 0.000 1.126 60 F CA -0.685 57.164 58.000 -0.253 0.000 0.950 60 F CB 2.216 40.931 39.000 -0.475 0.000 1.360 60 F HN 0.595 nan 8.300 nan 0.000 0.469 61 A N 3.243 124.907 122.820 -1.926 0.000 2.475 61 A HA 0.314 4.634 4.320 -0.000 0.000 0.300 61 A C -1.999 174.940 177.584 -1.075 0.000 1.089 61 A CA -0.402 51.038 52.037 -0.994 0.000 0.948 61 A CB -0.638 18.111 19.000 -0.418 0.000 1.508 61 A HN 0.933 nan 8.150 nan 0.000 0.385 62 W N 2.852 123.573 121.300 -0.965 0.000 2.158 62 W HA 0.635 5.295 4.660 -0.000 0.000 0.339 62 W C -1.239 174.985 176.519 -0.493 0.000 1.294 62 W CA 0.801 57.809 57.345 -0.561 0.000 1.231 62 W CB 0.465 29.810 29.460 -0.190 0.000 1.143 62 W HN 0.464 nan 8.180 nan 0.000 0.571 63 F N 5.483 124.820 119.950 -1.023 0.000 2.608 63 F HA 0.252 4.779 4.527 -0.000 0.000 0.309 63 F C -1.409 173.451 175.800 -1.567 0.000 1.103 63 F CA -2.263 55.245 58.000 -0.820 0.000 0.954 63 F CB 1.740 40.418 39.000 -0.537 0.000 1.267 63 F HN 0.186 nan 8.300 nan 0.000 0.444 64 P HA 0.143 nan 4.420 nan 0.000 0.233 64 P C -0.284 176.955 177.300 -0.102 0.000 1.167 64 P CA 0.870 63.852 63.100 -0.196 0.000 0.770 64 P CB 0.741 32.591 31.700 0.251 0.000 0.837 65 A N -0.892 121.848 122.820 -0.132 0.000 2.597 65 A HA 0.525 4.845 4.320 -0.000 0.000 0.292 65 A C -2.521 174.975 177.584 -0.146 0.000 1.057 65 A CA -0.931 51.048 52.037 -0.097 0.000 0.674 65 A CB 0.432 19.429 19.000 -0.006 0.000 1.278 65 A HN -0.296 nan 8.150 nan 0.000 0.416 66 P HA -0.086 nan 4.420 nan 0.000 0.215 66 P C 0.799 178.018 177.300 -0.134 0.000 1.157 66 P CA 1.682 64.651 63.100 -0.218 0.000 0.859 66 P CB -0.073 31.454 31.700 -0.288 0.000 0.786 67 E N 0.126 120.297 120.200 -0.049 0.000 2.448 67 E HA -0.118 4.232 4.350 -0.000 0.000 0.203 67 E C 1.614 178.216 176.600 0.003 0.000 1.046 67 E CA 1.057 57.463 56.400 0.011 0.000 0.871 67 E CB -0.621 29.109 29.700 0.049 0.000 0.790 67 E HN 0.253 nan 8.360 nan 0.000 0.545 68 A N 1.153 123.965 122.820 -0.012 0.000 2.220 68 A HA 0.154 4.474 4.320 -0.000 0.000 0.211 68 A C 1.100 178.676 177.584 -0.014 0.000 1.176 68 A CA -0.257 51.825 52.037 0.075 0.000 0.834 68 A CB 0.365 19.487 19.000 0.204 0.000 0.868 68 A HN 0.047 nan 8.150 nan 0.000 0.488 69 V N 2.067 121.769 119.914 -0.353 0.000 2.811 69 V HA 0.251 4.371 4.120 -0.000 0.000 0.302 69 V C -2.337 173.635 176.094 -0.203 0.000 1.063 69 V CA -1.198 60.699 62.300 -0.672 0.000 1.088 69 V CB 0.573 31.866 31.823 -0.884 0.000 0.982 69 V HN 0.337 nan 8.190 nan 0.000 0.485 70 P HA 0.430 nan 4.420 nan 0.000 0.301 70 P C 0.243 177.555 177.300 0.020 0.000 1.337 70 P CA -0.684 62.425 63.100 0.016 0.000 0.889 70 P CB 2.026 33.779 31.700 0.089 0.000 1.050 71 E N 1.582 121.769 120.200 -0.022 0.000 2.136 71 E HA -0.242 4.108 4.350 -0.000 0.000 0.202 71 E C 1.795 178.338 176.600 -0.096 0.000 1.019 71 E CA 2.684 59.039 56.400 -0.074 0.000 0.819 71 E CB -0.503 29.163 29.700 -0.058 0.000 0.739 71 E HN 0.485 nan 8.360 nan 0.000 0.458 72 S N -0.128 115.554 115.700 -0.031 0.000 2.372 72 S HA -0.280 4.190 4.470 -0.000 0.000 0.227 72 S C 1.668 176.229 174.600 -0.065 0.000 1.044 72 S CA 1.319 59.502 58.200 -0.029 0.000 1.050 72 S CB -1.164 62.053 63.200 0.028 0.000 0.901 72 S HN 0.577 nan 8.310 nan 0.000 0.447 73 W N 2.577 123.806 121.300 -0.119 0.000 2.292 73 W HA -0.202 4.458 4.660 -0.000 0.000 0.304 73 W C 1.784 178.193 176.519 -0.183 0.000 1.228 73 W CA 1.198 58.459 57.345 -0.140 0.000 1.241 73 W CB -0.812 28.538 29.460 -0.183 0.000 1.142 73 W HN 0.281 nan 8.180 nan 0.000 0.520 74 L N -0.084 120.721 121.223 -0.696 0.000 2.081 74 L HA -0.250 4.090 4.340 -0.000 0.000 0.212 74 L C 2.538 179.053 176.870 -0.591 0.000 1.080 74 L CA 1.907 56.234 54.840 -0.856 0.000 0.754 74 L CB -0.523 41.166 42.059 -0.616 0.000 0.893 74 L HN 0.051 nan 8.230 nan 0.000 0.433 75 E N -2.024 117.958 120.200 -0.364 0.000 2.288 75 E HA 0.106 4.456 4.350 -0.000 0.000 0.200 75 E C 0.327 176.831 176.600 -0.160 0.000 0.880 75 E CA 0.230 56.502 56.400 -0.214 0.000 0.971 75 E CB 0.418 30.042 29.700 -0.127 0.000 0.954 75 E HN 0.310 nan 8.360 nan 0.000 0.489 76 C N 2.331 121.561 119.300 -0.118 0.000 2.391 76 C HA 0.357 4.817 4.460 -0.000 0.000 0.339 76 C C 0.609 175.621 174.990 0.037 0.000 1.205 76 C CA -1.148 57.847 59.018 -0.037 0.000 1.937 76 C CB 1.293 29.028 27.740 -0.008 0.000 2.341 76 C HN 0.298 nan 8.230 nan 0.000 0.516 77 D N 0.692 121.135 120.400 0.072 0.000 2.354 77 D HA 0.200 4.840 4.640 -0.000 0.000 0.238 77 D C -0.523 175.881 176.300 0.173 0.000 1.250 77 D CA 0.394 54.493 54.000 0.164 0.000 0.911 77 D CB 0.607 41.478 40.800 0.119 0.000 1.163 77 D HN 0.391 nan 8.370 nan 0.000 0.456 78 L N 2.093 123.425 121.223 0.182 0.000 2.309 78 L HA 0.232 4.572 4.340 -0.000 0.000 0.282 78 L C -1.170 175.744 176.870 0.073 0.000 1.036 78 L CA -1.635 53.278 54.840 0.122 0.000 0.806 78 L CB 1.494 43.625 42.059 0.120 0.000 1.220 78 L HN 0.294 nan 8.230 nan 0.000 0.429 79 P HA -0.163 nan 4.420 nan 0.000 0.215 79 P C 0.564 177.882 177.300 0.029 0.000 1.157 79 P CA 1.276 64.398 63.100 0.037 0.000 0.863 79 P CB 0.175 31.892 31.700 0.030 0.000 0.787 80 E N -0.228 119.985 120.200 0.020 0.000 2.416 80 E HA 0.347 4.697 4.350 -0.000 0.000 0.189 80 E C 0.600 177.206 176.600 0.010 0.000 1.091 80 E CA -0.230 56.173 56.400 0.006 0.000 0.889 80 E CB -0.542 29.148 29.700 -0.017 0.000 1.015 80 E HN 0.200 nan 8.360 nan 0.000 0.479 81 A N 1.338 124.174 122.820 0.026 0.000 2.316 81 A HA 0.266 4.586 4.320 -0.000 0.000 0.284 81 A C -0.389 177.237 177.584 0.070 0.000 1.115 81 A CA -0.707 51.349 52.037 0.031 0.000 0.812 81 A CB 0.524 19.549 19.000 0.041 0.000 1.064 81 A HN 0.064 nan 8.150 nan 0.000 0.489 82 D N 1.134 121.602 120.400 0.113 0.000 2.198 82 D HA 0.378 5.018 4.640 -0.000 0.000 0.247 82 D C -0.429 175.952 176.300 0.134 0.000 1.010 82 D CA 0.006 54.087 54.000 0.135 0.000 0.880 82 D CB 1.467 42.383 40.800 0.193 0.000 1.209 82 D HN 0.422 nan 8.370 nan 0.000 0.451 83 T N 0.987 115.600 114.554 0.098 0.000 2.851 83 T HA 0.396 4.746 4.350 -0.000 0.000 0.298 83 T C 0.362 175.106 174.700 0.073 0.000 0.977 83 T CA -0.318 61.841 62.100 0.099 0.000 1.126 83 T CB 0.880 69.793 68.868 0.075 0.000 0.916 83 T HN 0.072 nan 8.240 nan 0.000 0.529 84 V N 2.797 122.766 119.914 0.092 0.000 3.167 84 V HA 0.560 4.680 4.120 -0.000 0.000 0.310 84 V C -0.459 175.690 176.094 0.092 0.000 1.207 84 V CA -0.898 61.422 62.300 0.034 0.000 1.059 84 V CB 2.495 34.299 31.823 -0.031 0.000 1.079 84 V HN 0.610 nan 8.190 nan 0.000 0.446 85 V N 1.217 121.180 119.914 0.083 0.000 2.483 85 V HA 0.607 4.727 4.120 -0.000 0.000 0.295 85 V C -0.560 175.526 176.094 -0.014 0.000 1.035 85 V CA -0.473 61.869 62.300 0.070 0.000 0.896 85 V CB 1.771 33.632 31.823 0.063 0.000 0.986 85 V HN 0.534 nan 8.190 nan 0.000 0.447 86 V N 7.104 126.942 119.914 -0.128 0.000 2.540 86 V HA 0.502 4.622 4.120 -0.000 0.000 0.302 86 V C -2.257 173.716 176.094 -0.201 0.000 1.035 86 V CA -1.784 60.340 62.300 -0.292 0.000 0.873 86 V CB 2.692 33.999 31.823 -0.859 0.000 0.992 86 V HN 0.751 nan 8.190 nan 0.000 0.428 87 P HA 0.452 nan 4.420 nan 0.000 0.276 87 P C -0.837 176.403 177.300 -0.101 0.000 1.252 87 P CA -0.163 62.850 63.100 -0.146 0.000 0.802 87 P CB 1.353 32.989 31.700 -0.108 0.000 1.035 88 S N -0.335 115.327 115.700 -0.062 0.000 2.597 88 S HA 0.358 4.828 4.470 -0.000 0.000 0.274 88 S C -1.545 173.013 174.600 -0.070 0.000 1.132 88 S CA -0.959 57.178 58.200 -0.106 0.000 0.835 88 S CB 0.158 63.291 63.200 -0.113 0.000 1.092 88 S HN 0.324 nan 8.310 nan 0.000 0.457 89 N N 1.362 119.953 118.700 -0.182 0.000 2.419 89 N HA 0.447 5.187 4.740 -0.000 0.000 0.277 89 N C 0.425 175.839 175.510 -0.160 0.000 1.006 89 N CA -0.653 52.286 53.050 -0.185 0.000 0.923 89 N CB 0.677 39.006 38.487 -0.264 0.000 1.140 89 N HN 0.839 nan 8.380 nan 0.000 0.488 90 W N 2.608 123.824 121.300 -0.140 0.000 2.632 90 W HA -0.029 4.631 4.660 -0.000 0.000 0.248 90 W C 0.526 177.080 176.519 0.059 0.000 1.259 90 W CA 0.615 57.896 57.345 -0.106 0.000 1.288 90 W CB -0.311 28.995 29.460 -0.258 0.000 1.136 90 W HN 0.545 nan 8.180 nan 0.000 0.640 91 Q N -0.044 119.781 119.800 0.042 0.000 2.302 91 Q HA 0.005 4.345 4.340 -0.000 0.000 0.202 91 Q C 1.867 177.835 176.000 -0.053 0.000 0.936 91 Q CA 1.010 56.816 55.803 0.004 0.000 0.886 91 Q CB -0.511 28.102 28.738 -0.209 0.000 0.986 91 Q HN 0.122 nan 8.270 nan 0.000 0.487 92 M N -0.303 119.215 119.600 -0.138 0.000 2.686 92 M HA -0.018 4.462 4.480 -0.000 0.000 0.246 92 M C 0.016 176.317 176.300 0.002 0.000 1.096 92 M CA 1.118 56.323 55.300 -0.158 0.000 1.076 92 M CB -0.210 32.216 32.600 -0.290 0.000 1.504 92 M HN 0.230 nan 8.290 nan 0.000 0.524 93 H N -2.127 116.993 119.070 0.083 0.000 2.637 93 H HA 0.382 4.939 4.556 -0.000 0.000 0.245 93 H C 1.280 176.529 175.328 -0.132 0.000 1.190 93 H CA -0.046 56.045 56.048 0.073 0.000 0.934 93 H CB 0.370 30.296 29.762 0.274 0.000 1.950 93 H HN 0.383 nan 8.280 nan 0.000 0.614 94 G N 0.786 109.608 108.800 0.037 0.000 2.216 94 G HA2 -0.469 3.491 3.960 -0.000 0.000 0.269 94 G HA3 -0.469 3.491 3.960 -0.000 0.000 0.269 94 G C 0.701 175.516 174.900 -0.142 0.000 0.981 94 G CA 1.350 46.395 45.100 -0.092 0.000 0.658 94 G HN 0.513 nan 8.290 nan 0.000 0.539 95 Y N 1.717 122.035 120.300 0.029 0.000 2.151 95 Y HA 0.162 4.712 4.550 -0.000 0.000 0.284 95 Y C 1.694 177.447 175.900 -0.244 0.000 1.166 95 Y CA 1.380 59.395 58.100 -0.142 0.000 1.163 95 Y CB -0.336 38.037 38.460 -0.145 0.000 0.974 95 Y HN 0.654 nan 8.280 nan 0.000 0.511 96 D N -1.991 118.576 120.400 0.278 0.000 2.596 96 D HA 0.554 5.194 4.640 -0.000 0.000 0.262 96 D C -1.154 175.216 176.300 0.116 0.000 1.210 96 D CA -0.941 53.193 54.000 0.223 0.000 0.873 96 D CB 1.021 42.065 40.800 0.407 0.000 1.408 96 D HN 0.068 nan 8.370 nan 0.000 0.441 97 A N 0.244 123.118 122.820 0.089 0.000 2.320 97 A HA 0.611 4.931 4.320 -0.000 0.000 0.287 97 A C -2.346 175.171 177.584 -0.111 0.000 1.181 97 A CA -1.239 50.809 52.037 0.017 0.000 0.831 97 A CB -0.037 19.042 19.000 0.132 0.000 1.102 97 A HN 0.439 nan 8.150 nan 0.000 0.513 98 P HA 0.232 nan 4.420 nan 0.000 0.276 98 P C -0.341 176.815 177.300 -0.241 0.000 1.253 98 P CA 0.281 63.069 63.100 -0.520 0.000 0.766 98 P CB 0.372 31.380 31.700 -1.153 0.000 0.845 99 I N 3.004 123.630 120.570 0.093 0.000 2.764 99 I HA 0.220 4.390 4.170 -0.000 0.000 0.294 99 I C -0.028 176.524 176.117 0.724 0.000 1.045 99 I CA -0.552 60.962 61.300 0.357 0.000 1.340 99 I CB 0.508 38.694 38.000 0.310 0.000 1.436 99 I HN 0.338 nan 8.210 nan 0.000 0.567 100 Y N 3.830 124.450 120.300 0.533 0.000 2.445 100 Y HA 0.358 4.908 4.550 -0.000 0.000 0.332 100 Y C -0.512 175.455 175.900 0.112 0.000 1.037 100 Y CA -0.584 57.679 58.100 0.271 0.000 1.296 100 Y CB 0.837 39.148 38.460 -0.248 0.000 1.099 100 Y HN 0.680 nan 8.280 nan 0.000 0.496 101 T N 0.961 115.197 114.554 -0.530 0.000 2.927 101 T HA 0.366 4.716 4.350 -0.000 0.000 0.286 101 T C 0.262 174.421 174.700 -0.903 0.000 1.040 101 T CA -0.761 60.977 62.100 -0.603 0.000 1.010 101 T CB 2.419 71.142 68.868 -0.242 0.000 1.177 101 T HN 0.677 nan 8.240 nan 0.000 0.546 102 N N -0.955 117.353 118.700 -0.654 0.000 2.523 102 N HA 0.131 4.871 4.740 -0.000 0.000 0.209 102 N C 1.063 176.290 175.510 -0.473 0.000 1.039 102 N CA 0.165 52.892 53.050 -0.539 0.000 1.002 102 N CB 0.421 38.613 38.487 -0.492 0.000 1.270 102 N HN 0.319 nan 8.380 nan 0.000 0.481 103 V N 0.349 119.952 119.914 -0.518 0.000 3.204 103 V HA 0.130 4.250 4.120 -0.000 0.000 0.218 103 V C 0.245 176.080 176.094 -0.433 0.000 1.159 103 V CA 0.301 62.247 62.300 -0.591 0.000 1.282 103 V CB -0.010 31.346 31.823 -0.778 0.000 1.225 103 V HN 0.283 nan 8.190 nan 0.000 0.509 104 T N 1.701 116.065 114.554 -0.318 0.000 2.723 104 T HA -0.114 4.236 4.350 -0.000 0.000 0.260 104 T C -0.572 174.032 174.700 -0.160 0.000 1.019 104 T CA 0.793 62.779 62.100 -0.189 0.000 1.155 104 T CB -0.550 68.248 68.868 -0.116 0.000 1.024 104 T HN 0.199 nan 8.240 nan 0.000 0.491 105 Y N 5.416 125.640 120.300 -0.126 0.000 2.526 105 Y HA 0.150 4.700 4.550 -0.000 0.000 0.330 105 Y C -0.913 174.890 175.900 -0.162 0.000 1.156 105 Y CA -1.932 56.080 58.100 -0.147 0.000 1.419 105 Y CB 0.320 38.657 38.460 -0.205 0.000 1.250 105 Y HN 0.558 nan 8.280 nan 0.000 0.540 106 P HA -0.199 nan 4.420 nan 0.000 0.217 106 P C 0.277 177.421 177.300 -0.260 0.000 1.151 106 P CA 1.495 64.582 63.100 -0.022 0.000 0.849 106 P CB 0.258 32.082 31.700 0.207 0.000 0.787 107 I N -2.214 118.055 120.570 -0.500 0.000 2.750 107 I HA 0.279 4.449 4.170 -0.000 0.000 0.308 107 I C -0.537 175.387 176.117 -0.322 0.000 1.016 107 I CA -0.692 60.259 61.300 -0.581 0.000 1.098 107 I CB 1.642 39.006 38.000 -1.061 0.000 1.279 107 I HN -0.254 nan 8.210 nan 0.000 0.454 108 T N 4.043 118.469 114.554 -0.213 0.000 2.934 108 T HA 0.096 4.446 4.350 -0.000 0.000 0.321 108 T C 0.363 175.008 174.700 -0.092 0.000 1.080 108 T CA -0.269 61.770 62.100 -0.101 0.000 1.132 108 T CB 0.323 69.168 68.868 -0.038 0.000 1.039 108 T HN 0.425 nan 8.240 nan 0.000 0.543 109 V N 4.210 124.106 119.914 -0.030 0.000 2.370 109 V HA 0.319 4.439 4.120 -0.000 0.000 0.257 109 V C 0.327 176.485 176.094 0.106 0.000 1.064 109 V CA -0.079 62.228 62.300 0.013 0.000 0.975 109 V CB -0.015 31.819 31.823 0.018 0.000 1.067 109 V HN 0.892 nan 8.190 nan 0.000 0.485 110 N N 6.475 125.305 118.700 0.217 0.000 3.321 110 N HA 0.261 5.001 4.740 -0.000 0.000 0.217 110 N C -3.140 172.561 175.510 0.318 0.000 1.405 110 N CA -0.791 52.418 53.050 0.266 0.000 0.799 110 N CB 2.422 41.083 38.487 0.290 0.000 1.619 110 N HN 0.213 nan 8.380 nan 0.000 0.648 111 P HA 0.445 nan 4.420 nan 0.000 0.276 111 P C -2.271 174.779 177.300 -0.416 0.000 1.244 111 P CA -1.141 61.671 63.100 -0.480 0.000 0.801 111 P CB 0.806 32.158 31.700 -0.580 0.000 1.006 112 P HA 0.221 nan 4.420 nan 0.000 0.258 112 P C -0.462 176.655 177.300 -0.304 0.000 1.416 112 P CA -0.046 62.722 63.100 -0.553 0.000 0.927 112 P CB -0.187 31.235 31.700 -0.464 0.000 1.444 113 F N 1.300 121.281 119.950 0.053 0.000 2.467 113 F HA 0.095 4.622 4.527 -0.000 0.000 0.362 113 F C 1.519 177.517 175.800 0.331 0.000 1.090 113 F CA -1.010 57.107 58.000 0.194 0.000 1.202 113 F CB -0.040 39.040 39.000 0.134 0.000 1.113 113 F HN -0.195 nan 8.300 nan 0.000 0.541 114 V N 1.683 121.925 119.914 0.547 0.000 3.513 114 V HA 0.677 4.797 4.120 -0.000 0.000 0.297 114 V C -2.363 173.873 176.094 0.236 0.000 1.058 114 V CA -2.116 60.405 62.300 0.367 0.000 1.003 114 V CB 0.590 32.666 31.823 0.422 0.000 1.236 114 V HN 0.532 nan 8.190 nan 0.000 0.436 115 P HA 0.302 nan 4.420 nan 0.000 0.286 115 P C 0.715 178.115 177.300 0.166 0.000 1.261 115 P CA 0.026 63.180 63.100 0.090 0.000 0.821 115 P CB 1.260 32.959 31.700 -0.001 0.000 1.013 116 T N -0.887 113.747 114.554 0.132 0.000 2.759 116 T HA -0.158 4.192 4.350 -0.000 0.000 0.269 116 T C 0.434 175.208 174.700 0.124 0.000 1.042 116 T CA 1.132 63.309 62.100 0.127 0.000 1.140 116 T CB -0.856 68.070 68.868 0.097 0.000 0.864 116 T HN 0.352 nan 8.240 nan 0.000 0.455 117 E N 2.615 122.907 120.200 0.154 0.000 1.865 117 E HA 0.282 4.632 4.350 -0.000 0.000 0.269 117 E C -0.436 176.303 176.600 0.232 0.000 1.177 117 E CA -0.150 56.355 56.400 0.176 0.000 0.932 117 E CB -0.156 29.667 29.700 0.205 0.000 1.066 117 E HN 0.263 nan 8.360 nan 0.000 0.405 118 N N 4.089 122.860 118.700 0.118 0.000 2.816 118 N HA 0.165 4.905 4.740 -0.000 0.000 0.236 118 N C -2.515 172.954 175.510 -0.068 0.000 1.076 118 N CA -2.278 50.822 53.050 0.083 0.000 0.902 118 N CB 0.867 39.337 38.487 -0.029 0.000 1.149 118 N HN 0.087 nan 8.380 nan 0.000 0.506 119 P HA -0.052 nan 4.420 nan 0.000 0.235 119 P C -0.490 176.732 177.300 -0.129 0.000 1.080 119 P CA 0.443 63.436 63.100 -0.179 0.000 1.096 119 P CB -0.625 31.267 31.700 0.319 0.000 1.085 120 T N 2.449 116.729 114.554 -0.457 0.000 2.832 120 T HA 0.429 4.779 4.350 -0.000 0.000 0.296 120 T C 1.196 175.470 174.700 -0.711 0.000 0.968 120 T CA -0.138 61.737 62.100 -0.375 0.000 1.107 120 T CB 0.919 69.558 68.868 -0.382 0.000 0.916 120 T HN 0.342 nan 8.240 nan 0.000 0.517 121 G N 1.813 110.341 108.800 -0.454 0.000 4.766 121 G HA2 0.378 4.338 3.960 -0.000 0.000 0.331 121 G HA3 0.378 4.338 3.960 -0.000 0.000 0.331 121 G C 0.271 175.139 174.900 -0.053 0.000 1.473 121 G CA -0.621 44.159 45.100 -0.533 0.000 1.076 121 G HN 0.946 nan 8.290 nan 0.000 0.544 122 C N 1.007 119.980 119.300 -0.544 0.000 2.437 122 C HA 0.205 4.665 4.460 -0.000 0.000 0.399 122 C C 0.073 174.832 174.990 -0.385 0.000 1.478 122 C CA -0.309 58.248 59.018 -0.769 0.000 1.538 122 C CB -1.730 24.907 27.740 -1.839 0.000 2.506 122 C HN 0.529 nan 8.230 nan 0.000 0.603 123 Y N 0.896 121.177 120.300 -0.031 0.000 2.662 123 Y HA 0.713 5.263 4.550 -0.000 0.000 0.335 123 Y C 0.314 176.602 175.900 0.647 0.000 1.066 123 Y CA -0.780 57.544 58.100 0.374 0.000 1.116 123 Y CB 1.848 40.672 38.460 0.606 0.000 1.308 123 Y HN 0.732 nan 8.280 nan 0.000 0.502 124 S N 1.624 117.809 115.700 0.808 0.000 2.590 124 S HA 0.536 5.006 4.470 -0.000 0.000 0.286 124 S C -2.315 172.372 174.600 0.145 0.000 1.147 124 S CA -0.681 57.837 58.200 0.530 0.000 0.963 124 S CB 0.792 64.314 63.200 0.536 0.000 1.124 124 S HN 0.651 nan 8.310 nan 0.000 0.458 125 L N 2.909 123.981 121.223 -0.251 0.000 2.356 125 L HA 0.808 5.148 4.340 -0.000 0.000 0.277 125 L C -0.428 176.381 176.870 -0.103 0.000 0.996 125 L CA 0.252 54.724 54.840 -0.614 0.000 0.822 125 L CB 2.109 43.035 42.059 -1.887 0.000 1.256 125 L HN 0.824 nan 8.230 nan 0.000 0.413 126 T N 5.608 120.162 114.554 0.001 0.000 2.875 126 T HA 0.779 5.129 4.350 -0.000 0.000 0.284 126 T C -0.962 173.890 174.700 0.254 0.000 0.995 126 T CA 0.115 62.277 62.100 0.103 0.000 1.060 126 T CB 0.598 69.468 68.868 0.003 0.000 0.967 126 T HN 0.497 nan 8.240 nan 0.000 0.476 127 F N -0.053 119.833 119.950 -0.107 0.000 2.744 127 F HA 0.568 5.095 4.527 -0.000 0.000 0.311 127 F C -1.228 174.527 175.800 -0.074 0.000 1.144 127 F CA -1.572 56.369 58.000 -0.097 0.000 0.938 127 F CB 0.601 39.532 39.000 -0.114 0.000 1.292 127 F HN 0.281 nan 8.300 nan 0.000 0.444 128 N N 0.067 118.773 118.700 0.010 0.000 2.524 128 N HA 0.713 5.453 4.740 -0.000 0.000 0.283 128 N C -1.480 174.008 175.510 -0.037 0.000 1.142 128 N CA -0.388 52.623 53.050 -0.065 0.000 0.984 128 N CB 1.762 40.219 38.487 -0.050 0.000 1.155 128 N HN 0.610 nan 8.380 nan 0.000 0.467 129 V N 0.921 120.781 119.914 -0.091 0.000 2.482 129 V HA 0.227 4.347 4.120 -0.000 0.000 0.295 129 V C -0.402 175.612 176.094 -0.134 0.000 1.026 129 V CA -1.102 61.141 62.300 -0.094 0.000 0.856 129 V CB 1.504 33.324 31.823 -0.005 0.000 1.001 129 V HN 0.599 nan 8.190 nan 0.000 0.424 130 D N 3.877 124.102 120.400 -0.291 0.000 2.536 130 D HA -0.055 4.585 4.640 -0.000 0.000 0.260 130 D C 1.456 177.714 176.300 -0.071 0.000 1.270 130 D CA 0.599 54.445 54.000 -0.257 0.000 0.934 130 D CB 0.767 41.297 40.800 -0.449 0.000 1.129 130 D HN 0.812 nan 8.370 nan 0.000 0.533 131 E N 1.854 122.039 120.200 -0.025 0.000 2.113 131 E HA -0.365 3.985 4.350 -0.000 0.000 0.210 131 E C 1.879 178.527 176.600 0.080 0.000 1.040 131 E CA 1.920 58.337 56.400 0.028 0.000 0.847 131 E CB -0.485 29.223 29.700 0.014 0.000 0.755 131 E HN 0.568 nan 8.360 nan 0.000 0.459 132 S N 0.368 116.118 115.700 0.083 0.000 2.400 132 S HA -0.260 4.210 4.470 -0.000 0.000 0.234 132 S C 1.671 176.380 174.600 0.182 0.000 1.049 132 S CA 1.444 59.721 58.200 0.128 0.000 1.039 132 S CB -0.722 62.562 63.200 0.141 0.000 0.856 132 S HN 0.469 nan 8.310 nan 0.000 0.465 133 W N 1.316 122.513 121.300 -0.172 0.000 2.402 133 W HA 0.303 4.963 4.660 -0.000 0.000 0.286 133 W C 2.215 178.709 176.519 -0.042 0.000 1.221 133 W CA -0.076 57.064 57.345 -0.343 0.000 1.257 133 W CB -0.565 28.677 29.460 -0.363 0.000 1.120 133 W HN 0.289 nan 8.180 nan 0.000 0.551 134 L N -0.267 121.088 121.223 0.220 0.000 2.395 134 L HA -0.106 4.234 4.340 -0.000 0.000 0.218 134 L C 1.947 178.892 176.870 0.125 0.000 1.130 134 L CA 1.119 56.057 54.840 0.162 0.000 0.826 134 L CB -0.929 41.196 42.059 0.111 0.000 0.941 134 L HN 0.099 nan 8.230 nan 0.000 0.451 135 Q N -0.200 119.672 119.800 0.121 0.000 1.822 135 Q HA -0.059 4.281 4.340 -0.000 0.000 0.251 135 Q C 1.299 177.360 176.000 0.101 0.000 0.969 135 Q CA 0.873 56.732 55.803 0.093 0.000 0.875 135 Q CB 0.156 28.945 28.738 0.083 0.000 0.917 135 Q HN 0.333 nan 8.270 nan 0.000 0.428 136 E N 0.028 120.303 120.200 0.125 0.000 4.471 136 E HA -0.031 4.319 4.350 -0.000 0.000 0.553 136 E C 0.938 177.599 176.600 0.102 0.000 1.497 136 E CA 0.337 56.804 56.400 0.113 0.000 3.644 136 E CB -0.738 29.036 29.700 0.124 0.000 1.401 136 E HN 0.463 nan 8.360 nan 0.000 0.458 137 G N 0.414 109.193 108.800 -0.035 0.000 2.338 137 G HA2 -0.250 3.710 3.960 -0.000 0.000 1.024 137 G HA3 -0.250 3.710 3.960 -0.000 0.000 1.024 137 G C 0.225 174.980 174.900 -0.242 0.000 1.090 137 G CA 0.618 45.536 45.100 -0.302 0.000 1.646 137 G HN 0.418 nan 8.290 nan 0.000 0.929 138 Q N -1.940 117.632 119.800 -0.381 0.000 2.359 138 Q HA 0.588 4.928 4.340 -0.000 0.000 0.275 138 Q C -1.454 174.446 176.000 -0.166 0.000 1.082 138 Q CA -0.516 55.185 55.803 -0.171 0.000 0.849 138 Q CB 1.947 30.629 28.738 -0.094 0.000 1.377 138 Q HN 0.380 nan 8.270 nan 0.000 0.452 139 T N 2.652 117.232 114.554 0.043 0.000 2.965 139 T HA 0.390 4.740 4.350 -0.000 0.000 0.306 139 T C -0.883 173.920 174.700 0.171 0.000 0.991 139 T CA -0.680 61.503 62.100 0.138 0.000 1.001 139 T CB 0.615 69.679 68.868 0.327 0.000 0.984 139 T HN 0.642 nan 8.240 nan 0.000 0.446 140 R N 3.296 123.879 120.500 0.139 0.000 2.604 140 R HA 0.711 5.051 4.340 -0.000 0.000 0.287 140 R C -0.802 175.617 176.300 0.198 0.000 0.970 140 R CA -0.926 55.277 56.100 0.172 0.000 0.946 140 R CB 1.183 31.565 30.300 0.137 0.000 1.127 140 R HN 0.368 nan 8.270 nan 0.000 0.473 141 I N 4.977 125.695 120.570 0.247 0.000 2.362 141 I HA 0.315 4.485 4.170 -0.000 0.000 0.289 141 I C -0.565 175.694 176.117 0.236 0.000 0.994 141 I CA -1.569 59.862 61.300 0.218 0.000 1.158 141 I CB 1.307 39.450 38.000 0.239 0.000 1.315 141 I HN 0.732 nan 8.210 nan 0.000 0.451 142 I N 5.947 126.525 120.570 0.014 0.000 2.321 142 I HA 0.345 4.515 4.170 -0.000 0.000 0.291 142 I C -0.896 175.027 176.117 -0.324 0.000 0.998 142 I CA -0.466 60.826 61.300 -0.013 0.000 1.227 142 I CB 0.843 38.870 38.000 0.045 0.000 1.368 142 I HN 0.326 nan 8.210 nan 0.000 0.466 143 F N 3.892 123.883 119.950 0.068 0.000 2.550 143 F HA 0.275 4.802 4.527 -0.000 0.000 0.312 143 F C 0.962 176.681 175.800 -0.135 0.000 1.256 143 F CA -0.551 57.420 58.000 -0.047 0.000 1.182 143 F CB -0.091 38.915 39.000 0.009 0.000 1.383 143 F HN 0.529 nan 8.300 nan 0.000 0.541 144 D N 1.090 121.448 120.400 -0.071 0.000 2.276 144 D HA -0.105 4.535 4.640 -0.000 0.000 0.200 144 D C 1.214 177.397 176.300 -0.196 0.000 1.004 144 D CA 1.809 55.735 54.000 -0.122 0.000 0.898 144 D CB 0.155 40.851 40.800 -0.173 0.000 0.906 144 D HN 0.518 nan 8.370 nan 0.000 0.457 145 G N -1.526 107.057 108.800 -0.360 0.000 2.750 145 G HA2 0.475 4.435 3.960 -0.000 0.000 0.298 145 G HA3 0.475 4.435 3.960 -0.000 0.000 0.298 145 G C -1.726 172.608 174.900 -0.943 0.000 1.412 145 G CA -0.504 44.176 45.100 -0.701 0.000 1.078 145 G HN -0.016 nan 8.290 nan 0.000 0.573 146 V N 3.167 122.684 119.914 -0.660 0.000 2.614 146 V HA 0.301 4.421 4.120 -0.000 0.000 0.281 146 V C -0.550 175.459 176.094 -0.141 0.000 1.031 146 V CA -1.244 60.752 62.300 -0.506 0.000 0.899 146 V CB 1.531 32.893 31.823 -0.768 0.000 1.037 146 V HN 0.754 nan 8.190 nan 0.000 0.456 147 N N 2.073 120.848 118.700 0.124 0.000 2.470 147 N HA 0.138 4.878 4.740 -0.000 0.000 0.268 147 N C 1.168 176.665 175.510 -0.021 0.000 1.136 147 N CA 0.749 53.872 53.050 0.122 0.000 0.961 147 N CB 2.025 40.558 38.487 0.077 0.000 1.067 147 N HN 0.779 nan 8.380 nan 0.000 0.468 148 S N 2.638 118.351 115.700 0.021 0.000 2.452 148 S HA 0.290 4.760 4.470 -0.000 0.000 0.225 148 S C 0.539 175.213 174.600 0.122 0.000 1.057 148 S CA 0.041 58.300 58.200 0.098 0.000 0.949 148 S CB 0.295 63.586 63.200 0.151 0.000 0.836 148 S HN 0.573 nan 8.310 nan 0.000 0.518 149 A N 0.863 123.767 122.820 0.139 0.000 2.454 149 A HA 0.796 5.116 4.320 -0.000 0.000 0.302 149 A C -0.954 176.754 177.584 0.207 0.000 1.079 149 A CA -0.887 51.226 52.037 0.126 0.000 0.731 149 A CB 1.152 20.245 19.000 0.154 0.000 1.299 149 A HN 1.022 nan 8.150 nan 0.000 0.413 150 F N -0.618 119.150 119.950 -0.304 0.000 2.686 150 F HA 0.763 5.290 4.527 -0.000 0.000 0.311 150 F C -1.324 174.390 175.800 -0.144 0.000 1.128 150 F CA -1.129 56.778 58.000 -0.156 0.000 0.946 150 F CB 0.951 39.877 39.000 -0.123 0.000 1.336 150 F HN 0.560 nan 8.300 nan 0.000 0.457 151 H N 1.648 120.806 119.070 0.147 0.000 2.572 151 H HA 0.782 5.338 4.556 -0.000 0.000 0.359 151 H C -1.298 174.010 175.328 -0.034 0.000 1.134 151 H CA -0.696 55.429 56.048 0.129 0.000 1.187 151 H CB 2.288 32.287 29.762 0.395 0.000 1.597 151 H HN 0.903 nan 8.280 nan 0.000 0.524 152 L N 1.108 122.158 121.223 -0.288 0.000 2.354 152 L HA 0.575 4.915 4.340 -0.000 0.000 0.264 152 L C -1.636 174.990 176.870 -0.406 0.000 1.008 152 L CA -0.612 54.100 54.840 -0.213 0.000 0.819 152 L CB 2.258 44.117 42.059 -0.334 0.000 1.339 152 L HN 0.475 nan 8.230 nan 0.000 0.420 153 W N 3.153 124.406 121.300 -0.079 0.000 2.819 153 W HA 0.623 5.283 4.660 -0.000 0.000 0.337 153 W C -1.371 175.074 176.519 -0.123 0.000 1.077 153 W CA -0.749 56.528 57.345 -0.112 0.000 1.226 153 W CB 2.206 31.611 29.460 -0.092 0.000 1.419 153 W HN 0.697 nan 8.180 nan 0.000 0.502 154 C N 5.111 124.469 119.300 0.097 0.000 2.446 154 C HA 0.249 4.709 4.460 -0.000 0.000 0.329 154 C C 0.404 175.488 174.990 0.158 0.000 1.166 154 C CA -0.401 58.651 59.018 0.056 0.000 1.341 154 C CB -0.197 27.480 27.740 -0.105 0.000 1.970 154 C HN 0.824 nan 8.230 nan 0.000 0.452 155 N N 3.264 122.024 118.700 0.099 0.000 2.696 155 N HA -0.210 4.530 4.740 -0.000 0.000 0.249 155 N C 0.970 176.533 175.510 0.088 0.000 1.090 155 N CA 2.149 55.238 53.050 0.066 0.000 0.716 155 N CB -1.205 37.319 38.487 0.061 0.000 1.020 155 N HN 1.670 nan 8.380 nan 0.000 0.548 156 G N -1.300 107.565 108.800 0.107 0.000 2.284 156 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.216 156 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.216 156 G C -0.012 175.097 174.900 0.348 0.000 1.009 156 G CA 0.117 45.287 45.100 0.116 0.000 0.625 156 G HN 0.527 nan 8.290 nan 0.000 0.501 157 R N -0.267 120.451 120.500 0.362 0.000 2.298 157 R HA 0.400 4.740 4.340 -0.000 0.000 0.310 157 R C 0.015 176.419 176.300 0.173 0.000 1.068 157 R CA -0.628 55.709 56.100 0.396 0.000 0.957 157 R CB 0.602 31.141 30.300 0.399 0.000 1.003 157 R HN 0.241 nan 8.270 nan 0.000 0.454 158 W N 5.703 126.901 121.300 -0.169 0.000 2.838 158 W HA 0.005 4.665 4.660 -0.000 0.000 0.412 158 W C 0.055 176.225 176.519 -0.583 0.000 1.236 158 W CA -0.182 56.608 57.345 -0.924 0.000 1.501 158 W CB -0.160 28.889 29.460 -0.684 0.000 1.617 158 W HN 0.446 nan 8.180 nan 0.000 0.496 159 V N 5.857 124.976 119.914 -1.326 0.000 2.263 159 V HA 0.140 4.260 4.120 -0.000 0.000 0.188 159 V C 1.581 176.598 176.094 -1.795 0.000 0.949 159 V CA 1.679 63.194 62.300 -1.308 0.000 1.133 159 V CB -1.290 29.812 31.823 -1.202 0.000 0.705 159 V HN 0.562 nan 8.190 nan 0.000 0.463 160 G N -2.789 105.118 108.800 -1.488 0.000 3.247 160 G HA2 0.527 4.487 3.960 -0.000 0.000 0.163 160 G HA3 0.527 4.487 3.960 -0.000 0.000 0.163 160 G C -1.470 173.232 174.900 -0.330 0.000 1.206 160 G CA 0.179 44.719 45.100 -0.933 0.000 0.918 160 G HN 0.398 nan 8.290 nan 0.000 0.625 161 Y N -1.874 118.395 120.300 -0.053 0.000 2.788 161 Y HA 0.569 5.119 4.550 -0.000 0.000 0.335 161 Y C -0.291 175.497 175.900 -0.186 0.000 1.287 161 Y CA -0.192 57.855 58.100 -0.088 0.000 1.068 161 Y CB 1.351 39.965 38.460 0.257 0.000 1.340 161 Y HN 1.150 nan 8.280 nan 0.000 0.449 162 G N 1.498 109.460 108.800 -1.396 0.000 2.576 162 G HA2 0.589 4.549 3.960 -0.000 0.000 0.290 162 G HA3 0.589 4.549 3.960 -0.000 0.000 0.290 162 G C -2.427 172.048 174.900 -0.709 0.000 1.442 162 G CA -0.928 43.713 45.100 -0.766 0.000 0.792 162 G HN 0.561 nan 8.290 nan 0.000 0.491 163 Q N 0.347 120.030 119.800 -0.194 0.000 2.468 163 Q HA 0.412 4.752 4.340 -0.000 0.000 0.263 163 Q C -1.849 174.178 176.000 0.046 0.000 0.979 163 Q CA -0.706 55.080 55.803 -0.030 0.000 0.932 163 Q CB 2.840 31.596 28.738 0.030 0.000 1.462 163 Q HN 0.886 nan 8.270 nan 0.000 0.403 164 D N 1.442 121.898 120.400 0.092 0.000 3.672 164 D HA -0.083 4.557 4.640 -0.000 0.000 0.216 164 D C 0.017 176.373 176.300 0.093 0.000 1.119 164 D CA 0.715 54.776 54.000 0.101 0.000 0.914 164 D CB -0.271 40.578 40.800 0.082 0.000 0.685 164 D HN 0.631 nan 8.370 nan 0.000 0.326 165 S N 2.390 118.161 115.700 0.119 0.000 2.440 165 S HA -0.183 4.287 4.470 -0.000 0.000 0.238 165 S C 1.701 176.389 174.600 0.147 0.000 1.010 165 S CA 0.732 59.017 58.200 0.142 0.000 0.972 165 S CB 0.203 63.550 63.200 0.245 0.000 0.774 165 S HN 0.407 nan 8.310 nan 0.000 0.501 166 R N 0.479 121.054 120.500 0.125 0.000 2.161 166 R HA 0.400 4.740 4.340 -0.000 0.000 0.213 166 R C 0.214 176.569 176.300 0.092 0.000 1.055 166 R CA 0.307 56.477 56.100 0.117 0.000 0.996 166 R CB -0.478 29.913 30.300 0.152 0.000 0.901 166 R HN 0.394 nan 8.270 nan 0.000 0.456 167 L N 1.470 122.729 121.223 0.060 0.000 2.325 167 L HA 0.447 4.787 4.340 -0.000 0.000 0.278 167 L C -2.168 174.703 176.870 0.002 0.000 1.023 167 L CA -2.446 52.409 54.840 0.026 0.000 0.811 167 L CB 1.660 43.726 42.059 0.011 0.000 1.249 167 L HN -0.111 nan 8.230 nan 0.000 0.431 168 P HA 0.121 nan 4.420 nan 0.000 0.268 168 P C -1.071 176.246 177.300 0.028 0.000 1.208 168 P CA -0.200 62.898 63.100 -0.004 0.000 0.777 168 P CB 0.751 32.424 31.700 -0.045 0.000 0.875 169 S N 0.765 116.545 115.700 0.134 0.000 2.536 169 S HA 0.447 4.917 4.470 -0.000 0.000 0.287 169 S C -0.790 173.939 174.600 0.214 0.000 1.101 169 S CA -0.794 57.482 58.200 0.127 0.000 0.950 169 S CB 1.643 64.969 63.200 0.210 0.000 1.056 169 S HN 0.388 nan 8.310 nan 0.000 0.481 170 E N 1.480 121.656 120.200 -0.040 0.000 2.266 170 E HA 0.654 5.004 4.350 -0.000 0.000 0.268 170 E C -1.506 174.981 176.600 -0.189 0.000 0.879 170 E CA -0.653 55.789 56.400 0.071 0.000 0.762 170 E CB 1.850 31.605 29.700 0.092 0.000 1.199 170 E HN 0.404 nan 8.360 nan 0.000 0.422 171 F N 0.038 120.072 119.950 0.140 0.000 2.629 171 F HA 0.319 4.846 4.527 -0.000 0.000 0.316 171 F C -0.033 175.810 175.800 0.072 0.000 1.081 171 F CA -1.014 57.019 58.000 0.055 0.000 0.954 171 F CB 1.582 40.562 39.000 -0.035 0.000 1.337 171 F HN 0.248 nan 8.300 nan 0.000 0.474 172 D N 1.129 121.685 120.400 0.259 0.000 2.168 172 D HA 0.522 5.162 4.640 -0.000 0.000 0.246 172 D C -0.040 176.419 176.300 0.265 0.000 1.050 172 D CA -0.049 54.083 54.000 0.219 0.000 0.857 172 D CB 1.648 42.553 40.800 0.175 0.000 1.169 172 D HN 0.550 nan 8.370 nan 0.000 0.453 173 L N 1.919 123.322 121.223 0.300 0.000 3.217 173 L HA 0.094 4.434 4.340 -0.000 0.000 0.288 173 L C 2.000 179.168 176.870 0.497 0.000 1.202 173 L CA -0.192 54.918 54.840 0.451 0.000 1.027 173 L CB 0.320 42.515 42.059 0.227 0.000 1.427 173 L HN 0.243 nan 8.230 nan 0.000 0.600 174 S N 1.039 116.924 115.700 0.309 0.000 2.423 174 S HA -0.228 4.242 4.470 -0.000 0.000 0.238 174 S C 2.009 176.685 174.600 0.126 0.000 1.028 174 S CA 1.787 60.106 58.200 0.199 0.000 1.000 174 S CB 0.079 63.356 63.200 0.128 0.000 0.797 174 S HN 0.549 nan 8.310 nan 0.000 0.487 175 A N -0.664 122.201 122.820 0.074 0.000 2.072 175 A HA 0.238 4.558 4.320 -0.000 0.000 0.216 175 A C 1.398 178.748 177.584 -0.391 0.000 1.156 175 A CA 0.590 52.474 52.037 -0.254 0.000 0.701 175 A CB -0.311 18.370 19.000 -0.531 0.000 0.816 175 A HN 0.565 nan 8.150 nan 0.000 0.458 176 F N -0.482 119.488 119.950 0.034 0.000 2.678 176 F HA 0.366 4.893 4.527 -0.000 0.000 0.291 176 F C 0.696 176.514 175.800 0.030 0.000 1.123 176 F CA -0.725 57.292 58.000 0.028 0.000 1.395 176 F CB -0.466 38.550 39.000 0.027 0.000 1.121 176 F HN -0.104 nan 8.300 nan 0.000 0.592 177 L N 2.105 123.485 121.223 0.262 0.000 2.490 177 L HA 0.151 4.491 4.340 -0.000 0.000 0.274 177 L C 0.775 177.696 176.870 0.084 0.000 1.201 177 L CA 0.339 55.280 54.840 0.168 0.000 0.869 177 L CB 0.520 42.707 42.059 0.214 0.000 1.123 177 L HN 0.165 nan 8.230 nan 0.000 0.484 178 R N 1.831 122.346 120.500 0.025 0.000 3.107 178 R HA 0.782 5.122 4.340 -0.000 0.000 0.220 178 R C -0.766 175.527 176.300 -0.012 0.000 1.602 178 R CA -0.904 55.194 56.100 -0.004 0.000 1.005 178 R CB 0.917 31.195 30.300 -0.037 0.000 2.057 178 R HN 0.661 nan 8.270 nan 0.000 0.531 179 A N -0.095 122.708 122.820 -0.029 0.000 2.330 179 A HA 0.606 4.926 4.320 -0.000 0.000 0.327 179 A C 0.373 177.919 177.584 -0.063 0.000 1.155 179 A CA 0.190 52.208 52.037 -0.032 0.000 0.803 179 A CB 0.860 19.850 19.000 -0.017 0.000 1.208 179 A HN 0.789 nan 8.150 nan 0.000 0.477 180 G N 1.438 110.194 108.800 -0.073 0.000 2.565 180 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.295 180 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.295 180 G C 0.185 174.999 174.900 -0.143 0.000 1.165 180 G CA 0.497 45.543 45.100 -0.089 0.000 0.977 180 G HN 1.047 nan 8.290 nan 0.000 0.546 181 E N 2.123 122.241 120.200 -0.136 0.000 2.606 181 E HA 0.190 4.540 4.350 -0.000 0.000 0.248 181 E C -0.129 176.310 176.600 -0.268 0.000 1.005 181 E CA 0.384 56.676 56.400 -0.180 0.000 0.946 181 E CB 0.004 29.634 29.700 -0.118 0.000 0.928 181 E HN 0.370 nan 8.360 nan 0.000 0.494 182 N N 3.162 121.575 118.700 -0.479 0.000 2.260 182 N HA 0.270 5.010 4.740 -0.000 0.000 0.293 182 N C -1.101 174.026 175.510 -0.638 0.000 1.058 182 N CA -0.603 52.037 53.050 -0.684 0.000 0.824 182 N CB 2.021 39.855 38.487 -1.090 0.000 1.551 182 N HN 0.301 nan 8.380 nan 0.000 0.475 183 R N 2.499 122.823 120.500 -0.293 0.000 2.494 183 R HA 0.527 4.867 4.340 -0.000 0.000 0.305 183 R C -1.179 175.168 176.300 0.077 0.000 0.959 183 R CA -0.513 55.544 56.100 -0.070 0.000 0.864 183 R CB 1.087 31.348 30.300 -0.066 0.000 1.159 183 R HN 0.509 nan 8.270 nan 0.000 0.446 184 L N 2.634 123.978 121.223 0.202 0.000 2.329 184 L HA 0.604 4.944 4.340 -0.000 0.000 0.279 184 L C -0.213 176.796 176.870 0.230 0.000 1.014 184 L CA -0.669 54.319 54.840 0.247 0.000 0.814 184 L CB 2.044 44.289 42.059 0.310 0.000 1.257 184 L HN 0.713 nan 8.230 nan 0.000 0.424 185 A N 3.741 126.703 122.820 0.237 0.000 2.893 185 A HA 0.581 4.901 4.320 -0.000 0.000 0.333 185 A C -0.707 177.220 177.584 0.571 0.000 1.152 185 A CA -0.422 51.721 52.037 0.176 0.000 0.782 185 A CB 0.544 19.071 19.000 -0.788 0.000 1.108 185 A HN 0.359 nan 8.150 nan 0.000 0.469 186 V N 2.846 123.231 119.914 0.785 0.000 2.455 186 V HA 0.373 4.493 4.120 -0.000 0.000 0.273 186 V C 0.389 176.924 176.094 0.734 0.000 1.045 186 V CA 0.024 62.748 62.300 0.706 0.000 0.976 186 V CB 0.900 33.029 31.823 0.511 0.000 0.993 186 V HN 0.903 nan 8.190 nan 0.000 0.475 187 M N 6.634 126.660 119.600 0.710 0.000 2.268 187 M HA 0.730 5.210 4.480 -0.000 0.000 0.344 187 M C -1.560 174.972 176.300 0.386 0.000 1.106 187 M CA -0.222 55.375 55.300 0.494 0.000 1.010 187 M CB 1.691 34.626 32.600 0.558 0.000 1.649 187 M HN 0.399 nan 8.290 nan 0.000 0.443 188 V N 6.396 126.462 119.914 0.253 0.000 2.531 188 V HA 0.483 4.603 4.120 -0.000 0.000 0.301 188 V C -0.355 175.890 176.094 0.250 0.000 1.034 188 V CA -0.721 61.728 62.300 0.247 0.000 0.865 188 V CB 1.643 33.597 31.823 0.218 0.000 0.995 188 V HN 0.885 nan 8.190 nan 0.000 0.424 189 L N 3.904 125.232 121.223 0.176 0.000 2.360 189 L HA 0.606 4.946 4.340 -0.000 0.000 0.271 189 L C 1.319 178.216 176.870 0.045 0.000 1.057 189 L CA -0.600 54.298 54.840 0.097 0.000 0.803 189 L CB 1.478 43.545 42.059 0.014 0.000 1.207 189 L HN 0.713 nan 8.230 nan 0.000 0.445 190 R N 1.123 121.581 120.500 -0.071 0.000 2.146 190 R HA 0.079 4.419 4.340 -0.000 0.000 0.206 190 R C -0.356 175.790 176.300 -0.257 0.000 1.049 190 R CA 0.239 56.110 56.100 -0.381 0.000 1.029 190 R CB 0.268 30.135 30.300 -0.721 0.000 0.949 190 R HN 0.590 nan 8.270 nan 0.000 0.471 191 W N 1.984 123.333 121.300 0.081 0.000 2.296 191 W HA 0.413 5.073 4.660 -0.000 0.000 0.316 191 W C -0.372 176.250 176.519 0.172 0.000 1.022 191 W CA -1.122 56.287 57.345 0.108 0.000 1.324 191 W CB 1.548 31.065 29.460 0.094 0.000 1.227 191 W HN 0.052 nan 8.180 nan 0.000 0.409 192 S N 0.269 116.268 115.700 0.499 0.000 2.704 192 S HA 0.288 4.758 4.470 -0.000 0.000 0.296 192 S C 0.676 175.589 174.600 0.522 0.000 1.138 192 S CA -0.454 58.053 58.200 0.512 0.000 0.875 192 S CB 1.485 64.941 63.200 0.426 0.000 1.151 192 S HN 0.546 nan 8.310 nan 0.000 0.500 193 D N 0.941 121.624 120.400 0.472 0.000 2.144 193 D HA 0.023 4.663 4.640 -0.000 0.000 0.199 193 D C 1.927 178.544 176.300 0.529 0.000 0.984 193 D CA 1.453 55.714 54.000 0.435 0.000 0.834 193 D CB -0.970 39.927 40.800 0.161 0.000 0.955 193 D HN 0.672 nan 8.370 nan 0.000 0.465 194 G N 0.138 109.179 108.800 0.402 0.000 2.469 194 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.220 194 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.220 194 G C 1.795 176.928 174.900 0.388 0.000 1.136 194 G CA 1.132 46.447 45.100 0.360 0.000 0.759 194 G HN 0.331 nan 8.290 nan 0.000 0.562 195 S N 0.247 116.185 115.700 0.396 0.000 2.389 195 S HA -0.226 4.244 4.470 -0.000 0.000 0.231 195 S C 2.038 176.813 174.600 0.292 0.000 1.052 195 S CA 1.655 60.061 58.200 0.343 0.000 1.053 195 S CB -0.495 62.927 63.200 0.370 0.000 0.886 195 S HN 0.527 nan 8.310 nan 0.000 0.456 196 Y N 1.165 121.574 120.300 0.181 0.000 2.298 196 Y HA -0.039 4.511 4.550 -0.000 0.000 0.287 196 Y C 1.682 177.693 175.900 0.186 0.000 1.164 196 Y CA 0.662 58.794 58.100 0.054 0.000 1.229 196 Y CB -0.440 37.954 38.460 -0.110 0.000 0.977 196 Y HN 0.227 nan 8.280 nan 0.000 0.538 197 L N 0.030 121.463 121.223 0.350 0.000 2.685 197 L HA 0.138 4.478 4.340 -0.000 0.000 0.233 197 L C -0.331 176.693 176.870 0.256 0.000 1.173 197 L CA 0.333 55.330 54.840 0.262 0.000 0.961 197 L CB -0.150 42.051 42.059 0.236 0.000 1.217 197 L HN 0.112 nan 8.230 nan 0.000 0.478 198 E N 0.254 120.629 120.200 0.291 0.000 3.108 198 E HA 0.109 4.459 4.350 -0.000 0.000 0.228 198 E C -0.734 176.017 176.600 0.253 0.000 1.176 198 E CA -0.056 56.502 56.400 0.263 0.000 0.881 198 E CB 0.883 30.732 29.700 0.248 0.000 1.354 198 E HN -0.042 nan 8.360 nan 0.000 0.400 199 D N 2.002 122.510 120.400 0.180 0.000 2.804 199 D HA 0.067 4.707 4.640 -0.000 0.000 0.308 199 D C -0.583 175.734 176.300 0.029 0.000 1.371 199 D CA -0.344 53.667 54.000 0.018 0.000 0.823 199 D CB 0.354 40.930 40.800 -0.374 0.000 1.126 199 D HN 0.142 nan 8.370 nan 0.000 0.467 200 Q N 0.715 120.603 119.800 0.147 0.000 2.311 200 Q HA 0.157 4.497 4.340 -0.000 0.000 0.272 200 Q C -0.263 175.809 176.000 0.121 0.000 1.012 200 Q CA 0.007 55.925 55.803 0.193 0.000 0.891 200 Q CB 0.805 29.724 28.738 0.302 0.000 1.201 200 Q HN 0.139 nan 8.270 nan 0.000 0.391 201 D N 4.180 124.628 120.400 0.080 0.000 2.357 201 D HA 0.159 4.799 4.640 -0.000 0.000 0.265 201 D C -0.435 175.956 176.300 0.152 0.000 1.334 201 D CA 0.250 54.244 54.000 -0.011 0.000 0.984 201 D CB -0.103 40.659 40.800 -0.065 0.000 1.077 201 D HN 0.513 nan 8.370 nan 0.000 0.514 202 M N 1.220 120.886 119.600 0.110 0.000 3.490 202 M HA 0.266 4.746 4.480 -0.000 0.000 0.306 202 M C -1.539 174.940 176.300 0.299 0.000 1.248 202 M CA -1.087 54.342 55.300 0.215 0.000 0.875 202 M CB 0.849 33.598 32.600 0.248 0.000 1.761 202 M HN 0.132 nan 8.290 nan 0.000 0.529 203 W N 2.431 123.874 121.300 0.238 0.000 2.485 203 W HA 0.365 5.025 4.660 -0.000 0.000 0.315 203 W C 0.229 176.779 176.519 0.050 0.000 1.304 203 W CA -0.751 56.691 57.345 0.162 0.000 1.345 203 W CB 0.571 30.082 29.460 0.085 0.000 1.368 203 W HN 0.320 nan 8.180 nan 0.000 0.497 204 R N 4.851 125.553 120.500 0.335 0.000 3.641 204 R HA 0.105 4.445 4.340 -0.000 0.000 0.189 204 R C 0.388 176.678 176.300 -0.016 0.000 1.706 204 R CA 0.146 56.343 56.100 0.162 0.000 1.311 204 R CB -1.072 29.370 30.300 0.236 0.000 1.330 204 R HN 0.572 nan 8.270 nan 0.000 0.727 205 M N -0.641 118.895 119.600 -0.107 0.000 1.791 205 M HA 0.178 4.658 4.480 -0.000 0.000 0.161 205 M C 0.494 176.544 176.300 -0.417 0.000 1.144 205 M CA 0.335 55.462 55.300 -0.289 0.000 0.949 205 M CB 0.324 32.734 32.600 -0.316 0.000 1.011 205 M HN 0.334 nan 8.290 nan 0.000 0.508 206 S N -2.295 113.088 115.700 -0.528 0.000 2.627 206 S HA 0.616 5.086 4.470 -0.000 0.000 0.268 206 S C -0.727 173.549 174.600 -0.540 0.000 1.130 206 S CA -0.045 57.742 58.200 -0.688 0.000 0.819 206 S CB 1.391 63.837 63.200 -1.257 0.000 1.100 206 S HN 1.202 nan 8.310 nan 0.000 0.465 207 G N 1.013 109.565 108.800 -0.412 0.000 2.416 207 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.203 207 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.203 207 G C -1.182 173.711 174.900 -0.011 0.000 1.227 207 G CA -0.280 44.813 45.100 -0.012 0.000 1.041 207 G HN 1.020 nan 8.290 nan 0.000 0.546 208 I N 1.863 122.392 120.570 -0.067 0.000 2.778 208 I HA 0.287 4.457 4.170 -0.000 0.000 0.285 208 I C 0.869 176.859 176.117 -0.212 0.000 1.236 208 I CA -0.324 60.798 61.300 -0.298 0.000 1.089 208 I CB 0.140 37.854 38.000 -0.477 0.000 1.601 208 I HN 0.492 nan 8.210 nan 0.000 0.573 209 F N 1.854 121.708 119.950 -0.161 0.000 2.731 209 F HA 0.421 4.948 4.527 -0.000 0.000 0.304 209 F C 0.717 176.462 175.800 -0.092 0.000 1.133 209 F CA -0.414 57.505 58.000 -0.136 0.000 1.380 209 F CB -0.221 38.693 39.000 -0.143 0.000 1.079 209 F HN 0.088 nan 8.300 nan 0.000 0.550 210 R N 0.361 120.623 120.500 -0.397 0.000 2.930 210 R HA 0.271 4.611 4.340 -0.000 0.000 0.257 210 R C -0.635 175.560 176.300 -0.175 0.000 1.107 210 R CA -1.067 54.902 56.100 -0.217 0.000 0.999 210 R CB 0.727 30.835 30.300 -0.321 0.000 1.209 210 R HN 0.024 nan 8.270 nan 0.000 0.486 211 D N 0.442 120.783 120.400 -0.098 0.000 2.352 211 D HA 0.211 4.851 4.640 -0.000 0.000 0.238 211 D C -0.294 175.895 176.300 -0.186 0.000 1.286 211 D CA 0.054 53.990 54.000 -0.107 0.000 0.923 211 D CB 0.510 41.282 40.800 -0.046 0.000 1.146 211 D HN 0.059 nan 8.370 nan 0.000 0.471 212 V N -0.021 119.792 119.914 -0.168 0.000 2.524 212 V HA 0.460 4.580 4.120 -0.000 0.000 0.297 212 V C -0.351 175.660 176.094 -0.139 0.000 1.035 212 V CA -0.808 61.348 62.300 -0.240 0.000 0.867 212 V CB 1.293 32.949 31.823 -0.277 0.000 1.004 212 V HN 0.653 nan 8.190 nan 0.000 0.426 213 S N 5.021 120.623 115.700 -0.164 0.000 2.638 213 S HA 0.877 5.347 4.470 -0.000 0.000 0.302 213 S C -0.882 173.700 174.600 -0.030 0.000 1.096 213 S CA -0.940 57.221 58.200 -0.065 0.000 0.953 213 S CB 2.411 65.593 63.200 -0.030 0.000 1.107 213 S HN 0.511 nan 8.310 nan 0.000 0.503 214 L N 1.892 123.154 121.223 0.064 0.000 2.372 214 L HA 0.495 4.835 4.340 -0.000 0.000 0.274 214 L C -1.652 175.367 176.870 0.248 0.000 0.988 214 L CA -0.780 54.165 54.840 0.175 0.000 0.833 214 L CB 1.748 43.943 42.059 0.226 0.000 1.236 214 L HN 0.536 nan 8.230 nan 0.000 0.410 215 L N 3.775 125.107 121.223 0.181 0.000 2.296 215 L HA 0.423 4.763 4.340 -0.000 0.000 0.286 215 L C -0.664 176.183 176.870 -0.038 0.000 1.023 215 L CA -0.326 54.564 54.840 0.083 0.000 0.812 215 L CB 1.264 43.368 42.059 0.075 0.000 1.223 215 L HN 0.466 nan 8.230 nan 0.000 0.421 216 H N 4.055 122.879 119.070 -0.410 0.000 2.762 216 H HA 0.495 5.051 4.556 -0.000 0.000 0.310 216 H C -1.025 174.026 175.328 -0.461 0.000 1.004 216 H CA -0.419 55.203 56.048 -0.710 0.000 1.267 216 H CB 0.705 29.335 29.762 -1.887 0.000 1.437 216 H HN 0.518 nan 8.280 nan 0.000 0.498 217 K N 5.776 125.763 120.400 -0.687 0.000 2.156 217 K HA 0.356 4.676 4.320 -0.000 0.000 0.254 217 K C -2.774 173.485 176.600 -0.568 0.000 0.950 217 K CA -2.208 53.775 56.287 -0.506 0.000 0.849 217 K CB 1.695 34.006 32.500 -0.315 0.000 1.100 217 K HN 0.466 nan 8.250 nan 0.000 0.434 218 P HA 0.008 nan 4.420 nan 0.000 0.279 218 P C 0.590 177.753 177.300 -0.228 0.000 1.239 218 P CA -0.210 62.725 63.100 -0.274 0.000 0.789 218 P CB 0.702 32.294 31.700 -0.179 0.000 0.933 219 T N -1.119 113.327 114.554 -0.180 0.000 2.778 219 T HA -0.104 4.246 4.350 -0.000 0.000 0.269 219 T C 0.676 175.292 174.700 -0.139 0.000 1.050 219 T CA 1.456 63.472 62.100 -0.140 0.000 1.137 219 T CB -1.082 67.726 68.868 -0.099 0.000 0.860 219 T HN 0.347 nan 8.240 nan 0.000 0.468 220 T N 3.442 117.911 114.554 -0.141 0.000 3.336 220 T HA 0.368 4.718 4.350 -0.000 0.000 0.384 220 T C -0.249 174.348 174.700 -0.172 0.000 1.704 220 T CA -0.848 61.157 62.100 -0.159 0.000 1.334 220 T CB 0.538 69.314 68.868 -0.153 0.000 1.131 220 T HN 0.625 nan 8.240 nan 0.000 0.684 221 Q N 2.424 122.109 119.800 -0.192 0.000 2.378 221 Q HA 0.543 4.883 4.340 -0.000 0.000 0.276 221 Q C -0.788 175.078 176.000 -0.224 0.000 1.083 221 Q CA -1.001 54.672 55.803 -0.215 0.000 0.856 221 Q CB 1.518 30.103 28.738 -0.254 0.000 1.383 221 Q HN 0.395 nan 8.270 nan 0.000 0.458 222 I N 2.503 122.909 120.570 -0.274 0.000 2.556 222 I HA -0.021 4.149 4.170 -0.000 0.000 0.284 222 I C 0.665 176.537 176.117 -0.409 0.000 1.114 222 I CA 0.190 61.309 61.300 -0.300 0.000 1.418 222 I CB 0.977 38.729 38.000 -0.414 0.000 1.394 222 I HN 0.828 nan 8.210 nan 0.000 0.552 223 S N 2.746 118.323 115.700 -0.206 0.000 2.701 223 S HA 0.286 4.756 4.470 -0.000 0.000 0.242 223 S C -0.019 174.699 174.600 0.196 0.000 1.025 223 S CA -0.493 57.633 58.200 -0.124 0.000 1.016 223 S CB 0.468 63.624 63.200 -0.074 0.000 0.977 223 S HN 0.790 nan 8.310 nan 0.000 0.546 224 D N -0.093 120.483 120.400 0.294 0.000 2.972 224 D HA 0.407 5.047 4.640 -0.000 0.000 0.294 224 D C -2.109 174.547 176.300 0.592 0.000 1.211 224 D CA -0.295 54.024 54.000 0.532 0.000 0.732 224 D CB 1.474 42.419 40.800 0.241 0.000 1.257 224 D HN 0.207 nan 8.370 nan 0.000 0.435 225 F N -0.743 119.242 119.950 0.058 0.000 2.767 225 F HA 0.489 5.016 4.527 -0.000 0.000 0.317 225 F C -2.034 173.854 175.800 0.146 0.000 1.119 225 F CA -0.795 57.188 58.000 -0.028 0.000 0.971 225 F CB 0.297 39.314 39.000 0.029 0.000 1.251 225 F HN 0.319 nan 8.300 nan 0.000 0.450 226 H N 0.965 120.011 119.070 -0.039 0.000 2.717 226 H HA 0.847 5.403 4.556 -0.000 0.000 0.366 226 H C -1.479 173.780 175.328 -0.114 0.000 1.132 226 H CA -1.499 54.467 56.048 -0.136 0.000 1.180 226 H CB 2.935 32.648 29.762 -0.082 0.000 1.678 226 H HN 0.657 nan 8.280 nan 0.000 0.537 227 V N 1.455 121.351 119.914 -0.030 0.000 2.823 227 V HA 0.811 4.931 4.120 -0.000 0.000 0.312 227 V C -0.786 175.242 176.094 -0.110 0.000 1.072 227 V CA -0.417 61.836 62.300 -0.079 0.000 0.937 227 V CB 1.774 33.531 31.823 -0.111 0.000 1.013 227 V HN 0.964 nan 8.190 nan 0.000 0.430 228 A N 2.737 125.478 122.820 -0.133 0.000 2.606 228 A HA 0.959 5.279 4.320 -0.000 0.000 0.293 228 A C -0.578 176.871 177.584 -0.225 0.000 1.082 228 A CA -0.477 51.471 52.037 -0.148 0.000 0.685 228 A CB 2.263 21.205 19.000 -0.097 0.000 1.284 228 A HN 0.824 nan 8.150 nan 0.000 0.408 229 T N -0.244 114.171 114.554 -0.232 0.000 2.907 229 T HA 0.866 5.216 4.350 -0.000 0.000 0.292 229 T C -0.496 174.007 174.700 -0.327 0.000 1.043 229 T CA -0.821 61.054 62.100 -0.374 0.000 1.003 229 T CB 1.748 70.290 68.868 -0.543 0.000 1.084 229 T HN 0.749 nan 8.240 nan 0.000 0.483 230 R N 0.251 120.383 120.500 -0.613 0.000 2.668 230 R HA 0.738 5.078 4.340 -0.000 0.000 0.272 230 R C -1.638 174.141 176.300 -0.868 0.000 1.019 230 R CA -0.738 55.082 56.100 -0.467 0.000 0.894 230 R CB 1.698 31.875 30.300 -0.205 0.000 1.228 230 R HN 0.559 nan 8.270 nan 0.000 0.460 231 F N -0.003 119.895 119.950 -0.087 0.000 2.675 231 F HA 0.461 4.988 4.527 -0.000 0.000 0.324 231 F C 0.374 176.019 175.800 -0.258 0.000 1.106 231 F CA -1.220 56.679 58.000 -0.169 0.000 0.970 231 F CB 0.696 39.498 39.000 -0.329 0.000 1.385 231 F HN 0.468 nan 8.300 nan 0.000 0.489 232 N N 0.100 118.765 118.700 -0.058 0.000 2.495 232 N HA 0.092 4.832 4.740 -0.000 0.000 0.294 232 N C 0.419 175.796 175.510 -0.221 0.000 1.276 232 N CA -0.054 52.932 53.050 -0.107 0.000 0.973 232 N CB -0.005 38.452 38.487 -0.050 0.000 1.143 232 N HN 0.676 nan 8.380 nan 0.000 0.589 233 D N -1.236 119.089 120.400 -0.125 0.000 2.271 233 D HA -0.226 4.414 4.640 -0.000 0.000 0.207 233 D C 0.249 176.502 176.300 -0.078 0.000 0.983 233 D CA 1.431 55.368 54.000 -0.104 0.000 0.878 233 D CB -0.472 40.311 40.800 -0.029 0.000 0.920 233 D HN 0.724 nan 8.370 nan 0.000 0.479 234 D N -1.934 118.442 120.400 -0.040 0.000 2.535 234 D HA 0.027 4.667 4.640 -0.000 0.000 0.229 234 D C 0.309 176.798 176.300 0.316 0.000 1.238 234 D CA -0.859 53.232 54.000 0.151 0.000 0.824 234 D CB -0.949 39.930 40.800 0.133 0.000 1.045 234 D HN 0.123 nan 8.370 nan 0.000 0.500 235 F N 0.109 120.134 119.950 0.125 0.000 2.890 235 F HA -0.318 4.209 4.527 -0.000 0.000 0.346 235 F C 1.631 177.541 175.800 0.184 0.000 0.660 235 F CA 0.958 59.069 58.000 0.185 0.000 1.091 235 F CB -2.447 36.558 39.000 0.008 0.000 1.535 235 F HN 0.069 nan 8.300 nan 0.000 0.314 236 S N -0.562 115.272 115.700 0.223 0.000 2.507 236 S HA 0.007 4.477 4.470 -0.000 0.000 0.235 236 S C 0.722 175.390 174.600 0.114 0.000 0.988 236 S CA 0.689 58.977 58.200 0.147 0.000 0.944 236 S CB -0.009 63.246 63.200 0.093 0.000 0.762 236 S HN 0.345 nan 8.310 nan 0.000 0.526 237 R N 0.402 120.977 120.500 0.125 0.000 2.604 237 R HA 0.799 5.139 4.340 -0.000 0.000 0.281 237 R C -1.025 175.298 176.300 0.040 0.000 1.020 237 R CA -0.374 55.762 56.100 0.059 0.000 0.899 237 R CB 1.748 32.055 30.300 0.012 0.000 1.205 237 R HN 0.148 nan 8.270 nan 0.000 0.450 238 A N 1.369 124.164 122.820 -0.042 0.000 2.532 238 A HA 0.834 5.154 4.320 -0.000 0.000 0.290 238 A C -1.243 176.243 177.584 -0.163 0.000 1.143 238 A CA -0.712 51.200 52.037 -0.208 0.000 0.728 238 A CB 2.176 21.042 19.000 -0.224 0.000 1.317 238 A HN 0.308 nan 8.150 nan 0.000 0.414 239 V N 0.914 120.683 119.914 -0.241 0.000 2.686 239 V HA 0.469 4.589 4.120 -0.000 0.000 0.306 239 V C -1.022 174.982 176.094 -0.150 0.000 1.065 239 V CA -0.476 61.733 62.300 -0.151 0.000 0.894 239 V CB 1.494 33.226 31.823 -0.152 0.000 1.004 239 V HN 0.877 nan 8.190 nan 0.000 0.424 240 L N 3.759 124.937 121.223 -0.074 0.000 2.360 240 L HA 0.717 5.057 4.340 -0.000 0.000 0.271 240 L C -0.099 176.712 176.870 -0.097 0.000 1.057 240 L CA 0.204 54.987 54.840 -0.094 0.000 0.803 240 L CB 1.406 43.456 42.059 -0.014 0.000 1.207 240 L HN 0.901 nan 8.230 nan 0.000 0.445 241 E N 3.573 123.711 120.200 -0.102 0.000 2.448 241 E HA 0.610 4.960 4.350 -0.000 0.000 0.288 241 E C -2.016 174.557 176.600 -0.046 0.000 0.936 241 E CA -0.618 55.737 56.400 -0.074 0.000 0.809 241 E CB 1.144 30.797 29.700 -0.080 0.000 1.408 241 E HN 0.823 nan 8.360 nan 0.000 0.393 242 A N 4.410 127.215 122.820 -0.025 0.000 2.271 242 A HA 0.455 4.775 4.320 -0.000 0.000 0.317 242 A C -0.418 177.157 177.584 -0.015 0.000 1.245 242 A CA -0.656 51.389 52.037 0.014 0.000 0.857 242 A CB 0.956 19.998 19.000 0.069 0.000 1.175 242 A HN 0.716 nan 8.150 nan 0.000 0.512 243 E N 2.270 122.463 120.200 -0.012 0.000 2.151 243 E HA 0.580 4.930 4.350 -0.000 0.000 0.275 243 E C -1.138 175.417 176.600 -0.075 0.000 0.936 243 E CA -0.617 55.739 56.400 -0.072 0.000 0.777 243 E CB 1.448 31.095 29.700 -0.089 0.000 1.108 243 E HN 0.382 nan 8.360 nan 0.000 0.401 244 V N 2.594 122.446 119.914 -0.103 0.000 2.680 244 V HA 0.403 4.523 4.120 -0.000 0.000 0.309 244 V C -0.608 175.477 176.094 -0.015 0.000 1.052 244 V CA -1.034 61.233 62.300 -0.055 0.000 0.908 244 V CB 1.480 33.240 31.823 -0.105 0.000 1.001 244 V HN 0.767 nan 8.190 nan 0.000 0.431 245 Q N 3.959 123.788 119.800 0.048 0.000 2.339 245 Q HA 0.658 4.998 4.340 -0.000 0.000 0.268 245 Q C -0.634 175.444 176.000 0.130 0.000 1.027 245 Q CA -0.682 55.191 55.803 0.118 0.000 0.759 245 Q CB 2.310 31.050 28.738 0.004 0.000 1.244 245 Q HN 0.916 nan 8.270 nan 0.000 0.464 246 M N -0.357 119.389 119.600 0.243 0.000 2.247 246 M HA 0.576 5.056 4.480 -0.000 0.000 0.326 246 M C -0.758 175.448 176.300 -0.158 0.000 1.134 246 M CA -0.115 55.149 55.300 -0.061 0.000 1.136 246 M CB 1.295 33.651 32.600 -0.406 0.000 1.454 246 M HN 0.521 nan 8.290 nan 0.000 0.467 247 C N 1.769 120.960 119.300 -0.181 0.000 2.667 247 C HA 0.985 5.445 4.460 -0.000 0.000 0.323 247 C C 0.696 175.574 174.990 -0.187 0.000 1.214 247 C CA 0.958 59.880 59.018 -0.159 0.000 1.721 247 C CB 1.003 28.667 27.740 -0.126 0.000 2.275 247 C HN 1.314 nan 8.230 nan 0.000 0.491 248 G N 2.432 111.139 108.800 -0.155 0.000 2.460 248 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.207 248 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.207 248 G C -0.775 174.035 174.900 -0.149 0.000 1.170 248 G CA -0.368 44.643 45.100 -0.148 0.000 1.151 248 G HN 0.802 nan 8.290 nan 0.000 0.575 249 E N 0.730 120.837 120.200 -0.155 0.000 2.070 249 E HA 0.499 4.849 4.350 -0.000 0.000 0.261 249 E C 0.341 176.825 176.600 -0.193 0.000 0.926 249 E CA -0.490 55.827 56.400 -0.138 0.000 0.760 249 E CB 0.706 30.353 29.700 -0.088 0.000 1.133 249 E HN 0.448 nan 8.360 nan 0.000 0.420 250 L N 3.735 124.831 121.223 -0.213 0.000 2.615 250 L HA -0.057 4.283 4.340 -0.000 0.000 0.284 250 L C 0.303 177.044 176.870 -0.216 0.000 1.237 250 L CA 1.176 55.858 54.840 -0.263 0.000 0.905 250 L CB 0.146 42.085 42.059 -0.201 0.000 1.149 250 L HN 0.423 nan 8.230 nan 0.000 0.499 251 R N 3.336 123.657 120.500 -0.300 0.000 3.009 251 R HA 0.018 4.358 4.340 -0.000 0.000 0.278 251 R C 0.472 176.570 176.300 -0.336 0.000 1.515 251 R CA -0.347 55.590 56.100 -0.272 0.000 1.055 251 R CB 0.931 31.028 30.300 -0.339 0.000 1.345 251 R HN 0.896 nan 8.270 nan 0.000 0.421 252 D N 2.304 122.673 120.400 -0.052 0.000 4.747 252 D HA -0.308 4.332 4.640 -0.000 0.000 0.192 252 D C 0.771 177.119 176.300 0.080 0.000 1.446 252 D CA 2.343 56.369 54.000 0.043 0.000 0.931 252 D CB -0.106 40.758 40.800 0.107 0.000 0.842 252 D HN 0.692 nan 8.370 nan 0.000 0.589 253 Y N -0.249 120.049 120.300 -0.004 0.000 2.500 253 Y HA 0.406 4.956 4.550 -0.000 0.000 0.270 253 Y C 1.257 177.155 175.900 -0.002 0.000 1.134 253 Y CA -0.919 57.182 58.100 0.002 0.000 1.293 253 Y CB -0.554 37.908 38.460 0.003 0.000 1.063 253 Y HN -0.160 nan 8.280 nan 0.000 0.534 254 L N 3.035 124.001 121.223 -0.428 0.000 2.534 254 L HA 0.148 4.488 4.340 -0.000 0.000 0.271 254 L C 0.134 176.925 176.870 -0.132 0.000 1.178 254 L CA 0.341 55.000 54.840 -0.301 0.000 0.907 254 L CB 0.159 42.028 42.059 -0.316 0.000 1.164 254 L HN 0.174 nan 8.230 nan 0.000 0.482 255 R N 2.139 122.472 120.500 -0.277 0.000 2.875 255 R HA 0.782 5.122 4.340 -0.000 0.000 0.251 255 R C -1.252 174.702 176.300 -0.576 0.000 1.123 255 R CA -0.729 55.134 56.100 -0.394 0.000 1.064 255 R CB 2.001 32.129 30.300 -0.287 0.000 1.205 255 R HN 0.301 nan 8.270 nan 0.000 0.503 256 V N 0.779 120.465 119.914 -0.381 0.000 2.577 256 V HA 0.368 4.488 4.120 -0.000 0.000 0.294 256 V C -1.072 174.986 176.094 -0.059 0.000 1.052 256 V CA -0.824 61.330 62.300 -0.242 0.000 0.891 256 V CB 1.901 33.532 31.823 -0.321 0.000 1.017 256 V HN 0.796 nan 8.190 nan 0.000 0.436 257 T N 3.704 118.325 114.554 0.112 0.000 2.823 257 T HA 0.707 5.057 4.350 -0.000 0.000 0.279 257 T C -0.468 174.246 174.700 0.023 0.000 0.998 257 T CA -0.629 61.529 62.100 0.096 0.000 0.994 257 T CB 2.179 71.142 68.868 0.159 0.000 0.960 257 T HN 0.328 nan 8.240 nan 0.000 0.448 258 V N 3.543 123.449 119.914 -0.013 0.000 2.398 258 V HA 0.409 4.529 4.120 -0.000 0.000 0.282 258 V C -0.233 175.831 176.094 -0.051 0.000 1.014 258 V CA -0.830 61.459 62.300 -0.018 0.000 0.838 258 V CB 1.545 33.356 31.823 -0.020 0.000 1.018 258 V HN 1.089 nan 8.190 nan 0.000 0.432 259 S N 5.726 121.392 115.700 -0.057 0.000 2.462 259 S HA 0.759 5.229 4.470 -0.000 0.000 0.294 259 S C -0.821 173.657 174.600 -0.204 0.000 1.144 259 S CA -0.697 57.385 58.200 -0.196 0.000 1.088 259 S CB 2.021 65.091 63.200 -0.216 0.000 1.009 259 S HN 0.374 nan 8.310 nan 0.000 0.484 260 L N 3.210 124.250 121.223 -0.306 0.000 2.265 260 L HA 0.540 4.880 4.340 -0.000 0.000 0.289 260 L C -1.424 175.300 176.870 -0.245 0.000 1.033 260 L CA -0.781 53.958 54.840 -0.168 0.000 0.814 260 L CB 0.176 42.151 42.059 -0.139 0.000 1.203 260 L HN 0.858 nan 8.230 nan 0.000 0.423 261 W N 4.397 125.770 121.300 0.121 0.000 2.361 261 W HA 0.427 5.087 4.660 -0.000 0.000 0.314 261 W C 0.097 176.747 176.519 0.219 0.000 1.041 261 W CA -0.691 56.732 57.345 0.129 0.000 1.241 261 W CB 1.260 30.761 29.460 0.068 0.000 1.279 261 W HN 0.473 nan 8.180 nan 0.000 0.436 262 Q N 4.134 124.227 119.800 0.488 0.000 2.963 262 Q HA 0.454 4.794 4.340 -0.000 0.000 0.262 262 Q C 0.877 176.995 176.000 0.197 0.000 1.318 262 Q CA 0.834 56.812 55.803 0.292 0.000 1.089 262 Q CB -0.054 28.847 28.738 0.270 0.000 1.424 262 Q HN 0.725 nan 8.270 nan 0.000 0.560 263 G N 2.024 110.920 108.800 0.161 0.000 2.652 263 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.278 263 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.278 263 G C 0.501 175.444 174.900 0.072 0.000 1.263 263 G CA 0.259 45.405 45.100 0.077 0.000 0.966 263 G HN 0.552 nan 8.290 nan 0.000 0.544 264 E N 0.960 121.209 120.200 0.082 0.000 2.489 264 E HA 0.203 4.553 4.350 -0.000 0.000 0.204 264 E C 0.216 177.017 176.600 0.335 0.000 1.006 264 E CA 0.553 56.973 56.400 0.033 0.000 0.936 264 E CB 0.451 30.135 29.700 -0.027 0.000 1.002 264 E HN 0.479 nan 8.360 nan 0.000 0.488 265 T N 1.512 116.291 114.554 0.376 0.000 2.814 265 T HA 0.073 4.423 4.350 -0.000 0.000 0.297 265 T C 0.003 174.980 174.700 0.461 0.000 0.956 265 T CA -0.228 62.090 62.100 0.363 0.000 1.123 265 T CB 1.427 70.408 68.868 0.188 0.000 0.902 265 T HN -0.004 nan 8.240 nan 0.000 0.528 266 Q N 2.792 122.624 119.800 0.053 0.000 2.314 266 Q HA 0.251 4.591 4.340 -0.000 0.000 0.257 266 Q C 0.568 176.321 176.000 -0.413 0.000 0.975 266 Q CA -0.450 54.785 55.803 -0.947 0.000 0.933 266 Q CB 0.802 28.614 28.738 -1.542 0.000 1.195 266 Q HN 0.694 nan 8.270 nan 0.000 0.426 267 V N 1.714 121.418 119.914 -0.350 0.000 2.825 267 V HA 0.386 4.506 4.120 -0.000 0.000 0.246 267 V C 0.559 176.515 176.094 -0.230 0.000 1.068 267 V CA 0.812 62.995 62.300 -0.194 0.000 1.088 267 V CB -0.215 31.557 31.823 -0.086 0.000 0.733 267 V HN 0.698 nan 8.190 nan 0.000 0.468 268 A N -1.103 121.531 122.820 -0.310 0.000 2.599 268 A HA 0.852 5.172 4.320 -0.000 0.000 0.290 268 A C -0.665 176.749 177.584 -0.283 0.000 1.101 268 A CA 0.137 52.026 52.037 -0.247 0.000 0.674 268 A CB 1.888 20.779 19.000 -0.181 0.000 1.277 268 A HN 0.319 nan 8.150 nan 0.000 0.419 269 S N -1.609 113.977 115.700 -0.191 0.000 2.678 269 S HA 0.616 5.086 4.470 -0.000 0.000 0.290 269 S C -0.756 173.785 174.600 -0.099 0.000 1.047 269 S CA 0.189 58.299 58.200 -0.151 0.000 0.851 269 S CB 1.111 64.210 63.200 -0.169 0.000 1.058 269 S HN 2.381 nan 8.310 nan 0.000 0.451 270 G N 1.741 110.496 108.800 -0.074 0.000 2.667 270 G HA2 0.702 4.662 3.960 -0.000 0.000 0.298 270 G HA3 0.702 4.662 3.960 -0.000 0.000 0.298 270 G C -1.287 173.590 174.900 -0.038 0.000 1.377 270 G CA -0.444 44.621 45.100 -0.058 0.000 0.964 270 G HN 0.774 nan 8.290 nan 0.000 0.493 271 T N -0.509 114.028 114.554 -0.028 0.000 2.900 271 T HA 0.906 5.256 4.350 -0.000 0.000 0.295 271 T C -0.119 174.559 174.700 -0.037 0.000 1.044 271 T CA -0.018 62.075 62.100 -0.012 0.000 0.995 271 T CB 1.922 70.825 68.868 0.059 0.000 1.072 271 T HN 1.805 nan 8.240 nan 0.000 0.473 272 A N 2.419 125.200 122.820 -0.066 0.000 2.483 272 A HA 0.900 5.220 4.320 -0.000 0.000 0.294 272 A C -3.288 174.227 177.584 -0.114 0.000 1.077 272 A CA -1.243 50.746 52.037 -0.079 0.000 0.633 272 A CB 0.574 19.514 19.000 -0.100 0.000 1.318 272 A HN 0.574 nan 8.150 nan 0.000 0.455 273 P HA 0.736 nan 4.420 nan 0.000 0.288 273 P C -0.462 176.787 177.300 -0.085 0.000 1.300 273 P CA -0.583 62.489 63.100 -0.047 0.000 0.910 273 P CB 0.485 32.191 31.700 0.010 0.000 1.256 274 F N 0.411 120.311 119.950 -0.083 0.000 2.290 274 F HA 0.380 4.907 4.527 -0.000 0.000 0.282 274 F C 1.601 177.379 175.800 -0.037 0.000 1.251 274 F CA 1.640 59.602 58.000 -0.065 0.000 1.269 274 F CB -0.754 38.199 39.000 -0.077 0.000 1.455 274 F HN 0.566 nan 8.300 nan 0.000 0.501 275 G N 0.379 109.329 108.800 0.249 0.000 3.347 275 G HA2 0.143 4.103 3.960 -0.000 0.000 0.597 275 G HA3 0.143 4.103 3.960 -0.000 0.000 0.597 275 G C 0.073 175.016 174.900 0.072 0.000 0.831 275 G CA -0.441 44.738 45.100 0.131 0.000 0.778 275 G HN 1.051 nan 8.290 nan 0.000 0.459 276 G N 1.323 110.177 108.800 0.089 0.000 2.485 276 G HA2 0.597 4.557 3.960 -0.000 0.000 0.260 276 G HA3 0.597 4.557 3.960 -0.000 0.000 0.260 276 G C 0.212 175.129 174.900 0.028 0.000 1.459 276 G CA -0.024 45.114 45.100 0.063 0.000 1.060 276 G HN 0.887 nan 8.290 nan 0.000 0.546 277 E N -1.263 118.952 120.200 0.025 0.000 2.250 277 E HA 0.389 4.739 4.350 -0.000 0.000 0.265 277 E C -0.427 176.173 176.600 -0.000 0.000 1.033 277 E CA -0.625 55.778 56.400 0.006 0.000 0.888 277 E CB 1.760 31.461 29.700 0.001 0.000 1.151 277 E HN 0.233 nan 8.360 nan 0.000 0.412 278 I N 2.269 122.832 120.570 -0.013 0.000 2.710 278 I HA -0.116 4.054 4.170 -0.000 0.000 0.286 278 I C 1.233 177.340 176.117 -0.016 0.000 1.181 278 I CA 0.776 62.061 61.300 -0.025 0.000 1.430 278 I CB 0.271 38.254 38.000 -0.027 0.000 1.367 278 I HN 0.587 nan 8.210 nan 0.000 0.577 279 I N 1.817 122.370 120.570 -0.029 0.000 3.136 279 I HA 0.248 4.418 4.170 -0.000 0.000 0.262 279 I C 0.245 176.350 176.117 -0.021 0.000 1.132 279 I CA 0.166 61.462 61.300 -0.008 0.000 1.450 279 I CB 0.275 38.294 38.000 0.030 0.000 1.315 279 I HN 0.577 nan 8.210 nan 0.000 0.460 280 D N 0.365 120.739 120.400 -0.045 0.000 2.727 280 D HA 0.194 4.834 4.640 -0.000 0.000 0.264 280 D C 0.727 177.002 176.300 -0.041 0.000 1.101 280 D CA -0.375 53.603 54.000 -0.037 0.000 1.122 280 D CB 0.915 41.694 40.800 -0.036 0.000 1.390 280 D HN -0.019 nan 8.370 nan 0.000 0.606 281 E N -0.578 119.602 120.200 -0.034 0.000 2.086 281 E HA -0.192 4.158 4.350 -0.000 0.000 0.200 281 E C 1.868 178.443 176.600 -0.041 0.000 1.012 281 E CA 1.860 58.241 56.400 -0.032 0.000 0.812 281 E CB -0.056 29.628 29.700 -0.027 0.000 0.743 281 E HN 0.362 nan 8.360 nan 0.000 0.453 282 R N -0.572 119.897 120.500 -0.053 0.000 2.307 282 R HA 0.201 4.541 4.340 -0.000 0.000 0.199 282 R C 1.166 177.418 176.300 -0.081 0.000 1.000 282 R CA 0.605 56.667 56.100 -0.064 0.000 1.023 282 R CB 0.287 30.548 30.300 -0.066 0.000 0.908 282 R HN 0.238 nan 8.270 nan 0.000 0.473 283 G N -0.159 108.590 108.800 -0.084 0.000 2.545 283 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.211 283 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.211 283 G C -0.165 174.653 174.900 -0.137 0.000 1.167 283 G CA -0.623 44.422 45.100 -0.091 0.000 1.151 283 G HN 0.510 nan 8.290 nan 0.000 0.581 284 G N -1.938 106.757 108.800 -0.175 0.000 3.058 284 G HA2 0.632 4.592 3.960 -0.000 0.000 0.282 284 G HA3 0.632 4.592 3.960 -0.000 0.000 0.282 284 G C -1.621 173.002 174.900 -0.460 0.000 1.248 284 G CA -0.541 44.397 45.100 -0.270 0.000 0.822 284 G HN 0.801 nan 8.290 nan 0.000 0.579 285 Y N 1.087 121.394 120.300 0.012 0.000 2.383 285 Y HA 0.489 5.039 4.550 -0.000 0.000 0.344 285 Y C 1.366 177.294 175.900 0.047 0.000 0.986 285 Y CA 0.126 58.242 58.100 0.026 0.000 1.175 285 Y CB 1.708 40.188 38.460 0.032 0.000 1.152 285 Y HN 0.544 nan 8.280 nan 0.000 0.511 286 A N 1.938 124.832 122.820 0.124 0.000 1.930 286 A HA -0.110 4.210 4.320 -0.000 0.000 0.215 286 A C 1.216 178.913 177.584 0.189 0.000 1.176 286 A CA 1.256 53.354 52.037 0.101 0.000 0.632 286 A CB -0.275 18.736 19.000 0.020 0.000 0.819 286 A HN 0.766 nan 8.150 nan 0.000 0.445 287 D N -0.480 120.027 120.400 0.177 0.000 2.676 287 D HA 0.222 4.862 4.640 -0.000 0.000 0.239 287 D C 0.499 177.084 176.300 0.474 0.000 1.213 287 D CA 0.043 54.117 54.000 0.122 0.000 0.835 287 D CB -0.083 40.718 40.800 0.002 0.000 1.009 287 D HN 0.356 nan 8.370 nan 0.000 0.479 288 R N -0.932 119.937 120.500 0.615 0.000 2.906 288 R HA 0.747 5.087 4.340 -0.000 0.000 0.258 288 R C -1.732 174.526 176.300 -0.070 0.000 1.156 288 R CA -1.293 54.971 56.100 0.274 0.000 0.996 288 R CB 2.693 33.082 30.300 0.147 0.000 1.259 288 R HN -0.033 nan 8.270 nan 0.000 0.462 289 V N 0.414 120.206 119.914 -0.203 0.000 2.841 289 V HA 0.183 4.303 4.120 -0.000 0.000 0.251 289 V C -1.886 174.088 176.094 -0.201 0.000 1.757 289 V CA -0.416 61.711 62.300 -0.288 0.000 0.865 289 V CB 1.799 33.318 31.823 -0.506 0.000 1.254 289 V HN 0.772 nan 8.190 nan 0.000 0.483 290 T N 8.336 122.813 114.554 -0.128 0.000 2.749 290 T HA 0.721 5.071 4.350 -0.000 0.000 0.287 290 T C -0.221 174.424 174.700 -0.092 0.000 0.970 290 T CA -0.162 61.882 62.100 -0.094 0.000 0.980 290 T CB 1.085 69.918 68.868 -0.059 0.000 0.924 290 T HN 0.565 nan 8.240 nan 0.000 0.456 291 L N 3.161 124.332 121.223 -0.085 0.000 2.400 291 L HA 0.638 4.978 4.340 -0.000 0.000 0.264 291 L C 0.767 177.598 176.870 -0.065 0.000 1.061 291 L CA -0.516 54.278 54.840 -0.077 0.000 0.799 291 L CB 0.760 42.774 42.059 -0.075 0.000 1.240 291 L HN 0.471 nan 8.230 nan 0.000 0.461 292 R N 1.581 122.043 120.500 -0.065 0.000 2.850 292 R HA 0.411 4.751 4.340 -0.000 0.000 0.266 292 R C -1.663 174.597 176.300 -0.067 0.000 1.782 292 R CA -0.344 55.717 56.100 -0.066 0.000 1.310 292 R CB 0.603 30.865 30.300 -0.063 0.000 1.337 292 R HN 0.433 nan 8.270 nan 0.000 0.546 293 L N 1.048 122.230 121.223 -0.068 0.000 2.305 293 L HA 0.466 4.806 4.340 -0.000 0.000 0.281 293 L C 0.095 176.921 176.870 -0.073 0.000 1.085 293 L CA -0.881 53.916 54.840 -0.072 0.000 0.813 293 L CB 0.535 42.548 42.059 -0.077 0.000 1.157 293 L HN 0.211 nan 8.230 nan 0.000 0.436 294 N N 2.013 120.666 118.700 -0.079 0.000 2.426 294 N HA 0.502 5.242 4.740 -0.000 0.000 0.275 294 N C -0.896 174.557 175.510 -0.095 0.000 1.019 294 N CA -0.250 52.752 53.050 -0.080 0.000 0.941 294 N CB 2.163 40.608 38.487 -0.070 0.000 1.123 294 N HN 0.319 nan 8.380 nan 0.000 0.486 295 V N 1.792 121.643 119.914 -0.104 0.000 2.604 295 V HA 0.361 4.481 4.120 -0.000 0.000 0.305 295 V C 0.021 176.051 176.094 -0.106 0.000 1.043 295 V CA -0.777 61.435 62.300 -0.146 0.000 0.888 295 V CB 2.036 33.699 31.823 -0.265 0.000 0.995 295 V HN 0.560 nan 8.190 nan 0.000 0.429 296 E N 3.001 123.148 120.200 -0.089 0.000 2.191 296 E HA 0.398 4.748 4.350 -0.000 0.000 0.274 296 E C -0.074 176.505 176.600 -0.034 0.000 0.948 296 E CA -0.481 55.892 56.400 -0.045 0.000 0.802 296 E CB 0.770 30.453 29.700 -0.029 0.000 1.137 296 E HN 0.762 nan 8.360 nan 0.000 0.397 297 N N 2.667 121.373 118.700 0.010 0.000 2.699 297 N HA -0.149 4.591 4.740 -0.000 0.000 0.256 297 N C -2.296 173.226 175.510 0.019 0.000 0.993 297 N CA -0.221 52.851 53.050 0.036 0.000 0.759 297 N CB -1.175 37.333 38.487 0.035 0.000 0.906 297 N HN 0.366 nan 8.380 nan 0.000 0.541 298 P HA 0.020 nan 4.420 nan 0.000 0.276 298 P C -0.017 177.317 177.300 0.057 0.000 1.264 298 P CA 0.456 63.483 63.100 -0.123 0.000 0.815 298 P CB 0.603 32.118 31.700 -0.309 0.000 1.121 299 K N 0.030 120.523 120.400 0.155 0.000 2.483 299 K HA 0.398 4.718 4.320 -0.000 0.000 0.256 299 K C -0.452 176.289 176.600 0.235 0.000 0.961 299 K CA -0.464 55.916 56.287 0.154 0.000 0.873 299 K CB 0.381 32.898 32.500 0.029 0.000 1.107 299 K HN 0.299 nan 8.250 nan 0.000 0.432 300 L N 2.404 123.711 121.223 0.140 0.000 2.439 300 L HA 0.307 4.647 4.340 -0.000 0.000 0.269 300 L C -0.289 176.669 176.870 0.147 0.000 1.179 300 L CA -0.382 54.538 54.840 0.134 0.000 0.828 300 L CB 0.411 42.408 42.059 -0.102 0.000 1.106 300 L HN 0.629 nan 8.230 nan 0.000 0.467 301 W N 3.138 124.429 121.300 -0.015 0.000 2.417 301 W HA 0.543 5.203 4.660 -0.000 0.000 0.315 301 W C -0.445 176.023 176.519 -0.085 0.000 1.045 301 W CA -0.328 57.003 57.345 -0.022 0.000 1.221 301 W CB 1.470 30.976 29.460 0.077 0.000 1.309 301 W HN 0.584 nan 8.180 nan 0.000 0.453 302 S N 3.409 118.755 115.700 -0.590 0.000 2.671 302 S HA 0.728 5.197 4.470 -0.000 0.000 0.299 302 S C 0.445 174.425 174.600 -1.033 0.000 1.116 302 S CA -0.383 57.471 58.200 -0.576 0.000 0.912 302 S CB 1.568 64.599 63.200 -0.282 0.000 1.130 302 S HN 0.746 nan 8.310 nan 0.000 0.501 303 A N 0.397 122.785 122.820 -0.719 0.000 1.968 303 A HA 0.021 4.341 4.320 -0.000 0.000 0.217 303 A C 1.813 179.042 177.584 -0.592 0.000 1.169 303 A CA 1.073 52.572 52.037 -0.896 0.000 0.638 303 A CB -0.871 17.377 19.000 -1.252 0.000 0.812 303 A HN 0.891 nan 8.150 nan 0.000 0.446 304 E N -0.203 119.755 120.200 -0.402 0.000 2.007 304 E HA -0.066 4.284 4.350 -0.000 0.000 0.194 304 E C 0.023 176.412 176.600 -0.352 0.000 0.999 304 E CA 0.932 57.107 56.400 -0.376 0.000 0.811 304 E CB -0.170 29.366 29.700 -0.275 0.000 0.762 304 E HN 0.585 nan 8.360 nan 0.000 0.450 305 I N 2.139 122.518 120.570 -0.320 0.000 2.697 305 I HA 0.147 4.316 4.170 -0.000 0.000 0.279 305 I C -2.319 173.605 176.117 -0.322 0.000 1.171 305 I CA -1.925 59.221 61.300 -0.257 0.000 1.135 305 I CB 1.273 39.174 38.000 -0.166 0.000 1.445 305 I HN -0.192 nan 8.210 nan 0.000 0.541 306 P HA -0.079 nan 4.420 nan 0.000 0.292 306 P C -0.223 177.152 177.300 0.126 0.000 1.493 306 P CA 0.239 63.094 63.100 -0.407 0.000 0.786 306 P CB -0.654 30.955 31.700 -0.151 0.000 1.716 307 N N 0.777 119.538 118.700 0.102 0.000 2.294 307 N HA -0.017 4.723 4.740 -0.000 0.000 0.263 307 N C 0.144 175.818 175.510 0.273 0.000 1.281 307 N CA 0.868 53.994 53.050 0.128 0.000 0.846 307 N CB 0.206 38.735 38.487 0.069 0.000 1.061 307 N HN 0.220 nan 8.380 nan 0.000 0.478 308 L N 2.212 123.480 121.223 0.075 0.000 2.309 308 L HA 0.526 4.866 4.340 -0.000 0.000 0.261 308 L C -0.970 175.850 176.870 -0.084 0.000 1.021 308 L CA -0.860 54.042 54.840 0.103 0.000 0.823 308 L CB 1.399 43.536 42.059 0.130 0.000 1.366 308 L HN 0.444 nan 8.230 nan 0.000 0.423 309 Y N -0.080 120.327 120.300 0.179 0.000 2.524 309 Y HA 0.473 5.023 4.550 -0.000 0.000 0.347 309 Y C -0.347 175.657 175.900 0.175 0.000 1.005 309 Y CA -0.723 57.487 58.100 0.183 0.000 1.025 309 Y CB 2.209 40.805 38.460 0.227 0.000 1.275 309 Y HN 0.381 nan 8.280 nan 0.000 0.460 310 R N 1.645 122.368 120.500 0.373 0.000 2.294 310 R HA 0.836 5.176 4.340 -0.000 0.000 0.319 310 R C -1.226 175.272 176.300 0.330 0.000 0.984 310 R CA -0.575 55.702 56.100 0.295 0.000 0.861 310 R CB 0.833 31.241 30.300 0.181 0.000 1.104 310 R HN 0.791 nan 8.270 nan 0.000 0.451 311 A N 4.443 127.409 122.820 0.243 0.000 2.287 311 A HA 0.503 4.823 4.320 -0.000 0.000 0.317 311 A C -0.799 176.905 177.584 0.199 0.000 1.220 311 A CA -0.678 51.490 52.037 0.219 0.000 0.835 311 A CB 1.061 20.181 19.000 0.201 0.000 1.180 311 A HN 0.508 nan 8.150 nan 0.000 0.500 312 V N 1.304 121.325 119.914 0.178 0.000 2.495 312 V HA 0.619 4.739 4.120 -0.000 0.000 0.298 312 V C -0.246 175.872 176.094 0.040 0.000 1.031 312 V CA -0.731 61.630 62.300 0.102 0.000 0.871 312 V CB 1.394 33.270 31.823 0.089 0.000 0.988 312 V HN 0.484 nan 8.190 nan 0.000 0.432 313 V N 4.248 124.134 119.914 -0.047 0.000 2.220 313 V HA 0.280 4.400 4.120 -0.000 0.000 0.265 313 V C 0.281 176.318 176.094 -0.094 0.000 1.078 313 V CA -0.338 61.880 62.300 -0.138 0.000 0.872 313 V CB 0.365 31.930 31.823 -0.430 0.000 1.121 313 V HN 1.025 nan 8.190 nan 0.000 0.460 314 E N 3.896 124.100 120.200 0.007 0.000 1.932 314 E HA 0.210 4.561 4.350 -0.000 0.000 0.275 314 E C -0.258 176.443 176.600 0.168 0.000 1.159 314 E CA -0.539 55.925 56.400 0.106 0.000 0.905 314 E CB 1.007 30.797 29.700 0.150 0.000 1.059 314 E HN 0.467 nan 8.360 nan 0.000 0.400 315 L N 5.840 127.093 121.223 0.050 0.000 2.342 315 L HA 0.134 4.474 4.340 -0.000 0.000 0.285 315 L C -0.212 176.679 176.870 0.036 0.000 1.095 315 L CA 0.244 55.073 54.840 -0.019 0.000 0.843 315 L CB -0.385 41.642 42.059 -0.052 0.000 1.201 315 L HN 0.515 nan 8.230 nan 0.000 0.445 316 H N 1.371 120.442 119.070 0.002 0.000 3.220 316 H HA 0.683 5.239 4.556 -0.000 0.000 0.299 316 H C -0.820 174.522 175.328 0.023 0.000 1.604 316 H CA -0.285 55.770 56.048 0.012 0.000 1.260 316 H CB 0.741 30.515 29.762 0.019 0.000 1.846 316 H HN 0.473 nan 8.280 nan 0.000 0.632 317 T N -3.108 111.588 114.554 0.236 0.000 2.945 317 T HA 0.545 4.895 4.350 -0.000 0.000 0.286 317 T C 1.372 176.244 174.700 0.286 0.000 1.025 317 T CA -0.236 61.996 62.100 0.221 0.000 1.039 317 T CB 1.667 70.709 68.868 0.290 0.000 1.068 317 T HN 0.777 nan 8.240 nan 0.000 0.497 318 A N 1.410 124.374 122.820 0.240 0.000 1.948 318 A HA -0.152 4.168 4.320 -0.000 0.000 0.220 318 A C 1.857 179.538 177.584 0.161 0.000 1.177 318 A CA 2.326 54.476 52.037 0.189 0.000 0.636 318 A CB -1.331 17.777 19.000 0.179 0.000 0.815 318 A HN 1.046 nan 8.150 nan 0.000 0.449 319 D N -2.707 117.782 120.400 0.148 0.000 2.312 319 D HA 0.271 4.911 4.640 -0.000 0.000 0.211 319 D C 1.162 177.513 176.300 0.086 0.000 0.964 319 D CA 1.269 55.325 54.000 0.093 0.000 0.877 319 D CB -0.341 40.496 40.800 0.062 0.000 0.924 319 D HN 0.914 nan 8.370 nan 0.000 0.515 320 G N -1.318 107.563 108.800 0.135 0.000 2.138 320 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.193 320 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.193 320 G C 0.119 175.044 174.900 0.042 0.000 0.998 320 G CA 0.043 45.173 45.100 0.050 0.000 0.668 320 G HN 0.381 nan 8.290 nan 0.000 0.516 321 T N 1.480 116.102 114.554 0.112 0.000 2.723 321 T HA 0.489 4.839 4.350 -0.000 0.000 0.297 321 T C 0.633 175.415 174.700 0.138 0.000 0.925 321 T CA -0.234 61.924 62.100 0.096 0.000 1.030 321 T CB 1.089 70.011 68.868 0.091 0.000 0.905 321 T HN 0.558 nan 8.240 nan 0.000 0.502 322 L N 4.922 126.204 121.223 0.099 0.000 2.455 322 L HA 0.201 4.541 4.340 -0.000 0.000 0.272 322 L C 0.630 177.557 176.870 0.095 0.000 1.174 322 L CA -0.213 54.702 54.840 0.125 0.000 0.869 322 L CB 0.359 42.462 42.059 0.074 0.000 1.130 322 L HN 0.578 nan 8.230 nan 0.000 0.474 323 I N 3.413 124.035 120.570 0.088 0.000 2.703 323 I HA 0.210 4.380 4.170 -0.000 0.000 0.259 323 I C 0.748 176.867 176.117 0.004 0.000 1.151 323 I CA 0.787 62.103 61.300 0.028 0.000 1.470 323 I CB -0.291 37.702 38.000 -0.012 0.000 1.112 323 I HN 0.770 nan 8.210 nan 0.000 0.437 324 E N -1.026 119.185 120.200 0.020 0.000 2.395 324 E HA 0.597 4.947 4.350 -0.000 0.000 0.273 324 E C -1.973 174.648 176.600 0.036 0.000 1.206 324 E CA -0.472 55.937 56.400 0.015 0.000 0.899 324 E CB 0.795 30.459 29.700 -0.060 0.000 1.405 324 E HN -0.075 nan 8.360 nan 0.000 0.418 325 A N 1.532 124.396 122.820 0.073 0.000 2.574 325 A HA 0.731 5.051 4.320 -0.000 0.000 0.297 325 A C -1.546 176.146 177.584 0.179 0.000 1.062 325 A CA -0.640 51.446 52.037 0.082 0.000 0.686 325 A CB 1.967 21.004 19.000 0.062 0.000 1.285 325 A HN 0.391 nan 8.150 nan 0.000 0.403 326 E N -0.493 119.743 120.200 0.060 0.000 2.408 326 E HA 0.784 5.134 4.350 -0.000 0.000 0.275 326 E C -0.548 176.086 176.600 0.057 0.000 0.935 326 E CA -0.437 56.051 56.400 0.145 0.000 0.775 326 E CB 2.471 32.143 29.700 -0.046 0.000 1.277 326 E HN 1.291 nan 8.360 nan 0.000 0.455 327 A N 0.105 123.058 122.820 0.222 0.000 2.567 327 A HA 0.896 5.216 4.320 -0.000 0.000 0.289 327 A C -1.090 176.693 177.584 0.333 0.000 1.177 327 A CA -0.268 51.881 52.037 0.187 0.000 0.694 327 A CB 1.158 20.113 19.000 -0.074 0.000 1.292 327 A HN 1.004 nan 8.150 nan 0.000 0.425 328 C N -1.097 118.342 119.300 0.231 0.000 3.253 328 C HA 0.673 5.133 4.460 -0.000 0.000 0.342 328 C C -1.794 173.279 174.990 0.138 0.000 1.306 328 C CA -1.018 58.106 59.018 0.176 0.000 1.207 328 C CB 0.771 28.579 27.740 0.114 0.000 1.479 328 C HN 0.829 nan 8.230 nan 0.000 0.469 329 D N 1.317 121.781 120.400 0.107 0.000 2.210 329 D HA 0.520 5.160 4.640 -0.000 0.000 0.249 329 D C -0.468 175.881 176.300 0.081 0.000 1.078 329 D CA 0.101 54.167 54.000 0.111 0.000 0.875 329 D CB 2.089 42.950 40.800 0.102 0.000 1.175 329 D HN 0.604 nan 8.370 nan 0.000 0.440 330 V N 0.944 120.955 119.914 0.161 0.000 2.378 330 V HA 0.532 4.652 4.120 -0.000 0.000 0.288 330 V C 0.678 176.936 176.094 0.272 0.000 1.016 330 V CA -1.020 61.378 62.300 0.164 0.000 0.840 330 V CB 1.582 33.538 31.823 0.222 0.000 0.994 330 V HN 0.578 nan 8.190 nan 0.000 0.431 331 G N 2.871 111.670 108.800 -0.001 0.000 2.322 331 G HA2 0.594 4.554 3.960 -0.000 0.000 0.309 331 G HA3 0.594 4.554 3.960 -0.000 0.000 0.309 331 G C -0.980 173.933 174.900 0.021 0.000 1.121 331 G CA -0.278 44.789 45.100 -0.054 0.000 0.886 331 G HN 0.516 nan 8.290 nan 0.000 0.447 332 F N 2.609 122.694 119.950 0.225 0.000 2.344 332 F HA 0.435 4.962 4.527 -0.000 0.000 0.344 332 F C 0.736 176.717 175.800 0.302 0.000 1.140 332 F CA -0.715 57.491 58.000 0.343 0.000 1.256 332 F CB 0.678 39.921 39.000 0.405 0.000 1.573 332 F HN 0.509 nan 8.300 nan 0.000 0.547 333 R N -0.356 120.310 120.500 0.276 0.000 2.740 333 R HA 0.512 4.852 4.340 -0.000 0.000 0.273 333 R C -1.306 175.039 176.300 0.075 0.000 0.998 333 R CA -1.034 55.127 56.100 0.102 0.000 0.900 333 R CB 1.273 31.684 30.300 0.184 0.000 1.223 333 R HN 0.259 nan 8.270 nan 0.000 0.466 334 E N 1.808 121.982 120.200 -0.043 0.000 2.092 334 E HA 0.289 4.639 4.350 -0.000 0.000 0.271 334 E C -1.013 175.609 176.600 0.036 0.000 0.919 334 E CA -0.867 55.570 56.400 0.061 0.000 0.760 334 E CB 1.367 31.148 29.700 0.134 0.000 1.106 334 E HN 0.464 nan 8.360 nan 0.000 0.408 335 V N 6.202 126.136 119.914 0.033 0.000 2.304 335 V HA 0.321 4.441 4.120 -0.000 0.000 0.262 335 V C 0.194 176.296 176.094 0.013 0.000 1.061 335 V CA -0.281 62.019 62.300 -0.001 0.000 0.872 335 V CB 0.314 32.118 31.823 -0.032 0.000 1.077 335 V HN 0.582 nan 8.190 nan 0.000 0.480 336 R N 3.906 124.417 120.500 0.019 0.000 2.437 336 R HA 0.607 4.947 4.340 -0.000 0.000 0.310 336 R C -0.759 175.547 176.300 0.010 0.000 0.955 336 R CA -0.645 55.471 56.100 0.026 0.000 0.851 336 R CB 1.875 32.206 30.300 0.051 0.000 1.161 336 R HN 0.601 nan 8.270 nan 0.000 0.446 337 I N 3.245 123.822 120.570 0.011 0.000 2.291 337 I HA 0.140 4.310 4.170 -0.000 0.000 0.292 337 I C -0.178 175.944 176.117 0.010 0.000 1.064 337 I CA 0.112 61.415 61.300 0.004 0.000 1.269 337 I CB 1.058 39.062 38.000 0.008 0.000 1.418 337 I HN 0.545 nan 8.210 nan 0.000 0.485 338 E N 6.907 127.110 120.200 0.005 0.000 2.218 338 E HA 0.230 4.580 4.350 -0.000 0.000 0.263 338 E C -0.033 176.568 176.600 0.001 0.000 0.879 338 E CA -0.516 55.889 56.400 0.008 0.000 0.762 338 E CB 0.819 30.529 29.700 0.017 0.000 1.166 338 E HN 0.477 nan 8.360 nan 0.000 0.415 339 N N 3.502 122.203 118.700 0.001 0.000 2.747 339 N HA -0.215 4.525 4.740 -0.000 0.000 0.249 339 N C 0.484 175.988 175.510 -0.010 0.000 1.107 339 N CA 1.810 54.858 53.050 -0.003 0.000 0.707 339 N CB -1.244 37.240 38.487 -0.004 0.000 1.054 339 N HN 1.029 nan 8.380 nan 0.000 0.555 340 G N -1.996 106.798 108.800 -0.011 0.000 2.176 340 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.253 340 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.253 340 G C -0.049 174.831 174.900 -0.032 0.000 0.979 340 G CA 0.499 45.587 45.100 -0.020 0.000 0.641 340 G HN 0.409 nan 8.290 nan 0.000 0.530 341 L N 0.570 121.775 121.223 -0.029 0.000 2.329 341 L HA 0.662 5.002 4.340 -0.000 0.000 0.279 341 L C 0.155 177.001 176.870 -0.040 0.000 1.014 341 L CA -1.229 53.586 54.840 -0.041 0.000 0.814 341 L CB 1.693 43.730 42.059 -0.036 0.000 1.257 341 L HN 0.138 nan 8.230 nan 0.000 0.424 342 L N 5.464 126.652 121.223 -0.058 0.000 2.278 342 L HA 0.455 4.795 4.340 -0.000 0.000 0.287 342 L C -0.592 176.244 176.870 -0.057 0.000 1.072 342 L CA 0.275 55.081 54.840 -0.056 0.000 0.819 342 L CB 0.308 42.322 42.059 -0.076 0.000 1.176 342 L HN 0.366 nan 8.230 nan 0.000 0.435 343 L N 5.248 126.450 121.223 -0.034 0.000 2.313 343 L HA 0.666 5.006 4.340 -0.000 0.000 0.268 343 L C -0.769 176.086 176.870 -0.026 0.000 1.010 343 L CA -1.053 53.773 54.840 -0.023 0.000 0.814 343 L CB 1.784 43.848 42.059 0.008 0.000 1.304 343 L HN 0.634 nan 8.230 nan 0.000 0.441 344 L N 1.711 122.930 121.223 -0.006 0.000 2.516 344 L HA 0.407 4.747 4.340 -0.000 0.000 0.267 344 L C -0.756 176.120 176.870 0.010 0.000 0.957 344 L CA -0.196 54.639 54.840 -0.008 0.000 0.860 344 L CB 1.339 43.377 42.059 -0.035 0.000 1.265 344 L HN 0.690 nan 8.230 nan 0.000 0.403 345 N N 3.693 122.280 118.700 -0.188 0.000 2.708 345 N HA -0.221 4.519 4.740 -0.000 0.000 0.249 345 N C 0.751 175.923 175.510 -0.564 0.000 1.097 345 N CA 1.658 54.335 53.050 -0.621 0.000 0.710 345 N CB -1.257 36.772 38.487 -0.764 0.000 1.032 345 N HN 1.196 nan 8.380 nan 0.000 0.551 346 G N -1.932 106.781 108.800 -0.145 0.000 2.397 346 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.211 346 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.211 346 G C -0.168 174.750 174.900 0.031 0.000 1.077 346 G CA 0.333 45.447 45.100 0.023 0.000 0.649 346 G HN 0.443 nan 8.290 nan 0.000 0.511 347 K N 2.128 122.543 120.400 0.024 0.000 2.118 347 K HA 0.521 4.841 4.320 -0.000 0.000 0.267 347 K C -2.837 173.734 176.600 -0.048 0.000 0.991 347 K CA -1.950 54.315 56.287 -0.036 0.000 0.916 347 K CB 1.960 34.375 32.500 -0.142 0.000 1.041 347 K HN 0.213 nan 8.250 nan 0.000 0.455 348 P HA 0.143 nan 4.420 nan 0.000 0.271 348 P C -0.245 177.001 177.300 -0.089 0.000 1.226 348 P CA -0.035 63.023 63.100 -0.071 0.000 0.765 348 P CB 0.558 32.217 31.700 -0.069 0.000 0.835 349 L N 3.376 124.545 121.223 -0.089 0.000 2.421 349 L HA 0.375 4.715 4.340 -0.000 0.000 0.263 349 L C 0.337 177.158 176.870 -0.082 0.000 1.122 349 L CA -0.950 53.841 54.840 -0.081 0.000 0.804 349 L CB 0.869 42.856 42.059 -0.120 0.000 1.150 349 L HN 0.242 nan 8.230 nan 0.000 0.457 350 L N 3.794 125.005 121.223 -0.019 0.000 2.353 350 L HA 0.388 4.728 4.340 -0.000 0.000 0.270 350 L C -0.401 176.498 176.870 0.048 0.000 1.003 350 L CA -0.344 54.479 54.840 -0.029 0.000 0.862 350 L CB 1.047 43.124 42.059 0.031 0.000 1.221 350 L HN 0.246 nan 8.230 nan 0.000 0.430 351 I N 5.042 125.561 120.570 -0.085 0.000 2.311 351 I HA 0.197 4.367 4.170 -0.000 0.000 0.297 351 I C 0.707 176.828 176.117 0.007 0.000 1.131 351 I CA 0.055 61.331 61.300 -0.039 0.000 1.289 351 I CB -0.080 37.782 38.000 -0.229 0.000 1.446 351 I HN 0.469 nan 8.210 nan 0.000 0.524 352 R N 4.615 125.261 120.500 0.243 0.000 3.266 352 R HA 0.459 4.799 4.340 -0.000 0.000 0.224 352 R C 0.549 177.054 176.300 0.341 0.000 1.525 352 R CA -0.201 56.086 56.100 0.311 0.000 1.364 352 R CB 0.409 30.801 30.300 0.154 0.000 1.276 352 R HN 0.779 nan 8.270 nan 0.000 0.660 353 G N -0.130 108.906 108.800 0.392 0.000 2.694 353 G HA2 0.492 4.452 3.960 -0.000 0.000 0.290 353 G HA3 0.492 4.452 3.960 -0.000 0.000 0.290 353 G C -1.692 173.744 174.900 0.894 0.000 1.386 353 G CA -0.432 45.092 45.100 0.705 0.000 0.872 353 G HN 0.206 nan 8.290 nan 0.000 0.475 354 V N 0.739 121.122 119.914 0.782 0.000 2.588 354 V HA 0.442 4.562 4.120 -0.000 0.000 0.304 354 V C -0.030 176.241 176.094 0.296 0.000 1.042 354 V CA -1.080 61.509 62.300 0.481 0.000 0.877 354 V CB 1.379 33.261 31.823 0.098 0.000 0.996 354 V HN 0.796 nan 8.190 nan 0.000 0.425 355 N N 4.922 123.807 118.700 0.309 0.000 2.381 355 N HA 0.324 5.064 4.740 -0.000 0.000 0.241 355 N C -0.373 175.118 175.510 -0.031 0.000 1.279 355 N CA 0.077 53.224 53.050 0.161 0.000 0.896 355 N CB 0.602 39.297 38.487 0.347 0.000 1.118 355 N HN 0.704 nan 8.380 nan 0.000 0.438 356 R N 1.106 121.553 120.500 -0.088 0.000 2.633 356 R HA 0.215 4.555 4.340 -0.000 0.000 0.256 356 R C -1.702 174.549 176.300 -0.082 0.000 1.131 356 R CA -0.555 55.489 56.100 -0.093 0.000 0.994 356 R CB 0.614 30.822 30.300 -0.154 0.000 1.261 356 R HN 0.603 nan 8.270 nan 0.000 0.446 357 H N 1.077 120.034 119.070 -0.190 0.000 2.810 357 H HA 0.374 4.930 4.556 -0.000 0.000 0.316 357 H C -0.596 174.712 175.328 -0.034 0.000 1.426 357 H CA -0.742 55.261 56.048 -0.075 0.000 1.413 357 H CB 1.107 30.877 29.762 0.014 0.000 1.874 357 H HN 0.459 nan 8.280 nan 0.000 0.737 358 E N 0.877 121.249 120.200 0.287 0.000 2.167 358 E HA 0.166 4.516 4.350 -0.000 0.000 0.247 358 E C -0.985 175.717 176.600 0.169 0.000 0.961 358 E CA -0.149 56.321 56.400 0.118 0.000 0.797 358 E CB 0.377 30.122 29.700 0.074 0.000 1.182 358 E HN 0.442 nan 8.360 nan 0.000 0.437 359 H N 1.251 120.343 119.070 0.037 0.000 2.877 359 H HA 0.200 4.756 4.556 -0.000 0.000 0.347 359 H C -1.521 173.835 175.328 0.047 0.000 1.042 359 H CA -0.614 55.461 56.048 0.044 0.000 1.276 359 H CB 1.085 30.854 29.762 0.011 0.000 1.681 359 H HN 0.351 nan 8.280 nan 0.000 0.521 360 H N 6.797 125.597 119.070 -0.450 0.000 2.505 360 H HA 0.170 4.726 4.556 -0.000 0.000 0.338 360 H C -2.020 173.026 175.328 -0.470 0.000 1.057 360 H CA -2.402 53.470 56.048 -0.294 0.000 1.202 360 H CB 2.358 32.029 29.762 -0.152 0.000 1.466 360 H HN 0.582 nan 8.280 nan 0.000 0.499 361 P HA -0.194 nan 4.420 nan 0.000 0.216 361 P C 1.547 178.771 177.300 -0.127 0.000 1.157 361 P CA 1.090 64.090 63.100 -0.166 0.000 0.880 361 P CB 0.758 32.325 31.700 -0.222 0.000 0.791 362 L N -1.195 120.014 121.223 -0.024 0.000 2.004 362 L HA -0.077 4.263 4.340 -0.000 0.000 0.205 362 L C 2.846 179.711 176.870 -0.008 0.000 1.089 362 L CA 1.391 56.230 54.840 -0.002 0.000 0.756 362 L CB -1.520 40.427 42.059 -0.187 0.000 0.900 362 L HN 0.008 nan 8.230 nan 0.000 0.440 363 H N -0.255 118.882 119.070 0.112 0.000 2.539 363 H HA -0.083 4.473 4.556 -0.000 0.000 0.292 363 H C 1.561 176.779 175.328 -0.183 0.000 1.069 363 H CA 0.176 56.126 56.048 -0.165 0.000 1.244 363 H CB -0.118 29.394 29.762 -0.416 0.000 1.365 363 H HN 0.597 nan 8.280 nan 0.000 0.575 364 G N 0.537 109.269 108.800 -0.114 0.000 2.559 364 G HA2 -0.419 3.541 3.960 -0.000 0.000 0.282 364 G HA3 -0.419 3.541 3.960 -0.000 0.000 0.282 364 G C 0.806 175.571 174.900 -0.225 0.000 1.177 364 G CA 0.576 45.531 45.100 -0.241 0.000 0.960 364 G HN 0.441 nan 8.290 nan 0.000 0.540 365 Q N -0.056 119.627 119.800 -0.195 0.000 2.297 365 Q HA 0.445 4.785 4.340 -0.000 0.000 0.203 365 Q C 1.337 177.285 176.000 -0.087 0.000 0.931 365 Q CA 0.500 56.194 55.803 -0.182 0.000 0.885 365 Q CB 0.409 28.933 28.738 -0.356 0.000 0.991 365 Q HN 0.570 nan 8.270 nan 0.000 0.498 366 V N 2.671 122.557 119.914 -0.047 0.000 2.839 366 V HA -0.211 3.909 4.120 -0.000 0.000 0.296 366 V C 0.528 176.602 176.094 -0.033 0.000 1.239 366 V CA 0.898 63.198 62.300 -0.000 0.000 1.349 366 V CB -0.173 31.609 31.823 -0.069 0.000 0.852 366 V HN 0.333 nan 8.190 nan 0.000 0.504 367 M N 3.589 123.153 119.600 -0.061 0.000 2.734 367 M HA 0.644 5.124 4.480 -0.000 0.000 0.264 367 M C -0.440 175.762 176.300 -0.164 0.000 1.080 367 M CA -0.507 54.720 55.300 -0.122 0.000 0.981 367 M CB 1.708 34.193 32.600 -0.192 0.000 1.514 367 M HN 1.020 nan 8.290 nan 0.000 0.569 368 D N -2.291 118.017 120.400 -0.154 0.000 2.728 368 D HA 0.119 4.759 4.640 -0.000 0.000 0.249 368 D C -0.045 176.240 176.300 -0.025 0.000 1.225 368 D CA -0.582 53.359 54.000 -0.097 0.000 0.748 368 D CB 1.033 41.803 40.800 -0.050 0.000 1.326 368 D HN 0.635 nan 8.370 nan 0.000 0.426 369 E N -0.118 120.096 120.200 0.024 0.000 2.068 369 E HA -0.362 3.988 4.350 -0.000 0.000 0.207 369 E C 1.403 178.071 176.600 0.113 0.000 1.032 369 E CA 2.053 58.509 56.400 0.093 0.000 0.839 369 E CB 0.060 29.829 29.700 0.116 0.000 0.758 369 E HN 0.526 nan 8.360 nan 0.000 0.457 370 Q N -0.404 119.454 119.800 0.097 0.000 1.935 370 Q HA -0.200 4.140 4.340 -0.000 0.000 0.212 370 Q C 2.391 178.460 176.000 0.115 0.000 1.008 370 Q CA 2.323 58.189 55.803 0.107 0.000 0.868 370 Q CB -0.793 28.005 28.738 0.099 0.000 0.946 370 Q HN 0.348 nan 8.270 nan 0.000 0.418 371 T N 1.827 116.451 114.554 0.116 0.000 2.594 371 T HA -0.266 4.084 4.350 -0.000 0.000 0.266 371 T C 1.971 176.738 174.700 0.112 0.000 1.070 371 T CA 2.171 64.346 62.100 0.124 0.000 1.166 371 T CB -0.394 68.550 68.868 0.127 0.000 0.862 371 T HN 0.276 nan 8.240 nan 0.000 0.436 372 M N 0.534 120.194 119.600 0.100 0.000 2.089 372 M HA -0.153 4.327 4.480 -0.000 0.000 0.257 372 M C 2.414 178.861 176.300 0.244 0.000 1.071 372 M CA 1.611 57.021 55.300 0.184 0.000 1.096 372 M CB -0.849 31.902 32.600 0.251 0.000 1.330 372 M HN 0.166 nan 8.290 nan 0.000 0.403 373 V N -0.525 119.498 119.914 0.183 0.000 2.759 373 V HA -0.222 3.898 4.120 -0.000 0.000 0.256 373 V C 2.083 178.202 176.094 0.041 0.000 1.080 373 V CA 1.487 63.851 62.300 0.107 0.000 1.101 373 V CB -0.977 30.929 31.823 0.140 0.000 0.698 373 V HN 0.478 nan 8.190 nan 0.000 0.477 374 Q N 0.622 120.481 119.800 0.098 0.000 1.889 374 Q HA -0.211 4.129 4.340 -0.000 0.000 0.211 374 Q C 2.141 178.228 176.000 0.145 0.000 0.988 374 Q CA 2.250 58.120 55.803 0.113 0.000 0.861 374 Q CB -0.237 28.582 28.738 0.134 0.000 0.922 374 Q HN 0.606 nan 8.270 nan 0.000 0.425 375 D N 0.398 120.918 120.400 0.199 0.000 2.192 375 D HA -0.264 4.376 4.640 -0.000 0.000 0.189 375 D C 1.871 178.185 176.300 0.025 0.000 1.007 375 D CA 1.599 55.747 54.000 0.247 0.000 0.859 375 D CB -0.606 40.252 40.800 0.097 0.000 0.936 375 D HN 0.325 nan 8.370 nan 0.000 0.447 376 I N 0.324 120.903 120.570 0.015 0.000 2.091 376 I HA -0.325 3.845 4.170 -0.000 0.000 0.240 376 I C 2.574 178.635 176.117 -0.094 0.000 1.046 376 I CA 1.107 62.363 61.300 -0.073 0.000 1.306 376 I CB -0.250 37.697 38.000 -0.088 0.000 1.018 376 I HN 0.003 nan 8.210 nan 0.000 0.404 377 L N -0.203 120.968 121.223 -0.087 0.000 2.081 377 L HA -0.273 4.067 4.340 -0.000 0.000 0.212 377 L C 2.428 179.404 176.870 0.176 0.000 1.080 377 L CA 1.373 56.220 54.840 0.012 0.000 0.754 377 L CB -0.501 41.558 42.059 0.000 0.000 0.893 377 L HN 0.284 nan 8.230 nan 0.000 0.433 378 L N -1.473 119.876 121.223 0.211 0.000 1.948 378 L HA -0.261 4.079 4.340 -0.000 0.000 0.212 378 L C 2.713 179.797 176.870 0.357 0.000 1.074 378 L CA 1.291 56.342 54.840 0.351 0.000 0.753 378 L CB -0.534 41.861 42.059 0.560 0.000 0.888 378 L HN 0.233 nan 8.230 nan 0.000 0.432 379 M N -0.235 119.453 119.600 0.146 0.000 2.513 379 M HA -0.378 4.102 4.480 -0.000 0.000 0.256 379 M C 2.277 178.718 176.300 0.235 0.000 1.061 379 M CA 2.066 57.331 55.300 -0.058 0.000 1.065 379 M CB -1.283 31.142 32.600 -0.290 0.000 1.279 379 M HN 0.246 nan 8.290 nan 0.000 0.453 380 K N 0.247 120.719 120.400 0.121 0.000 2.015 380 K HA -0.255 4.065 4.320 -0.000 0.000 0.220 380 K C 1.994 178.733 176.600 0.232 0.000 1.055 380 K CA 2.215 58.537 56.287 0.057 0.000 0.951 380 K CB -0.656 31.869 32.500 0.043 0.000 0.725 380 K HN 0.518 nan 8.250 nan 0.000 0.449 381 Q N 0.481 120.544 119.800 0.439 0.000 2.096 381 Q HA -0.128 4.212 4.340 -0.000 0.000 0.208 381 Q C 1.068 177.409 176.000 0.568 0.000 0.993 381 Q CA 1.316 57.476 55.803 0.595 0.000 0.862 381 Q CB -0.131 28.922 28.738 0.525 0.000 0.915 381 Q HN 0.333 nan 8.270 nan 0.000 0.416 382 N N 1.172 120.172 118.700 0.500 0.000 2.509 382 N HA -0.000 4.740 4.740 -0.000 0.000 0.239 382 N C -0.585 175.161 175.510 0.394 0.000 1.215 382 N CA -0.105 53.242 53.050 0.494 0.000 0.882 382 N CB 0.140 38.953 38.487 0.543 0.000 1.189 382 N HN 0.207 nan 8.380 nan 0.000 0.490 383 N N 0.276 119.141 118.700 0.274 0.000 2.678 383 N HA -0.207 4.533 4.740 -0.000 0.000 0.249 383 N C -0.707 174.765 175.510 -0.064 0.000 1.119 383 N CA 0.909 53.997 53.050 0.063 0.000 0.718 383 N CB -1.419 36.953 38.487 -0.190 0.000 1.060 383 N HN 0.303 nan 8.380 nan 0.000 0.552 384 F N 0.016 120.017 119.950 0.085 0.000 2.378 384 F HA 0.240 4.767 4.527 -0.000 0.000 0.319 384 F C 1.893 177.740 175.800 0.078 0.000 1.155 384 F CA -0.053 58.003 58.000 0.092 0.000 1.157 384 F CB 0.544 39.594 39.000 0.083 0.000 1.252 384 F HN -0.021 nan 8.300 nan 0.000 0.550 385 N N -0.556 118.320 118.700 0.294 0.000 2.211 385 N HA 0.474 5.214 4.740 -0.000 0.000 0.216 385 N C -0.735 174.826 175.510 0.085 0.000 1.240 385 N CA 0.094 53.225 53.050 0.134 0.000 0.895 385 N CB 0.789 39.430 38.487 0.257 0.000 1.102 385 N HN 0.609 nan 8.380 nan 0.000 0.498 386 A N 0.256 123.248 122.820 0.287 0.000 2.511 386 A HA 0.629 4.949 4.320 -0.000 0.000 0.293 386 A C -1.877 175.921 177.584 0.355 0.000 1.098 386 A CA -0.437 51.795 52.037 0.325 0.000 0.643 386 A CB 1.285 20.641 19.000 0.594 0.000 1.302 386 A HN -0.005 nan 8.150 nan 0.000 0.446 387 V N -0.373 119.664 119.914 0.204 0.000 3.178 387 V HA 0.887 5.007 4.120 -0.000 0.000 0.302 387 V C -1.293 174.667 176.094 -0.222 0.000 1.262 387 V CA -0.462 61.862 62.300 0.039 0.000 1.030 387 V CB 2.061 33.922 31.823 0.063 0.000 1.074 387 V HN 1.514 nan 8.190 nan 0.000 0.438 388 R N 3.940 124.258 120.500 -0.305 0.000 2.451 388 R HA 0.498 4.838 4.340 -0.000 0.000 0.307 388 R C -0.823 175.418 176.300 -0.099 0.000 0.965 388 R CA -0.364 55.545 56.100 -0.318 0.000 0.865 388 R CB 1.197 31.125 30.300 -0.620 0.000 1.174 388 R HN 0.900 nan 8.270 nan 0.000 0.455 389 C N 4.100 123.387 119.300 -0.022 0.000 3.727 389 C HA 0.058 4.518 4.460 -0.000 0.000 0.567 389 C C 0.607 175.497 174.990 -0.167 0.000 1.054 389 C CA -0.346 58.657 59.018 -0.025 0.000 1.087 389 C CB -2.444 25.384 27.740 0.147 0.000 1.365 389 C HN 0.684 nan 8.230 nan 0.000 0.635 390 S N 0.866 116.449 115.700 -0.194 0.000 2.457 390 S HA 0.104 4.574 4.470 -0.000 0.000 0.294 390 S C -0.246 173.760 174.600 -0.990 0.000 1.201 390 S CA 0.149 58.301 58.200 -0.080 0.000 1.112 390 S CB 0.026 63.185 63.200 -0.068 0.000 1.018 390 S HN 0.687 nan 8.310 nan 0.000 0.511 391 H N 3.455 121.811 119.070 -1.191 0.000 2.379 391 H HA 0.425 4.981 4.556 -0.000 0.000 0.229 391 H C -0.813 174.328 175.328 -0.312 0.000 1.423 391 H CA -0.722 55.039 56.048 -0.480 0.000 1.375 391 H CB -0.351 29.321 29.762 -0.150 0.000 1.592 391 H HN 0.835 nan 8.280 nan 0.000 0.507 392 Y N -2.667 117.739 120.300 0.177 0.000 2.927 392 Y HA 0.350 4.900 4.550 -0.000 0.000 0.392 392 Y C -3.423 172.595 175.900 0.197 0.000 1.159 392 Y CA -2.807 55.395 58.100 0.170 0.000 1.220 392 Y CB -0.104 38.449 38.460 0.156 0.000 1.506 392 Y HN -0.048 nan 8.280 nan 0.000 0.481 393 P HA 0.166 nan 4.420 nan 0.000 0.268 393 P C -0.949 176.670 177.300 0.530 0.000 1.205 393 P CA 0.207 63.593 63.100 0.477 0.000 0.771 393 P CB 0.498 32.392 31.700 0.322 0.000 0.858 394 N N 1.264 120.345 118.700 0.636 0.000 2.437 394 N HA 0.062 4.802 4.740 -0.000 0.000 0.259 394 N C -0.004 175.813 175.510 0.512 0.000 0.983 394 N CA -0.516 52.802 53.050 0.447 0.000 0.937 394 N CB 0.304 38.894 38.487 0.170 0.000 1.122 394 N HN 0.596 nan 8.380 nan 0.000 0.499 395 H N 4.824 124.039 119.070 0.241 0.000 3.146 395 H HA -0.096 4.460 4.556 -0.000 0.000 0.269 395 H C -1.537 173.984 175.328 0.322 0.000 0.847 395 H CA -0.237 55.942 56.048 0.219 0.000 1.422 395 H CB 0.589 30.428 29.762 0.128 0.000 1.274 395 H HN 0.544 nan 8.280 nan 0.000 0.534 396 P HA -0.297 nan 4.420 nan 0.000 0.226 396 P C 2.069 179.640 177.300 0.452 0.000 1.154 396 P CA 1.145 64.434 63.100 0.316 0.000 0.918 396 P CB 0.142 31.863 31.700 0.035 0.000 0.790 397 L N -1.810 119.768 121.223 0.592 0.000 2.129 397 L HA -0.159 4.181 4.340 -0.000 0.000 0.212 397 L C 2.371 179.482 176.870 0.403 0.000 1.087 397 L CA 1.494 56.620 54.840 0.477 0.000 0.757 397 L CB -1.853 40.506 42.059 0.499 0.000 0.896 397 L HN 0.186 nan 8.230 nan 0.000 0.434 398 W N -0.152 121.223 121.300 0.125 0.000 2.289 398 W HA -0.402 4.258 4.660 -0.000 0.000 0.331 398 W C 2.456 178.850 176.519 -0.207 0.000 1.283 398 W CA 2.062 59.327 57.345 -0.134 0.000 1.252 398 W CB -0.464 28.775 29.460 -0.368 0.000 1.153 398 W HN 0.238 nan 8.180 nan 0.000 0.467 399 Y N 0.452 120.632 120.300 -0.200 0.000 2.293 399 Y HA -0.200 4.350 4.550 -0.000 0.000 0.291 399 Y C 2.720 178.373 175.900 -0.411 0.000 1.137 399 Y CA 1.844 59.624 58.100 -0.534 0.000 1.202 399 Y CB -1.497 36.380 38.460 -0.971 0.000 0.990 399 Y HN -0.159 nan 8.280 nan 0.000 0.537 400 T N 0.973 115.501 114.554 -0.044 0.000 2.708 400 T HA -0.183 4.167 4.350 -0.000 0.000 0.266 400 T C 2.042 176.753 174.700 0.019 0.000 1.037 400 T CA 1.428 63.575 62.100 0.078 0.000 1.146 400 T CB -0.707 68.260 68.868 0.165 0.000 0.865 400 T HN 0.216 nan 8.240 nan 0.000 0.435 401 L N 0.852 122.068 121.223 -0.012 0.000 1.951 401 L HA -0.219 4.121 4.340 -0.000 0.000 0.222 401 L C 3.017 179.860 176.870 -0.044 0.000 1.078 401 L CA 1.672 56.512 54.840 -0.000 0.000 0.778 401 L CB -0.985 41.121 42.059 0.079 0.000 0.893 401 L HN 0.398 nan 8.230 nan 0.000 0.436 402 C N -0.613 118.516 119.300 -0.285 0.000 2.403 402 C HA -0.187 4.273 4.460 -0.000 0.000 0.279 402 C C 2.345 177.396 174.990 0.101 0.000 1.269 402 C CA 0.299 59.211 59.018 -0.177 0.000 1.774 402 C CB -1.161 26.356 27.740 -0.371 0.000 1.993 402 C HN 0.565 nan 8.230 nan 0.000 0.496 403 D N 0.440 120.898 120.400 0.096 0.000 2.097 403 D HA -0.085 4.555 4.640 -0.000 0.000 0.195 403 D C 2.448 178.915 176.300 0.279 0.000 0.989 403 D CA 1.243 55.361 54.000 0.198 0.000 0.827 403 D CB -0.259 40.587 40.800 0.076 0.000 0.966 403 D HN 0.454 nan 8.370 nan 0.000 0.456 404 R N -0.956 119.592 120.500 0.080 0.000 2.062 404 R HA -0.038 4.302 4.340 -0.000 0.000 0.226 404 R C 2.307 178.501 176.300 -0.177 0.000 1.125 404 R CA 0.847 56.903 56.100 -0.074 0.000 0.966 404 R CB -0.345 29.835 30.300 -0.200 0.000 0.861 404 R HN 0.230 nan 8.270 nan 0.000 0.433 405 Y N -0.827 119.509 120.300 0.060 0.000 2.153 405 Y HA 0.173 4.723 4.550 -0.000 0.000 0.289 405 Y C 1.117 176.971 175.900 -0.078 0.000 1.127 405 Y CA 1.287 59.394 58.100 0.012 0.000 1.131 405 Y CB 0.025 38.481 38.460 -0.006 0.000 0.995 405 Y HN 0.256 nan 8.280 nan 0.000 0.505 406 G N 0.350 109.160 108.800 0.016 0.000 2.499 406 G HA2 0.004 3.964 3.960 -0.000 0.000 0.474 406 G HA3 0.004 3.964 3.960 -0.000 0.000 0.474 406 G C -1.272 173.436 174.900 -0.320 0.000 1.044 406 G CA -0.618 44.318 45.100 -0.274 0.000 1.316 406 G HN 0.161 nan 8.290 nan 0.000 0.617 407 L N 2.222 123.318 121.223 -0.212 0.000 2.596 407 L HA 0.329 4.669 4.340 -0.000 0.000 0.265 407 L C -0.363 176.474 176.870 -0.054 0.000 0.962 407 L CA -1.152 53.550 54.840 -0.231 0.000 0.891 407 L CB 1.309 43.268 42.059 -0.167 0.000 1.248 407 L HN 0.427 nan 8.230 nan 0.000 0.410 408 Y N 3.012 123.387 120.300 0.125 0.000 2.717 408 Y HA 0.166 4.716 4.550 -0.000 0.000 0.330 408 Y C 0.556 176.524 175.900 0.114 0.000 1.217 408 Y CA -0.181 58.026 58.100 0.180 0.000 1.506 408 Y CB 0.189 38.760 38.460 0.185 0.000 1.268 408 Y HN 0.141 nan 8.280 nan 0.000 0.561 409 V N 3.133 123.190 119.914 0.239 0.000 2.919 409 V HA 0.557 4.677 4.120 -0.000 0.000 0.316 409 V C -0.493 175.621 176.094 0.034 0.000 1.077 409 V CA -1.118 61.233 62.300 0.086 0.000 0.977 409 V CB 2.262 34.108 31.823 0.037 0.000 1.039 409 V HN 0.408 nan 8.190 nan 0.000 0.441 410 V N 1.817 121.718 119.914 -0.021 0.000 2.320 410 V HA 0.260 4.380 4.120 -0.000 0.000 0.268 410 V C -0.537 175.584 176.094 0.044 0.000 1.021 410 V CA -0.410 61.862 62.300 -0.046 0.000 0.813 410 V CB 1.135 32.868 31.823 -0.150 0.000 1.054 410 V HN 0.987 nan 8.190 nan 0.000 0.444 411 D N 3.485 123.950 120.400 0.107 0.000 2.450 411 D HA 0.134 4.774 4.640 -0.000 0.000 0.247 411 D C 0.081 176.564 176.300 0.305 0.000 1.162 411 D CA 0.714 54.890 54.000 0.294 0.000 0.879 411 D CB 0.804 41.826 40.800 0.370 0.000 1.163 411 D HN 0.658 nan 8.370 nan 0.000 0.472 412 E N 1.785 122.147 120.200 0.269 0.000 2.244 412 E HA 0.649 4.999 4.350 -0.000 0.000 0.266 412 E C -1.353 175.382 176.600 0.225 0.000 0.914 412 E CA -1.246 55.281 56.400 0.211 0.000 0.794 412 E CB 1.359 31.120 29.700 0.101 0.000 1.210 412 E HN 0.457 nan 8.360 nan 0.000 0.414 413 A N 3.197 126.126 122.820 0.183 0.000 2.289 413 A HA 0.178 4.498 4.320 -0.000 0.000 0.298 413 A C 0.219 177.910 177.584 0.179 0.000 1.208 413 A CA -0.543 51.590 52.037 0.161 0.000 0.845 413 A CB 0.397 19.457 19.000 0.100 0.000 1.125 413 A HN 0.663 nan 8.150 nan 0.000 0.517 414 N N 2.423 121.251 118.700 0.213 0.000 2.950 414 N HA -0.036 4.704 4.740 -0.000 0.000 0.329 414 N C -0.630 174.995 175.510 0.193 0.000 1.197 414 N CA 0.597 53.793 53.050 0.244 0.000 1.168 414 N CB -0.781 37.846 38.487 0.232 0.000 1.414 414 N HN 0.548 nan 8.380 nan 0.000 0.554 415 I N 0.661 121.332 120.570 0.169 0.000 2.439 415 I HA 0.270 4.440 4.170 -0.000 0.000 0.283 415 I C -0.266 175.941 176.117 0.150 0.000 1.023 415 I CA -0.762 60.625 61.300 0.145 0.000 1.100 415 I CB 1.671 39.730 38.000 0.098 0.000 1.238 415 I HN 0.124 nan 8.210 nan 0.000 0.445 416 E N 4.263 124.559 120.200 0.160 0.000 2.294 416 E HA 0.306 4.656 4.350 -0.000 0.000 0.272 416 E C -0.246 176.429 176.600 0.125 0.000 0.896 416 E CA -0.506 55.976 56.400 0.137 0.000 0.802 416 E CB 1.545 31.343 29.700 0.164 0.000 1.267 416 E HN 0.674 nan 8.360 nan 0.000 0.406 417 T N 0.483 115.088 114.554 0.085 0.000 3.129 417 T HA 0.125 4.475 4.350 -0.000 0.000 0.267 417 T C 1.166 175.899 174.700 0.056 0.000 1.018 417 T CA 0.111 62.280 62.100 0.115 0.000 0.903 417 T CB -0.356 68.547 68.868 0.057 0.000 1.067 417 T HN 0.668 nan 8.240 nan 0.000 0.549 418 H N 2.044 121.044 119.070 -0.117 0.000 2.275 418 H HA -0.248 4.308 4.556 -0.000 0.000 0.279 418 H C 2.455 177.648 175.328 -0.225 0.000 1.121 418 H CA 2.009 57.943 56.048 -0.191 0.000 1.175 418 H CB -0.642 28.972 29.762 -0.245 0.000 1.390 418 H HN 0.531 nan 8.280 nan 0.000 0.521 419 G N -0.263 108.364 108.800 -0.288 0.000 2.537 419 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.220 419 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.220 419 G C 0.568 175.577 174.900 0.181 0.000 1.111 419 G CA 0.521 45.478 45.100 -0.238 0.000 0.748 419 G HN 0.187 nan 8.290 nan 0.000 0.564 420 M N -0.293 119.445 119.600 0.230 0.000 2.198 420 M HA 0.419 4.899 4.480 -0.000 0.000 0.315 420 M C -0.423 175.933 176.300 0.094 0.000 1.134 420 M CA 0.264 55.681 55.300 0.196 0.000 1.171 420 M CB 1.698 34.374 32.600 0.127 0.000 1.413 420 M HN -0.161 nan 8.290 nan 0.000 0.467 421 V N 3.571 123.523 119.914 0.063 0.000 2.509 421 V HA 0.388 4.508 4.120 -0.000 0.000 0.289 421 V C -2.248 173.857 176.094 0.018 0.000 1.026 421 V CA -1.349 60.971 62.300 0.033 0.000 0.872 421 V CB 1.159 32.998 31.823 0.028 0.000 1.017 421 V HN 0.772 nan 8.190 nan 0.000 0.436 422 P HA 0.337 nan 4.420 nan 0.000 0.275 422 P C 1.229 178.537 177.300 0.012 0.000 1.266 422 P CA -0.591 62.515 63.100 0.010 0.000 0.793 422 P CB 0.640 32.346 31.700 0.010 0.000 1.074 423 M N 0.100 119.706 119.600 0.009 0.000 2.346 423 M HA -0.173 4.307 4.480 -0.000 0.000 0.263 423 M C 1.134 177.440 176.300 0.010 0.000 1.064 423 M CA 1.544 56.846 55.300 0.003 0.000 1.083 423 M CB -0.792 31.791 32.600 -0.029 0.000 1.399 423 M HN 0.368 nan 8.290 nan 0.000 0.435 424 N N 0.237 118.944 118.700 0.012 0.000 2.409 424 N HA -0.091 4.649 4.740 -0.000 0.000 0.179 424 N C 1.484 176.968 175.510 -0.044 0.000 1.032 424 N CA 0.621 53.672 53.050 0.002 0.000 0.898 424 N CB -0.245 38.254 38.487 0.019 0.000 0.971 424 N HN 0.272 nan 8.380 nan 0.000 0.441 425 R N 0.043 120.514 120.500 -0.048 0.000 2.154 425 R HA -0.108 4.232 4.340 -0.000 0.000 0.248 425 R C 1.499 177.695 176.300 -0.172 0.000 1.155 425 R CA 1.230 57.283 56.100 -0.079 0.000 0.979 425 R CB -0.064 30.203 30.300 -0.053 0.000 0.869 425 R HN 0.246 nan 8.270 nan 0.000 0.452 426 L N -1.125 119.943 121.223 -0.259 0.000 2.262 426 L HA -0.001 4.339 4.340 -0.000 0.000 0.197 426 L C 2.436 179.129 176.870 -0.295 0.000 1.073 426 L CA 1.220 55.762 54.840 -0.496 0.000 0.800 426 L CB -0.716 40.884 42.059 -0.764 0.000 0.987 426 L HN 0.375 nan 8.230 nan 0.000 0.470 427 T N -2.690 111.724 114.554 -0.233 0.000 2.721 427 T HA -0.270 4.080 4.350 -0.000 0.000 0.268 427 T C 1.067 175.633 174.700 -0.224 0.000 1.038 427 T CA 1.602 63.536 62.100 -0.277 0.000 1.145 427 T CB -0.470 68.206 68.868 -0.320 0.000 0.858 427 T HN 0.058 nan 8.240 nan 0.000 0.459 428 D N 1.918 122.234 120.400 -0.140 0.000 2.881 428 D HA 0.186 4.826 4.640 -0.000 0.000 0.240 428 D C -0.696 175.580 176.300 -0.040 0.000 1.249 428 D CA -0.125 53.820 54.000 -0.091 0.000 0.839 428 D CB -0.312 40.454 40.800 -0.057 0.000 1.042 428 D HN 0.307 nan 8.370 nan 0.000 0.475 429 D N -0.315 120.076 120.400 -0.014 0.000 2.336 429 D HA 0.124 4.764 4.640 -0.000 0.000 0.248 429 D C -1.928 174.446 176.300 0.123 0.000 1.326 429 D CA -1.917 52.131 54.000 0.081 0.000 0.973 429 D CB 1.941 42.838 40.800 0.161 0.000 1.255 429 D HN -0.084 nan 8.370 nan 0.000 0.558 430 P HA -0.230 nan 4.420 nan 0.000 0.219 430 P C 1.156 178.458 177.300 0.003 0.000 1.158 430 P CA 1.348 64.457 63.100 0.014 0.000 0.895 430 P CB 0.247 31.946 31.700 -0.001 0.000 0.792 431 R N -1.954 118.549 120.500 0.006 0.000 2.185 431 R HA -0.167 4.173 4.340 -0.000 0.000 0.247 431 R C 2.064 178.203 176.300 -0.270 0.000 1.159 431 R CA 1.737 57.763 56.100 -0.123 0.000 0.988 431 R CB -0.962 29.253 30.300 -0.142 0.000 0.871 431 R HN 0.360 nan 8.270 nan 0.000 0.458 432 W N -0.692 120.551 121.300 -0.095 0.000 2.996 432 W HA 0.155 4.815 4.660 -0.000 0.000 0.270 432 W C 1.611 178.071 176.519 -0.099 0.000 1.280 432 W CA -0.485 56.803 57.345 -0.096 0.000 1.549 432 W CB -0.200 29.202 29.460 -0.096 0.000 1.079 432 W HN -0.011 nan 8.180 nan 0.000 0.629 433 L N 2.562 123.829 121.223 0.074 0.000 1.997 433 L HA -0.167 4.173 4.340 -0.000 0.000 0.216 433 L C -0.524 176.318 176.870 -0.046 0.000 1.074 433 L CA 2.378 57.213 54.840 -0.008 0.000 0.763 433 L CB -2.049 39.992 42.059 -0.029 0.000 0.890 433 L HN -0.171 nan 8.230 nan 0.000 0.434 434 P HA -0.171 nan 4.420 nan 0.000 0.216 434 P C 1.585 178.837 177.300 -0.080 0.000 1.153 434 P CA 2.292 65.337 63.100 -0.091 0.000 0.858 434 P CB -0.274 31.359 31.700 -0.112 0.000 0.789 435 A N 0.235 123.021 122.820 -0.057 0.000 1.834 435 A HA -0.221 4.099 4.320 -0.000 0.000 0.216 435 A C 2.320 179.919 177.584 0.026 0.000 1.203 435 A CA 2.725 54.764 52.037 0.003 0.000 0.621 435 A CB -1.666 17.380 19.000 0.075 0.000 0.841 435 A HN 0.089 nan 8.150 nan 0.000 0.446 436 M N -0.456 119.176 119.600 0.053 0.000 2.108 436 M HA -0.200 4.280 4.480 -0.000 0.000 0.257 436 M C 2.450 178.704 176.300 -0.076 0.000 1.071 436 M CA 1.863 57.163 55.300 0.001 0.000 1.093 436 M CB -0.814 31.762 32.600 -0.039 0.000 1.345 436 M HN 0.521 nan 8.290 nan 0.000 0.403 437 S N 0.466 116.097 115.700 -0.115 0.000 2.369 437 S HA -0.222 4.248 4.470 -0.000 0.000 0.225 437 S C 1.804 176.256 174.600 -0.246 0.000 1.043 437 S CA 1.860 59.934 58.200 -0.210 0.000 1.074 437 S CB -0.298 62.784 63.200 -0.197 0.000 0.962 437 S HN 0.487 nan 8.310 nan 0.000 0.433 438 E N 0.273 120.373 120.200 -0.167 0.000 2.114 438 E HA -0.231 4.119 4.350 -0.000 0.000 0.199 438 E C 2.401 178.918 176.600 -0.139 0.000 1.008 438 E CA 1.307 57.617 56.400 -0.150 0.000 0.810 438 E CB -0.245 29.403 29.700 -0.087 0.000 0.739 438 E HN 0.491 nan 8.360 nan 0.000 0.456 439 R N 0.132 120.579 120.500 -0.089 0.000 2.094 439 R HA -0.168 4.172 4.340 -0.000 0.000 0.239 439 R C 2.503 178.755 176.300 -0.081 0.000 1.137 439 R CA 1.712 57.786 56.100 -0.043 0.000 0.943 439 R CB -0.397 29.914 30.300 0.017 0.000 0.850 439 R HN 0.051 nan 8.270 nan 0.000 0.433 440 V N 0.525 120.349 119.914 -0.151 0.000 2.283 440 V HA -0.240 3.880 4.120 -0.000 0.000 0.243 440 V C 2.504 178.397 176.094 -0.336 0.000 1.039 440 V CA 2.210 64.389 62.300 -0.202 0.000 1.016 440 V CB -0.996 30.691 31.823 -0.227 0.000 0.650 440 V HN 0.585 nan 8.190 nan 0.000 0.449 441 T N 0.874 115.121 114.554 -0.511 0.000 2.624 441 T HA -0.328 4.022 4.350 -0.000 0.000 0.268 441 T C 1.893 176.381 174.700 -0.354 0.000 1.041 441 T CA 2.088 63.776 62.100 -0.687 0.000 1.159 441 T CB -0.570 67.918 68.868 -0.633 0.000 0.863 441 T HN 0.520 nan 8.240 nan 0.000 0.434 442 R N 0.772 121.129 120.500 -0.239 0.000 2.115 442 R HA 0.211 4.551 4.340 -0.000 0.000 0.230 442 R C 2.756 178.972 176.300 -0.141 0.000 1.111 442 R CA 1.319 57.324 56.100 -0.159 0.000 0.976 442 R CB -0.593 29.632 30.300 -0.125 0.000 0.870 442 R HN 0.460 nan 8.270 nan 0.000 0.445 443 M N 1.190 120.712 119.600 -0.130 0.000 2.065 443 M HA -0.191 4.289 4.480 -0.000 0.000 0.259 443 M C 1.992 178.201 176.300 -0.153 0.000 1.071 443 M CA 1.896 57.148 55.300 -0.079 0.000 1.109 443 M CB -0.108 32.486 32.600 -0.011 0.000 1.313 443 M HN 0.026 nan 8.290 nan 0.000 0.408 444 V N 0.786 120.507 119.914 -0.322 0.000 2.252 444 V HA -0.344 3.776 4.120 -0.000 0.000 0.249 444 V C 2.371 178.314 176.094 -0.252 0.000 1.056 444 V CA 2.476 64.454 62.300 -0.538 0.000 1.022 444 V CB -1.081 30.445 31.823 -0.494 0.000 0.641 444 V HN 0.610 nan 8.190 nan 0.000 0.445 445 Q N -0.582 119.130 119.800 -0.147 0.000 2.077 445 Q HA -0.253 4.087 4.340 -0.000 0.000 0.206 445 Q C 2.536 178.462 176.000 -0.123 0.000 0.989 445 Q CA 2.215 57.964 55.803 -0.089 0.000 0.853 445 Q CB -0.267 28.440 28.738 -0.052 0.000 0.907 445 Q HN 0.497 nan 8.270 nan 0.000 0.418 446 R N -0.112 120.297 120.500 -0.151 0.000 2.092 446 R HA -0.143 4.197 4.340 -0.000 0.000 0.231 446 R C 0.873 177.090 176.300 -0.138 0.000 1.119 446 R CA 1.684 57.676 56.100 -0.180 0.000 0.970 446 R CB 0.113 30.303 30.300 -0.183 0.000 0.864 446 R HN 0.287 nan 8.270 nan 0.000 0.440 447 D N 0.103 120.473 120.400 -0.049 0.000 2.277 447 D HA -0.046 4.594 4.640 -0.000 0.000 0.209 447 D C 1.567 177.931 176.300 0.107 0.000 0.970 447 D CA 0.505 54.533 54.000 0.046 0.000 0.874 447 D CB 0.023 40.866 40.800 0.072 0.000 0.982 447 D HN 0.313 nan 8.370 nan 0.000 0.504 448 R N 1.296 121.907 120.500 0.185 0.000 2.397 448 R HA -0.161 4.179 4.340 -0.000 0.000 0.261 448 R C 0.816 177.090 176.300 -0.042 0.000 1.218 448 R CA 1.345 57.555 56.100 0.183 0.000 1.055 448 R CB -0.746 29.562 30.300 0.013 0.000 0.864 448 R HN 0.187 nan 8.270 nan 0.000 0.496 449 N N -0.262 118.310 118.700 -0.213 0.000 2.220 449 N HA -0.007 4.733 4.740 -0.000 0.000 0.195 449 N C -0.439 174.894 175.510 -0.295 0.000 1.123 449 N CA -0.019 52.858 53.050 -0.290 0.000 0.874 449 N CB 0.184 38.469 38.487 -0.338 0.000 0.995 449 N HN 0.308 nan 8.380 nan 0.000 0.498 450 H N 2.177 121.163 119.070 -0.139 0.000 2.878 450 H HA 0.110 4.666 4.556 -0.000 0.000 0.290 450 H C -1.243 173.928 175.328 -0.262 0.000 1.065 450 H CA -1.107 54.845 56.048 -0.160 0.000 1.477 450 H CB 1.282 30.996 29.762 -0.079 0.000 1.484 450 H HN 0.017 nan 8.280 nan 0.000 0.504 451 P HA -0.254 nan 4.420 nan 0.000 0.214 451 P C 1.803 178.756 177.300 -0.579 0.000 1.169 451 P CA 2.199 64.939 63.100 -0.601 0.000 0.908 451 P CB 0.057 31.115 31.700 -1.069 0.000 0.791 452 S N -0.854 114.494 115.700 -0.587 0.000 2.421 452 S HA -0.152 4.318 4.470 -0.000 0.000 0.239 452 S C 1.015 175.640 174.600 0.041 0.000 1.054 452 S CA 1.090 59.281 58.200 -0.016 0.000 1.035 452 S CB -1.761 61.522 63.200 0.138 0.000 0.840 452 S HN -0.031 nan 8.310 nan 0.000 0.475 453 V N 2.955 122.839 119.914 -0.050 0.000 2.637 453 V HA 0.315 4.435 4.120 -0.000 0.000 0.296 453 V C 1.025 176.987 176.094 -0.221 0.000 1.046 453 V CA 0.578 62.799 62.300 -0.131 0.000 1.066 453 V CB 1.014 32.670 31.823 -0.278 0.000 0.968 453 V HN 0.684 nan 8.190 nan 0.000 0.483 454 I N 2.831 123.264 120.570 -0.228 0.000 4.620 454 I HA 0.474 4.644 4.170 -0.000 0.000 0.347 454 I C -0.380 175.585 176.117 -0.253 0.000 1.302 454 I CA 0.173 61.348 61.300 -0.208 0.000 1.277 454 I CB 0.549 38.506 38.000 -0.071 0.000 1.566 454 I HN 0.358 nan 8.210 nan 0.000 0.547 455 I N 0.671 121.033 120.570 -0.347 0.000 2.743 455 I HA 0.305 4.475 4.170 -0.000 0.000 0.292 455 I C -1.731 174.247 176.117 -0.231 0.000 1.343 455 I CA -0.277 60.893 61.300 -0.216 0.000 1.038 455 I CB 1.686 39.665 38.000 -0.035 0.000 1.311 455 I HN 0.085 nan 8.210 nan 0.000 0.426 456 W N 3.403 124.758 121.300 0.091 0.000 2.496 456 W HA 0.553 5.213 4.660 -0.000 0.000 0.327 456 W C 0.497 177.080 176.519 0.107 0.000 1.086 456 W CA -0.721 56.684 57.345 0.100 0.000 1.222 456 W CB 1.751 31.276 29.460 0.107 0.000 1.304 456 W HN 0.362 nan 8.180 nan 0.000 0.547 457 S N 3.272 119.191 115.700 0.364 0.000 2.498 457 S HA 0.323 4.793 4.470 -0.000 0.000 0.317 457 S C 0.600 175.338 174.600 0.229 0.000 1.090 457 S CA -0.720 57.628 58.200 0.248 0.000 1.089 457 S CB 0.595 63.884 63.200 0.149 0.000 0.997 457 S HN 0.552 nan 8.310 nan 0.000 0.470 458 L N 4.258 125.605 121.223 0.207 0.000 2.633 458 L HA 0.180 4.520 4.340 -0.000 0.000 0.235 458 L C 1.480 178.389 176.870 0.065 0.000 1.163 458 L CA 0.897 55.785 54.840 0.080 0.000 0.859 458 L CB -1.878 40.095 42.059 -0.143 0.000 0.973 458 L HN 1.022 nan 8.230 nan 0.000 0.451 459 G N 0.138 109.032 108.800 0.157 0.000 2.416 459 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.203 459 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.203 459 G C -0.988 173.970 174.900 0.098 0.000 1.227 459 G CA -0.373 44.796 45.100 0.115 0.000 1.041 459 G HN 0.278 nan 8.290 nan 0.000 0.546 460 N N 0.374 119.078 118.700 0.007 0.000 2.455 460 N HA 0.504 5.244 4.740 -0.000 0.000 0.278 460 N C -0.155 175.335 175.510 -0.034 0.000 1.291 460 N CA -0.004 52.951 53.050 -0.159 0.000 0.780 460 N CB 1.337 39.416 38.487 -0.681 0.000 1.520 460 N HN 0.841 nan 8.380 nan 0.000 0.486 461 E N -0.210 119.881 120.200 -0.181 0.000 1.323 461 E HA -0.239 4.111 4.350 -0.000 0.000 0.168 461 E C -0.226 176.252 176.600 -0.205 0.000 0.945 461 E CA 0.368 56.584 56.400 -0.307 0.000 0.445 461 E CB -1.100 28.197 29.700 -0.671 0.000 1.045 461 E HN 0.316 nan 8.360 nan 0.000 0.249 462 S N -0.357 115.375 115.700 0.054 0.000 2.499 462 S HA 0.315 4.785 4.470 -0.000 0.000 0.225 462 S C 0.940 175.653 174.600 0.188 0.000 1.050 462 S CA 0.271 58.566 58.200 0.159 0.000 0.928 462 S CB 0.900 64.279 63.200 0.297 0.000 0.803 462 S HN 0.849 nan 8.310 nan 0.000 0.506 463 G N 0.689 109.632 108.800 0.239 0.000 2.378 463 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.198 463 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.198 463 G C -0.987 174.143 174.900 0.383 0.000 1.223 463 G CA -0.589 44.627 45.100 0.192 0.000 1.088 463 G HN 0.401 nan 8.290 nan 0.000 0.530 464 H N 0.704 119.906 119.070 0.221 0.000 2.727 464 H HA 0.599 5.155 4.556 -0.000 0.000 0.330 464 H C 0.018 175.525 175.328 0.298 0.000 0.986 464 H CA 0.261 56.484 56.048 0.292 0.000 1.251 464 H CB 0.931 30.785 29.762 0.152 0.000 1.493 464 H HN 1.298 nan 8.280 nan 0.000 0.515 465 G N 1.439 110.100 108.800 -0.232 0.000 2.694 465 G HA2 0.443 4.403 3.960 -0.000 0.000 0.290 465 G HA3 0.443 4.403 3.960 -0.000 0.000 0.290 465 G C 0.483 175.146 174.900 -0.396 0.000 1.386 465 G CA -0.110 44.786 45.100 -0.341 0.000 0.872 465 G HN 0.635 nan 8.290 nan 0.000 0.475 466 A N 0.657 123.349 122.820 -0.212 0.000 1.917 466 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 466 A C 2.153 179.679 177.584 -0.097 0.000 1.182 466 A CA 2.192 54.168 52.037 -0.102 0.000 0.633 466 A CB -0.622 18.355 19.000 -0.039 0.000 0.819 466 A HN 0.635 nan 8.150 nan 0.000 0.448 467 N N -0.256 118.340 118.700 -0.173 0.000 2.334 467 N HA -0.214 4.526 4.740 -0.000 0.000 0.187 467 N C 1.338 176.760 175.510 -0.146 0.000 1.016 467 N CA 1.854 54.803 53.050 -0.168 0.000 0.879 467 N CB -0.812 37.569 38.487 -0.178 0.000 0.965 467 N HN 0.821 nan 8.380 nan 0.000 0.438 468 H N 0.738 119.732 119.070 -0.126 0.000 2.276 468 H HA -0.033 4.523 4.556 -0.000 0.000 0.301 468 H C 1.422 176.779 175.328 0.048 0.000 1.073 468 H CA 1.208 57.185 56.048 -0.119 0.000 1.311 468 H CB 0.115 29.757 29.762 -0.199 0.000 1.379 468 H HN 0.116 nan 8.280 nan 0.000 0.494 469 D N 0.697 121.235 120.400 0.230 0.000 2.126 469 D HA -0.243 4.397 4.640 -0.000 0.000 0.190 469 D C 2.301 178.767 176.300 0.276 0.000 1.001 469 D CA 1.366 55.533 54.000 0.277 0.000 0.841 469 D CB -0.713 40.216 40.800 0.216 0.000 0.949 469 D HN 0.432 nan 8.370 nan 0.000 0.446 470 A N 1.036 123.952 122.820 0.161 0.000 1.859 470 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 470 A C 2.538 180.223 177.584 0.168 0.000 1.209 470 A CA 1.781 53.897 52.037 0.131 0.000 0.639 470 A CB -1.132 17.904 19.000 0.060 0.000 0.835 470 A HN 0.263 nan 8.150 nan 0.000 0.450 471 L N -2.059 119.244 121.223 0.134 0.000 2.042 471 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 471 L C 2.612 179.630 176.870 0.247 0.000 1.076 471 L CA 1.946 56.868 54.840 0.137 0.000 0.749 471 L CB -0.814 41.263 42.059 0.029 0.000 0.893 471 L HN 0.625 nan 8.230 nan 0.000 0.432 472 Y N 0.912 121.287 120.300 0.125 0.000 2.030 472 Y HA -0.310 4.240 4.550 -0.000 0.000 0.274 472 Y C 2.888 178.868 175.900 0.132 0.000 1.153 472 Y CA 1.625 59.804 58.100 0.132 0.000 1.115 472 Y CB -0.467 38.071 38.460 0.129 0.000 0.969 472 Y HN -0.042 nan 8.280 nan 0.000 0.488 473 R N -0.093 120.355 120.500 -0.086 0.000 2.096 473 R HA -0.270 4.070 4.340 -0.000 0.000 0.240 473 R C 2.195 178.425 176.300 -0.116 0.000 1.139 473 R CA 2.041 58.023 56.100 -0.198 0.000 0.952 473 R CB -1.777 28.521 30.300 -0.003 0.000 0.854 473 R HN 0.678 nan 8.270 nan 0.000 0.436 474 W N 1.462 122.694 121.300 -0.114 0.000 2.301 474 W HA -0.269 4.391 4.660 -0.000 0.000 0.325 474 W C 1.993 178.424 176.519 -0.146 0.000 1.250 474 W CA 2.200 59.479 57.345 -0.109 0.000 1.261 474 W CB -0.444 28.962 29.460 -0.090 0.000 1.157 474 W HN 0.020 nan 8.180 nan 0.000 0.473 475 I N 0.504 121.149 120.570 0.125 0.000 2.163 475 I HA -0.333 3.837 4.170 -0.000 0.000 0.243 475 I C 2.342 178.308 176.117 -0.252 0.000 1.085 475 I CA 1.612 62.868 61.300 -0.074 0.000 1.347 475 I CB -1.653 36.371 38.000 0.040 0.000 1.044 475 I HN -0.003 nan 8.210 nan 0.000 0.408 476 K N 1.628 121.894 120.400 -0.224 0.000 2.097 476 K HA -0.192 4.128 4.320 -0.000 0.000 0.214 476 K C 2.296 178.756 176.600 -0.232 0.000 1.052 476 K CA 2.211 58.352 56.287 -0.244 0.000 0.932 476 K CB -0.865 31.406 32.500 -0.382 0.000 0.716 476 K HN 0.476 nan 8.250 nan 0.000 0.455 477 S N -0.067 115.444 115.700 -0.314 0.000 2.388 477 S HA -0.030 4.440 4.470 -0.000 0.000 0.223 477 S C 2.235 176.588 174.600 -0.412 0.000 1.034 477 S CA 0.925 58.931 58.200 -0.323 0.000 0.963 477 S CB -0.350 62.664 63.200 -0.309 0.000 0.827 477 S HN 0.012 nan 8.310 nan 0.000 0.481 478 V N 1.444 120.953 119.914 -0.674 0.000 2.453 478 V HA 0.057 4.177 4.120 -0.000 0.000 0.247 478 V C 0.408 176.261 176.094 -0.402 0.000 1.048 478 V CA 1.251 63.132 62.300 -0.697 0.000 1.049 478 V CB -0.447 30.617 31.823 -1.265 0.000 0.672 478 V HN 0.375 nan 8.190 nan 0.000 0.457 479 D N -1.407 118.808 120.400 -0.308 0.000 2.757 479 D HA 0.347 4.987 4.640 -0.000 0.000 0.249 479 D C -2.203 174.068 176.300 -0.048 0.000 1.168 479 D CA -1.781 52.161 54.000 -0.098 0.000 0.870 479 D CB 2.922 43.794 40.800 0.120 0.000 1.411 479 D HN -0.021 nan 8.370 nan 0.000 0.525 480 P HA 0.036 nan 4.420 nan 0.000 0.220 480 P C 1.195 178.511 177.300 0.026 0.000 1.115 480 P CA 0.353 63.442 63.100 -0.019 0.000 0.942 480 P CB 0.108 31.785 31.700 -0.039 0.000 0.888 481 S N 1.153 116.869 115.700 0.027 0.000 2.481 481 S HA -0.198 4.272 4.470 -0.000 0.000 0.253 481 S C 0.914 175.527 174.600 0.021 0.000 0.998 481 S CA 0.558 58.774 58.200 0.027 0.000 0.972 481 S CB -1.108 62.099 63.200 0.013 0.000 0.751 481 S HN 0.340 nan 8.310 nan 0.000 0.515 482 R N -0.349 120.179 120.500 0.047 0.000 2.515 482 R HA 0.586 4.926 4.340 -0.000 0.000 0.291 482 R C -3.548 172.785 176.300 0.054 0.000 1.046 482 R CA -2.316 53.772 56.100 -0.020 0.000 0.914 482 R CB 0.649 30.823 30.300 -0.209 0.000 1.191 482 R HN -0.010 nan 8.270 nan 0.000 0.435 483 P HA -0.061 nan 4.420 nan 0.000 0.271 483 P C -0.571 176.827 177.300 0.162 0.000 1.228 483 P CA -0.368 62.786 63.100 0.090 0.000 0.797 483 P CB 0.464 32.195 31.700 0.051 0.000 0.914 484 V N 0.733 120.783 119.914 0.228 0.000 2.638 484 V HA 0.364 4.484 4.120 -0.000 0.000 0.306 484 V C 0.069 176.302 176.094 0.232 0.000 1.052 484 V CA -0.531 61.956 62.300 0.311 0.000 0.885 484 V CB 1.427 33.524 31.823 0.457 0.000 0.999 484 V HN 0.636 nan 8.190 nan 0.000 0.424 485 Q N 3.370 123.286 119.800 0.194 0.000 2.399 485 Q HA 0.861 5.201 4.340 -0.000 0.000 0.276 485 Q C -1.684 174.425 176.000 0.182 0.000 1.098 485 Q CA -1.014 54.860 55.803 0.119 0.000 0.827 485 Q CB 3.033 31.805 28.738 0.057 0.000 1.386 485 Q HN 0.679 nan 8.270 nan 0.000 0.443 486 Y N 0.095 120.351 120.300 -0.073 0.000 2.264 486 Y HA 0.079 4.629 4.550 -0.000 0.000 0.315 486 Y C -0.456 175.347 175.900 -0.160 0.000 1.262 486 Y CA -0.596 57.433 58.100 -0.119 0.000 1.176 486 Y CB 1.674 40.053 38.460 -0.134 0.000 1.283 486 Y HN 0.943 nan 8.280 nan 0.000 0.405 487 E N 3.580 123.346 120.200 -0.723 0.000 2.299 487 E HA 0.111 4.461 4.350 -0.000 0.000 0.193 487 E C 0.849 177.013 176.600 -0.726 0.000 0.998 487 E CA 0.893 56.943 56.400 -0.584 0.000 0.851 487 E CB 0.192 29.646 29.700 -0.410 0.000 0.795 487 E HN 0.892 nan 8.360 nan 0.000 0.492 488 G N -0.363 107.584 108.800 -1.421 0.000 2.760 488 G HA2 0.161 4.121 3.960 -0.000 0.000 0.236 488 G HA3 0.161 4.121 3.960 -0.000 0.000 0.236 488 G C 0.977 175.667 174.900 -0.350 0.000 1.243 488 G CA 0.468 45.014 45.100 -0.924 0.000 0.850 488 G HN 0.369 nan 8.290 nan 0.000 0.595 489 G N -0.712 108.034 108.800 -0.090 0.000 2.343 489 G HA2 0.109 4.069 3.960 -0.000 0.000 0.264 489 G HA3 0.109 4.069 3.960 -0.000 0.000 0.264 489 G C 1.269 176.156 174.900 -0.022 0.000 0.989 489 G CA 1.567 46.687 45.100 0.034 0.000 0.627 489 G HN 2.485 nan 8.290 nan 0.000 0.549 490 G N -2.159 106.600 108.800 -0.067 0.000 4.199 490 G HA2 0.518 4.478 3.960 -0.000 0.000 0.220 490 G HA3 0.518 4.478 3.960 -0.000 0.000 0.220 490 G C 0.958 175.902 174.900 0.073 0.000 0.841 490 G CA 1.327 46.451 45.100 0.041 0.000 0.973 490 G HN 2.149 nan 8.290 nan 0.000 0.743 491 A N 0.644 123.395 122.820 -0.115 0.000 4.414 491 A HA -0.257 4.063 4.320 -0.000 0.000 0.259 491 A C 1.279 178.720 177.584 -0.240 0.000 0.774 491 A CA 2.829 54.730 52.037 -0.227 0.000 1.184 491 A CB -1.712 17.109 19.000 -0.297 0.000 1.070 491 A HN 1.739 nan 8.150 nan 0.000 0.747 492 D N -0.379 119.975 120.400 -0.076 0.000 2.650 492 D HA 0.325 4.965 4.640 -0.000 0.000 0.265 492 D C 0.481 176.746 176.300 -0.058 0.000 1.339 492 D CA 0.889 54.857 54.000 -0.052 0.000 0.816 492 D CB -1.113 39.789 40.800 0.171 0.000 1.091 492 D HN 0.872 nan 8.370 nan 0.000 0.483 493 T N -2.607 111.860 114.554 -0.144 0.000 2.788 493 T HA 0.184 4.534 4.350 -0.000 0.000 0.287 493 T C 1.740 176.311 174.700 -0.216 0.000 1.007 493 T CA 0.382 62.345 62.100 -0.229 0.000 1.005 493 T CB 1.071 69.643 68.868 -0.493 0.000 1.012 493 T HN 0.071 nan 8.240 nan 0.000 0.530 494 T N -0.426 114.006 114.554 -0.203 0.000 2.760 494 T HA -0.170 4.180 4.350 -0.000 0.000 0.269 494 T C 2.142 176.611 174.700 -0.385 0.000 1.047 494 T CA 1.214 63.222 62.100 -0.154 0.000 1.139 494 T CB -0.964 67.894 68.868 -0.017 0.000 0.855 494 T HN 0.886 nan 8.240 nan 0.000 0.471 495 A N 0.493 123.104 122.820 -0.349 0.000 2.206 495 A HA 0.286 4.606 4.320 -0.000 0.000 0.211 495 A C 1.385 178.585 177.584 -0.640 0.000 1.158 495 A CA 0.667 52.383 52.037 -0.534 0.000 0.761 495 A CB -0.218 18.767 19.000 -0.025 0.000 0.801 495 A HN 0.475 nan 8.150 nan 0.000 0.473 496 T N -1.552 112.751 114.554 -0.419 0.000 2.863 496 T HA 0.414 4.764 4.350 -0.000 0.000 0.285 496 T C -0.146 174.479 174.700 -0.126 0.000 1.009 496 T CA -0.483 61.489 62.100 -0.213 0.000 0.989 496 T CB 1.389 70.188 68.868 -0.115 0.000 1.004 496 T HN 0.110 nan 8.240 nan 0.000 0.455 497 D N 2.219 122.628 120.400 0.015 0.000 2.289 497 D HA 0.249 4.889 4.640 -0.000 0.000 0.207 497 D C 0.241 176.537 176.300 -0.006 0.000 0.966 497 D CA 0.928 54.965 54.000 0.061 0.000 0.868 497 D CB 0.222 41.101 40.800 0.132 0.000 0.943 497 D HN 0.520 nan 8.370 nan 0.000 0.514 498 I N 0.840 121.384 120.570 -0.044 0.000 2.545 498 I HA 0.269 4.439 4.170 -0.000 0.000 0.292 498 I C -0.315 175.705 176.117 -0.163 0.000 1.040 498 I CA -1.016 60.229 61.300 -0.092 0.000 1.068 498 I CB 2.693 40.647 38.000 -0.077 0.000 1.251 498 I HN -0.297 nan 8.210 nan 0.000 0.424 499 I N 5.127 125.559 120.570 -0.230 0.000 2.587 499 I HA 0.053 4.223 4.170 -0.000 0.000 0.284 499 I C 0.179 176.062 176.117 -0.389 0.000 1.134 499 I CA -0.050 61.017 61.300 -0.388 0.000 1.410 499 I CB 0.003 37.665 38.000 -0.562 0.000 1.392 499 I HN 0.672 nan 8.210 nan 0.000 0.545 500 C N 5.315 124.389 119.300 -0.377 0.000 3.414 500 C HA 0.480 4.940 4.460 -0.000 0.000 0.208 500 C C -2.252 172.556 174.990 -0.303 0.000 1.422 500 C CA -2.266 56.580 59.018 -0.287 0.000 1.437 500 C CB -0.815 26.827 27.740 -0.164 0.000 1.850 500 C HN 0.450 nan 8.230 nan 0.000 0.481 501 P HA 0.347 nan 4.420 nan 0.000 0.274 501 P C -0.399 176.804 177.300 -0.162 0.000 1.246 501 P CA 0.191 63.132 63.100 -0.265 0.000 0.795 501 P CB 0.700 32.251 31.700 -0.248 0.000 1.006 502 M N 0.085 119.596 119.600 -0.148 0.000 2.181 502 M HA 0.471 4.951 4.480 -0.000 0.000 0.323 502 M C -1.061 175.142 176.300 -0.161 0.000 1.004 502 M CA -0.652 54.434 55.300 -0.357 0.000 0.941 502 M CB 1.296 33.565 32.600 -0.553 0.000 1.579 502 M HN 0.183 nan 8.290 nan 0.000 0.427 503 Y N -0.386 120.060 120.300 0.244 0.000 4.366 503 Y HA -0.173 4.377 4.550 -0.000 0.000 0.236 503 Y C 0.316 176.365 175.900 0.248 0.000 1.142 503 Y CA 0.324 58.578 58.100 0.258 0.000 2.024 503 Y CB -2.510 36.111 38.460 0.269 0.000 1.621 503 Y HN 0.987 nan 8.280 nan 0.000 0.694 504 A N 0.743 123.790 122.820 0.378 0.000 2.354 504 A HA 0.664 4.984 4.320 -0.000 0.000 0.269 504 A C 0.628 178.441 177.584 0.380 0.000 1.109 504 A CA -0.586 51.655 52.037 0.341 0.000 0.800 504 A CB 0.442 19.663 19.000 0.370 0.000 1.045 504 A HN 0.328 nan 8.150 nan 0.000 0.489 505 R N 1.884 122.520 120.500 0.227 0.000 2.297 505 R HA 0.304 4.644 4.340 -0.000 0.000 0.308 505 R C 1.085 177.374 176.300 -0.018 0.000 1.029 505 R CA -0.557 55.605 56.100 0.104 0.000 0.929 505 R CB 1.220 31.539 30.300 0.031 0.000 1.046 505 R HN 0.547 nan 8.270 nan 0.000 0.461 506 V N 2.086 121.844 119.914 -0.260 0.000 2.277 506 V HA -0.328 3.792 4.120 -0.000 0.000 0.255 506 V C 0.854 176.843 176.094 -0.175 0.000 1.074 506 V CA 2.153 64.260 62.300 -0.323 0.000 1.058 506 V CB -0.197 31.298 31.823 -0.547 0.000 0.656 506 V HN 0.854 nan 8.190 nan 0.000 0.449 507 D N -2.354 117.970 120.400 -0.127 0.000 2.525 507 D HA 0.161 4.801 4.640 -0.000 0.000 0.231 507 D C 0.625 176.899 176.300 -0.042 0.000 1.216 507 D CA -0.034 53.919 54.000 -0.078 0.000 0.813 507 D CB 0.950 41.705 40.800 -0.075 0.000 1.108 507 D HN 0.476 nan 8.370 nan 0.000 0.524 508 E N 1.449 121.626 120.200 -0.039 0.000 2.179 508 E HA 0.186 4.536 4.350 -0.000 0.000 0.275 508 E C -1.130 175.449 176.600 -0.035 0.000 0.945 508 E CA -0.589 55.791 56.400 -0.034 0.000 0.792 508 E CB 1.493 31.168 29.700 -0.043 0.000 1.125 508 E HN -0.165 nan 8.360 nan 0.000 0.397 509 D N 3.285 123.659 120.400 -0.044 0.000 2.198 509 D HA 0.142 4.782 4.640 -0.000 0.000 0.245 509 D C -0.682 175.469 176.300 -0.248 0.000 1.079 509 D CA -0.178 53.767 54.000 -0.092 0.000 0.854 509 D CB 1.351 42.181 40.800 0.049 0.000 1.148 509 D HN 0.301 nan 8.370 nan 0.000 0.456 510 Q N 2.251 121.776 119.800 -0.459 0.000 2.506 510 Q HA 0.294 4.634 4.340 -0.000 0.000 0.242 510 Q C -2.224 173.127 176.000 -1.082 0.000 1.060 510 Q CA -1.787 53.574 55.803 -0.737 0.000 0.826 510 Q CB 1.514 29.778 28.738 -0.791 0.000 1.169 510 Q HN 0.107 nan 8.270 nan 0.000 0.521 511 P HA 0.037 nan 4.420 nan 0.000 0.241 511 P C -1.020 176.070 177.300 -0.351 0.000 1.760 511 P CA -0.072 62.678 63.100 -0.584 0.000 1.081 511 P CB -0.368 31.153 31.700 -0.298 0.000 1.975 512 F N 3.639 123.442 119.950 -0.245 0.000 2.427 512 F HA 0.287 4.814 4.527 -0.000 0.000 0.352 512 F C -1.454 174.260 175.800 -0.144 0.000 1.100 512 F CA -3.380 54.527 58.000 -0.155 0.000 1.191 512 F CB -0.445 38.477 39.000 -0.130 0.000 1.128 512 F HN 0.096 nan 8.300 nan 0.000 0.533 513 P HA 0.096 nan 4.420 nan 0.000 0.264 513 P C 0.499 177.825 177.300 0.044 0.000 1.183 513 P CA 1.036 64.164 63.100 0.047 0.000 0.763 513 P CB 0.842 32.563 31.700 0.036 0.000 0.807 514 A N 3.069 125.905 122.820 0.028 0.000 3.292 514 A HA -0.267 4.053 4.320 -0.000 0.000 0.241 514 A C 0.871 178.473 177.584 0.031 0.000 0.569 514 A CA 2.101 54.158 52.037 0.033 0.000 1.149 514 A CB -2.744 16.276 19.000 0.033 0.000 1.321 514 A HN 0.647 nan 8.150 nan 0.000 0.679 515 V N -3.018 116.919 119.914 0.039 0.000 2.759 515 V HA 0.477 4.597 4.120 -0.000 0.000 0.342 515 V C -2.200 173.903 176.094 0.015 0.000 1.228 515 V CA -1.325 61.003 62.300 0.046 0.000 1.302 515 V CB -0.019 31.840 31.823 0.059 0.000 1.496 515 V HN 0.429 nan 8.190 nan 0.000 0.628 516 P HA 0.132 nan 4.420 nan 0.000 0.269 516 P C -0.567 176.288 177.300 -0.741 0.000 1.205 516 P CA 0.589 63.275 63.100 -0.690 0.000 0.780 516 P CB 0.480 31.406 31.700 -1.291 0.000 0.858 517 K N 1.325 121.182 120.400 -0.904 0.000 2.616 517 K HA 0.306 4.626 4.320 -0.000 0.000 0.241 517 K C -0.941 175.270 176.600 -0.648 0.000 0.961 517 K CA -0.331 55.657 56.287 -0.498 0.000 0.942 517 K CB 0.804 33.301 32.500 -0.005 0.000 1.153 517 K HN 0.401 nan 8.250 nan 0.000 0.452 518 W N 1.498 122.432 121.300 -0.610 0.000 2.215 518 W HA 0.215 4.875 4.660 -0.000 0.000 0.342 518 W C 1.125 177.590 176.519 -0.091 0.000 1.237 518 W CA -0.713 56.369 57.345 -0.438 0.000 1.283 518 W CB 0.749 29.773 29.460 -0.727 0.000 1.131 518 W HN 0.449 nan 8.180 nan 0.000 0.606 519 S N 3.629 119.437 115.700 0.180 0.000 2.593 519 S HA -0.120 4.350 4.470 -0.000 0.000 0.300 519 S C 1.272 175.994 174.600 0.203 0.000 1.267 519 S CA -0.029 58.245 58.200 0.123 0.000 1.065 519 S CB 0.108 63.337 63.200 0.048 0.000 0.807 519 S HN 0.579 nan 8.310 nan 0.000 0.499 520 I N 2.295 122.981 120.570 0.193 0.000 2.335 520 I HA -0.225 3.945 4.170 -0.000 0.000 0.251 520 I C 1.783 177.953 176.117 0.089 0.000 1.129 520 I CA 1.579 63.005 61.300 0.211 0.000 1.402 520 I CB -0.463 37.626 38.000 0.148 0.000 1.069 520 I HN 0.673 nan 8.210 nan 0.000 0.424 521 K N 1.733 122.095 120.400 -0.064 0.000 2.217 521 K HA -0.120 4.200 4.320 -0.000 0.000 0.202 521 K C 2.157 178.782 176.600 0.041 0.000 1.051 521 K CA 1.469 57.669 56.287 -0.147 0.000 0.952 521 K CB -0.245 32.027 32.500 -0.380 0.000 0.736 521 K HN 0.396 nan 8.250 nan 0.000 0.453 522 K N 0.657 121.081 120.400 0.041 0.000 2.103 522 K HA -0.147 4.173 4.320 -0.000 0.000 0.204 522 K C 1.766 178.368 176.600 0.003 0.000 1.052 522 K CA 0.705 56.987 56.287 -0.007 0.000 0.945 522 K CB -0.092 32.377 32.500 -0.053 0.000 0.722 522 K HN 0.189 nan 8.250 nan 0.000 0.443 523 W N 1.971 123.260 121.300 -0.018 0.000 2.289 523 W HA -0.269 4.391 4.660 -0.000 0.000 0.331 523 W C 1.614 178.106 176.519 -0.046 0.000 1.283 523 W CA 1.748 59.089 57.345 -0.006 0.000 1.252 523 W CB -0.897 28.610 29.460 0.079 0.000 1.153 523 W HN 0.125 nan 8.180 nan 0.000 0.467 524 L N 0.840 122.226 121.223 0.271 0.000 2.187 524 L HA -0.248 4.092 4.340 -0.000 0.000 0.213 524 L C 2.590 179.515 176.870 0.091 0.000 1.100 524 L CA 1.734 56.664 54.840 0.151 0.000 0.765 524 L CB -1.282 40.852 42.059 0.125 0.000 0.904 524 L HN 0.039 nan 8.230 nan 0.000 0.437 525 S N -0.385 115.350 115.700 0.058 0.000 2.489 525 S HA 0.027 4.497 4.470 -0.000 0.000 0.228 525 S C 0.999 175.571 174.600 -0.047 0.000 0.995 525 S CA -0.283 57.918 58.200 0.002 0.000 0.934 525 S CB -0.371 62.822 63.200 -0.010 0.000 0.771 525 S HN 0.238 nan 8.310 nan 0.000 0.522 526 L N 2.432 123.607 121.223 -0.079 0.000 2.573 526 L HA 0.129 4.469 4.340 -0.000 0.000 0.290 526 L C -2.188 174.639 176.870 -0.072 0.000 1.247 526 L CA -1.181 53.579 54.840 -0.135 0.000 0.876 526 L CB -0.351 41.603 42.059 -0.176 0.000 1.123 526 L HN 0.165 nan 8.230 nan 0.000 0.505 527 P HA 0.035 nan 4.420 nan 0.000 0.261 527 P C 0.764 178.046 177.300 -0.030 0.000 1.203 527 P CA 0.897 63.965 63.100 -0.054 0.000 0.767 527 P CB 0.685 32.349 31.700 -0.060 0.000 0.785 528 G N 2.295 111.086 108.800 -0.016 0.000 2.279 528 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.223 528 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.223 528 G C 0.290 175.196 174.900 0.010 0.000 1.015 528 G CA -0.407 44.692 45.100 -0.002 0.000 0.621 528 G HN 0.512 nan 8.290 nan 0.000 0.506 529 E N 1.198 121.409 120.200 0.017 0.000 2.413 529 E HA 0.428 4.778 4.350 -0.000 0.000 0.263 529 E C 1.445 178.058 176.600 0.021 0.000 1.015 529 E CA 1.147 57.568 56.400 0.036 0.000 0.916 529 E CB 0.995 30.743 29.700 0.080 0.000 0.947 529 E HN 0.665 nan 8.360 nan 0.000 0.440 530 T N -0.206 114.357 114.554 0.016 0.000 3.073 530 T HA 0.221 4.571 4.350 -0.000 0.000 0.264 530 T C 0.867 175.565 174.700 -0.004 0.000 0.893 530 T CA -0.427 61.676 62.100 0.006 0.000 0.863 530 T CB 0.510 69.382 68.868 0.006 0.000 1.247 530 T HN 0.164 nan 8.240 nan 0.000 0.546 531 R N 2.116 122.609 120.500 -0.012 0.000 2.840 531 R HA 0.443 4.783 4.340 -0.000 0.000 0.282 531 R C -2.549 173.719 176.300 -0.054 0.000 1.133 531 R CA -1.329 54.750 56.100 -0.035 0.000 1.208 531 R CB -0.106 30.161 30.300 -0.055 0.000 1.160 531 R HN 0.232 nan 8.270 nan 0.000 0.576 532 P HA 0.167 nan 4.420 nan 0.000 0.283 532 P C -1.424 175.783 177.300 -0.155 0.000 1.271 532 P CA -0.478 62.561 63.100 -0.102 0.000 0.841 532 P CB 0.732 32.369 31.700 -0.105 0.000 1.122 533 L N 2.565 123.676 121.223 -0.188 0.000 2.333 533 L HA 0.573 4.913 4.340 -0.000 0.000 0.280 533 L C -1.142 175.544 176.870 -0.307 0.000 1.004 533 L CA -0.638 54.047 54.840 -0.259 0.000 0.820 533 L CB 0.043 41.965 42.059 -0.229 0.000 1.247 533 L HN 0.288 nan 8.230 nan 0.000 0.416 534 I N 6.195 126.580 120.570 -0.308 0.000 2.540 534 I HA 0.217 4.387 4.170 -0.000 0.000 0.280 534 I C -0.672 175.280 176.117 -0.276 0.000 1.083 534 I CA -0.530 60.569 61.300 -0.335 0.000 1.080 534 I CB 1.736 39.572 38.000 -0.273 0.000 1.205 534 I HN 0.454 nan 8.210 nan 0.000 0.459 535 L N 5.728 126.754 121.223 -0.328 0.000 2.654 535 L HA -0.035 4.305 4.340 -0.000 0.000 0.271 535 L C 1.643 178.495 176.870 -0.031 0.000 1.169 535 L CA -0.096 54.625 54.840 -0.199 0.000 0.947 535 L CB 0.188 42.116 42.059 -0.218 0.000 1.232 535 L HN 0.832 nan 8.230 nan 0.000 0.486 536 C N 0.575 119.895 119.300 0.034 0.000 2.435 536 C HA 0.033 4.493 4.460 -0.000 0.000 0.279 536 C C 0.784 175.950 174.990 0.294 0.000 1.321 536 C CA -0.077 59.075 59.018 0.223 0.000 1.752 536 C CB -0.930 26.851 27.740 0.068 0.000 1.959 536 C HN 0.822 nan 8.230 nan 0.000 0.500 537 E N -0.212 120.040 120.200 0.087 0.000 2.302 537 E HA 0.552 4.902 4.350 -0.000 0.000 0.263 537 E C -1.340 175.313 176.600 0.087 0.000 0.897 537 E CA -0.258 56.167 56.400 0.042 0.000 0.809 537 E CB 1.620 31.062 29.700 -0.431 0.000 1.270 537 E HN 0.617 nan 8.360 nan 0.000 0.410 538 Y N 0.318 120.820 120.300 0.336 0.000 2.519 538 Y HA 0.626 5.176 4.550 -0.000 0.000 0.336 538 Y C -0.353 175.805 175.900 0.430 0.000 1.089 538 Y CA -1.049 57.277 58.100 0.377 0.000 1.025 538 Y CB 1.054 39.468 38.460 -0.078 0.000 1.318 538 Y HN 0.574 nan 8.280 nan 0.000 0.452 539 A N 2.851 125.768 122.820 0.161 0.000 3.091 539 A HA -0.240 4.080 4.320 -0.000 0.000 0.271 539 A C 0.119 177.795 177.584 0.154 0.000 1.400 539 A CA 0.722 52.811 52.037 0.086 0.000 0.757 539 A CB -2.825 16.186 19.000 0.017 0.000 1.032 539 A HN 1.332 nan 8.150 nan 0.000 0.519 540 H N 0.230 119.359 119.070 0.098 0.000 4.854 540 H HA 0.068 4.624 4.556 -0.000 0.000 0.158 540 H C 1.421 176.778 175.328 0.049 0.000 0.697 540 H CA 0.872 57.004 56.048 0.140 0.000 1.332 540 H CB -0.389 29.314 29.762 -0.099 0.000 1.529 540 H HN 0.990 nan 8.280 nan 0.000 0.903 541 A N 5.572 128.338 122.820 -0.090 0.000 2.028 541 A HA -0.105 4.215 4.320 -0.000 0.000 0.207 541 A C 1.244 178.680 177.584 -0.246 0.000 1.396 541 A CA 0.059 51.989 52.037 -0.177 0.000 1.257 541 A CB -0.823 18.052 19.000 -0.208 0.000 0.752 541 A HN 0.743 nan 8.150 nan 0.000 0.549 542 M N 0.918 120.366 119.600 -0.254 0.000 2.194 542 M HA 0.416 4.896 4.480 -0.000 0.000 0.347 542 M C 1.116 177.236 176.300 -0.300 0.000 1.439 542 M CA 1.155 56.297 55.300 -0.263 0.000 1.131 542 M CB -0.215 32.279 32.600 -0.176 0.000 1.733 542 M HN 0.780 nan 8.290 nan 0.000 0.467 543 G N 4.899 113.492 108.800 -0.345 0.000 2.622 543 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.307 543 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.307 543 G C -0.105 174.260 174.900 -0.892 0.000 1.226 543 G CA 0.250 44.963 45.100 -0.643 0.000 0.997 543 G HN 0.794 nan 8.290 nan 0.000 0.551 544 N N 1.661 119.736 118.700 -1.043 0.000 2.415 544 N HA 0.598 5.338 4.740 -0.000 0.000 0.250 544 N C -0.290 174.933 175.510 -0.479 0.000 1.127 544 N CA 0.843 53.408 53.050 -0.809 0.000 0.945 544 N CB 0.755 38.784 38.487 -0.765 0.000 1.196 544 N HN 0.659 nan 8.380 nan 0.000 0.499 545 S N 1.397 116.887 115.700 -0.350 0.000 2.752 545 S HA 0.620 5.090 4.470 -0.000 0.000 0.284 545 S C -0.613 173.873 174.600 -0.191 0.000 1.189 545 S CA -0.392 57.664 58.200 -0.239 0.000 0.835 545 S CB 0.617 63.710 63.200 -0.177 0.000 1.192 545 S HN 0.376 nan 8.310 nan 0.000 0.506 546 L N 0.271 121.421 121.223 -0.122 0.000 4.237 546 L HA -0.038 4.302 4.340 -0.000 0.000 0.393 546 L C 0.391 177.255 176.870 -0.010 0.000 0.985 546 L CA 0.897 55.693 54.840 -0.073 0.000 1.384 546 L CB -1.663 40.261 42.059 -0.225 0.000 1.965 546 L HN 0.728 nan 8.230 nan 0.000 0.544 547 G N -0.560 108.207 108.800 -0.055 0.000 2.444 547 G HA2 0.524 4.484 3.960 -0.000 0.000 0.303 547 G HA3 0.524 4.484 3.960 -0.000 0.000 0.303 547 G C 1.130 176.025 174.900 -0.009 0.000 1.032 547 G CA 0.459 45.501 45.100 -0.096 0.000 1.137 547 G HN 1.209 nan 8.290 nan 0.000 0.430 548 G N 2.127 110.949 108.800 0.037 0.000 2.367 548 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.181 548 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.181 548 G C 0.951 176.002 174.900 0.252 0.000 1.000 548 G CA 0.328 45.493 45.100 0.109 0.000 0.693 548 G HN 0.487 nan 8.290 nan 0.000 0.480 549 F N 2.234 122.263 119.950 0.133 0.000 2.088 549 F HA -0.159 4.368 4.527 -0.000 0.000 0.296 549 F C 2.978 178.939 175.800 0.269 0.000 1.161 549 F CA 3.547 61.679 58.000 0.220 0.000 1.236 549 F CB -0.886 38.173 39.000 0.100 0.000 0.936 549 F HN 0.425 nan 8.300 nan 0.000 0.528 550 A N -0.877 122.117 122.820 0.288 0.000 2.159 550 A HA -0.299 4.021 4.320 -0.000 0.000 0.222 550 A C 2.243 179.864 177.584 0.062 0.000 1.163 550 A CA 2.033 54.172 52.037 0.170 0.000 0.664 550 A CB -0.891 18.211 19.000 0.170 0.000 0.803 550 A HN 0.550 nan 8.150 nan 0.000 0.470 551 K N -1.670 118.740 120.400 0.016 0.000 2.025 551 K HA -0.160 4.160 4.320 -0.000 0.000 0.207 551 K C 1.788 178.211 176.600 -0.295 0.000 1.049 551 K CA 1.790 58.006 56.287 -0.118 0.000 0.933 551 K CB -0.309 32.097 32.500 -0.157 0.000 0.714 551 K HN 0.595 nan 8.250 nan 0.000 0.438 552 Y N -0.507 119.572 120.300 -0.368 0.000 2.097 552 Y HA -0.255 4.295 4.550 -0.000 0.000 0.282 552 Y C 1.998 177.093 175.900 -1.342 0.000 1.152 552 Y CA 1.548 59.121 58.100 -0.877 0.000 1.136 552 Y CB -0.651 37.262 38.460 -0.912 0.000 0.975 552 Y HN 0.205 nan 8.280 nan 0.000 0.498 553 W N 0.361 121.226 121.300 -0.724 0.000 2.436 553 W HA -0.168 4.492 4.660 -0.000 0.000 0.261 553 W C 2.378 178.716 176.519 -0.303 0.000 1.222 553 W CA 1.347 58.368 57.345 -0.539 0.000 1.191 553 W CB -0.632 28.625 29.460 -0.338 0.000 1.132 553 W HN 0.218 nan 8.180 nan 0.000 0.596 554 Q N -0.532 119.154 119.800 -0.190 0.000 2.107 554 Q HA -0.027 4.313 4.340 -0.000 0.000 0.195 554 Q C 2.473 178.413 176.000 -0.100 0.000 0.964 554 Q CA 1.213 56.968 55.803 -0.081 0.000 0.833 554 Q CB -0.363 28.347 28.738 -0.047 0.000 0.910 554 Q HN 0.158 nan 8.270 nan 0.000 0.465 555 A N 1.021 123.714 122.820 -0.212 0.000 1.859 555 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 555 A C 1.740 179.315 177.584 -0.016 0.000 1.198 555 A CA 1.745 53.673 52.037 -0.181 0.000 0.629 555 A CB -1.135 17.681 19.000 -0.306 0.000 0.830 555 A HN 0.427 nan 8.150 nan 0.000 0.446 556 F N -0.140 119.626 119.950 -0.306 0.000 2.154 556 F HA -0.154 4.373 4.527 -0.000 0.000 0.301 556 F C 2.423 178.107 175.800 -0.193 0.000 1.087 556 F CA 1.314 59.101 58.000 -0.356 0.000 1.274 556 F CB -0.908 37.664 39.000 -0.713 0.000 1.009 556 F HN 0.206 nan 8.300 nan 0.000 0.485 557 R N -0.247 120.286 120.500 0.054 0.000 2.313 557 R HA -0.024 4.316 4.340 -0.000 0.000 0.199 557 R C 1.884 178.228 176.300 0.073 0.000 0.958 557 R CA 0.235 56.369 56.100 0.058 0.000 1.047 557 R CB -0.103 30.230 30.300 0.056 0.000 0.955 557 R HN 0.427 nan 8.270 nan 0.000 0.481 558 Q N -0.630 119.258 119.800 0.146 0.000 2.402 558 Q HA 0.068 4.408 4.340 -0.000 0.000 0.231 558 Q C -0.611 175.508 176.000 0.199 0.000 0.888 558 Q CA 0.349 56.266 55.803 0.190 0.000 0.938 558 Q CB 0.745 29.649 28.738 0.277 0.000 1.086 558 Q HN 0.131 nan 8.270 nan 0.000 0.543 559 Y N 0.772 121.058 120.300 -0.024 0.000 2.369 559 Y HA 0.268 4.818 4.550 -0.000 0.000 0.337 559 Y C -1.735 174.133 175.900 -0.052 0.000 0.961 559 Y CA -2.916 55.164 58.100 -0.032 0.000 1.186 559 Y CB 1.221 39.668 38.460 -0.023 0.000 1.139 559 Y HN 0.120 nan 8.280 nan 0.000 0.494 560 P HA -0.207 nan 4.420 nan 0.000 0.216 560 P C 1.157 178.446 177.300 -0.019 0.000 1.154 560 P CA 1.708 64.796 63.100 -0.019 0.000 0.865 560 P CB 0.350 32.022 31.700 -0.047 0.000 0.789 561 R N -1.103 119.404 120.500 0.012 0.000 2.323 561 R HA 0.113 4.453 4.340 -0.000 0.000 0.198 561 R C 0.382 176.648 176.300 -0.057 0.000 0.988 561 R CA 0.071 56.161 56.100 -0.017 0.000 1.041 561 R CB -0.491 29.806 30.300 -0.005 0.000 0.926 561 R HN 0.273 nan 8.270 nan 0.000 0.476 562 L N 0.992 122.190 121.223 -0.040 0.000 2.260 562 L HA 0.185 4.525 4.340 -0.000 0.000 0.289 562 L C 0.829 177.488 176.870 -0.353 0.000 1.057 562 L CA 0.066 54.795 54.840 -0.186 0.000 0.811 562 L CB 1.524 43.525 42.059 -0.098 0.000 1.184 562 L HN -0.066 nan 8.230 nan 0.000 0.429 563 Q N 2.408 121.902 119.800 -0.510 0.000 2.171 563 Q HA 0.396 4.736 4.340 -0.000 0.000 0.218 563 Q C 0.585 176.125 176.000 -0.766 0.000 0.822 563 Q CA 0.070 55.570 55.803 -0.506 0.000 0.987 563 Q CB 1.379 29.937 28.738 -0.299 0.000 1.144 563 Q HN 0.968 nan 8.270 nan 0.000 0.494 564 G N -0.725 107.234 108.800 -1.402 0.000 2.270 564 G HA2 0.300 4.260 3.960 -0.000 0.000 0.268 564 G HA3 0.300 4.260 3.960 -0.000 0.000 0.268 564 G C -0.730 173.382 174.900 -1.313 0.000 1.312 564 G CA -0.609 43.590 45.100 -1.501 0.000 1.050 564 G HN 0.377 nan 8.290 nan 0.000 0.474 565 G N -2.005 106.240 108.800 -0.925 0.000 2.441 565 G HA2 0.643 4.603 3.960 -0.000 0.000 0.294 565 G HA3 0.643 4.603 3.960 -0.000 0.000 0.294 565 G C -2.040 172.476 174.900 -0.640 0.000 1.393 565 G CA -0.499 44.125 45.100 -0.794 0.000 0.796 565 G HN 1.008 nan 8.290 nan 0.000 0.494 566 F N 0.650 120.827 119.950 0.379 0.000 2.426 566 F HA 0.548 5.075 4.527 -0.000 0.000 0.348 566 F C 0.613 176.775 175.800 0.603 0.000 1.124 566 F CA -0.941 57.337 58.000 0.463 0.000 1.008 566 F CB 2.110 41.293 39.000 0.304 0.000 1.139 566 F HN 0.268 nan 8.300 nan 0.000 0.452 567 V N 2.742 123.058 119.914 0.669 0.000 2.583 567 V HA 0.096 4.216 4.120 -0.000 0.000 0.287 567 V C -0.427 175.916 176.094 0.415 0.000 1.051 567 V CA -0.873 61.658 62.300 0.386 0.000 1.010 567 V CB 1.258 33.245 31.823 0.273 0.000 0.988 567 V HN 0.816 nan 8.190 nan 0.000 0.478 568 W N 6.619 128.066 121.300 0.243 0.000 2.282 568 W HA 0.415 5.075 4.660 -0.000 0.000 0.322 568 W C -0.874 175.664 176.519 0.031 0.000 1.011 568 W CA -0.453 57.029 57.345 0.229 0.000 1.392 568 W CB 1.420 31.149 29.460 0.449 0.000 1.215 568 W HN 0.998 nan 8.180 nan 0.000 0.394 569 D N 3.388 123.507 120.400 -0.468 0.000 3.612 569 D HA 0.106 4.746 4.640 -0.000 0.000 0.152 569 D C 0.782 176.943 176.300 -0.233 0.000 1.365 569 D CA 0.017 53.710 54.000 -0.511 0.000 1.440 569 D CB -0.120 39.847 40.800 -1.388 0.000 1.533 569 D HN 0.351 nan 8.370 nan 0.000 0.347 570 W N 0.855 121.863 121.300 -0.487 0.000 3.097 570 W HA 0.457 5.117 4.660 -0.000 0.000 0.245 570 W C -1.070 175.202 176.519 -0.411 0.000 1.120 570 W CA 0.286 57.392 57.345 -0.398 0.000 1.468 570 W CB 0.912 30.180 29.460 -0.319 0.000 0.851 570 W HN 0.022 nan 8.180 nan 0.000 0.692 571 V N 2.837 122.533 119.914 -0.363 0.000 3.007 571 V HA 0.300 4.420 4.120 -0.000 0.000 0.311 571 V C -0.473 175.354 176.094 -0.445 0.000 1.120 571 V CA -0.820 61.215 62.300 -0.442 0.000 0.980 571 V CB 2.032 33.729 31.823 -0.210 0.000 1.033 571 V HN -0.149 nan 8.190 nan 0.000 0.429 572 D N 2.031 122.180 120.400 -0.418 0.000 2.302 572 D HA 0.216 4.856 4.640 -0.000 0.000 0.248 572 D C -0.208 175.808 176.300 -0.473 0.000 1.094 572 D CA -0.122 53.643 54.000 -0.392 0.000 0.897 572 D CB 1.493 42.142 40.800 -0.252 0.000 1.200 572 D HN 0.525 nan 8.370 nan 0.000 0.429 573 Q N 0.976 120.407 119.800 -0.615 0.000 2.835 573 Q HA 0.188 4.528 4.340 -0.000 0.000 0.235 573 Q C -0.490 175.208 176.000 -0.503 0.000 1.313 573 Q CA -0.300 54.915 55.803 -0.980 0.000 1.053 573 Q CB 0.343 28.516 28.738 -0.941 0.000 1.443 573 Q HN 0.301 nan 8.270 nan 0.000 0.576 574 S N 1.494 117.093 115.700 -0.168 0.000 2.707 574 S HA 0.614 5.084 4.470 -0.000 0.000 0.312 574 S C -0.479 174.305 174.600 0.308 0.000 1.116 574 S CA -0.895 57.388 58.200 0.139 0.000 1.078 574 S CB 0.590 63.860 63.200 0.116 0.000 0.997 574 S HN 0.327 nan 8.310 nan 0.000 0.477 575 L N 2.504 123.950 121.223 0.372 0.000 2.344 575 L HA 0.645 4.985 4.340 -0.000 0.000 0.272 575 L C 0.220 177.095 176.870 0.008 0.000 1.035 575 L CA -1.165 53.786 54.840 0.184 0.000 0.807 575 L CB 0.331 42.430 42.059 0.067 0.000 1.237 575 L HN 0.568 nan 8.230 nan 0.000 0.442 576 I N 1.323 121.829 120.570 -0.105 0.000 2.634 576 I HA 0.223 4.393 4.170 -0.000 0.000 0.284 576 I C 0.357 176.239 176.117 -0.392 0.000 1.124 576 I CA 0.174 61.300 61.300 -0.290 0.000 1.417 576 I CB 0.637 38.476 38.000 -0.269 0.000 1.396 576 I HN 0.672 nan 8.210 nan 0.000 0.571 577 K N 4.171 124.083 120.400 -0.813 0.000 2.283 577 K HA 0.634 4.954 4.320 -0.000 0.000 0.257 577 K C -1.800 174.083 176.600 -1.194 0.000 1.066 577 K CA -0.808 54.924 56.287 -0.924 0.000 0.891 577 K CB 2.328 33.973 32.500 -1.426 0.000 1.438 577 K HN 0.284 nan 8.250 nan 0.000 0.464 578 Y N 0.303 120.359 120.300 -0.407 0.000 2.504 578 Y HA 0.136 4.686 4.550 -0.000 0.000 0.344 578 Y C -0.616 175.438 175.900 0.257 0.000 1.023 578 Y CA -1.268 56.817 58.100 -0.025 0.000 1.020 578 Y CB 1.510 39.955 38.460 -0.025 0.000 1.282 578 Y HN 0.575 nan 8.280 nan 0.000 0.454 579 D N 1.453 122.144 120.400 0.484 0.000 2.894 579 D HA 0.092 4.732 4.640 -0.000 0.000 0.248 579 D C 0.701 177.101 176.300 0.167 0.000 1.291 579 D CA 0.100 54.286 54.000 0.310 0.000 0.840 579 D CB -0.179 40.693 40.800 0.121 0.000 1.044 579 D HN 0.795 nan 8.370 nan 0.000 0.484 580 E N -0.480 119.816 120.200 0.160 0.000 5.086 580 E HA -0.402 3.948 4.350 -0.000 0.000 0.187 580 E C 0.248 176.885 176.600 0.063 0.000 1.056 580 E CA 1.569 58.018 56.400 0.081 0.000 2.105 580 E CB -2.144 27.583 29.700 0.045 0.000 1.787 580 E HN 0.318 nan 8.360 nan 0.000 0.445 581 N N 1.936 120.682 118.700 0.078 0.000 2.515 581 N HA 0.152 4.892 4.740 -0.000 0.000 0.185 581 N C 1.391 176.948 175.510 0.079 0.000 1.109 581 N CA 1.882 54.968 53.050 0.060 0.000 0.903 581 N CB 0.487 39.005 38.487 0.053 0.000 0.969 581 N HN 0.744 nan 8.380 nan 0.000 0.450 582 G N 0.331 109.211 108.800 0.132 0.000 2.140 582 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.211 582 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.211 582 G C -0.473 174.636 174.900 0.349 0.000 1.013 582 G CA -0.555 44.656 45.100 0.185 0.000 0.705 582 G HN 0.257 nan 8.290 nan 0.000 0.508 583 N N 2.145 121.013 118.700 0.279 0.000 2.411 583 N HA 0.319 5.059 4.740 -0.000 0.000 0.259 583 N C -2.563 173.031 175.510 0.139 0.000 1.103 583 N CA -0.953 52.223 53.050 0.209 0.000 0.954 583 N CB 1.585 40.155 38.487 0.138 0.000 1.085 583 N HN 0.185 nan 8.380 nan 0.000 0.485 584 P HA -0.000 nan 4.420 nan 0.000 0.265 584 P C -0.412 176.714 177.300 -0.290 0.000 1.222 584 P CA 0.041 62.781 63.100 -0.600 0.000 0.767 584 P CB 0.032 31.467 31.700 -0.442 0.000 0.801 585 W N 2.258 123.247 121.300 -0.520 0.000 2.554 585 W HA 0.365 5.025 4.660 -0.000 0.000 0.324 585 W C -0.916 175.387 176.519 -0.359 0.000 1.018 585 W CA -1.211 55.839 57.345 -0.491 0.000 1.243 585 W CB -0.017 28.888 29.460 -0.925 0.000 1.345 585 W HN 0.187 nan 8.180 nan 0.000 0.441 586 S N 2.833 118.475 115.700 -0.097 0.000 2.737 586 S HA 0.309 4.779 4.470 -0.000 0.000 0.315 586 S C 0.427 175.120 174.600 0.154 0.000 1.236 586 S CA 0.239 58.429 58.200 -0.016 0.000 1.093 586 S CB 0.300 63.543 63.200 0.072 0.000 0.832 586 S HN 0.641 nan 8.310 nan 0.000 0.507 587 A N 2.845 125.675 122.820 0.017 0.000 2.311 587 A HA 0.868 5.188 4.320 -0.000 0.000 0.334 587 A C -0.396 177.412 177.584 0.374 0.000 1.139 587 A CA -0.888 51.235 52.037 0.143 0.000 0.830 587 A CB 0.738 19.646 19.000 -0.154 0.000 1.234 587 A HN 0.877 nan 8.150 nan 0.000 0.483 588 Y N -0.837 119.711 120.300 0.413 0.000 3.159 588 Y HA 0.768 5.318 4.550 -0.000 0.000 0.299 588 Y C 0.617 176.693 175.900 0.294 0.000 1.666 588 Y CA -1.388 56.836 58.100 0.207 0.000 1.049 588 Y CB -0.078 38.382 38.460 0.001 0.000 1.413 588 Y HN 0.825 nan 8.280 nan 0.000 0.576 589 G N -0.177 108.872 108.800 0.414 0.000 2.334 589 G HA2 0.425 4.385 3.960 -0.000 0.000 0.261 589 G HA3 0.425 4.385 3.960 -0.000 0.000 0.261 589 G C 0.768 175.992 174.900 0.539 0.000 1.257 589 G CA 0.284 45.618 45.100 0.391 0.000 0.935 589 G HN 1.893 nan 8.290 nan 0.000 0.480 590 G N 2.939 112.074 108.800 0.558 0.000 2.313 590 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.215 590 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.215 590 G C 0.961 176.088 174.900 0.378 0.000 1.023 590 G CA 0.529 45.883 45.100 0.424 0.000 0.626 590 G HN 0.601 nan 8.290 nan 0.000 0.503 591 D N 0.309 120.943 120.400 0.390 0.000 2.362 591 D HA -0.050 4.590 4.640 -0.000 0.000 0.215 591 D C 1.227 177.453 176.300 -0.123 0.000 0.978 591 D CA 1.010 55.115 54.000 0.175 0.000 0.921 591 D CB -0.275 40.599 40.800 0.122 0.000 0.895 591 D HN 0.483 nan 8.370 nan 0.000 0.494 592 F N -1.086 118.943 119.950 0.131 0.000 2.791 592 F HA 0.371 4.898 4.527 -0.000 0.000 0.308 592 F C 1.774 177.627 175.800 0.089 0.000 1.138 592 F CA -0.366 57.669 58.000 0.059 0.000 1.294 592 F CB 0.469 39.449 39.000 -0.032 0.000 0.975 592 F HN -0.055 nan 8.300 nan 0.000 0.512 593 G N 0.681 109.622 108.800 0.235 0.000 2.175 593 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.265 593 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.265 593 G C -0.187 174.849 174.900 0.227 0.000 0.979 593 G CA 0.415 45.630 45.100 0.191 0.000 0.663 593 G HN 0.534 nan 8.290 nan 0.000 0.533 594 D N 0.624 121.205 120.400 0.301 0.000 2.389 594 D HA 0.464 5.104 4.640 -0.000 0.000 0.263 594 D C 0.222 176.688 176.300 0.277 0.000 1.255 594 D CA 0.420 54.600 54.000 0.301 0.000 0.914 594 D CB 0.733 41.760 40.800 0.379 0.000 1.116 594 D HN 0.079 nan 8.370 nan 0.000 0.502 595 T N 2.684 117.370 114.554 0.220 0.000 2.928 595 T HA 0.452 4.802 4.350 -0.000 0.000 0.296 595 T C -2.296 172.494 174.700 0.151 0.000 1.000 595 T CA -1.211 60.997 62.100 0.180 0.000 0.989 595 T CB 1.479 70.438 68.868 0.152 0.000 1.005 595 T HN 0.314 nan 8.240 nan 0.000 0.442 596 P HA 0.469 nan 4.420 nan 0.000 0.276 596 P C -0.830 176.560 177.300 0.151 0.000 1.252 596 P CA -0.725 62.445 63.100 0.117 0.000 0.802 596 P CB 0.747 32.485 31.700 0.062 0.000 1.035 597 N N -0.700 118.104 118.700 0.173 0.000 2.455 597 N HA 0.209 4.949 4.740 -0.000 0.000 0.278 597 N C -1.200 174.448 175.510 0.230 0.000 1.291 597 N CA -0.635 52.568 53.050 0.254 0.000 0.780 597 N CB 1.854 40.580 38.487 0.398 0.000 1.520 597 N HN 0.225 nan 8.380 nan 0.000 0.486 598 D N 0.315 120.955 120.400 0.401 0.000 2.772 598 D HA 0.112 4.752 4.640 -0.000 0.000 0.272 598 D C 0.656 177.237 176.300 0.469 0.000 1.314 598 D CA -0.223 54.018 54.000 0.403 0.000 0.835 598 D CB 0.851 41.781 40.800 0.216 0.000 1.080 598 D HN 0.605 nan 8.370 nan 0.000 0.482 599 R N 0.298 120.996 120.500 0.330 0.000 3.559 599 R HA -0.394 3.946 4.340 -0.000 0.000 0.569 599 R C 1.147 177.347 176.300 -0.167 0.000 0.241 599 R CA 1.485 57.684 56.100 0.166 0.000 1.762 599 R CB -1.366 28.959 30.300 0.041 0.000 0.881 599 R HN 0.059 nan 8.270 nan 0.000 0.615 600 Q N 0.321 119.772 119.800 -0.582 0.000 2.181 600 Q HA -0.029 4.311 4.340 -0.000 0.000 0.205 600 Q C 2.049 177.716 176.000 -0.554 0.000 0.980 600 Q CA 2.087 57.400 55.803 -0.816 0.000 0.862 600 Q CB -0.361 27.747 28.738 -1.050 0.000 0.905 600 Q HN 0.453 nan 8.270 nan 0.000 0.429 601 F N 1.142 120.943 119.950 -0.248 0.000 2.146 601 F HA -0.364 4.163 4.527 -0.000 0.000 0.298 601 F C 2.272 177.984 175.800 -0.146 0.000 1.053 601 F CA 1.329 59.289 58.000 -0.067 0.000 1.285 601 F CB -1.041 38.020 39.000 0.101 0.000 1.039 601 F HN 0.364 nan 8.300 nan 0.000 0.497 602 C N -1.809 117.217 119.300 -0.457 0.000 2.449 602 C HA 0.085 4.545 4.460 -0.000 0.000 0.283 602 C C 1.337 176.048 174.990 -0.466 0.000 1.453 602 C CA -0.369 58.243 59.018 -0.677 0.000 1.779 602 C CB -1.721 25.151 27.740 -1.448 0.000 1.779 602 C HN 0.284 nan 8.230 nan 0.000 0.546 603 M N 3.265 122.634 119.600 -0.385 0.000 2.103 603 M HA 0.310 4.790 4.480 -0.000 0.000 0.350 603 M C -0.080 176.039 176.300 -0.301 0.000 1.100 603 M CA 0.204 55.307 55.300 -0.328 0.000 1.042 603 M CB 0.170 32.608 32.600 -0.271 0.000 1.368 603 M HN 0.264 nan 8.290 nan 0.000 0.404 604 N N 1.666 120.169 118.700 -0.329 0.000 2.307 604 N HA 0.168 4.908 4.740 -0.000 0.000 0.248 604 N C 0.247 175.486 175.510 -0.453 0.000 1.322 604 N CA -0.142 52.686 53.050 -0.371 0.000 0.861 604 N CB 1.128 39.409 38.487 -0.344 0.000 1.303 604 N HN 0.673 nan 8.380 nan 0.000 0.498 605 G N 0.038 108.535 108.800 -0.505 0.000 2.572 605 G HA2 0.376 4.336 3.960 -0.000 0.000 0.261 605 G HA3 0.376 4.336 3.960 -0.000 0.000 0.261 605 G C 0.649 175.031 174.900 -0.862 0.000 1.197 605 G CA -0.373 44.330 45.100 -0.662 0.000 0.870 605 G HN 0.182 nan 8.290 nan 0.000 0.548 606 L N 0.175 120.867 121.223 -0.884 0.000 2.693 606 L HA 0.287 4.627 4.340 -0.000 0.000 0.235 606 L C 0.227 176.456 176.870 -1.068 0.000 1.127 606 L CA 0.081 54.429 54.840 -0.821 0.000 0.914 606 L CB 0.308 42.049 42.059 -0.531 0.000 1.193 606 L HN 0.424 nan 8.230 nan 0.000 0.502 607 V N -4.927 114.167 119.914 -1.365 0.000 3.147 607 V HA 0.480 4.600 4.120 -0.000 0.000 0.299 607 V C -1.040 174.543 176.094 -0.851 0.000 1.302 607 V CA -1.026 60.645 62.300 -1.049 0.000 1.015 607 V CB 2.042 33.330 31.823 -0.891 0.000 1.086 607 V HN -0.091 nan 8.190 nan 0.000 0.437 608 F N 2.286 122.057 119.950 -0.298 0.000 2.382 608 F HA 0.705 5.232 4.527 -0.000 0.000 0.331 608 F C 1.882 177.564 175.800 -0.197 0.000 1.121 608 F CA 0.602 58.517 58.000 -0.141 0.000 1.183 608 F CB 1.577 40.556 39.000 -0.036 0.000 1.207 608 F HN 0.920 nan 8.300 nan 0.000 0.555 609 A N 1.120 123.997 122.820 0.095 0.000 2.067 609 A HA -0.252 4.068 4.320 -0.000 0.000 0.224 609 A C 1.516 179.064 177.584 -0.060 0.000 1.172 609 A CA 2.365 54.402 52.037 0.001 0.000 0.662 609 A CB -0.746 18.277 19.000 0.039 0.000 0.814 609 A HN 0.783 nan 8.150 nan 0.000 0.468 610 D N -2.074 118.318 120.400 -0.014 0.000 2.340 610 D HA 0.203 4.843 4.640 -0.000 0.000 0.217 610 D C 0.015 176.303 176.300 -0.020 0.000 1.081 610 D CA 0.038 54.009 54.000 -0.048 0.000 0.842 610 D CB 0.216 40.985 40.800 -0.052 0.000 0.934 610 D HN 0.195 nan 8.370 nan 0.000 0.511 611 R N 0.332 120.815 120.500 -0.028 0.000 3.407 611 R HA -0.106 4.234 4.340 -0.000 0.000 0.277 611 R C -0.741 175.540 176.300 -0.032 0.000 1.119 611 R CA 0.526 56.595 56.100 -0.051 0.000 0.750 611 R CB -3.024 27.292 30.300 0.027 0.000 1.258 611 R HN 0.291 nan 8.270 nan 0.000 0.432 612 T N -1.918 112.644 114.554 0.013 0.000 2.809 612 T HA 0.642 4.992 4.350 -0.000 0.000 0.284 612 T C -2.556 172.212 174.700 0.113 0.000 0.992 612 T CA -2.301 59.832 62.100 0.055 0.000 0.957 612 T CB 2.639 71.542 68.868 0.057 0.000 0.942 612 T HN -0.179 nan 8.240 nan 0.000 0.439 613 P HA -0.034 nan 4.420 nan 0.000 0.264 613 P C 0.081 177.430 177.300 0.082 0.000 1.173 613 P CA 0.205 63.284 63.100 -0.035 0.000 0.761 613 P CB 0.317 31.997 31.700 -0.034 0.000 0.794 614 H N 3.600 122.512 119.070 -0.264 0.000 2.490 614 H HA 0.123 4.679 4.556 -0.000 0.000 0.354 614 H C -1.186 174.025 175.328 -0.195 0.000 1.365 614 H CA -1.828 54.049 56.048 -0.285 0.000 1.413 614 H CB 0.480 30.015 29.762 -0.379 0.000 1.631 614 H HN 0.309 nan 8.280 nan 0.000 0.607 615 P HA -0.023 nan 4.420 nan 0.000 0.221 615 P C 1.142 178.387 177.300 -0.092 0.000 1.155 615 P CA 1.106 64.141 63.100 -0.109 0.000 0.812 615 P CB 0.022 31.635 31.700 -0.145 0.000 0.801 616 A N 0.812 123.577 122.820 -0.093 0.000 1.869 616 A HA -0.258 4.062 4.320 -0.000 0.000 0.218 616 A C 2.156 179.651 177.584 -0.147 0.000 1.203 616 A CA 2.128 54.078 52.037 -0.146 0.000 0.638 616 A CB -1.848 17.052 19.000 -0.166 0.000 0.831 616 A HN 0.160 nan 8.150 nan 0.000 0.450 617 L N -0.316 120.837 121.223 -0.117 0.000 2.186 617 L HA -0.303 4.037 4.340 -0.000 0.000 0.221 617 L C 2.449 179.320 176.870 0.001 0.000 1.087 617 L CA 2.913 57.717 54.840 -0.060 0.000 0.794 617 L CB -0.742 41.275 42.059 -0.070 0.000 0.893 617 L HN 0.535 nan 8.230 nan 0.000 0.442 618 T N -2.331 112.223 114.554 0.000 0.000 3.023 618 T HA -0.094 4.256 4.350 -0.000 0.000 0.266 618 T C 1.598 176.357 174.700 0.098 0.000 1.093 618 T CA 0.901 63.058 62.100 0.095 0.000 1.129 618 T CB -0.016 68.907 68.868 0.092 0.000 0.899 618 T HN 0.347 nan 8.240 nan 0.000 0.491 619 E N 2.171 122.352 120.200 -0.032 0.000 2.015 619 E HA 0.024 4.374 4.350 -0.000 0.000 0.191 619 E C 2.323 178.842 176.600 -0.135 0.000 0.991 619 E CA 1.342 57.711 56.400 -0.051 0.000 0.802 619 E CB -0.701 28.922 29.700 -0.128 0.000 0.759 619 E HN 0.356 nan 8.360 nan 0.000 0.447 620 A N 1.289 123.878 122.820 -0.385 0.000 1.859 620 A HA -0.354 3.966 4.320 -0.000 0.000 0.218 620 A C 2.208 179.641 177.584 -0.253 0.000 1.209 620 A CA 2.721 54.501 52.037 -0.429 0.000 0.639 620 A CB -1.032 17.794 19.000 -0.290 0.000 0.835 620 A HN 0.343 nan 8.150 nan 0.000 0.450 621 K N -1.239 119.112 120.400 -0.081 0.000 2.071 621 K HA -0.322 3.998 4.320 -0.000 0.000 0.217 621 K C 2.125 178.607 176.600 -0.198 0.000 1.054 621 K CA 2.330 58.592 56.287 -0.041 0.000 0.937 621 K CB -0.511 32.095 32.500 0.177 0.000 0.719 621 K HN 0.776 nan 8.250 nan 0.000 0.454 622 H N -0.434 118.473 119.070 -0.273 0.000 2.267 622 H HA -0.126 4.430 4.556 -0.000 0.000 0.297 622 H C 1.990 177.045 175.328 -0.454 0.000 1.080 622 H CA 1.786 57.518 56.048 -0.526 0.000 1.278 622 H CB 0.153 29.707 29.762 -0.346 0.000 1.365 622 H HN 0.328 nan 8.280 nan 0.000 0.489 623 Q N 0.450 119.980 119.800 -0.451 0.000 2.297 623 Q HA -0.131 4.209 4.340 -0.000 0.000 0.208 623 Q C 1.689 177.156 176.000 -0.890 0.000 0.981 623 Q CA 1.306 56.798 55.803 -0.518 0.000 0.876 623 Q CB -0.085 28.547 28.738 -0.177 0.000 0.921 623 Q HN 0.717 nan 8.270 nan 0.000 0.446 624 Q N 0.407 119.633 119.800 -0.958 0.000 2.247 624 Q HA 0.061 4.401 4.340 -0.000 0.000 0.204 624 Q C 0.170 175.614 176.000 -0.928 0.000 0.872 624 Q CA -0.290 54.844 55.803 -1.115 0.000 0.951 624 Q CB 0.408 28.501 28.738 -1.075 0.000 1.099 624 Q HN 0.416 nan 8.270 nan 0.000 0.501 625 Q N -0.319 119.048 119.800 -0.721 0.000 2.539 625 Q HA -0.053 4.287 4.340 -0.000 0.000 0.268 625 Q C -0.272 175.292 176.000 -0.726 0.000 1.109 625 Q CA 0.484 55.928 55.803 -0.598 0.000 0.968 625 Q CB 0.298 28.834 28.738 -0.336 0.000 1.309 625 Q HN 0.187 nan 8.270 nan 0.000 0.497 626 F N -0.746 119.026 119.950 -0.297 0.000 2.727 626 F HA 0.323 4.850 4.527 -0.000 0.000 0.302 626 F C -0.175 175.059 175.800 -0.944 0.000 1.097 626 F CA -0.254 57.308 58.000 -0.730 0.000 1.330 626 F CB 0.329 38.493 39.000 -1.393 0.000 1.084 626 F HN 0.291 nan 8.300 nan 0.000 0.578 627 F N -0.156 119.652 119.950 -0.235 0.000 2.575 627 F HA 0.617 5.144 4.527 -0.000 0.000 0.330 627 F C -0.140 175.338 175.800 -0.537 0.000 1.056 627 F CA -1.110 56.669 58.000 -0.369 0.000 0.964 627 F CB 1.112 39.893 39.000 -0.365 0.000 1.258 627 F HN -0.331 nan 8.300 nan 0.000 0.484 628 Q N 1.685 121.129 119.800 -0.592 0.000 2.289 628 Q HA 0.427 4.767 4.340 -0.000 0.000 0.270 628 Q C -1.743 173.923 176.000 -0.557 0.000 1.038 628 Q CA -0.556 54.968 55.803 -0.465 0.000 0.812 628 Q CB 2.924 31.561 28.738 -0.168 0.000 1.300 628 Q HN 0.477 nan 8.270 nan 0.000 0.427 629 F N 0.474 120.549 119.950 0.209 0.000 2.522 629 F HA 0.682 5.209 4.527 -0.000 0.000 0.324 629 F C 0.441 176.471 175.800 0.383 0.000 1.077 629 F CA -0.875 57.329 58.000 0.340 0.000 0.944 629 F CB 1.640 40.965 39.000 0.541 0.000 1.175 629 F HN 0.112 nan 8.300 nan 0.000 0.468 630 R N 1.886 122.662 120.500 0.459 0.000 2.604 630 R HA 0.608 4.948 4.340 -0.000 0.000 0.281 630 R C -2.116 174.169 176.300 -0.025 0.000 1.020 630 R CA -1.043 55.208 56.100 0.252 0.000 0.899 630 R CB 2.914 33.294 30.300 0.134 0.000 1.205 630 R HN 0.712 nan 8.270 nan 0.000 0.450 631 L N 1.485 122.540 121.223 -0.281 0.000 2.349 631 L HA 0.528 4.868 4.340 -0.000 0.000 0.278 631 L C -1.255 175.425 176.870 -0.317 0.000 0.996 631 L CA 0.039 54.551 54.840 -0.547 0.000 0.825 631 L CB 2.110 43.393 42.059 -1.292 0.000 1.243 631 L HN 0.466 nan 8.230 nan 0.000 0.412 632 S N 3.953 119.520 115.700 -0.222 0.000 2.707 632 S HA 0.812 5.282 4.470 -0.000 0.000 0.312 632 S C 0.411 174.928 174.600 -0.138 0.000 1.116 632 S CA -0.200 57.914 58.200 -0.143 0.000 1.078 632 S CB 1.089 64.238 63.200 -0.086 0.000 0.997 632 S HN 1.397 nan 8.310 nan 0.000 0.477 633 G N 3.765 112.488 108.800 -0.129 0.000 2.583 633 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.292 633 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.292 633 G C 0.182 174.991 174.900 -0.152 0.000 1.203 633 G CA 0.667 45.699 45.100 -0.114 0.000 0.987 633 G HN 0.681 nan 8.290 nan 0.000 0.554 634 Q N 0.646 120.363 119.800 -0.138 0.000 2.280 634 Q HA 0.341 4.681 4.340 -0.000 0.000 0.201 634 Q C 0.703 176.593 176.000 -0.184 0.000 0.890 634 Q CA 0.938 56.638 55.803 -0.172 0.000 0.947 634 Q CB 0.314 28.961 28.738 -0.152 0.000 1.081 634 Q HN 0.624 nan 8.270 nan 0.000 0.502 635 T N 0.332 114.794 114.554 -0.153 0.000 2.729 635 T HA 0.528 4.878 4.350 -0.000 0.000 0.296 635 T C 0.080 174.699 174.700 -0.135 0.000 0.928 635 T CA -0.578 61.451 62.100 -0.119 0.000 1.045 635 T CB 0.697 69.519 68.868 -0.077 0.000 0.902 635 T HN 0.009 nan 8.240 nan 0.000 0.500 636 I N 2.337 122.849 120.570 -0.098 0.000 2.612 636 I HA 0.334 4.504 4.170 -0.000 0.000 0.295 636 I C 0.734 176.870 176.117 0.031 0.000 1.011 636 I CA -0.391 60.881 61.300 -0.047 0.000 1.326 636 I CB 0.921 38.954 38.000 0.055 0.000 1.427 636 I HN 0.674 nan 8.210 nan 0.000 0.537 637 E N 4.951 125.198 120.200 0.077 0.000 2.325 637 E HA 0.403 4.753 4.350 -0.000 0.000 0.248 637 E C -1.687 174.969 176.600 0.093 0.000 0.912 637 E CA -0.480 55.962 56.400 0.070 0.000 0.782 637 E CB 1.316 31.038 29.700 0.037 0.000 1.264 637 E HN 0.390 nan 8.360 nan 0.000 0.417 638 V N 3.009 122.972 119.914 0.081 0.000 2.834 638 V HA 0.358 4.478 4.120 -0.000 0.000 0.301 638 V C 0.329 176.401 176.094 -0.037 0.000 1.066 638 V CA -0.159 62.125 62.300 -0.028 0.000 1.052 638 V CB 1.729 33.561 31.823 0.016 0.000 1.021 638 V HN 0.700 nan 8.190 nan 0.000 0.480 639 T N 2.282 116.766 114.554 -0.116 0.000 2.879 639 T HA 0.277 4.627 4.350 -0.000 0.000 0.290 639 T C -0.445 174.150 174.700 -0.175 0.000 0.993 639 T CA -0.213 61.825 62.100 -0.104 0.000 0.975 639 T CB 1.461 70.271 68.868 -0.096 0.000 0.981 639 T HN 0.704 nan 8.240 nan 0.000 0.439 640 S N 2.316 117.911 115.700 -0.175 0.000 2.465 640 S HA 0.214 4.684 4.470 -0.000 0.000 0.279 640 S C 0.841 175.233 174.600 -0.346 0.000 1.201 640 S CA -0.448 57.542 58.200 -0.350 0.000 1.053 640 S CB 0.404 63.476 63.200 -0.215 0.000 0.953 640 S HN 0.688 nan 8.310 nan 0.000 0.488 641 E N 3.616 123.514 120.200 -0.503 0.000 2.394 641 E HA 0.063 4.413 4.350 -0.000 0.000 0.191 641 E C -0.949 175.481 176.600 -0.284 0.000 1.044 641 E CA 0.011 56.227 56.400 -0.307 0.000 0.939 641 E CB 0.256 29.822 29.700 -0.224 0.000 1.089 641 E HN 0.603 nan 8.360 nan 0.000 0.456 642 Y N 0.404 120.531 120.300 -0.288 0.000 2.308 642 Y HA 0.137 4.687 4.550 -0.000 0.000 0.329 642 Y C 1.239 176.924 175.900 -0.359 0.000 1.111 642 Y CA -0.602 57.288 58.100 -0.350 0.000 1.179 642 Y CB 0.848 39.100 38.460 -0.347 0.000 1.201 642 Y HN -0.055 nan 8.280 nan 0.000 0.483 643 L N 1.464 122.476 121.223 -0.352 0.000 2.084 643 L HA -0.089 4.251 4.340 -0.000 0.000 0.202 643 L C 1.056 177.460 176.870 -0.776 0.000 1.074 643 L CA 1.206 55.547 54.840 -0.831 0.000 0.757 643 L CB -0.181 40.884 42.059 -1.656 0.000 0.918 643 L HN 0.518 nan 8.230 nan 0.000 0.444 644 F N -0.431 119.475 119.950 -0.074 0.000 2.390 644 F HA 0.154 4.681 4.527 -0.000 0.000 0.281 644 F C 1.503 177.241 175.800 -0.103 0.000 1.016 644 F CA -0.583 57.358 58.000 -0.098 0.000 1.286 644 F CB -0.657 38.262 39.000 -0.135 0.000 1.134 644 F HN -0.093 nan 8.300 nan 0.000 0.597 645 R N 1.228 121.701 120.500 -0.045 0.000 2.590 645 R HA 0.132 4.472 4.340 -0.000 0.000 0.274 645 R C -0.717 175.559 176.300 -0.039 0.000 1.061 645 R CA -0.217 55.795 56.100 -0.147 0.000 1.081 645 R CB 0.295 30.399 30.300 -0.326 0.000 0.984 645 R HN 0.333 nan 8.270 nan 0.000 0.448 646 H N 1.156 120.200 119.070 -0.042 0.000 2.517 646 H HA 0.213 4.769 4.556 -0.000 0.000 0.346 646 H C -0.488 174.891 175.328 0.086 0.000 1.222 646 H CA -0.316 55.759 56.048 0.045 0.000 1.314 646 H CB 1.400 31.188 29.762 0.044 0.000 1.609 646 H HN 0.783 nan 8.280 nan 0.000 0.571 647 S N 2.387 118.025 115.700 -0.104 0.000 2.494 647 S HA 0.128 4.598 4.470 -0.000 0.000 0.312 647 S C -1.143 173.646 174.600 0.315 0.000 1.121 647 S CA -0.719 57.584 58.200 0.171 0.000 1.068 647 S CB -0.454 62.833 63.200 0.145 0.000 1.141 647 S HN 0.612 nan 8.310 nan 0.000 0.527 648 D N 1.624 122.176 120.400 0.254 0.000 2.363 648 D HA 0.245 4.885 4.640 -0.000 0.000 0.258 648 D C -0.122 176.257 176.300 0.133 0.000 1.259 648 D CA -0.788 53.327 54.000 0.191 0.000 0.921 648 D CB -0.788 40.112 40.800 0.166 0.000 1.201 648 D HN 0.781 nan 8.370 nan 0.000 0.524 649 N N 0.568 119.340 118.700 0.120 0.000 4.089 649 N HA -0.168 4.572 4.740 -0.000 0.000 0.261 649 N C -1.723 173.855 175.510 0.113 0.000 1.118 649 N CA -0.035 53.074 53.050 0.099 0.000 0.747 649 N CB -0.983 37.552 38.487 0.080 0.000 1.361 649 N HN 0.182 nan 8.380 nan 0.000 0.605 650 E N 0.863 121.119 120.200 0.093 0.000 2.186 650 E HA 0.458 4.808 4.350 -0.000 0.000 0.255 650 E C -1.522 175.067 176.600 -0.019 0.000 0.881 650 E CA -0.621 55.806 56.400 0.045 0.000 0.752 650 E CB 1.149 30.875 29.700 0.044 0.000 1.176 650 E HN 0.307 nan 8.360 nan 0.000 0.421 651 L N 4.146 125.330 121.223 -0.064 0.000 2.287 651 L HA 0.437 4.777 4.340 -0.000 0.000 0.287 651 L C -1.324 175.413 176.870 -0.220 0.000 1.022 651 L CA -0.973 53.772 54.840 -0.160 0.000 0.814 651 L CB 1.279 43.190 42.059 -0.246 0.000 1.217 651 L HN 0.484 nan 8.230 nan 0.000 0.420 652 L N 5.747 126.887 121.223 -0.138 0.000 2.259 652 L HA 0.358 4.698 4.340 -0.000 0.000 0.288 652 L C -0.548 176.351 176.870 0.047 0.000 1.051 652 L CA 0.136 54.973 54.840 -0.006 0.000 0.824 652 L CB 0.014 42.154 42.059 0.136 0.000 1.206 652 L HN 0.560 nan 8.230 nan 0.000 0.429 653 H N 5.569 124.710 119.070 0.118 0.000 2.467 653 H HA 0.467 5.023 4.556 -0.000 0.000 0.326 653 H C -0.936 174.507 175.328 0.190 0.000 1.094 653 H CA -0.610 55.476 56.048 0.063 0.000 1.253 653 H CB 0.928 30.703 29.762 0.020 0.000 1.439 653 H HN 0.711 nan 8.280 nan 0.000 0.479 654 W N 4.270 125.693 121.300 0.204 0.000 2.950 654 W HA 0.603 5.263 4.660 -0.000 0.000 0.340 654 W C -2.107 174.468 176.519 0.093 0.000 1.139 654 W CA -1.219 56.212 57.345 0.144 0.000 1.188 654 W CB 1.695 31.243 29.460 0.146 0.000 1.426 654 W HN 0.398 nan 8.180 nan 0.000 0.531 655 M N 3.402 123.387 119.600 0.640 0.000 2.324 655 M HA 0.376 4.856 4.480 -0.000 0.000 0.288 655 M C -2.069 174.506 176.300 0.458 0.000 1.097 655 M CA -0.618 54.965 55.300 0.471 0.000 0.928 655 M CB 2.469 35.152 32.600 0.138 0.000 1.648 655 M HN 0.307 nan 8.290 nan 0.000 0.460 656 V N 3.981 124.172 119.914 0.461 0.000 2.364 656 V HA 0.821 4.941 4.120 -0.000 0.000 0.272 656 V C -0.322 175.894 176.094 0.204 0.000 1.036 656 V CA -0.225 62.257 62.300 0.304 0.000 0.880 656 V CB 1.144 33.144 31.823 0.294 0.000 0.991 656 V HN 0.863 nan 8.190 nan 0.000 0.460 657 A N 5.909 128.843 122.820 0.191 0.000 2.429 657 A HA 0.673 4.993 4.320 -0.000 0.000 0.289 657 A C -1.286 176.399 177.584 0.167 0.000 1.043 657 A CA -0.560 51.553 52.037 0.127 0.000 0.722 657 A CB 1.289 20.319 19.000 0.050 0.000 1.243 657 A HN 0.629 nan 8.150 nan 0.000 0.415 658 L N 2.409 123.706 121.223 0.124 0.000 2.325 658 L HA 0.353 4.693 4.340 -0.000 0.000 0.284 658 L C -0.055 176.884 176.870 0.115 0.000 1.089 658 L CA 0.609 55.533 54.840 0.139 0.000 0.836 658 L CB -0.484 41.633 42.059 0.098 0.000 1.184 658 L HN 0.822 nan 8.230 nan 0.000 0.444 659 D N 4.729 125.245 120.400 0.192 0.000 2.739 659 D HA -0.212 4.428 4.640 -0.000 0.000 0.230 659 D C 1.198 177.475 176.300 -0.038 0.000 1.167 659 D CA 1.484 55.573 54.000 0.148 0.000 0.640 659 D CB -1.022 39.876 40.800 0.164 0.000 1.045 659 D HN 1.094 nan 8.370 nan 0.000 0.421 660 G N -1.249 107.483 108.800 -0.112 0.000 2.179 660 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.220 660 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.220 660 G C 0.080 174.885 174.900 -0.159 0.000 0.990 660 G CA 0.078 45.027 45.100 -0.251 0.000 0.646 660 G HN 0.403 nan 8.290 nan 0.000 0.517 661 K N 1.855 122.216 120.400 -0.065 0.000 2.404 661 K HA 0.555 4.875 4.320 -0.000 0.000 0.257 661 K C -2.497 174.094 176.600 -0.015 0.000 1.026 661 K CA -2.105 54.154 56.287 -0.047 0.000 0.951 661 K CB 1.897 34.382 32.500 -0.025 0.000 1.203 661 K HN 0.047 nan 8.250 nan 0.000 0.446 662 P HA -0.098 nan 4.420 nan 0.000 0.266 662 P C -0.206 177.105 177.300 0.018 0.000 1.180 662 P CA 0.442 63.532 63.100 -0.015 0.000 0.765 662 P CB 0.472 32.139 31.700 -0.054 0.000 0.806 663 L N 0.167 121.423 121.223 0.056 0.000 3.923 663 L HA 0.461 4.801 4.340 -0.000 0.000 0.374 663 L C 0.341 177.274 176.870 0.105 0.000 1.137 663 L CA -0.048 54.834 54.840 0.070 0.000 1.351 663 L CB 0.315 42.426 42.059 0.088 0.000 1.720 663 L HN 0.354 nan 8.230 nan 0.000 0.634 664 A N 0.032 122.938 122.820 0.145 0.000 2.540 664 A HA 0.770 5.090 4.320 -0.000 0.000 0.297 664 A C -1.144 176.505 177.584 0.109 0.000 1.056 664 A CA -0.250 51.934 52.037 0.244 0.000 0.700 664 A CB 2.020 21.318 19.000 0.496 0.000 1.280 664 A HN -0.095 nan 8.150 nan 0.000 0.398 665 S N 0.414 115.947 115.700 -0.279 0.000 2.549 665 S HA 0.904 5.374 4.470 -0.000 0.000 0.280 665 S C -0.277 173.501 174.600 -1.370 0.000 1.109 665 S CA 0.221 57.971 58.200 -0.750 0.000 0.905 665 S CB 1.770 64.727 63.200 -0.405 0.000 1.081 665 S HN 2.258 nan 8.310 nan 0.000 0.477 666 G N 1.399 109.060 108.800 -1.897 0.000 2.677 666 G HA2 0.615 4.575 3.960 -0.000 0.000 0.291 666 G HA3 0.615 4.575 3.960 -0.000 0.000 0.291 666 G C -2.043 172.431 174.900 -0.710 0.000 1.435 666 G CA -0.507 43.691 45.100 -1.502 0.000 0.826 666 G HN 0.648 nan 8.290 nan 0.000 0.491 667 E N -0.089 120.000 120.200 -0.185 0.000 2.287 667 E HA 0.547 4.897 4.350 -0.000 0.000 0.274 667 E C -1.513 175.148 176.600 0.103 0.000 0.896 667 E CA -0.476 55.975 56.400 0.085 0.000 0.788 667 E CB 2.587 32.373 29.700 0.142 0.000 1.244 667 E HN 0.341 nan 8.360 nan 0.000 0.408 668 V N 5.007 125.001 119.914 0.134 0.000 2.823 668 V HA 0.587 4.707 4.120 -0.000 0.000 0.312 668 V C -2.367 173.773 176.094 0.077 0.000 1.072 668 V CA -2.008 60.372 62.300 0.133 0.000 0.937 668 V CB 2.315 34.254 31.823 0.192 0.000 1.013 668 V HN 0.612 nan 8.190 nan 0.000 0.430 669 P HA 0.301 nan 4.420 nan 0.000 0.286 669 P C -0.693 176.646 177.300 0.066 0.000 1.269 669 P CA -0.296 62.837 63.100 0.055 0.000 0.787 669 P CB 0.770 32.508 31.700 0.062 0.000 0.920 670 L N 3.297 124.548 121.223 0.047 0.000 2.410 670 L HA 0.127 4.467 4.340 -0.000 0.000 0.273 670 L C 0.473 177.398 176.870 0.091 0.000 1.152 670 L CA 0.884 55.753 54.840 0.049 0.000 0.855 670 L CB 0.174 42.221 42.059 -0.021 0.000 1.129 670 L HN 0.493 nan 8.230 nan 0.000 0.463 671 D N 3.089 123.541 120.400 0.087 0.000 2.978 671 D HA 0.268 4.908 4.640 -0.000 0.000 0.268 671 D C -1.214 175.099 176.300 0.021 0.000 1.252 671 D CA -0.278 53.792 54.000 0.117 0.000 0.771 671 D CB 0.689 41.597 40.800 0.181 0.000 1.361 671 D HN 0.086 nan 8.370 nan 0.000 0.558 672 V N 0.230 120.040 119.914 -0.173 0.000 2.495 672 V HA 0.930 5.050 4.120 -0.000 0.000 0.298 672 V C 0.922 176.760 176.094 -0.426 0.000 1.031 672 V CA -1.227 60.971 62.300 -0.170 0.000 0.871 672 V CB 1.214 33.036 31.823 -0.002 0.000 0.988 672 V HN 0.432 nan 8.190 nan 0.000 0.432 673 A N 5.599 128.354 122.820 -0.108 0.000 2.406 673 A HA 0.670 4.990 4.320 -0.000 0.000 0.243 673 A C -2.253 175.328 177.584 -0.005 0.000 1.082 673 A CA -1.216 50.856 52.037 0.057 0.000 0.786 673 A CB -0.402 18.672 19.000 0.123 0.000 1.029 673 A HN 0.750 nan 8.150 nan 0.000 0.495 674 P HA 0.058 nan 4.420 nan 0.000 0.266 674 P C 0.087 177.356 177.300 -0.052 0.000 1.195 674 P CA 0.411 63.498 63.100 -0.022 0.000 0.768 674 P CB 0.430 32.105 31.700 -0.042 0.000 0.838 675 Q N -1.284 118.462 119.800 -0.091 0.000 2.223 675 Q HA -0.217 4.123 4.340 -0.000 0.000 0.150 675 Q C 0.967 176.928 176.000 -0.064 0.000 0.715 675 Q CA 1.944 57.693 55.803 -0.090 0.000 1.376 675 Q CB -2.395 26.292 28.738 -0.085 0.000 1.373 675 Q HN 0.731 nan 8.270 nan 0.000 0.940 676 G N 0.838 109.613 108.800 -0.042 0.000 2.489 676 G HA2 0.431 4.391 3.960 -0.000 0.000 0.271 676 G HA3 0.431 4.391 3.960 -0.000 0.000 0.271 676 G C -0.270 174.616 174.900 -0.023 0.000 1.427 676 G CA -0.378 44.709 45.100 -0.021 0.000 1.057 676 G HN 0.043 nan 8.290 nan 0.000 0.532 677 K N -0.448 119.951 120.400 -0.002 0.000 2.468 677 K HA 0.333 4.653 4.320 -0.000 0.000 0.252 677 K C -1.122 175.493 176.600 0.026 0.000 0.932 677 K CA -0.566 55.724 56.287 0.006 0.000 0.794 677 K CB 2.761 35.263 32.500 0.003 0.000 1.241 677 K HN 0.459 nan 8.250 nan 0.000 0.428 678 Q N 2.710 122.534 119.800 0.040 0.000 2.307 678 Q HA 0.350 4.690 4.340 -0.000 0.000 0.262 678 Q C -1.032 175.002 176.000 0.056 0.000 0.961 678 Q CA -0.590 55.246 55.803 0.056 0.000 0.882 678 Q CB 1.099 29.884 28.738 0.077 0.000 1.264 678 Q HN 0.474 nan 8.270 nan 0.000 0.446 679 L N 6.295 127.546 121.223 0.047 0.000 2.315 679 L HA 0.373 4.713 4.340 -0.000 0.000 0.278 679 L C -0.448 176.446 176.870 0.040 0.000 1.088 679 L CA -0.308 54.553 54.840 0.036 0.000 0.899 679 L CB 0.397 42.470 42.059 0.023 0.000 1.277 679 L HN 0.614 nan 8.230 nan 0.000 0.431 680 I N 3.433 124.032 120.570 0.048 0.000 2.301 680 I HA 0.103 4.273 4.170 -0.000 0.000 0.292 680 I C 0.572 176.690 176.117 0.003 0.000 1.046 680 I CA -0.204 61.125 61.300 0.049 0.000 1.282 680 I CB 0.992 39.048 38.000 0.092 0.000 1.409 680 I HN 0.462 nan 8.210 nan 0.000 0.484 681 E N 7.600 127.804 120.200 0.006 0.000 1.986 681 E HA 0.289 4.639 4.350 -0.000 0.000 0.264 681 E C -0.195 176.387 176.600 -0.029 0.000 1.023 681 E CA -0.445 55.943 56.400 -0.020 0.000 0.834 681 E CB 1.114 30.812 29.700 -0.003 0.000 1.111 681 E HN 0.535 nan 8.360 nan 0.000 0.417 682 L N 4.193 125.356 121.223 -0.101 0.000 2.492 682 L HA 0.077 4.417 4.340 -0.000 0.000 0.280 682 L C -1.661 175.158 176.870 -0.085 0.000 1.240 682 L CA -1.258 53.484 54.840 -0.162 0.000 0.831 682 L CB -0.053 41.803 42.059 -0.338 0.000 1.100 682 L HN 0.242 nan 8.230 nan 0.000 0.505 683 P HA 0.051 nan 4.420 nan 0.000 0.274 683 P C -0.721 176.558 177.300 -0.035 0.000 1.246 683 P CA -0.507 62.596 63.100 0.006 0.000 0.795 683 P CB 0.437 32.189 31.700 0.087 0.000 1.006 684 E N 0.703 120.896 120.200 -0.012 0.000 2.442 684 E HA 0.049 4.399 4.350 -0.000 0.000 0.262 684 E C -0.793 175.796 176.600 -0.018 0.000 1.004 684 E CA 0.004 56.391 56.400 -0.023 0.000 0.928 684 E CB 0.154 29.849 29.700 -0.008 0.000 0.937 684 E HN 0.274 nan 8.360 nan 0.000 0.446 685 L N 5.054 126.255 121.223 -0.036 0.000 2.334 685 L HA 0.420 4.760 4.340 -0.000 0.000 0.272 685 L C -2.049 174.826 176.870 0.009 0.000 1.020 685 L CA -2.433 52.394 54.840 -0.021 0.000 0.812 685 L CB 1.252 43.268 42.059 -0.070 0.000 1.264 685 L HN 0.532 nan 8.230 nan 0.000 0.439 686 P HA -0.033 nan 4.420 nan 0.000 0.260 686 P C -1.340 175.980 177.300 0.033 0.000 1.172 686 P CA 0.091 63.217 63.100 0.044 0.000 0.760 686 P CB 0.140 31.881 31.700 0.068 0.000 0.773 687 Q N 3.209 123.025 119.800 0.027 0.000 3.122 687 Q HA 0.364 4.704 4.340 -0.000 0.000 0.282 687 Q C -2.266 173.749 176.000 0.025 0.000 0.947 687 Q CA -1.677 54.139 55.803 0.022 0.000 0.812 687 Q CB 0.228 28.972 28.738 0.010 0.000 1.333 687 Q HN 0.342 nan 8.270 nan 0.000 0.430 688 P HA 0.030 nan 4.420 nan 0.000 0.272 688 P C -0.134 177.185 177.300 0.031 0.000 1.254 688 P CA -0.135 62.985 63.100 0.034 0.000 0.795 688 P CB 0.997 32.722 31.700 0.043 0.000 1.022 689 E N -1.439 118.780 120.200 0.030 0.000 2.364 689 E HA 0.054 4.404 4.350 -0.000 0.000 0.203 689 E C 0.211 176.831 176.600 0.034 0.000 0.888 689 E CA 0.071 56.488 56.400 0.028 0.000 0.989 689 E CB -0.484 29.230 29.700 0.024 0.000 0.985 689 E HN 0.355 nan 8.360 nan 0.000 0.499 690 S N 1.600 117.322 115.700 0.037 0.000 2.574 690 S HA 0.091 4.561 4.470 -0.000 0.000 0.302 690 S C 0.532 175.162 174.600 0.050 0.000 1.270 690 S CA 0.088 58.313 58.200 0.042 0.000 1.040 690 S CB 0.264 63.490 63.200 0.043 0.000 0.767 690 S HN 0.335 nan 8.310 nan 0.000 0.494 691 A N 2.074 124.926 122.820 0.054 0.000 2.332 691 A HA 0.752 5.072 4.320 -0.000 0.000 0.258 691 A C 0.973 178.605 177.584 0.080 0.000 1.087 691 A CA 0.231 52.305 52.037 0.063 0.000 0.802 691 A CB -0.237 18.800 19.000 0.063 0.000 1.042 691 A HN 2.103 nan 8.150 nan 0.000 0.489 692 G N -0.481 108.374 108.800 0.092 0.000 2.347 692 G HA2 0.252 4.212 3.960 -0.000 0.000 0.477 692 G HA3 0.252 4.212 3.960 -0.000 0.000 0.477 692 G C -1.167 173.814 174.900 0.135 0.000 1.349 692 G CA -0.862 44.315 45.100 0.129 0.000 1.000 692 G HN 0.872 nan 8.290 nan 0.000 0.605 693 Q N -0.513 119.416 119.800 0.215 0.000 2.303 693 Q HA 0.543 4.883 4.340 -0.000 0.000 0.257 693 Q C -0.574 175.605 176.000 0.298 0.000 0.941 693 Q CA -0.705 55.232 55.803 0.223 0.000 0.931 693 Q CB 2.095 31.068 28.738 0.392 0.000 1.215 693 Q HN 0.456 nan 8.270 nan 0.000 0.437 694 L N 4.135 125.426 121.223 0.113 0.000 2.264 694 L HA 0.429 4.769 4.340 -0.000 0.000 0.289 694 L C -1.684 175.258 176.870 0.122 0.000 1.044 694 L CA 0.014 54.948 54.840 0.157 0.000 0.807 694 L CB 0.334 42.438 42.059 0.074 0.000 1.192 694 L HN 0.550 nan 8.230 nan 0.000 0.425 695 W N 5.394 126.784 121.300 0.150 0.000 2.819 695 W HA 0.544 5.204 4.660 -0.000 0.000 0.337 695 W C -0.973 175.654 176.519 0.181 0.000 1.077 695 W CA -0.755 56.698 57.345 0.180 0.000 1.226 695 W CB 1.533 31.129 29.460 0.227 0.000 1.419 695 W HN 0.204 nan 8.180 nan 0.000 0.502 696 L N 3.000 124.514 121.223 0.485 0.000 2.282 696 L HA 0.704 5.044 4.340 -0.000 0.000 0.288 696 L C -0.230 176.919 176.870 0.466 0.000 1.033 696 L CA 0.061 55.155 54.840 0.423 0.000 0.807 696 L CB 0.884 43.166 42.059 0.371 0.000 1.209 696 L HN 0.372 nan 8.230 nan 0.000 0.423 697 T N 4.485 119.260 114.554 0.369 0.000 2.908 697 T HA 0.779 5.129 4.350 -0.000 0.000 0.290 697 T C -1.076 173.799 174.700 0.293 0.000 1.034 697 T CA -0.396 61.865 62.100 0.269 0.000 1.010 697 T CB 1.834 70.802 68.868 0.166 0.000 1.068 697 T HN 0.605 nan 8.240 nan 0.000 0.481 698 V N 1.203 121.224 119.914 0.178 0.000 2.777 698 V HA 0.857 4.977 4.120 -0.000 0.000 0.306 698 V C -1.299 174.861 176.094 0.110 0.000 1.112 698 V CA -1.116 61.282 62.300 0.163 0.000 0.917 698 V CB 1.888 33.772 31.823 0.102 0.000 1.018 698 V HN 0.828 nan 8.190 nan 0.000 0.426 699 R N 2.845 123.462 120.500 0.195 0.000 2.854 699 R HA 0.896 5.236 4.340 -0.000 0.000 0.271 699 R C -1.429 174.992 176.300 0.203 0.000 0.994 699 R CA -0.872 55.374 56.100 0.244 0.000 0.945 699 R CB 2.689 33.140 30.300 0.252 0.000 1.194 699 R HN 0.622 nan 8.270 nan 0.000 0.476 700 V N 2.432 122.478 119.914 0.219 0.000 2.378 700 V HA 0.397 4.517 4.120 -0.000 0.000 0.288 700 V C -0.738 175.445 176.094 0.148 0.000 1.016 700 V CA -0.664 61.707 62.300 0.118 0.000 0.840 700 V CB 1.766 33.592 31.823 0.006 0.000 0.994 700 V HN 0.461 nan 8.190 nan 0.000 0.431 701 V N 4.928 124.871 119.914 0.048 0.000 2.513 701 V HA 0.457 4.577 4.120 -0.000 0.000 0.299 701 V C -0.281 175.852 176.094 0.064 0.000 1.035 701 V CA -0.834 61.517 62.300 0.086 0.000 0.889 701 V CB 1.797 33.664 31.823 0.074 0.000 0.988 701 V HN 0.884 nan 8.190 nan 0.000 0.440 702 Q N 5.412 125.295 119.800 0.139 0.000 2.390 702 Q HA 0.280 4.620 4.340 -0.000 0.000 0.249 702 Q C -1.804 174.242 176.000 0.076 0.000 0.996 702 Q CA -1.694 54.180 55.803 0.119 0.000 0.899 702 Q CB 1.755 30.581 28.738 0.146 0.000 1.216 702 Q HN 0.464 nan 8.270 nan 0.000 0.465 703 P HA -0.244 nan 4.420 nan 0.000 0.213 703 P C -0.617 176.701 177.300 0.030 0.000 1.176 703 P CA 1.480 64.603 63.100 0.038 0.000 0.919 703 P CB 0.220 31.938 31.700 0.030 0.000 0.791 704 N N -0.879 117.833 118.700 0.021 0.000 2.493 704 N HA 0.427 5.167 4.740 -0.000 0.000 0.275 704 N C -0.156 175.330 175.510 -0.040 0.000 1.186 704 N CA -0.601 52.449 53.050 -0.001 0.000 0.978 704 N CB 0.287 38.778 38.487 0.006 0.000 1.184 704 N HN 0.077 nan 8.380 nan 0.000 0.487 705 A N -0.173 122.607 122.820 -0.067 0.000 2.240 705 A HA 0.705 5.025 4.320 -0.000 0.000 0.292 705 A C 0.522 177.994 177.584 -0.187 0.000 1.121 705 A CA -0.178 51.768 52.037 -0.151 0.000 0.851 705 A CB 0.101 19.021 19.000 -0.133 0.000 1.167 705 A HN 0.794 nan 8.150 nan 0.000 0.503 706 T N -4.566 109.776 114.554 -0.354 0.000 2.693 706 T HA 0.612 4.962 4.350 -0.000 0.000 0.278 706 T C 0.790 175.317 174.700 -0.289 0.000 0.994 706 T CA 0.208 62.087 62.100 -0.368 0.000 1.033 706 T CB 1.033 69.319 68.868 -0.970 0.000 1.342 706 T HN 1.359 nan 8.240 nan 0.000 0.538 707 A N -0.237 122.522 122.820 -0.101 0.000 2.072 707 A HA 0.186 4.506 4.320 -0.000 0.000 0.216 707 A C 1.850 179.488 177.584 0.089 0.000 1.156 707 A CA 0.774 52.870 52.037 0.098 0.000 0.701 707 A CB -0.777 18.414 19.000 0.318 0.000 0.816 707 A HN 0.904 nan 8.150 nan 0.000 0.458 708 W N -0.282 121.069 121.300 0.084 0.000 3.013 708 W HA 0.351 5.011 4.660 -0.000 0.000 0.280 708 W C 0.101 176.603 176.519 -0.027 0.000 1.249 708 W CA 0.705 58.045 57.345 -0.008 0.000 1.577 708 W CB -0.876 28.571 29.460 -0.023 0.000 1.057 708 W HN 0.457 nan 8.180 nan 0.000 0.613 709 S N 0.630 115.682 115.700 -1.080 0.000 2.536 709 S HA 0.358 4.828 4.470 -0.000 0.000 0.271 709 S C -0.631 173.666 174.600 -0.505 0.000 1.134 709 S CA -0.693 57.004 58.200 -0.838 0.000 0.897 709 S CB 2.517 64.799 63.200 -1.530 0.000 1.094 709 S HN 0.155 nan 8.310 nan 0.000 0.473 710 E N 1.378 121.455 120.200 -0.204 0.000 2.376 710 E HA 0.512 4.862 4.350 -0.000 0.000 0.254 710 E C 0.637 177.199 176.600 -0.063 0.000 1.213 710 E CA -0.623 55.722 56.400 -0.091 0.000 0.945 710 E CB 0.510 30.206 29.700 -0.006 0.000 1.057 710 E HN 0.885 nan 8.360 nan 0.000 0.479 711 A N 0.291 123.095 122.820 -0.027 0.000 2.448 711 A HA 0.369 4.689 4.320 -0.000 0.000 0.239 711 A C 1.146 178.760 177.584 0.049 0.000 1.080 711 A CA 0.427 52.465 52.037 0.002 0.000 0.779 711 A CB -0.550 18.454 19.000 0.006 0.000 1.026 711 A HN 0.814 nan 8.150 nan 0.000 0.499 712 G N 0.261 109.101 108.800 0.066 0.000 2.321 712 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.287 712 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.287 712 G C 0.348 175.334 174.900 0.143 0.000 1.018 712 G CA 0.794 45.952 45.100 0.097 0.000 0.855 712 G HN 1.559 nan 8.290 nan 0.000 0.507 713 H N 0.071 119.170 119.070 0.048 0.000 2.690 713 H HA 0.349 4.905 4.556 -0.000 0.000 0.365 713 H C 0.200 175.619 175.328 0.152 0.000 1.142 713 H CA -0.745 55.353 56.048 0.084 0.000 1.417 713 H CB 0.562 30.357 29.762 0.054 0.000 1.446 713 H HN 0.042 nan 8.280 nan 0.000 0.599 714 I N 5.077 125.575 120.570 -0.121 0.000 2.291 714 I HA -0.083 4.087 4.170 -0.000 0.000 0.292 714 I C 1.771 178.033 176.117 0.241 0.000 1.064 714 I CA 0.196 61.539 61.300 0.072 0.000 1.269 714 I CB 0.454 38.475 38.000 0.036 0.000 1.418 714 I HN 0.704 nan 8.210 nan 0.000 0.485 715 S N 5.716 121.689 115.700 0.454 0.000 2.362 715 S HA 0.280 4.750 4.470 -0.000 0.000 0.221 715 S C 0.778 175.616 174.600 0.396 0.000 1.032 715 S CA 0.594 59.104 58.200 0.516 0.000 0.973 715 S CB 0.436 63.936 63.200 0.499 0.000 0.849 715 S HN 0.722 nan 8.310 nan 0.000 0.465 716 A N -0.496 122.556 122.820 0.388 0.000 2.586 716 A HA 0.624 4.944 4.320 -0.000 0.000 0.290 716 A C -2.067 175.747 177.584 0.383 0.000 1.086 716 A CA -0.674 51.480 52.037 0.196 0.000 0.665 716 A CB 0.182 19.295 19.000 0.189 0.000 1.279 716 A HN 1.063 nan 8.150 nan 0.000 0.423 717 W N -0.863 120.535 121.300 0.164 0.000 3.248 717 W HA 0.784 5.444 4.660 -0.000 0.000 0.311 717 W C -1.175 175.264 176.519 -0.133 0.000 1.258 717 W CA -0.549 56.777 57.345 -0.031 0.000 1.191 717 W CB 1.232 30.688 29.460 -0.006 0.000 1.389 717 W HN 0.859 nan 8.180 nan 0.000 0.561 718 Q N 1.935 121.585 119.800 -0.250 0.000 2.456 718 Q HA 0.594 4.934 4.340 -0.000 0.000 0.283 718 Q C -1.282 174.420 176.000 -0.495 0.000 1.084 718 Q CA -0.707 54.807 55.803 -0.480 0.000 0.801 718 Q CB 2.664 30.878 28.738 -0.873 0.000 1.434 718 Q HN 0.575 nan 8.270 nan 0.000 0.419 719 Q N 1.166 120.557 119.800 -0.681 0.000 2.353 719 Q HA 0.590 4.930 4.340 -0.000 0.000 0.275 719 Q C -1.405 174.336 176.000 -0.432 0.000 1.029 719 Q CA -0.800 54.798 55.803 -0.340 0.000 0.848 719 Q CB 1.764 30.564 28.738 0.104 0.000 1.390 719 Q HN 0.580 nan 8.270 nan 0.000 0.401 720 W N 1.545 123.024 121.300 0.298 0.000 2.864 720 W HA 0.490 5.150 4.660 -0.000 0.000 0.343 720 W C -0.385 176.147 176.519 0.023 0.000 1.109 720 W CA -0.880 56.564 57.345 0.165 0.000 1.192 720 W CB 2.197 31.695 29.460 0.064 0.000 1.426 720 W HN 0.702 nan 8.180 nan 0.000 0.529 721 R N 2.388 122.770 120.500 -0.196 0.000 2.296 721 R HA 0.243 4.583 4.340 -0.000 0.000 0.327 721 R C 0.847 176.962 176.300 -0.308 0.000 1.137 721 R CA -0.159 55.478 56.100 -0.772 0.000 1.020 721 R CB 0.128 29.654 30.300 -1.289 0.000 1.110 721 R HN 0.552 nan 8.270 nan 0.000 0.499 722 L N 2.908 124.044 121.223 -0.144 0.000 2.013 722 L HA -0.075 4.265 4.340 -0.000 0.000 0.212 722 L C 0.902 177.712 176.870 -0.099 0.000 1.073 722 L CA 1.908 56.705 54.840 -0.072 0.000 0.753 722 L CB -0.271 41.780 42.059 -0.013 0.000 0.890 722 L HN 0.704 nan 8.230 nan 0.000 0.432 723 A N -1.344 121.401 122.820 -0.125 0.000 2.601 723 A HA 0.602 4.922 4.320 -0.000 0.000 0.291 723 A C -1.390 176.137 177.584 -0.095 0.000 1.075 723 A CA -0.564 51.418 52.037 -0.092 0.000 0.671 723 A CB 1.185 20.159 19.000 -0.044 0.000 1.277 723 A HN 0.019 nan 8.150 nan 0.000 0.417 724 E N 0.591 120.754 120.200 -0.061 0.000 2.234 724 E HA 0.535 4.885 4.350 -0.000 0.000 0.266 724 E C -1.526 175.073 176.600 -0.001 0.000 0.877 724 E CA -0.674 55.706 56.400 -0.033 0.000 0.758 724 E CB 1.214 30.888 29.700 -0.043 0.000 1.170 724 E HN 0.504 nan 8.360 nan 0.000 0.415 725 N N 4.809 123.523 118.700 0.024 0.000 2.564 725 N HA 0.259 4.999 4.740 -0.000 0.000 0.248 725 N C -0.879 174.655 175.510 0.040 0.000 0.986 725 N CA -0.382 52.686 53.050 0.031 0.000 0.921 725 N CB 1.011 39.521 38.487 0.038 0.000 1.136 725 N HN 0.551 nan 8.380 nan 0.000 0.509 726 L N 1.738 122.981 121.223 0.033 0.000 2.477 726 L HA 0.081 4.421 4.340 -0.000 0.000 0.272 726 L C 1.113 178.008 176.870 0.042 0.000 1.157 726 L CA 0.053 54.917 54.840 0.039 0.000 0.889 726 L CB 0.288 42.365 42.059 0.031 0.000 1.158 726 L HN 0.481 nan 8.230 nan 0.000 0.473 727 S N 3.139 118.870 115.700 0.051 0.000 2.531 727 S HA 0.214 4.684 4.470 -0.000 0.000 0.279 727 S C 0.562 175.188 174.600 0.043 0.000 1.305 727 S CA -0.493 57.737 58.200 0.050 0.000 1.058 727 S CB 1.526 64.762 63.200 0.059 0.000 0.899 727 S HN 0.518 nan 8.310 nan 0.000 0.493 728 V N 0.780 120.717 119.914 0.038 0.000 3.432 728 V HA 0.307 4.427 4.120 -0.000 0.000 0.298 728 V C 0.717 176.830 176.094 0.031 0.000 1.464 728 V CA 0.415 62.735 62.300 0.033 0.000 1.046 728 V CB -0.727 31.113 31.823 0.027 0.000 0.887 728 V HN 1.024 nan 8.190 nan 0.000 0.441 729 T N 1.412 115.986 114.554 0.034 0.000 2.868 729 T HA 0.626 4.976 4.350 -0.000 0.000 0.292 729 T C -0.226 174.494 174.700 0.034 0.000 1.028 729 T CA -0.304 61.815 62.100 0.032 0.000 1.059 729 T CB 1.212 70.100 68.868 0.033 0.000 0.991 729 T HN 0.474 nan 8.240 nan 0.000 0.531 730 L N 1.542 122.783 121.223 0.030 0.000 2.346 730 L HA 0.543 4.883 4.340 -0.000 0.000 0.274 730 L C -2.044 174.845 176.870 0.032 0.000 1.007 730 L CA -2.615 52.243 54.840 0.030 0.000 0.818 730 L CB 0.875 42.948 42.059 0.023 0.000 1.284 730 L HN 0.539 nan 8.230 nan 0.000 0.424 731 P HA 0.070 nan 4.420 nan 0.000 0.256 731 P C -0.049 177.273 177.300 0.037 0.000 1.173 731 P CA -0.096 63.028 63.100 0.039 0.000 0.768 731 P CB 0.458 32.181 31.700 0.038 0.000 0.758 732 A N 3.892 126.739 122.820 0.045 0.000 2.586 732 A HA 0.332 4.652 4.320 -0.000 0.000 0.231 732 A C 0.929 178.546 177.584 0.055 0.000 1.055 732 A CA 0.236 52.304 52.037 0.053 0.000 0.756 732 A CB -0.317 18.726 19.000 0.072 0.000 0.988 732 A HN 0.787 nan 8.150 nan 0.000 0.509 733 A N 2.387 125.225 122.820 0.031 0.000 2.498 733 A HA 0.480 4.800 4.320 -0.000 0.000 0.239 733 A C 1.068 178.660 177.584 0.014 0.000 1.068 733 A CA 0.399 52.428 52.037 -0.013 0.000 0.766 733 A CB -0.373 18.582 19.000 -0.074 0.000 1.003 733 A HN 2.079 nan 8.150 nan 0.000 0.497 734 S N 0.968 116.669 115.700 0.001 0.000 2.655 734 S HA 0.406 4.876 4.470 -0.000 0.000 0.265 734 S C 0.439 174.997 174.600 -0.070 0.000 1.240 734 S CA 0.148 58.420 58.200 0.121 0.000 0.986 734 S CB 0.377 63.617 63.200 0.066 0.000 0.985 734 S HN 0.717 nan 8.310 nan 0.000 0.562 735 H N -0.231 118.833 119.070 -0.010 0.000 2.695 735 H HA 0.571 5.127 4.556 -0.000 0.000 0.267 735 H C 0.826 176.144 175.328 -0.018 0.000 0.973 735 H CA 0.601 56.643 56.048 -0.010 0.000 1.223 735 H CB -0.103 29.658 29.762 -0.003 0.000 1.442 735 H HN 0.816 nan 8.280 nan 0.000 0.478 736 A N 1.112 123.997 122.820 0.108 0.000 2.269 736 A HA 0.667 4.987 4.320 -0.000 0.000 0.327 736 A C -0.577 176.990 177.584 -0.028 0.000 1.112 736 A CA -0.583 51.470 52.037 0.026 0.000 0.865 736 A CB 0.542 19.562 19.000 0.034 0.000 1.227 736 A HN 0.347 nan 8.150 nan 0.000 0.498 737 I N 0.353 120.866 120.570 -0.095 0.000 2.560 737 I HA 0.428 4.598 4.170 -0.000 0.000 0.283 737 I C -2.775 173.196 176.117 -0.243 0.000 1.115 737 I CA -2.253 58.963 61.300 -0.139 0.000 1.066 737 I CB 2.090 40.027 38.000 -0.105 0.000 1.221 737 I HN 0.370 nan 8.210 nan 0.000 0.450 738 P HA -0.033 nan 4.420 nan 0.000 0.265 738 P C -1.113 176.062 177.300 -0.208 0.000 1.167 738 P CA 0.614 63.634 63.100 -0.134 0.000 0.760 738 P CB 0.134 31.784 31.700 -0.083 0.000 0.783 739 H N 0.784 119.879 119.070 0.041 0.000 2.525 739 H HA 0.442 4.998 4.556 -0.000 0.000 0.339 739 H C 0.016 175.362 175.328 0.030 0.000 1.109 739 H CA -0.593 55.471 56.048 0.027 0.000 1.352 739 H CB 0.512 30.290 29.762 0.027 0.000 1.461 739 H HN 0.271 nan 8.280 nan 0.000 0.533 740 L N 2.492 123.788 121.223 0.121 0.000 2.296 740 L HA 0.436 4.776 4.340 -0.000 0.000 0.286 740 L C -0.607 176.317 176.870 0.090 0.000 1.023 740 L CA -0.089 54.792 54.840 0.070 0.000 0.812 740 L CB 1.328 43.372 42.059 -0.025 0.000 1.223 740 L HN 0.646 nan 8.230 nan 0.000 0.421 741 T N 4.013 118.639 114.554 0.120 0.000 2.892 741 T HA 0.410 4.760 4.350 -0.000 0.000 0.311 741 T C 0.222 175.037 174.700 0.193 0.000 1.033 741 T CA -0.375 61.798 62.100 0.121 0.000 0.991 741 T CB 0.856 69.781 68.868 0.095 0.000 0.981 741 T HN 0.731 nan 8.240 nan 0.000 0.457 742 T N 2.194 116.866 114.554 0.197 0.000 2.773 742 T HA 0.626 4.976 4.350 -0.000 0.000 0.337 742 T C 0.451 175.240 174.700 0.149 0.000 1.086 742 T CA -0.517 61.766 62.100 0.305 0.000 0.998 742 T CB 0.594 69.629 68.868 0.277 0.000 1.281 742 T HN 0.675 nan 8.240 nan 0.000 0.525 743 S N -1.721 114.025 115.700 0.076 0.000 2.718 743 S HA 0.076 4.546 4.470 -0.000 0.000 0.271 743 S C 0.314 174.877 174.600 -0.061 0.000 0.999 743 S CA -0.379 57.821 58.200 -0.001 0.000 0.899 743 S CB 0.072 63.266 63.200 -0.011 0.000 1.148 743 S HN 0.741 nan 8.310 nan 0.000 0.463 744 E N 1.291 121.458 120.200 -0.055 0.000 2.076 744 E HA 0.039 4.389 4.350 -0.000 0.000 0.190 744 E C 1.350 177.878 176.600 -0.119 0.000 0.979 744 E CA 0.758 57.115 56.400 -0.072 0.000 0.807 744 E CB -0.125 29.549 29.700 -0.043 0.000 0.761 744 E HN 0.617 nan 8.360 nan 0.000 0.454 745 M N 1.233 120.773 119.600 -0.099 0.000 2.568 745 M HA 0.064 4.544 4.480 -0.000 0.000 0.226 745 M C -0.727 175.494 176.300 -0.132 0.000 1.148 745 M CA 0.349 55.590 55.300 -0.098 0.000 1.007 745 M CB -0.180 32.392 32.600 -0.047 0.000 1.651 745 M HN 0.177 nan 8.290 nan 0.000 0.488 746 D N -1.794 118.464 120.400 -0.236 0.000 3.242 746 D HA 0.252 4.892 4.640 -0.000 0.000 0.357 746 D C -1.255 174.796 176.300 -0.416 0.000 1.486 746 D CA -0.741 53.095 54.000 -0.273 0.000 0.817 746 D CB 0.644 41.424 40.800 -0.033 0.000 1.424 746 D HN -0.122 nan 8.370 nan 0.000 0.502 747 F N -0.611 119.416 119.950 0.130 0.000 2.588 747 F HA 0.569 5.096 4.527 -0.000 0.000 0.318 747 F C -0.808 175.105 175.800 0.188 0.000 1.155 747 F CA -1.398 56.678 58.000 0.127 0.000 0.967 747 F CB 2.131 41.189 39.000 0.097 0.000 1.236 747 F HN 0.678 nan 8.300 nan 0.000 0.455 748 C N 4.996 124.493 119.300 0.327 0.000 2.379 748 C HA 0.820 5.280 4.460 -0.000 0.000 0.323 748 C C -0.662 174.487 174.990 0.266 0.000 1.262 748 C CA -0.476 58.698 59.018 0.260 0.000 1.581 748 C CB 0.110 27.925 27.740 0.125 0.000 2.221 748 C HN 0.511 nan 8.230 nan 0.000 0.497 749 I N 4.171 124.946 120.570 0.341 0.000 2.493 749 I HA 0.603 4.773 4.170 -0.000 0.000 0.298 749 I C 0.185 176.552 176.117 0.417 0.000 0.998 749 I CA -0.474 61.019 61.300 0.321 0.000 1.137 749 I CB 1.411 39.577 38.000 0.277 0.000 1.310 749 I HN 0.626 nan 8.210 nan 0.000 0.445 750 E N 4.073 124.484 120.200 0.352 0.000 2.383 750 E HA 0.723 5.073 4.350 -0.000 0.000 0.275 750 E C -1.829 174.989 176.600 0.363 0.000 0.918 750 E CA -0.855 55.751 56.400 0.343 0.000 0.764 750 E CB 3.505 33.354 29.700 0.247 0.000 1.252 750 E HN 0.421 nan 8.360 nan 0.000 0.449 751 L N 1.293 122.707 121.223 0.317 0.000 2.847 751 L HA 0.387 4.727 4.340 -0.000 0.000 0.261 751 L C 0.120 177.087 176.870 0.161 0.000 0.926 751 L CA 0.615 55.602 54.840 0.245 0.000 1.010 751 L CB 1.354 43.578 42.059 0.276 0.000 1.538 751 L HN 0.776 nan 8.230 nan 0.000 0.465 752 G N 3.989 112.861 108.800 0.120 0.000 2.634 752 G HA2 -0.431 3.529 3.960 -0.000 0.000 0.309 752 G HA3 -0.431 3.529 3.960 -0.000 0.000 0.309 752 G C 0.602 175.516 174.900 0.022 0.000 1.265 752 G CA 0.770 45.906 45.100 0.060 0.000 0.998 752 G HN 1.265 nan 8.290 nan 0.000 0.551 753 N N 0.928 119.618 118.700 -0.016 0.000 2.446 753 N HA 0.069 4.809 4.740 -0.000 0.000 0.179 753 N C 0.634 176.083 175.510 -0.101 0.000 1.054 753 N CA 1.208 54.225 53.050 -0.055 0.000 0.905 753 N CB -0.001 38.453 38.487 -0.055 0.000 0.973 753 N HN 0.703 nan 8.380 nan 0.000 0.448 754 K N 0.841 121.158 120.400 -0.139 0.000 2.249 754 K HA 0.331 4.651 4.320 -0.000 0.000 0.280 754 K C -0.165 176.219 176.600 -0.361 0.000 1.033 754 K CA -0.231 55.840 56.287 -0.359 0.000 0.946 754 K CB 1.061 33.204 32.500 -0.595 0.000 1.005 754 K HN 0.177 nan 8.250 nan 0.000 0.469 755 R N 2.522 122.772 120.500 -0.418 0.000 2.538 755 R HA 0.346 4.686 4.340 -0.000 0.000 0.292 755 R C -1.114 175.142 176.300 -0.073 0.000 1.008 755 R CA -0.776 55.248 56.100 -0.127 0.000 0.896 755 R CB 1.485 31.710 30.300 -0.125 0.000 1.187 755 R HN 0.506 nan 8.270 nan 0.000 0.440 756 W N 3.342 124.708 121.300 0.111 0.000 2.376 756 W HA 0.291 4.951 4.660 -0.000 0.000 0.312 756 W C 0.058 176.596 176.519 0.032 0.000 1.060 756 W CA -0.520 56.835 57.345 0.016 0.000 1.221 756 W CB 1.860 31.301 29.460 -0.031 0.000 1.281 756 W HN 0.483 nan 8.180 nan 0.000 0.456 757 Q N 2.526 122.425 119.800 0.165 0.000 2.230 757 Q HA 0.386 4.726 4.340 -0.000 0.000 0.253 757 Q C -1.685 174.245 176.000 -0.118 0.000 0.919 757 Q CA -0.340 55.548 55.803 0.142 0.000 0.908 757 Q CB 1.081 29.982 28.738 0.271 0.000 1.245 757 Q HN 0.395 nan 8.270 nan 0.000 0.437 758 F N 3.589 123.620 119.950 0.134 0.000 2.564 758 F HA 0.222 4.749 4.527 -0.000 0.000 0.368 758 F C 0.316 176.110 175.800 -0.009 0.000 1.127 758 F CA -0.898 57.145 58.000 0.073 0.000 1.170 758 F CB 0.861 39.924 39.000 0.105 0.000 1.397 758 F HN 0.572 nan 8.300 nan 0.000 0.493 759 N N 2.582 121.354 118.700 0.120 0.000 2.138 759 N HA -0.101 4.639 4.740 -0.000 0.000 0.271 759 N C 1.000 176.499 175.510 -0.017 0.000 1.272 759 N CA 0.692 53.768 53.050 0.044 0.000 0.819 759 N CB 0.694 39.220 38.487 0.066 0.000 1.052 759 N HN 0.632 nan 8.380 nan 0.000 0.479 760 R N 2.192 122.612 120.500 -0.134 0.000 2.317 760 R HA 0.031 4.371 4.340 -0.000 0.000 0.208 760 R C 0.842 177.063 176.300 -0.132 0.000 0.914 760 R CA 0.515 56.481 56.100 -0.223 0.000 1.060 760 R CB 0.356 30.398 30.300 -0.431 0.000 1.015 760 R HN 0.690 nan 8.270 nan 0.000 0.498 761 Q N -1.212 118.544 119.800 -0.074 0.000 2.378 761 Q HA 0.067 4.407 4.340 -0.000 0.000 0.229 761 Q C 1.737 177.724 176.000 -0.022 0.000 0.882 761 Q CA 0.752 56.526 55.803 -0.048 0.000 0.936 761 Q CB 0.688 29.411 28.738 -0.026 0.000 1.092 761 Q HN 0.110 nan 8.270 nan 0.000 0.535 762 S N -0.065 115.640 115.700 0.009 0.000 2.460 762 S HA 0.260 4.730 4.470 -0.000 0.000 0.226 762 S C 1.633 176.125 174.600 -0.179 0.000 1.057 762 S CA 0.571 58.811 58.200 0.066 0.000 0.948 762 S CB 0.087 63.440 63.200 0.254 0.000 0.822 762 S HN 0.506 nan 8.310 nan 0.000 0.512 763 G N 0.725 109.431 108.800 -0.156 0.000 2.149 763 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.235 763 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.235 763 G C -0.279 174.428 174.900 -0.321 0.000 1.018 763 G CA 0.194 45.144 45.100 -0.249 0.000 0.728 763 G HN 0.482 nan 8.290 nan 0.000 0.508 764 F N -1.252 118.875 119.950 0.294 0.000 2.577 764 F HA 0.687 5.214 4.527 -0.000 0.000 0.318 764 F C 0.349 176.253 175.800 0.174 0.000 1.065 764 F CA -1.716 56.450 58.000 0.277 0.000 0.929 764 F CB 1.256 40.365 39.000 0.181 0.000 1.237 764 F HN 0.016 nan 8.300 nan 0.000 0.468 765 L N 1.815 123.222 121.223 0.306 0.000 2.667 765 L HA 0.042 4.382 4.340 -0.000 0.000 0.278 765 L C 0.815 177.656 176.870 -0.049 0.000 1.217 765 L CA 0.922 55.634 54.840 -0.214 0.000 0.935 765 L CB -0.005 42.026 42.059 -0.047 0.000 1.193 765 L HN 0.709 nan 8.230 nan 0.000 0.493 766 S N 2.413 118.024 115.700 -0.149 0.000 2.483 766 S HA 0.153 4.623 4.470 -0.000 0.000 0.221 766 S C 0.226 174.754 174.600 -0.120 0.000 1.030 766 S CA 0.563 58.735 58.200 -0.046 0.000 0.925 766 S CB 0.154 63.372 63.200 0.030 0.000 0.795 766 S HN 0.797 nan 8.310 nan 0.000 0.511 767 Q N -0.225 119.447 119.800 -0.213 0.000 3.011 767 Q HA 0.462 4.802 4.340 -0.000 0.000 0.299 767 Q C -1.929 173.788 176.000 -0.471 0.000 0.891 767 Q CA -0.568 55.008 55.803 -0.378 0.000 0.792 767 Q CB 0.698 29.140 28.738 -0.492 0.000 1.601 767 Q HN 0.102 nan 8.270 nan 0.000 0.462 768 M N 1.858 121.030 119.600 -0.714 0.000 2.365 768 M HA 0.430 4.910 4.480 -0.000 0.000 0.288 768 M C -1.986 173.919 176.300 -0.658 0.000 1.152 768 M CA -0.115 54.850 55.300 -0.559 0.000 0.948 768 M CB 1.307 33.583 32.600 -0.540 0.000 1.729 768 M HN 0.836 nan 8.290 nan 0.000 0.487 769 W N 4.324 125.389 121.300 -0.392 0.000 2.492 769 W HA 0.680 5.340 4.660 -0.000 0.000 0.373 769 W C -0.322 175.956 176.519 -0.403 0.000 1.323 769 W CA -0.778 56.378 57.345 -0.315 0.000 1.406 769 W CB 1.325 30.643 29.460 -0.237 0.000 1.398 769 W HN 0.545 nan 8.180 nan 0.000 0.671 770 I N 1.890 122.454 120.570 -0.010 0.000 2.678 770 I HA 0.239 4.409 4.170 -0.000 0.000 0.269 770 I C 0.436 176.544 176.117 -0.016 0.000 1.323 770 I CA 0.085 61.325 61.300 -0.100 0.000 0.982 770 I CB 0.689 38.598 38.000 -0.152 0.000 1.321 770 I HN 0.739 nan 8.210 nan 0.000 0.519 771 G N 4.363 113.166 108.800 0.004 0.000 2.520 771 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.248 771 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.248 771 G C 0.333 175.278 174.900 0.074 0.000 1.161 771 G CA 0.544 45.645 45.100 0.002 0.000 0.946 771 G HN 0.526 nan 8.290 nan 0.000 0.565 772 D N 1.488 121.930 120.400 0.069 0.000 2.194 772 D HA 0.076 4.716 4.640 -0.000 0.000 0.204 772 D C 1.130 177.572 176.300 0.238 0.000 0.964 772 D CA 1.408 55.473 54.000 0.108 0.000 0.846 772 D CB -0.297 40.525 40.800 0.035 0.000 0.962 772 D HN 0.845 nan 8.370 nan 0.000 0.490 773 K N 1.540 122.021 120.400 0.135 0.000 2.368 773 K HA 0.248 4.568 4.320 -0.000 0.000 0.282 773 K C -0.045 176.508 176.600 -0.078 0.000 1.035 773 K CA -0.155 56.152 56.287 0.033 0.000 0.973 773 K CB 0.849 33.335 32.500 -0.024 0.000 0.957 773 K HN 0.003 nan 8.250 nan 0.000 0.474 774 K N 2.195 122.427 120.400 -0.279 0.000 2.118 774 K HA 0.086 4.406 4.320 -0.000 0.000 0.267 774 K C 0.664 177.021 176.600 -0.405 0.000 0.991 774 K CA -0.751 55.139 56.287 -0.661 0.000 0.916 774 K CB 0.971 33.077 32.500 -0.657 0.000 1.041 774 K HN 0.444 nan 8.250 nan 0.000 0.455 775 Q N 0.828 120.373 119.800 -0.425 0.000 2.402 775 Q HA 0.155 4.495 4.340 -0.000 0.000 0.231 775 Q C 0.217 176.108 176.000 -0.181 0.000 0.888 775 Q CA 0.571 56.246 55.803 -0.213 0.000 0.938 775 Q CB 0.064 28.765 28.738 -0.061 0.000 1.086 775 Q HN 0.531 nan 8.270 nan 0.000 0.543 776 L N -1.038 120.038 121.223 -0.245 0.000 2.346 776 L HA 0.474 4.814 4.340 -0.000 0.000 0.276 776 L C 0.723 177.463 176.870 -0.217 0.000 1.006 776 L CA -0.578 54.149 54.840 -0.188 0.000 0.817 776 L CB 1.174 43.168 42.059 -0.108 0.000 1.272 776 L HN -0.225 nan 8.230 nan 0.000 0.421 777 L N 0.298 121.384 121.223 -0.228 0.000 2.492 777 L HA 0.237 4.577 4.340 -0.000 0.000 0.223 777 L C 0.148 176.889 176.870 -0.215 0.000 1.132 777 L CA 0.646 55.346 54.840 -0.232 0.000 0.850 777 L CB -0.241 41.653 42.059 -0.276 0.000 0.966 777 L HN 0.771 nan 8.230 nan 0.000 0.454 778 T N -0.657 113.771 114.554 -0.210 0.000 2.956 778 T HA 0.380 4.730 4.350 -0.000 0.000 0.312 778 T C -2.704 171.953 174.700 -0.072 0.000 1.151 778 T CA -1.186 60.829 62.100 -0.142 0.000 1.024 778 T CB 2.503 71.261 68.868 -0.182 0.000 1.140 778 T HN -0.297 nan 8.240 nan 0.000 0.473 779 P HA 0.231 nan 4.420 nan 0.000 0.270 779 P C -0.643 176.674 177.300 0.028 0.000 1.223 779 P CA -0.711 62.398 63.100 0.015 0.000 0.785 779 P CB 0.533 32.271 31.700 0.064 0.000 0.923 780 L N 2.998 124.288 121.223 0.113 0.000 2.283 780 L HA 0.283 4.623 4.340 -0.000 0.000 0.287 780 L C 0.584 177.499 176.870 0.076 0.000 1.073 780 L CA 0.220 55.159 54.840 0.166 0.000 0.822 780 L CB -0.441 41.823 42.059 0.342 0.000 1.186 780 L HN 0.400 nan 8.230 nan 0.000 0.436 781 R N 2.075 122.520 120.500 -0.092 0.000 2.867 781 R HA 0.574 4.914 4.340 -0.000 0.000 0.268 781 R C -1.080 175.103 176.300 -0.195 0.000 1.014 781 R CA -1.060 54.856 56.100 -0.307 0.000 0.946 781 R CB 0.736 30.498 30.300 -0.896 0.000 1.208 781 R HN 0.295 nan 8.270 nan 0.000 0.477 782 D N 1.563 121.840 120.400 -0.205 0.000 2.487 782 D HA -0.043 4.597 4.640 -0.000 0.000 0.243 782 D C -0.711 175.141 176.300 -0.746 0.000 1.154 782 D CA 0.839 54.591 54.000 -0.414 0.000 0.876 782 D CB 1.035 41.551 40.800 -0.475 0.000 1.161 782 D HN 0.363 nan 8.370 nan 0.000 0.478 783 Q N 2.189 121.523 119.800 -0.775 0.000 2.325 783 Q HA 0.243 4.583 4.340 -0.000 0.000 0.270 783 Q C -0.690 174.821 176.000 -0.815 0.000 1.020 783 Q CA -0.594 54.770 55.803 -0.731 0.000 0.785 783 Q CB 0.738 29.236 28.738 -0.400 0.000 1.259 783 Q HN 0.266 nan 8.270 nan 0.000 0.452 784 F N 1.254 120.829 119.950 -0.624 0.000 2.661 784 F HA 0.232 4.759 4.527 -0.000 0.000 0.306 784 F C 0.487 175.893 175.800 -0.657 0.000 1.094 784 F CA 0.059 57.604 58.000 -0.760 0.000 1.254 784 F CB 0.825 39.102 39.000 -1.204 0.000 1.040 784 F HN 0.515 nan 8.300 nan 0.000 0.562 785 T N -1.474 112.824 114.554 -0.426 0.000 2.731 785 T HA 0.732 5.082 4.350 -0.000 0.000 0.300 785 T C -0.743 173.753 174.700 -0.340 0.000 1.283 785 T CA -1.043 60.763 62.100 -0.490 0.000 1.005 785 T CB 3.244 71.738 68.868 -0.623 0.000 1.420 785 T HN 0.223 nan 8.240 nan 0.000 0.503 786 R N -0.179 120.158 120.500 -0.271 0.000 2.817 786 R HA 0.788 5.128 4.340 -0.000 0.000 0.268 786 R C -1.056 175.286 176.300 0.069 0.000 1.027 786 R CA -1.059 54.987 56.100 -0.089 0.000 0.928 786 R CB 1.384 31.663 30.300 -0.036 0.000 1.228 786 R HN 0.916 nan 8.270 nan 0.000 0.469 787 A N 2.718 125.571 122.820 0.056 0.000 2.545 787 A HA 0.316 4.636 4.320 -0.000 0.000 0.297 787 A C -2.040 175.607 177.584 0.104 0.000 1.340 787 A CA -1.488 50.586 52.037 0.061 0.000 1.016 787 A CB -0.598 18.394 19.000 -0.014 0.000 1.122 787 A HN 0.486 nan 8.150 nan 0.000 0.537 788 P HA -0.032 nan 4.420 nan 0.000 0.261 788 P C -0.358 177.041 177.300 0.164 0.000 1.158 788 P CA 0.730 63.973 63.100 0.239 0.000 0.758 788 P CB 0.167 32.032 31.700 0.276 0.000 0.763 789 L N 2.936 124.222 121.223 0.105 0.000 2.456 789 L HA 0.187 4.527 4.340 -0.000 0.000 0.257 789 L C 1.933 178.759 176.870 -0.074 0.000 1.162 789 L CA -0.289 54.539 54.840 -0.021 0.000 0.808 789 L CB 0.026 42.020 42.059 -0.108 0.000 1.136 789 L HN 0.283 nan 8.230 nan 0.000 0.466 790 D N 0.571 120.842 120.400 -0.215 0.000 2.127 790 D HA -0.204 4.436 4.640 -0.000 0.000 0.190 790 D C 1.539 177.718 176.300 -0.202 0.000 1.000 790 D CA 1.729 55.528 54.000 -0.335 0.000 0.839 790 D CB -0.066 40.470 40.800 -0.440 0.000 0.955 790 D HN 0.529 nan 8.370 nan 0.000 0.446 791 N N 1.166 119.772 118.700 -0.156 0.000 2.348 791 N HA -0.122 4.618 4.740 -0.000 0.000 0.185 791 N C 1.158 176.659 175.510 -0.015 0.000 1.019 791 N CA 0.787 53.781 53.050 -0.093 0.000 0.880 791 N CB -0.181 38.240 38.487 -0.110 0.000 0.965 791 N HN 0.378 nan 8.380 nan 0.000 0.437 792 D N 0.417 120.823 120.400 0.010 0.000 2.162 792 D HA 0.054 4.694 4.640 -0.000 0.000 0.205 792 D C 2.103 178.448 176.300 0.075 0.000 0.964 792 D CA 0.404 54.462 54.000 0.097 0.000 0.847 792 D CB 0.070 40.993 40.800 0.206 0.000 0.988 792 D HN 0.291 nan 8.370 nan 0.000 0.480 793 I N 0.614 121.204 120.570 0.034 0.000 2.193 793 I HA 0.014 4.184 4.170 -0.000 0.000 0.240 793 I C 2.106 178.230 176.117 0.011 0.000 1.084 793 I CA 1.120 62.429 61.300 0.016 0.000 1.365 793 I CB -0.608 37.365 38.000 -0.046 0.000 1.064 793 I HN 0.129 nan 8.210 nan 0.000 0.410 794 G N 0.906 109.706 108.800 -0.001 0.000 2.779 794 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.284 794 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.284 794 G C 0.652 175.711 174.900 0.264 0.000 1.326 794 G CA 0.998 46.160 45.100 0.103 0.000 0.983 794 G HN 0.791 nan 8.290 nan 0.000 0.555 795 V N -2.367 117.678 119.914 0.219 0.000 3.276 795 V HA 0.691 4.811 4.120 -0.000 0.000 0.319 795 V C 0.752 176.911 176.094 0.108 0.000 1.476 795 V CA 1.030 63.471 62.300 0.235 0.000 1.097 795 V CB 0.257 32.163 31.823 0.139 0.000 0.988 795 V HN 1.558 nan 8.190 nan 0.000 0.473 796 S N 1.315 117.058 115.700 0.072 0.000 2.564 796 S HA 0.441 4.911 4.470 -0.000 0.000 0.278 796 S C -0.141 174.489 174.600 0.051 0.000 1.333 796 S CA 0.096 58.322 58.200 0.043 0.000 1.048 796 S CB 0.714 63.928 63.200 0.024 0.000 0.900 796 S HN 0.684 nan 8.310 nan 0.000 0.505 797 E N 1.371 121.598 120.200 0.045 0.000 2.359 797 E HA 0.526 4.876 4.350 -0.000 0.000 0.266 797 E C 0.784 177.412 176.600 0.048 0.000 0.920 797 E CA -0.625 55.806 56.400 0.052 0.000 0.788 797 E CB 1.671 31.404 29.700 0.054 0.000 1.279 797 E HN 0.671 nan 8.360 nan 0.000 0.438 798 A N 0.688 123.542 122.820 0.056 0.000 1.917 798 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 798 A C 1.885 179.496 177.584 0.045 0.000 1.182 798 A CA 2.679 54.747 52.037 0.053 0.000 0.633 798 A CB -0.757 18.281 19.000 0.062 0.000 0.819 798 A HN 0.667 nan 8.150 nan 0.000 0.448 799 T N -2.545 112.036 114.554 0.045 0.000 2.983 799 T HA 0.170 4.520 4.350 -0.000 0.000 0.250 799 T C 1.037 175.754 174.700 0.029 0.000 1.037 799 T CA 0.483 62.605 62.100 0.037 0.000 1.142 799 T CB 0.025 68.917 68.868 0.040 0.000 0.876 799 T HN 0.341 nan 8.240 nan 0.000 0.455 800 R N 0.782 121.299 120.500 0.029 0.000 2.396 800 R HA 0.521 4.861 4.340 -0.000 0.000 0.292 800 R C -1.179 175.132 176.300 0.018 0.000 1.240 800 R CA -0.310 55.800 56.100 0.018 0.000 1.270 800 R CB 0.349 30.655 30.300 0.009 0.000 1.108 800 R HN 0.307 nan 8.270 nan 0.000 0.573 801 I N 1.856 122.436 120.570 0.016 0.000 2.452 801 I HA -0.037 4.133 4.170 -0.000 0.000 0.287 801 I C 0.226 176.342 176.117 -0.001 0.000 1.079 801 I CA 0.204 61.511 61.300 0.013 0.000 1.387 801 I CB 0.629 38.639 38.000 0.018 0.000 1.404 801 I HN 0.359 nan 8.210 nan 0.000 0.522 802 D N 9.969 130.365 120.400 -0.006 0.000 2.456 802 D HA 0.216 4.856 4.640 -0.000 0.000 0.219 802 D C -1.689 174.581 176.300 -0.050 0.000 1.126 802 D CA -2.409 51.575 54.000 -0.025 0.000 0.890 802 D CB 1.203 41.992 40.800 -0.019 0.000 1.025 802 D HN 0.175 nan 8.370 nan 0.000 0.511 803 P HA -0.107 nan 4.420 nan 0.000 0.222 803 P C 0.394 177.614 177.300 -0.133 0.000 1.142 803 P CA 0.973 64.029 63.100 -0.073 0.000 0.788 803 P CB 0.230 31.895 31.700 -0.059 0.000 0.767 804 N N -1.180 117.428 118.700 -0.153 0.000 2.236 804 N HA 0.150 4.890 4.740 -0.000 0.000 0.196 804 N C 0.613 175.938 175.510 -0.308 0.000 1.114 804 N CA -0.120 52.785 53.050 -0.243 0.000 0.859 804 N CB 0.358 38.723 38.487 -0.203 0.000 0.982 804 N HN 0.066 nan 8.380 nan 0.000 0.493 805 A N 0.481 123.180 122.820 -0.201 0.000 2.483 805 A HA 0.012 4.332 4.320 -0.000 0.000 0.238 805 A C 0.743 178.152 177.584 -0.292 0.000 1.070 805 A CA -0.203 51.728 52.037 -0.176 0.000 0.770 805 A CB 0.160 19.122 19.000 -0.064 0.000 1.008 805 A HN 0.358 nan 8.150 nan 0.000 0.497 806 W N 1.603 122.665 121.300 -0.397 0.000 2.354 806 W HA -0.145 4.515 4.660 -0.000 0.000 0.315 806 W C 2.255 178.250 176.519 -0.873 0.000 1.206 806 W CA 1.611 58.466 57.345 -0.818 0.000 1.290 806 W CB -0.346 28.545 29.460 -0.948 0.000 1.152 806 W HN 0.539 nan 8.180 nan 0.000 0.489 807 V N 1.022 120.881 119.914 -0.092 0.000 2.250 807 V HA -0.374 3.746 4.120 -0.000 0.000 0.250 807 V C 2.325 178.531 176.094 0.186 0.000 1.060 807 V CA 2.327 64.784 62.300 0.263 0.000 1.030 807 V CB -0.613 31.365 31.823 0.258 0.000 0.643 807 V HN 0.155 nan 8.190 nan 0.000 0.445 808 E N -0.125 120.096 120.200 0.035 0.000 2.097 808 E HA -0.253 4.097 4.350 -0.000 0.000 0.196 808 E C 2.263 178.870 176.600 0.012 0.000 1.000 808 E CA 1.705 58.121 56.400 0.027 0.000 0.804 808 E CB -0.423 29.265 29.700 -0.019 0.000 0.740 808 E HN 0.673 nan 8.360 nan 0.000 0.454 809 R N -0.247 120.180 120.500 -0.121 0.000 2.075 809 R HA -0.125 4.215 4.340 -0.000 0.000 0.232 809 R C 2.325 178.632 176.300 0.012 0.000 1.126 809 R CA 1.150 57.171 56.100 -0.132 0.000 0.963 809 R CB -0.365 29.756 30.300 -0.298 0.000 0.858 809 R HN 0.222 nan 8.270 nan 0.000 0.435 810 W N 2.116 123.397 121.300 -0.033 0.000 2.309 810 W HA -0.111 4.549 4.660 -0.000 0.000 0.326 810 W C 2.212 178.737 176.519 0.009 0.000 1.222 810 W CA 0.566 57.793 57.345 -0.197 0.000 1.237 810 W CB -1.169 28.276 29.460 -0.025 0.000 1.180 810 W HN 0.048 nan 8.180 nan 0.000 0.456 811 K N 0.065 120.763 120.400 0.498 0.000 1.988 811 K HA -0.282 4.038 4.320 -0.000 0.000 0.231 811 K C 2.056 178.791 176.600 0.226 0.000 1.044 811 K CA 2.721 59.243 56.287 0.392 0.000 1.013 811 K CB -1.189 31.475 32.500 0.274 0.000 0.736 811 K HN 0.084 nan 8.250 nan 0.000 0.446 812 A N 0.821 123.731 122.820 0.151 0.000 2.117 812 A HA -0.277 4.043 4.320 -0.000 0.000 0.224 812 A C 2.208 179.819 177.584 0.044 0.000 1.167 812 A CA 2.335 54.424 52.037 0.086 0.000 0.664 812 A CB -0.820 18.213 19.000 0.055 0.000 0.811 812 A HN 0.524 nan 8.150 nan 0.000 0.470 813 A N -2.720 120.147 122.820 0.079 0.000 1.935 813 A HA 0.396 4.716 4.320 -0.000 0.000 0.214 813 A C 2.121 179.656 177.584 -0.081 0.000 1.178 813 A CA 1.538 53.627 52.037 0.087 0.000 0.640 813 A CB -0.527 18.619 19.000 0.244 0.000 0.825 813 A HN 1.883 nan 8.150 nan 0.000 0.447 814 G N -2.564 106.254 108.800 0.029 0.000 2.255 814 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.196 814 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.196 814 G C 0.743 175.826 174.900 0.305 0.000 0.998 814 G CA 0.593 45.659 45.100 -0.055 0.000 0.656 814 G HN 0.619 nan 8.290 nan 0.000 0.490 815 H N -0.568 118.565 119.070 0.105 0.000 2.312 815 H HA -0.321 4.235 4.556 -0.000 0.000 0.285 815 H C 2.236 177.575 175.328 0.019 0.000 1.120 815 H CA 2.220 58.304 56.048 0.061 0.000 1.179 815 H CB -0.182 29.478 29.762 -0.169 0.000 1.349 815 H HN 0.536 nan 8.280 nan 0.000 0.473 816 Y N 1.058 121.529 120.300 0.284 0.000 2.274 816 Y HA -0.160 4.390 4.550 -0.000 0.000 0.290 816 Y C 1.553 177.582 175.900 0.213 0.000 1.145 816 Y CA 1.267 59.483 58.100 0.193 0.000 1.203 816 Y CB 0.043 38.600 38.460 0.160 0.000 0.984 816 Y HN 0.418 nan 8.280 nan 0.000 0.533 817 Q N -0.260 119.791 119.800 0.419 0.000 2.628 817 Q HA 0.622 4.962 4.340 -0.000 0.000 0.397 817 Q C -0.640 175.612 176.000 0.421 0.000 0.916 817 Q CA -0.344 55.680 55.803 0.369 0.000 1.071 817 Q CB 0.793 29.725 28.738 0.324 0.000 1.367 817 Q HN 0.139 nan 8.270 nan 0.000 0.404 818 A N 1.771 124.850 122.820 0.431 0.000 2.260 818 A HA 0.368 4.688 4.320 -0.000 0.000 0.308 818 A C -0.222 177.651 177.584 0.481 0.000 1.254 818 A CA -0.692 51.651 52.037 0.509 0.000 0.874 818 A CB 0.461 19.848 19.000 0.645 0.000 1.153 818 A HN 0.455 nan 8.150 nan 0.000 0.527 819 E N 2.367 122.746 120.200 0.299 0.000 2.194 819 E HA 0.430 4.780 4.350 -0.000 0.000 0.284 819 E C -0.161 176.408 176.600 -0.052 0.000 1.035 819 E CA -0.434 56.047 56.400 0.136 0.000 0.836 819 E CB 1.335 31.078 29.700 0.071 0.000 1.070 819 E HN 0.623 nan 8.360 nan 0.000 0.401 820 A N 3.068 125.746 122.820 -0.237 0.000 2.444 820 A HA 0.408 4.728 4.320 -0.000 0.000 0.287 820 A C 0.133 177.555 177.584 -0.271 0.000 1.195 820 A CA -0.279 51.348 52.037 -0.683 0.000 0.858 820 A CB -0.061 18.674 19.000 -0.442 0.000 1.117 820 A HN 0.657 nan 8.150 nan 0.000 0.521 821 A N 3.217 125.873 122.820 -0.272 0.000 2.276 821 A HA 0.577 4.897 4.320 -0.000 0.000 0.316 821 A C -0.230 177.294 177.584 -0.100 0.000 1.229 821 A CA -0.548 51.423 52.037 -0.109 0.000 0.851 821 A CB 0.346 19.306 19.000 -0.067 0.000 1.165 821 A HN 1.264 nan 8.150 nan 0.000 0.513 822 L N 2.867 124.029 121.223 -0.102 0.000 2.349 822 L HA 0.518 4.858 4.340 -0.000 0.000 0.275 822 L C -0.012 176.755 176.870 -0.171 0.000 1.115 822 L CA 0.250 54.947 54.840 -0.238 0.000 0.820 822 L CB 0.657 42.556 42.059 -0.266 0.000 1.135 822 L HN 0.669 nan 8.230 nan 0.000 0.445 823 L N 3.319 124.425 121.223 -0.195 0.000 2.993 823 L HA 0.452 4.792 4.340 -0.000 0.000 0.264 823 L C 0.001 176.812 176.870 -0.098 0.000 1.154 823 L CA 0.024 54.802 54.840 -0.104 0.000 0.972 823 L CB 0.078 42.103 42.059 -0.057 0.000 1.373 823 L HN 0.722 nan 8.230 nan 0.000 0.564 824 Q N 0.320 120.030 119.800 -0.151 0.000 2.857 824 Q HA 0.182 4.522 4.340 -0.000 0.000 0.214 824 Q C -2.161 173.764 176.000 -0.125 0.000 0.912 824 Q CA -0.159 55.580 55.803 -0.106 0.000 1.183 824 Q CB 1.809 30.510 28.738 -0.063 0.000 1.689 824 Q HN 0.119 nan 8.270 nan 0.000 0.565 825 C N 3.594 122.849 119.300 -0.076 0.000 2.369 825 C HA 0.958 5.418 4.460 -0.000 0.000 0.322 825 C C -0.332 174.689 174.990 0.051 0.000 1.258 825 C CA 0.349 59.353 59.018 -0.024 0.000 1.487 825 C CB 0.877 28.610 27.740 -0.011 0.000 2.165 825 C HN 0.812 nan 8.230 nan 0.000 0.483 826 T N 2.949 117.503 114.554 -0.001 0.000 2.900 826 T HA 0.836 5.186 4.350 -0.000 0.000 0.303 826 T C -0.670 173.861 174.700 -0.282 0.000 1.142 826 T CA -0.228 61.828 62.100 -0.073 0.000 1.007 826 T CB 1.642 70.466 68.868 -0.072 0.000 1.156 826 T HN 1.555 nan 8.240 nan 0.000 0.490 827 A N 1.794 124.327 122.820 -0.477 0.000 2.384 827 A HA 0.923 5.243 4.320 -0.000 0.000 0.312 827 A C -1.025 176.345 177.584 -0.356 0.000 1.113 827 A CA -0.595 51.069 52.037 -0.621 0.000 0.779 827 A CB 1.327 19.667 19.000 -1.099 0.000 1.307 827 A HN 0.943 nan 8.150 nan 0.000 0.436 828 D N -0.719 119.509 120.400 -0.286 0.000 2.683 828 D HA 0.459 5.099 4.640 -0.000 0.000 0.246 828 D C -1.491 174.716 176.300 -0.155 0.000 1.238 828 D CA -0.066 53.825 54.000 -0.182 0.000 0.759 828 D CB 2.190 42.910 40.800 -0.133 0.000 1.349 828 D HN 0.528 nan 8.370 nan 0.000 0.426 829 T N 0.548 115.032 114.554 -0.115 0.000 2.876 829 T HA 0.644 4.994 4.350 -0.000 0.000 0.289 829 T C -0.435 174.218 174.700 -0.079 0.000 1.014 829 T CA -0.680 61.361 62.100 -0.099 0.000 0.986 829 T CB 1.591 70.408 68.868 -0.085 0.000 1.021 829 T HN 0.072 nan 8.240 nan 0.000 0.458 830 L N 1.265 122.443 121.223 -0.075 0.000 2.304 830 L HA 0.706 5.046 4.340 -0.000 0.000 0.268 830 L C 1.733 178.570 176.870 -0.057 0.000 1.010 830 L CA -0.899 53.904 54.840 -0.061 0.000 0.813 830 L CB 0.340 42.365 42.059 -0.057 0.000 1.315 830 L HN 0.839 nan 8.230 nan 0.000 0.445 831 A N 0.381 123.172 122.820 -0.048 0.000 2.139 831 A HA -0.155 4.165 4.320 -0.000 0.000 0.221 831 A C 0.836 178.389 177.584 -0.051 0.000 1.159 831 A CA 2.052 54.062 52.037 -0.046 0.000 0.662 831 A CB -0.777 18.200 19.000 -0.039 0.000 0.796 831 A HN 0.841 nan 8.150 nan 0.000 0.463 832 D N -3.912 116.457 120.400 -0.053 0.000 2.516 832 D HA 0.533 5.173 4.640 -0.000 0.000 0.241 832 D C 0.137 176.400 176.300 -0.062 0.000 1.246 832 D CA 0.684 54.651 54.000 -0.054 0.000 0.808 832 D CB -0.421 40.354 40.800 -0.042 0.000 1.147 832 D HN 0.603 nan 8.370 nan 0.000 0.527 833 A N -0.580 122.197 122.820 -0.073 0.000 2.438 833 A HA 0.612 4.932 4.320 -0.000 0.000 0.301 833 A C -1.835 175.686 177.584 -0.104 0.000 1.101 833 A CA -0.575 51.409 52.037 -0.089 0.000 0.621 833 A CB 0.742 19.695 19.000 -0.079 0.000 1.350 833 A HN 0.195 nan 8.150 nan 0.000 0.496 834 V N -0.179 119.659 119.914 -0.127 0.000 2.513 834 V HA 0.744 4.864 4.120 -0.000 0.000 0.299 834 V C -0.604 175.403 176.094 -0.146 0.000 1.035 834 V CA -0.459 61.755 62.300 -0.143 0.000 0.889 834 V CB 1.342 33.072 31.823 -0.156 0.000 0.988 834 V HN 0.878 nan 8.190 nan 0.000 0.440 835 L N 5.360 126.491 121.223 -0.154 0.000 2.349 835 L HA 0.644 4.984 4.340 -0.000 0.000 0.278 835 L C -0.871 175.881 176.870 -0.196 0.000 0.996 835 L CA -0.191 54.569 54.840 -0.134 0.000 0.825 835 L CB 1.156 43.156 42.059 -0.099 0.000 1.243 835 L HN 0.478 nan 8.230 nan 0.000 0.412 836 I N 3.314 123.771 120.570 -0.188 0.000 2.460 836 I HA 0.539 4.709 4.170 -0.000 0.000 0.298 836 I C -0.035 176.054 176.117 -0.047 0.000 0.989 836 I CA -0.475 60.655 61.300 -0.284 0.000 1.173 836 I CB 1.506 39.079 38.000 -0.712 0.000 1.338 836 I HN 0.495 nan 8.210 nan 0.000 0.456 837 T N 4.262 118.775 114.554 -0.068 0.000 3.031 837 T HA 0.543 4.893 4.350 -0.000 0.000 0.305 837 T C -0.042 174.669 174.700 0.018 0.000 0.985 837 T CA -0.513 61.600 62.100 0.021 0.000 1.008 837 T CB 1.597 70.454 68.868 -0.018 0.000 1.005 837 T HN 0.791 nan 8.240 nan 0.000 0.444 838 T N 0.307 114.918 114.554 0.096 0.000 2.927 838 T HA 0.933 5.283 4.350 -0.000 0.000 0.286 838 T C -0.718 174.003 174.700 0.034 0.000 1.040 838 T CA -1.239 60.875 62.100 0.024 0.000 1.010 838 T CB 2.085 70.986 68.868 0.056 0.000 1.177 838 T HN 0.783 nan 8.240 nan 0.000 0.546 839 A N 1.278 124.038 122.820 -0.100 0.000 2.512 839 A HA 0.600 4.920 4.320 -0.000 0.000 0.290 839 A C -1.302 176.193 177.584 -0.148 0.000 1.041 839 A CA -0.832 51.201 52.037 -0.005 0.000 0.911 839 A CB 0.141 19.145 19.000 0.007 0.000 1.407 839 A HN 0.927 nan 8.150 nan 0.000 0.398 840 H N 0.673 119.808 119.070 0.109 0.000 2.595 840 H HA 0.851 5.407 4.556 -0.000 0.000 0.346 840 H C 0.242 175.618 175.328 0.080 0.000 1.181 840 H CA 0.098 56.130 56.048 -0.027 0.000 1.242 840 H CB 1.967 31.586 29.762 -0.238 0.000 1.652 840 H HN 1.017 nan 8.280 nan 0.000 0.548 841 A N 1.531 124.382 122.820 0.052 0.000 2.499 841 A HA 0.227 4.547 4.320 -0.000 0.000 0.280 841 A C -1.334 176.338 177.584 0.146 0.000 1.135 841 A CA -0.719 51.441 52.037 0.205 0.000 0.744 841 A CB 0.679 19.750 19.000 0.120 0.000 1.213 841 A HN 0.565 nan 8.150 nan 0.000 0.434 842 W N 2.272 123.778 121.300 0.342 0.000 2.304 842 W HA 0.299 4.959 4.660 -0.000 0.000 0.313 842 W C 0.332 176.938 176.519 0.146 0.000 1.323 842 W CA 0.250 57.796 57.345 0.335 0.000 1.223 842 W CB 0.947 30.799 29.460 0.653 0.000 1.237 842 W HN 0.744 nan 8.180 nan 0.000 0.535 843 Q N 0.387 120.361 119.800 0.290 0.000 2.572 843 Q HA 0.452 4.792 4.340 -0.000 0.000 0.284 843 Q C -0.892 175.276 176.000 0.280 0.000 1.091 843 Q CA -0.684 55.241 55.803 0.202 0.000 0.840 843 Q CB 2.796 31.602 28.738 0.114 0.000 1.433 843 Q HN 0.381 nan 8.270 nan 0.000 0.471 844 H N 0.601 119.725 119.070 0.090 0.000 3.069 844 H HA 0.005 4.561 4.556 -0.000 0.000 0.294 844 H C -1.281 174.090 175.328 0.071 0.000 1.144 844 H CA -0.030 56.076 56.048 0.096 0.000 1.579 844 H CB 0.721 30.554 29.762 0.118 0.000 2.174 844 H HN 0.823 nan 8.280 nan 0.000 0.456 845 Q N 2.766 122.568 119.800 0.003 0.000 2.378 845 Q HA -0.275 4.065 4.340 -0.000 0.000 0.296 845 Q C 1.059 177.127 176.000 0.114 0.000 1.209 845 Q CA 1.776 57.639 55.803 0.100 0.000 0.910 845 Q CB -1.263 27.626 28.738 0.252 0.000 1.240 845 Q HN 1.121 nan 8.270 nan 0.000 0.499 846 G N -0.784 108.065 108.800 0.082 0.000 2.199 846 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.254 846 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.254 846 G C -0.005 174.936 174.900 0.068 0.000 0.982 846 G CA 0.397 45.536 45.100 0.065 0.000 0.632 846 G HN 0.337 nan 8.290 nan 0.000 0.529 847 K N 1.525 121.981 120.400 0.093 0.000 2.159 847 K HA 0.655 4.975 4.320 -0.000 0.000 0.266 847 K C 0.044 176.668 176.600 0.041 0.000 0.975 847 K CA -0.070 56.254 56.287 0.061 0.000 0.865 847 K CB 0.991 33.522 32.500 0.051 0.000 1.087 847 K HN 0.035 nan 8.250 nan 0.000 0.446 848 T N 5.883 120.439 114.554 0.005 0.000 2.794 848 T HA 0.214 4.564 4.350 -0.000 0.000 0.304 848 T C 1.240 175.845 174.700 -0.158 0.000 0.973 848 T CA -0.605 61.487 62.100 -0.013 0.000 0.972 848 T CB 0.236 69.118 68.868 0.025 0.000 0.952 848 T HN 0.454 nan 8.240 nan 0.000 0.509 849 L N 1.768 122.771 121.223 -0.367 0.000 1.993 849 L HA 0.150 4.490 4.340 -0.000 0.000 0.206 849 L C 0.391 176.585 176.870 -1.127 0.000 1.074 849 L CA 1.611 55.814 54.840 -1.061 0.000 0.746 849 L CB -0.303 40.441 42.059 -2.191 0.000 0.896 849 L HN 0.508 nan 8.230 nan 0.000 0.435 850 F N -1.676 118.313 119.950 0.064 0.000 2.740 850 F HA 0.620 5.147 4.527 -0.000 0.000 0.357 850 F C -0.167 175.831 175.800 0.330 0.000 1.141 850 F CA -0.971 57.058 58.000 0.049 0.000 1.044 850 F CB 1.366 40.166 39.000 -0.333 0.000 1.430 850 F HN -0.298 nan 8.300 nan 0.000 0.518 851 I N 1.052 121.966 120.570 0.572 0.000 2.608 851 I HA 0.131 4.301 4.170 -0.000 0.000 0.280 851 I C -0.953 175.494 176.117 0.551 0.000 1.186 851 I CA -0.169 61.446 61.300 0.525 0.000 1.081 851 I CB 1.738 39.918 38.000 0.299 0.000 1.272 851 I HN 0.559 nan 8.210 nan 0.000 0.460 852 S N 5.825 122.011 115.700 0.811 0.000 2.586 852 S HA 0.606 5.076 4.470 -0.000 0.000 0.274 852 S C -0.270 174.606 174.600 0.459 0.000 1.281 852 S CA -0.301 58.294 58.200 0.660 0.000 1.035 852 S CB 0.880 64.557 63.200 0.795 0.000 0.962 852 S HN 0.595 nan 8.310 nan 0.000 0.512 853 R N 2.837 123.527 120.500 0.318 0.000 2.713 853 R HA 0.270 4.610 4.340 -0.000 0.000 0.282 853 R C -1.014 175.376 176.300 0.150 0.000 1.472 853 R CA -0.503 55.729 56.100 0.220 0.000 1.060 853 R CB 1.379 31.776 30.300 0.162 0.000 1.237 853 R HN 0.640 nan 8.270 nan 0.000 0.484 854 K N 0.560 121.062 120.400 0.169 0.000 2.280 854 K HA 0.628 4.948 4.320 -0.000 0.000 0.234 854 K C -0.137 176.492 176.600 0.048 0.000 1.028 854 K CA -0.916 55.389 56.287 0.031 0.000 0.882 854 K CB 1.886 34.336 32.500 -0.083 0.000 1.194 854 K HN 0.358 nan 8.250 nan 0.000 0.458 855 T N -1.524 112.962 114.554 -0.114 0.000 2.909 855 T HA 0.554 4.904 4.350 -0.000 0.000 0.299 855 T C -1.525 173.126 174.700 -0.082 0.000 1.073 855 T CA -0.783 61.326 62.100 0.015 0.000 0.999 855 T CB 0.651 69.519 68.868 0.001 0.000 1.098 855 T HN 0.461 nan 8.240 nan 0.000 0.477 856 Y N 0.412 120.676 120.300 -0.060 0.000 2.406 856 Y HA 0.712 5.262 4.550 -0.000 0.000 0.340 856 Y C 0.133 175.969 175.900 -0.106 0.000 0.975 856 Y CA -1.499 56.574 58.100 -0.045 0.000 1.056 856 Y CB 1.997 40.468 38.460 0.017 0.000 1.210 856 Y HN 0.892 nan 8.280 nan 0.000 0.448 857 R N 4.262 124.797 120.500 0.059 0.000 2.412 857 R HA 0.607 4.947 4.340 -0.000 0.000 0.304 857 R C -1.687 174.565 176.300 -0.079 0.000 1.066 857 R CA -0.224 55.859 56.100 -0.028 0.000 0.923 857 R CB 0.354 30.642 30.300 -0.021 0.000 1.156 857 R HN 0.746 nan 8.270 nan 0.000 0.513 858 I N 4.084 124.551 120.570 -0.171 0.000 2.396 858 I HA 0.302 4.472 4.170 -0.000 0.000 0.292 858 I C -0.252 175.747 176.117 -0.196 0.000 0.999 858 I CA -0.700 60.427 61.300 -0.290 0.000 1.310 858 I CB 1.325 38.974 38.000 -0.584 0.000 1.404 858 I HN 0.672 nan 8.210 nan 0.000 0.496 859 D N 3.366 123.677 120.400 -0.149 0.000 2.585 859 D HA 0.321 4.961 4.640 -0.000 0.000 0.254 859 D C 1.093 177.364 176.300 -0.049 0.000 1.067 859 D CA -0.713 53.238 54.000 -0.082 0.000 1.090 859 D CB 0.765 41.540 40.800 -0.041 0.000 1.408 859 D HN 0.514 nan 8.370 nan 0.000 0.554 860 G N -0.882 107.904 108.800 -0.023 0.000 2.499 860 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.221 860 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.221 860 G C 1.041 175.964 174.900 0.039 0.000 1.109 860 G CA 1.244 46.349 45.100 0.009 0.000 0.749 860 G HN 0.536 nan 8.290 nan 0.000 0.568 861 S N -0.625 115.096 115.700 0.035 0.000 2.575 861 S HA 0.379 4.849 4.470 -0.000 0.000 0.215 861 S C 1.713 176.350 174.600 0.061 0.000 0.966 861 S CA 0.724 58.953 58.200 0.049 0.000 0.911 861 S CB 0.093 63.319 63.200 0.045 0.000 0.780 861 S HN 1.416 nan 8.310 nan 0.000 0.514 862 G N 1.042 109.881 108.800 0.064 0.000 2.249 862 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.273 862 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.273 862 G C -0.256 174.713 174.900 0.114 0.000 1.036 862 G CA 0.184 45.365 45.100 0.134 0.000 0.824 862 G HN 0.606 nan 8.290 nan 0.000 0.504 863 Q N -0.930 118.892 119.800 0.036 0.000 2.256 863 Q HA 0.642 4.982 4.340 -0.000 0.000 0.257 863 Q C 0.269 176.268 176.000 -0.001 0.000 0.936 863 Q CA -0.552 55.280 55.803 0.048 0.000 0.903 863 Q CB 1.255 30.026 28.738 0.056 0.000 1.263 863 Q HN 0.382 nan 8.270 nan 0.000 0.440 864 M N 2.688 122.314 119.600 0.044 0.000 2.027 864 M HA 0.424 4.904 4.480 -0.000 0.000 0.329 864 M C -1.160 175.208 176.300 0.114 0.000 0.971 864 M CA -0.567 54.748 55.300 0.025 0.000 0.933 864 M CB 0.780 33.376 32.600 -0.006 0.000 1.392 864 M HN 0.712 nan 8.290 nan 0.000 0.394 865 A N 6.861 129.721 122.820 0.066 0.000 2.444 865 A HA 0.398 4.718 4.320 -0.000 0.000 0.287 865 A C 0.023 177.618 177.584 0.018 0.000 1.195 865 A CA -0.276 51.797 52.037 0.059 0.000 0.858 865 A CB -0.459 18.561 19.000 0.033 0.000 1.117 865 A HN 0.868 nan 8.150 nan 0.000 0.521 866 I N 1.390 121.963 120.570 0.005 0.000 2.713 866 I HA 0.432 4.602 4.170 -0.000 0.000 0.300 866 I C 0.306 176.292 176.117 -0.219 0.000 1.009 866 I CA -0.160 61.040 61.300 -0.167 0.000 1.305 866 I CB 1.424 39.345 38.000 -0.131 0.000 1.430 866 I HN 0.443 nan 8.210 nan 0.000 0.546 867 T N 3.431 117.779 114.554 -0.344 0.000 3.578 867 T HA 0.352 4.702 4.350 -0.000 0.000 0.329 867 T C -0.579 173.918 174.700 -0.337 0.000 0.913 867 T CA -0.395 61.523 62.100 -0.303 0.000 1.029 867 T CB 1.283 70.064 68.868 -0.146 0.000 1.045 867 T HN 0.311 nan 8.240 nan 0.000 0.460 868 V N 2.370 121.967 119.914 -0.528 0.000 2.630 868 V HA 0.727 4.847 4.120 -0.000 0.000 0.305 868 V C -0.240 175.698 176.094 -0.261 0.000 1.046 868 V CA -0.752 61.286 62.300 -0.436 0.000 0.934 868 V CB 1.999 33.352 31.823 -0.784 0.000 1.003 868 V HN 0.792 nan 8.190 nan 0.000 0.451 869 D N 1.864 122.282 120.400 0.029 0.000 2.354 869 D HA 0.355 4.995 4.640 -0.000 0.000 0.230 869 D C -0.932 175.499 176.300 0.218 0.000 1.361 869 D CA -0.003 54.102 54.000 0.174 0.000 0.992 869 D CB 2.391 43.314 40.800 0.204 0.000 1.409 869 D HN 0.344 nan 8.370 nan 0.000 0.573 870 V N 1.359 121.435 119.914 0.269 0.000 3.134 870 V HA 0.506 4.626 4.120 -0.000 0.000 0.313 870 V C 0.402 176.613 176.094 0.194 0.000 1.069 870 V CA -0.564 61.892 62.300 0.260 0.000 1.048 870 V CB 2.127 34.107 31.823 0.261 0.000 1.119 870 V HN 0.332 nan 8.190 nan 0.000 0.461 871 E N 0.491 120.797 120.200 0.177 0.000 2.263 871 E HA 0.569 4.919 4.350 -0.000 0.000 0.268 871 E C -1.817 174.862 176.600 0.131 0.000 0.884 871 E CA -0.481 55.996 56.400 0.128 0.000 0.766 871 E CB 2.526 32.295 29.700 0.115 0.000 1.196 871 E HN 0.440 nan 8.360 nan 0.000 0.416 872 V N 1.529 121.504 119.914 0.102 0.000 2.513 872 V HA 0.550 4.670 4.120 -0.000 0.000 0.299 872 V C 0.153 176.257 176.094 0.018 0.000 1.035 872 V CA -0.956 61.403 62.300 0.099 0.000 0.889 872 V CB 1.577 33.473 31.823 0.121 0.000 0.988 872 V HN 0.801 nan 8.190 nan 0.000 0.440 873 A N 2.722 125.515 122.820 -0.045 0.000 2.440 873 A HA 0.417 4.737 4.320 -0.000 0.000 0.251 873 A C 1.630 179.196 177.584 -0.030 0.000 1.089 873 A CA 0.532 52.542 52.037 -0.045 0.000 0.779 873 A CB 0.538 19.491 19.000 -0.077 0.000 1.022 873 A HN 1.282 nan 8.150 nan 0.000 0.492 874 S N 1.585 117.269 115.700 -0.025 0.000 2.365 874 S HA -0.197 4.273 4.470 -0.000 0.000 0.225 874 S C 1.059 175.655 174.600 -0.007 0.000 1.039 874 S CA 1.761 59.943 58.200 -0.031 0.000 1.033 874 S CB -0.456 62.734 63.200 -0.016 0.000 0.887 874 S HN 0.839 nan 8.310 nan 0.000 0.447 875 D N 0.852 121.259 120.400 0.012 0.000 3.038 875 D HA 0.152 4.792 4.640 -0.000 0.000 0.243 875 D C -0.119 176.219 176.300 0.065 0.000 1.245 875 D CA 0.036 54.059 54.000 0.038 0.000 0.871 875 D CB -0.275 40.543 40.800 0.030 0.000 1.089 875 D HN 0.242 nan 8.370 nan 0.000 0.464 876 T N 0.342 114.954 114.554 0.096 0.000 2.933 876 T HA 0.353 4.703 4.350 -0.000 0.000 0.305 876 T C -2.858 172.048 174.700 0.343 0.000 1.092 876 T CA -1.560 60.654 62.100 0.191 0.000 1.008 876 T CB 1.732 70.697 68.868 0.162 0.000 1.102 876 T HN -0.187 nan 8.240 nan 0.000 0.469 877 P HA -0.010 nan 4.420 nan 0.000 0.255 877 P C -0.601 177.192 177.300 0.822 0.000 1.151 877 P CA 0.296 63.740 63.100 0.572 0.000 0.767 877 P CB -0.193 31.748 31.700 0.402 0.000 0.736 878 H N 4.756 124.175 119.070 0.582 0.000 3.125 878 H HA 0.032 4.588 4.556 -0.000 0.000 0.310 878 H C -1.654 173.986 175.328 0.521 0.000 0.980 878 H CA -1.361 54.966 56.048 0.465 0.000 1.422 878 H CB -1.069 28.915 29.762 0.371 0.000 1.432 878 H HN 0.373 nan 8.280 nan 0.000 0.577 879 P HA 0.047 nan 4.420 nan 0.000 0.272 879 P C 0.224 177.456 177.300 -0.112 0.000 1.230 879 P CA -0.238 62.909 63.100 0.079 0.000 0.788 879 P CB 0.940 32.530 31.700 -0.183 0.000 0.949 880 A N 2.692 125.255 122.820 -0.428 0.000 1.930 880 A HA -0.035 4.285 4.320 -0.000 0.000 0.215 880 A C 1.152 178.490 177.584 -0.410 0.000 1.176 880 A CA 1.190 52.990 52.037 -0.396 0.000 0.632 880 A CB -0.416 18.185 19.000 -0.664 0.000 0.819 880 A HN 0.734 nan 8.150 nan 0.000 0.445 881 R N -2.324 117.900 120.500 -0.461 0.000 2.781 881 R HA 0.776 5.116 4.340 -0.000 0.000 0.269 881 R C -1.661 174.443 176.300 -0.328 0.000 1.025 881 R CA -0.790 55.009 56.100 -0.502 0.000 0.914 881 R CB 1.060 30.929 30.300 -0.719 0.000 1.236 881 R HN 0.003 nan 8.270 nan 0.000 0.465 882 I N 1.363 121.758 120.570 -0.292 0.000 2.576 882 I HA 0.497 4.667 4.170 -0.000 0.000 0.279 882 I C -0.669 175.266 176.117 -0.304 0.000 1.114 882 I CA -0.418 60.797 61.300 -0.142 0.000 1.076 882 I CB 1.676 39.627 38.000 -0.082 0.000 1.212 882 I HN 1.023 nan 8.210 nan 0.000 0.472 883 G N 6.001 114.661 108.800 -0.232 0.000 2.772 883 G HA2 0.795 4.755 3.960 -0.000 0.000 0.284 883 G HA3 0.795 4.755 3.960 -0.000 0.000 0.284 883 G C -1.719 173.132 174.900 -0.081 0.000 1.217 883 G CA -0.473 44.482 45.100 -0.241 0.000 0.831 883 G HN 0.232 nan 8.290 nan 0.000 0.523 884 L N 1.451 122.626 121.223 -0.081 0.000 2.482 884 L HA 0.462 4.802 4.340 -0.000 0.000 0.263 884 L C -1.412 175.419 176.870 -0.064 0.000 0.957 884 L CA -1.101 53.713 54.840 -0.044 0.000 0.836 884 L CB 2.578 44.682 42.059 0.076 0.000 1.324 884 L HN 0.810 nan 8.230 nan 0.000 0.406 885 N N 1.906 120.576 118.700 -0.050 0.000 2.262 885 N HA 0.716 5.456 4.740 -0.000 0.000 0.295 885 N C -1.098 174.469 175.510 0.097 0.000 1.161 885 N CA -0.563 52.499 53.050 0.020 0.000 0.767 885 N CB 2.503 41.005 38.487 0.024 0.000 1.499 885 N HN 0.701 nan 8.380 nan 0.000 0.476 886 C N -0.614 118.778 119.300 0.152 0.000 3.082 886 C HA 0.496 4.956 4.460 -0.000 0.000 0.324 886 C C -0.333 174.664 174.990 0.012 0.000 1.210 886 C CA -0.867 58.219 59.018 0.112 0.000 1.366 886 C CB 0.976 28.809 27.740 0.155 0.000 1.756 886 C HN 0.842 nan 8.230 nan 0.000 0.485 887 Q N 2.483 122.088 119.800 -0.326 0.000 2.553 887 Q HA 0.449 4.789 4.340 -0.000 0.000 0.221 887 Q C -0.302 175.481 176.000 -0.362 0.000 1.219 887 Q CA -0.277 55.090 55.803 -0.727 0.000 0.955 887 Q CB 0.185 28.084 28.738 -1.399 0.000 1.399 887 Q HN 0.796 nan 8.270 nan 0.000 0.551 888 L N 2.042 123.159 121.223 -0.176 0.000 2.559 888 L HA -0.058 4.282 4.340 -0.000 0.000 0.282 888 L C 1.227 177.994 176.870 -0.172 0.000 1.232 888 L CA 0.052 54.835 54.840 -0.096 0.000 0.885 888 L CB 0.266 42.327 42.059 0.002 0.000 1.131 888 L HN 0.680 nan 8.230 nan 0.000 0.498 889 A N 2.646 125.368 122.820 -0.162 0.000 2.072 889 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 889 A C 0.971 178.465 177.584 -0.151 0.000 1.156 889 A CA 0.354 52.288 52.037 -0.171 0.000 0.701 889 A CB -0.117 18.777 19.000 -0.176 0.000 0.816 889 A HN 0.845 nan 8.150 nan 0.000 0.458 890 Q N -0.683 119.020 119.800 -0.162 0.000 2.249 890 Q HA 0.522 4.862 4.340 -0.000 0.000 0.226 890 Q C -1.217 174.666 176.000 -0.195 0.000 0.983 890 Q CA -0.307 55.388 55.803 -0.181 0.000 0.930 890 Q CB 1.322 29.936 28.738 -0.207 0.000 1.193 890 Q HN 0.049 nan 8.270 nan 0.000 0.508 891 V N 2.318 122.129 119.914 -0.171 0.000 2.467 891 V HA 0.479 4.599 4.120 -0.000 0.000 0.260 891 V C -0.307 175.750 176.094 -0.063 0.000 0.963 891 V CA -0.170 62.085 62.300 -0.075 0.000 0.856 891 V CB 0.389 32.197 31.823 -0.024 0.000 1.087 891 V HN 0.903 nan 8.190 nan 0.000 0.467 892 A N 1.901 124.609 122.820 -0.187 0.000 2.310 892 A HA 0.593 4.913 4.320 -0.000 0.000 0.260 892 A C 1.191 178.889 177.584 0.191 0.000 1.112 892 A CA 0.051 52.071 52.037 -0.029 0.000 0.804 892 A CB 0.507 19.444 19.000 -0.105 0.000 1.081 892 A HN 0.551 nan 8.150 nan 0.000 0.499 893 E N 0.376 120.663 120.200 0.145 0.000 2.011 893 E HA 0.005 4.355 4.350 -0.000 0.000 0.191 893 E C 0.644 177.346 176.600 0.170 0.000 0.979 893 E CA 0.773 57.252 56.400 0.132 0.000 0.822 893 E CB -0.281 29.466 29.700 0.079 0.000 0.782 893 E HN 0.565 nan 8.360 nan 0.000 0.459 894 R N 0.498 121.099 120.500 0.168 0.000 2.637 894 R HA 0.366 4.706 4.340 -0.000 0.000 0.269 894 R C -0.347 176.092 176.300 0.231 0.000 1.089 894 R CA -0.292 55.910 56.100 0.169 0.000 1.177 894 R CB 1.030 31.407 30.300 0.128 0.000 1.091 894 R HN -0.034 nan 8.270 nan 0.000 0.540 895 V N 2.356 122.395 119.914 0.208 0.000 2.531 895 V HA 0.256 4.376 4.120 -0.000 0.000 0.301 895 V C -0.253 176.035 176.094 0.324 0.000 1.034 895 V CA -0.859 61.585 62.300 0.241 0.000 0.865 895 V CB 1.745 33.702 31.823 0.224 0.000 0.995 895 V HN 0.725 nan 8.190 nan 0.000 0.424 896 N N 4.029 122.911 118.700 0.304 0.000 2.240 896 N HA 0.612 5.352 4.740 -0.000 0.000 0.302 896 N C -1.689 174.025 175.510 0.340 0.000 1.106 896 N CA -0.480 52.696 53.050 0.210 0.000 0.778 896 N CB 3.085 41.617 38.487 0.076 0.000 1.431 896 N HN 0.781 nan 8.380 nan 0.000 0.479 897 W N 2.991 124.357 121.300 0.109 0.000 3.901 897 W HA 0.381 5.041 4.660 -0.000 0.000 0.274 897 W C -2.373 174.206 176.519 0.100 0.000 1.278 897 W CA -1.014 56.407 57.345 0.127 0.000 1.235 897 W CB 0.021 29.626 29.460 0.243 0.000 1.261 897 W HN 0.377 nan 8.180 nan 0.000 0.546 898 L N 5.838 127.110 121.223 0.081 0.000 2.272 898 L HA 0.904 5.244 4.340 -0.000 0.000 0.284 898 L C 0.152 177.135 176.870 0.187 0.000 1.045 898 L CA 0.524 55.313 54.840 -0.085 0.000 0.842 898 L CB 0.226 42.197 42.059 -0.147 0.000 1.224 898 L HN 0.962 nan 8.230 nan 0.000 0.430 899 G N 3.989 112.920 108.800 0.219 0.000 2.635 899 G HA2 0.252 4.212 3.960 -0.000 0.000 0.194 899 G HA3 0.252 4.212 3.960 -0.000 0.000 0.194 899 G C -1.370 173.864 174.900 0.557 0.000 1.198 899 G CA -0.824 44.622 45.100 0.577 0.000 0.972 899 G HN 0.279 nan 8.290 nan 0.000 0.520 900 L N 2.288 123.784 121.223 0.455 0.000 2.315 900 L HA 0.569 4.909 4.340 -0.000 0.000 0.278 900 L C 0.838 177.699 176.870 -0.015 0.000 1.088 900 L CA -0.276 54.696 54.840 0.221 0.000 0.899 900 L CB 0.354 42.448 42.059 0.059 0.000 1.277 900 L HN 0.649 nan 8.230 nan 0.000 0.431 901 G N 2.735 111.281 108.800 -0.422 0.000 3.016 901 G HA2 0.633 4.593 3.960 -0.000 0.000 0.270 901 G HA3 0.633 4.593 3.960 -0.000 0.000 0.270 901 G C -2.476 171.408 174.900 -1.695 0.000 1.352 901 G CA -0.811 43.457 45.100 -1.388 0.000 1.060 901 G HN 0.285 nan 8.290 nan 0.000 0.538 902 P HA 0.180 nan 4.420 nan 0.000 0.289 902 P C 0.400 177.479 177.300 -0.369 0.000 1.303 902 P CA 0.067 62.635 63.100 -0.887 0.000 0.946 902 P CB 0.995 32.319 31.700 -0.627 0.000 1.454 903 Q N 0.793 120.352 119.800 -0.402 0.000 2.396 903 Q HA 0.112 4.452 4.340 -0.000 0.000 0.221 903 Q C 0.569 176.406 176.000 -0.272 0.000 1.025 903 Q CA -0.289 55.352 55.803 -0.270 0.000 0.946 903 Q CB 0.651 29.255 28.738 -0.223 0.000 1.224 903 Q HN 0.099 nan 8.270 nan 0.000 0.539 904 E N 0.817 120.878 120.200 -0.231 0.000 2.438 904 E HA -0.064 4.286 4.350 -0.000 0.000 0.261 904 E C -1.264 175.245 176.600 -0.152 0.000 1.103 904 E CA 0.235 56.509 56.400 -0.210 0.000 0.959 904 E CB 0.337 29.957 29.700 -0.133 0.000 0.958 904 E HN 0.667 nan 8.360 nan 0.000 0.447 905 N N 1.300 119.926 118.700 -0.123 0.000 2.827 905 N HA 0.195 4.935 4.740 -0.000 0.000 0.248 905 N C -1.847 173.561 175.510 -0.171 0.000 1.074 905 N CA -0.731 52.273 53.050 -0.077 0.000 1.042 905 N CB 0.348 38.736 38.487 -0.165 0.000 1.684 905 N HN 0.250 nan 8.380 nan 0.000 0.542 906 Y N 0.853 121.002 120.300 -0.251 0.000 2.568 906 Y HA 0.543 5.093 4.550 -0.000 0.000 0.327 906 Y C -1.409 174.360 175.900 -0.218 0.000 1.163 906 Y CA -2.069 55.861 58.100 -0.283 0.000 1.219 906 Y CB 0.697 38.965 38.460 -0.321 0.000 1.308 906 Y HN 0.427 nan 8.280 nan 0.000 0.503 907 P HA -0.146 nan 4.420 nan 0.000 0.214 907 P C 0.030 177.250 177.300 -0.133 0.000 1.163 907 P CA 1.833 64.925 63.100 -0.013 0.000 0.883 907 P CB 0.069 31.857 31.700 0.147 0.000 0.788 908 D N -0.609 119.476 120.400 -0.524 0.000 3.057 908 D HA 0.119 4.759 4.640 -0.000 0.000 0.246 908 D C 0.312 176.406 176.300 -0.344 0.000 1.238 908 D CA -0.374 53.088 54.000 -0.896 0.000 0.949 908 D CB -0.396 39.495 40.800 -1.515 0.000 1.086 908 D HN 0.103 nan 8.370 nan 0.000 0.487 909 R N 0.786 121.190 120.500 -0.158 0.000 2.385 909 R HA 0.023 4.363 4.340 -0.000 0.000 0.148 909 R C -0.418 175.860 176.300 -0.037 0.000 1.086 909 R CA 0.086 56.145 56.100 -0.068 0.000 0.827 909 R CB -0.536 29.716 30.300 -0.079 0.000 1.260 909 R HN 0.273 nan 8.270 nan 0.000 0.617 910 L N -3.493 117.718 121.223 -0.021 0.000 3.217 910 L HA 0.370 4.710 4.340 -0.000 0.000 0.288 910 L C 1.665 178.527 176.870 -0.014 0.000 1.202 910 L CA 0.284 55.104 54.840 -0.032 0.000 1.027 910 L CB 0.555 42.587 42.059 -0.044 0.000 1.427 910 L HN 0.047 nan 8.230 nan 0.000 0.600 911 T N -1.260 113.311 114.554 0.027 0.000 2.778 911 T HA -0.182 4.168 4.350 -0.000 0.000 0.269 911 T C 1.838 176.467 174.700 -0.118 0.000 1.050 911 T CA 1.797 63.921 62.100 0.040 0.000 1.137 911 T CB -0.339 68.626 68.868 0.161 0.000 0.860 911 T HN 0.459 nan 8.240 nan 0.000 0.468 912 A N 2.250 125.024 122.820 -0.078 0.000 1.898 912 A HA 0.545 4.865 4.320 -0.000 0.000 0.216 912 A C 1.826 179.405 177.584 -0.009 0.000 1.181 912 A CA 0.888 52.869 52.037 -0.093 0.000 0.620 912 A CB -1.359 17.709 19.000 0.114 0.000 0.819 912 A HN 1.017 nan 8.150 nan 0.000 0.442 913 A N -1.036 121.740 122.820 -0.073 0.000 2.561 913 A HA 0.322 4.642 4.320 -0.000 0.000 0.234 913 A C 0.361 177.905 177.584 -0.067 0.000 1.055 913 A CA 0.199 52.161 52.037 -0.124 0.000 0.756 913 A CB -0.468 18.440 19.000 -0.154 0.000 0.986 913 A HN 0.541 nan 8.150 nan 0.000 0.505 914 C N 1.046 120.300 119.300 -0.077 0.000 2.401 914 C HA 0.634 5.094 4.460 -0.000 0.000 0.356 914 C C -0.048 175.013 174.990 0.119 0.000 1.192 914 C CA -0.249 58.778 59.018 0.016 0.000 2.028 914 C CB 0.973 28.723 27.740 0.017 0.000 2.344 914 C HN 0.784 nan 8.230 nan 0.000 0.525 915 F N 3.241 123.057 119.950 -0.224 0.000 2.313 915 F HA 0.482 5.009 4.527 -0.000 0.000 0.369 915 F C 0.057 175.667 175.800 -0.316 0.000 1.109 915 F CA 0.197 57.992 58.000 -0.341 0.000 1.132 915 F CB -0.208 38.186 39.000 -1.010 0.000 1.291 915 F HN 0.620 nan 8.300 nan 0.000 0.496 916 D N 3.483 123.563 120.400 -0.533 0.000 3.057 916 D HA 0.296 4.936 4.640 -0.000 0.000 0.328 916 D C -1.242 174.303 176.300 -1.259 0.000 1.317 916 D CA -0.774 52.590 54.000 -1.061 0.000 0.973 916 D CB 2.116 42.218 40.800 -1.164 0.000 1.424 916 D HN 0.401 nan 8.370 nan 0.000 0.569 917 R N 0.577 120.301 120.500 -1.292 0.000 2.215 917 R HA 0.346 4.686 4.340 -0.000 0.000 0.337 917 R C -1.297 174.229 176.300 -1.290 0.000 1.010 917 R CA -0.451 55.030 56.100 -1.032 0.000 0.871 917 R CB 0.386 30.303 30.300 -0.638 0.000 1.134 917 R HN 0.213 nan 8.270 nan 0.000 0.477 918 W N 3.335 124.095 121.300 -0.900 0.000 2.475 918 W HA 0.309 4.969 4.660 -0.000 0.000 0.317 918 W C -0.453 175.451 176.519 -1.026 0.000 1.046 918 W CA -0.743 55.942 57.345 -1.099 0.000 1.215 918 W CB 1.556 30.012 29.460 -1.672 0.000 1.335 918 W HN 0.369 nan 8.180 nan 0.000 0.471 919 D N 4.252 124.450 120.400 -0.335 0.000 2.473 919 D HA 0.573 5.213 4.640 -0.000 0.000 0.253 919 D C -1.216 175.096 176.300 0.019 0.000 1.233 919 D CA -0.212 53.713 54.000 -0.124 0.000 0.908 919 D CB 0.601 41.337 40.800 -0.107 0.000 1.170 919 D HN 0.382 nan 8.370 nan 0.000 0.558 920 L N 2.276 123.588 121.223 0.147 0.000 2.409 920 L HA 0.672 5.012 4.340 -0.000 0.000 0.255 920 L C -2.430 174.533 176.870 0.155 0.000 1.027 920 L CA -2.583 52.352 54.840 0.158 0.000 0.834 920 L CB 2.016 44.191 42.059 0.193 0.000 1.426 920 L HN 0.085 nan 8.230 nan 0.000 0.411 921 P HA 0.013 nan 4.420 nan 0.000 0.265 921 P C 0.659 178.017 177.300 0.097 0.000 1.193 921 P CA -0.153 63.004 63.100 0.094 0.000 0.765 921 P CB 0.629 32.370 31.700 0.068 0.000 0.823 922 L N 3.466 124.743 121.223 0.090 0.000 2.211 922 L HA -0.279 4.061 4.340 -0.000 0.000 0.216 922 L C 2.032 178.937 176.870 0.058 0.000 1.092 922 L CA 2.062 56.938 54.840 0.060 0.000 0.767 922 L CB -0.997 41.105 42.059 0.071 0.000 0.894 922 L HN 0.301 nan 8.230 nan 0.000 0.437 923 S N -0.374 115.368 115.700 0.069 0.000 2.349 923 S HA -0.202 4.268 4.470 -0.000 0.000 0.216 923 S C 1.369 176.024 174.600 0.093 0.000 1.033 923 S CA 1.396 59.647 58.200 0.085 0.000 1.021 923 S CB -0.534 62.706 63.200 0.066 0.000 0.968 923 S HN 0.548 nan 8.310 nan 0.000 0.426 924 D N 1.497 121.933 120.400 0.059 0.000 2.424 924 D HA -0.129 4.511 4.640 -0.000 0.000 0.221 924 D C 0.890 177.185 176.300 -0.008 0.000 0.978 924 D CA 0.857 54.873 54.000 0.027 0.000 0.971 924 D CB -0.284 40.546 40.800 0.049 0.000 0.869 924 D HN 0.469 nan 8.370 nan 0.000 0.506 925 M N -0.862 118.746 119.600 0.014 0.000 2.576 925 M HA 0.156 4.636 4.480 -0.000 0.000 0.322 925 M C -0.342 175.966 176.300 0.013 0.000 1.184 925 M CA -0.469 54.798 55.300 -0.054 0.000 0.967 925 M CB 0.195 32.737 32.600 -0.096 0.000 1.372 925 M HN -0.125 nan 8.290 nan 0.000 0.509 926 Y N 0.879 121.127 120.300 -0.087 0.000 2.350 926 Y HA 0.523 5.073 4.550 -0.000 0.000 0.338 926 Y C -0.933 174.863 175.900 -0.174 0.000 0.961 926 Y CA -0.533 57.520 58.100 -0.078 0.000 1.100 926 Y CB 1.545 40.022 38.460 0.029 0.000 1.179 926 Y HN -0.046 nan 8.280 nan 0.000 0.454 927 T N 9.507 123.461 114.554 -1.000 0.000 2.753 927 T HA 0.264 4.614 4.350 -0.000 0.000 0.297 927 T C -2.523 171.292 174.700 -1.474 0.000 0.981 927 T CA -1.486 59.936 62.100 -1.130 0.000 0.956 927 T CB 1.016 69.308 68.868 -0.960 0.000 0.936 927 T HN 0.451 nan 8.240 nan 0.000 0.463 928 P HA 0.072 nan 4.420 nan 0.000 0.262 928 P C -0.615 176.520 177.300 -0.275 0.000 1.647 928 P CA -0.286 62.398 63.100 -0.693 0.000 0.865 928 P CB -0.821 30.588 31.700 -0.484 0.000 1.834 929 Y N -0.282 119.910 120.300 -0.180 0.000 2.754 929 Y HA -0.062 4.488 4.550 -0.000 0.000 0.349 929 Y C 2.127 178.060 175.900 0.055 0.000 1.179 929 Y CA -0.261 57.812 58.100 -0.044 0.000 1.538 929 Y CB -0.463 37.918 38.460 -0.132 0.000 1.200 929 Y HN -0.126 nan 8.280 nan 0.000 0.522 930 V N 3.684 123.798 119.914 0.334 0.000 2.418 930 V HA -0.333 3.787 4.120 -0.000 0.000 0.258 930 V C 0.630 176.887 176.094 0.271 0.000 1.088 930 V CA 1.727 64.203 62.300 0.293 0.000 1.091 930 V CB -0.743 31.284 31.823 0.340 0.000 0.669 930 V HN 0.582 nan 8.190 nan 0.000 0.461 931 F N 2.299 122.263 119.950 0.023 0.000 2.402 931 F HA 0.599 5.126 4.527 -0.000 0.000 0.355 931 F C -2.607 173.163 175.800 -0.051 0.000 1.123 931 F CA -3.792 54.162 58.000 -0.077 0.000 1.021 931 F CB 1.191 40.028 39.000 -0.270 0.000 1.160 931 F HN -0.101 nan 8.300 nan 0.000 0.451 932 P HA 0.269 nan 4.420 nan 0.000 0.268 932 P C -0.985 176.132 177.300 -0.305 0.000 1.205 932 P CA 0.293 63.203 63.100 -0.316 0.000 0.771 932 P CB 1.111 32.587 31.700 -0.372 0.000 0.858 933 S N 0.174 115.821 115.700 -0.089 0.000 2.688 933 S HA 0.306 4.776 4.470 -0.000 0.000 0.266 933 S C -0.877 173.729 174.600 0.010 0.000 1.061 933 S CA -0.993 57.189 58.200 -0.031 0.000 0.844 933 S CB 0.106 63.333 63.200 0.045 0.000 1.103 933 S HN 0.336 nan 8.310 nan 0.000 0.471 934 E N 1.292 121.502 120.200 0.017 0.000 2.812 934 E HA 0.254 4.604 4.350 -0.000 0.000 0.276 934 E C 0.175 176.818 176.600 0.072 0.000 0.946 934 E CA 1.886 58.315 56.400 0.049 0.000 0.971 934 E CB -0.341 29.413 29.700 0.089 0.000 0.960 934 E HN 0.881 nan 8.360 nan 0.000 0.479 935 N N 0.407 119.170 118.700 0.106 0.000 3.622 935 N HA 0.352 5.092 4.740 -0.000 0.000 0.352 935 N C 0.767 176.320 175.510 0.073 0.000 1.559 935 N CA -0.615 52.502 53.050 0.111 0.000 0.801 935 N CB -0.364 38.142 38.487 0.031 0.000 2.399 935 N HN 0.513 nan 8.380 nan 0.000 0.545 936 G N -0.315 108.453 108.800 -0.054 0.000 2.357 936 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.312 936 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.312 936 G C 0.206 174.917 174.900 -0.316 0.000 0.999 936 G CA 1.307 46.305 45.100 -0.170 0.000 0.715 936 G HN 0.623 nan 8.290 nan 0.000 0.526 937 L N -1.054 119.992 121.223 -0.296 0.000 2.558 937 L HA 0.281 4.621 4.340 -0.000 0.000 0.301 937 L C 0.728 177.118 176.870 -0.799 0.000 1.267 937 L CA 0.346 54.802 54.840 -0.639 0.000 0.854 937 L CB 0.415 41.923 42.059 -0.918 0.000 1.103 937 L HN 0.265 nan 8.230 nan 0.000 0.522 938 R N 2.461 122.345 120.500 -1.026 0.000 2.673 938 R HA 0.503 4.843 4.340 -0.000 0.000 0.281 938 R C -1.325 174.550 176.300 -0.709 0.000 0.991 938 R CA -0.278 55.258 56.100 -0.941 0.000 0.896 938 R CB 1.749 31.238 30.300 -1.352 0.000 1.201 938 R HN 0.631 nan 8.270 nan 0.000 0.457 939 C N 0.080 119.111 119.300 -0.450 0.000 2.630 939 C HA 0.753 5.213 4.460 -0.000 0.000 0.346 939 C C 0.866 175.760 174.990 -0.160 0.000 1.245 939 C CA 0.061 58.897 59.018 -0.303 0.000 1.804 939 C CB 1.678 29.265 27.740 -0.255 0.000 2.279 939 C HN 1.010 nan 8.230 nan 0.000 0.498 940 G N 2.557 111.278 108.800 -0.133 0.000 2.366 940 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.299 940 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.299 940 G C -0.107 174.780 174.900 -0.022 0.000 1.020 940 G CA 0.618 45.676 45.100 -0.070 0.000 1.026 940 G HN 0.934 nan 8.290 nan 0.000 0.512 941 T N -1.019 113.423 114.554 -0.186 0.000 2.799 941 T HA 0.654 5.004 4.350 -0.000 0.000 0.286 941 T C 1.331 175.832 174.700 -0.331 0.000 0.973 941 T CA -0.857 61.145 62.100 -0.164 0.000 1.035 941 T CB 2.559 71.354 68.868 -0.122 0.000 0.932 941 T HN 0.203 nan 8.240 nan 0.000 0.469 942 R N 1.458 121.984 120.500 0.044 0.000 2.033 942 R HA 0.195 4.535 4.340 -0.000 0.000 0.219 942 R C 0.804 177.230 176.300 0.209 0.000 1.223 942 R CA 0.618 56.802 56.100 0.140 0.000 0.971 942 R CB -0.063 30.401 30.300 0.274 0.000 0.855 942 R HN 0.772 nan 8.270 nan 0.000 0.452 943 E N 1.207 121.551 120.200 0.241 0.000 2.199 943 E HA 0.276 4.626 4.350 -0.000 0.000 0.269 943 E C -1.497 175.292 176.600 0.315 0.000 0.899 943 E CA -0.591 55.989 56.400 0.299 0.000 0.772 943 E CB 1.459 31.302 29.700 0.238 0.000 1.155 943 E HN -0.056 nan 8.360 nan 0.000 0.408 944 L N 4.238 125.683 121.223 0.369 0.000 2.362 944 L HA 0.549 4.889 4.340 -0.000 0.000 0.275 944 L C -1.824 175.258 176.870 0.352 0.000 0.998 944 L CA -0.464 54.526 54.840 0.251 0.000 0.820 944 L CB 1.617 43.613 42.059 -0.106 0.000 1.270 944 L HN 0.422 nan 8.230 nan 0.000 0.415 945 N N 4.241 123.121 118.700 0.300 0.000 2.399 945 N HA 0.366 5.106 4.740 -0.000 0.000 0.284 945 N C -1.836 173.925 175.510 0.418 0.000 1.025 945 N CA -0.186 53.085 53.050 0.368 0.000 0.885 945 N CB 1.478 40.113 38.487 0.246 0.000 1.339 945 N HN 0.508 nan 8.380 nan 0.000 0.487 946 Y N 1.979 122.485 120.300 0.344 0.000 2.628 946 Y HA 0.506 5.056 4.550 -0.000 0.000 0.354 946 Y C 0.829 176.851 175.900 0.204 0.000 1.061 946 Y CA -0.265 57.972 58.100 0.230 0.000 1.251 946 Y CB -0.013 38.565 38.460 0.196 0.000 1.098 946 Y HN 0.815 nan 8.280 nan 0.000 0.626 947 G N 5.166 114.076 108.800 0.184 0.000 2.588 947 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.273 947 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.273 947 G C -1.443 173.524 174.900 0.112 0.000 1.211 947 G CA 0.113 45.239 45.100 0.042 0.000 0.958 947 G HN 0.390 nan 8.290 nan 0.000 0.543 948 P HA 0.088 nan 4.420 nan 0.000 0.215 948 P C 0.912 178.265 177.300 0.088 0.000 1.157 948 P CA 1.710 64.869 63.100 0.098 0.000 0.859 948 P CB -0.366 31.378 31.700 0.074 0.000 0.786 949 H N -0.199 118.865 119.070 -0.009 0.000 2.815 949 H HA 0.270 4.826 4.556 -0.000 0.000 0.389 949 H C 0.794 176.090 175.328 -0.053 0.000 1.585 949 H CA 0.606 56.584 56.048 -0.117 0.000 1.472 949 H CB -0.183 29.330 29.762 -0.415 0.000 1.519 949 H HN 0.136 nan 8.280 nan 0.000 0.603 950 Q N 0.210 119.927 119.800 -0.138 0.000 2.857 950 Q HA 0.123 4.463 4.340 -0.000 0.000 0.214 950 Q C -2.105 173.968 176.000 0.122 0.000 0.912 950 Q CA -0.442 55.461 55.803 0.167 0.000 1.183 950 Q CB 0.532 29.364 28.738 0.158 0.000 1.689 950 Q HN 0.679 nan 8.270 nan 0.000 0.565 951 W N 3.378 124.672 121.300 -0.010 0.000 2.578 951 W HA 0.751 5.411 4.660 -0.000 0.000 0.353 951 W C -0.020 176.568 176.519 0.116 0.000 1.088 951 W CA -1.222 56.085 57.345 -0.063 0.000 1.235 951 W CB 1.897 31.139 29.460 -0.363 0.000 1.362 951 W HN 0.497 nan 8.180 nan 0.000 0.592 952 R N 0.284 121.013 120.500 0.382 0.000 2.584 952 R HA 0.630 4.970 4.340 -0.000 0.000 0.276 952 R C 0.037 176.570 176.300 0.389 0.000 1.046 952 R CA -0.396 55.939 56.100 0.393 0.000 0.906 952 R CB 2.190 32.657 30.300 0.277 0.000 1.215 952 R HN 0.787 nan 8.270 nan 0.000 0.449 953 G N 0.802 109.912 108.800 0.516 0.000 2.600 953 G HA2 0.067 4.027 3.960 -0.000 0.000 0.072 953 G HA3 0.067 4.027 3.960 -0.000 0.000 0.072 953 G C -1.616 173.512 174.900 0.381 0.000 1.051 953 G CA -0.145 45.226 45.100 0.453 0.000 1.230 953 G HN 0.502 nan 8.290 nan 0.000 0.547 954 D N -0.060 120.592 120.400 0.421 0.000 2.491 954 D HA 0.447 5.087 4.640 -0.000 0.000 0.232 954 D C -1.262 175.084 176.300 0.077 0.000 1.334 954 D CA -0.255 53.805 54.000 0.099 0.000 0.909 954 D CB 0.537 41.399 40.800 0.103 0.000 1.513 954 D HN 0.377 nan 8.370 nan 0.000 0.514 955 F N -0.052 119.886 119.950 -0.020 0.000 2.824 955 F HA 0.645 5.172 4.527 -0.000 0.000 0.330 955 F C -1.097 174.644 175.800 -0.099 0.000 1.175 955 F CA -0.944 56.977 58.000 -0.132 0.000 0.974 955 F CB 0.587 39.502 39.000 -0.142 0.000 1.430 955 F HN -0.169 nan 8.300 nan 0.000 0.507 956 Q N 1.596 121.374 119.800 -0.037 0.000 2.353 956 Q HA 0.583 4.923 4.340 -0.000 0.000 0.268 956 Q C -1.343 174.694 176.000 0.061 0.000 1.045 956 Q CA -0.420 55.311 55.803 -0.121 0.000 0.811 956 Q CB 2.706 31.314 28.738 -0.217 0.000 1.305 956 Q HN 0.869 nan 8.270 nan 0.000 0.447 957 F N -0.541 119.287 119.950 -0.202 0.000 2.790 957 F HA 0.825 5.352 4.527 -0.000 0.000 0.337 957 F C -1.413 174.206 175.800 -0.301 0.000 1.163 957 F CA -1.070 56.804 58.000 -0.211 0.000 0.997 957 F CB 1.753 40.645 39.000 -0.179 0.000 1.437 957 F HN 0.523 nan 8.300 nan 0.000 0.512 958 N N 1.006 119.759 118.700 0.089 0.000 2.839 958 N HA 0.242 4.982 4.740 -0.000 0.000 0.258 958 N C -2.395 173.162 175.510 0.078 0.000 1.150 958 N CA -0.508 52.507 53.050 -0.058 0.000 0.957 958 N CB 0.868 39.270 38.487 -0.142 0.000 1.560 958 N HN 1.079 nan 8.380 nan 0.000 0.588 959 I N 2.413 123.031 120.570 0.081 0.000 2.354 959 I HA 0.559 4.729 4.170 -0.000 0.000 0.286 959 I C 0.153 176.252 176.117 -0.030 0.000 1.007 959 I CA -0.062 61.213 61.300 -0.042 0.000 1.167 959 I CB 0.739 38.612 38.000 -0.211 0.000 1.320 959 I HN 0.863 nan 8.210 nan 0.000 0.458 960 S N 7.387 123.106 115.700 0.031 0.000 4.422 960 S HA 0.585 5.055 4.470 -0.000 0.000 0.210 960 S C 0.681 175.268 174.600 -0.022 0.000 1.082 960 S CA -0.606 57.628 58.200 0.057 0.000 1.813 960 S CB 1.243 64.567 63.200 0.207 0.000 0.877 960 S HN 0.639 nan 8.310 nan 0.000 0.755 961 R N -0.515 119.873 120.500 -0.186 0.000 2.468 961 R HA 0.246 4.586 4.340 -0.000 0.000 0.352 961 R C -1.516 174.524 176.300 -0.434 0.000 0.858 961 R CA 0.066 55.955 56.100 -0.352 0.000 1.108 961 R CB 0.293 30.235 30.300 -0.597 0.000 1.741 961 R HN 0.611 nan 8.270 nan 0.000 0.504 962 Y N 1.041 121.351 120.300 0.015 0.000 2.350 962 Y HA 0.345 4.895 4.550 -0.000 0.000 0.338 962 Y C 0.668 176.329 175.900 -0.399 0.000 0.961 962 Y CA -1.222 56.791 58.100 -0.145 0.000 1.100 962 Y CB 1.621 39.964 38.460 -0.195 0.000 1.179 962 Y HN -0.098 nan 8.280 nan 0.000 0.454 963 S N 2.187 117.588 115.700 -0.498 0.000 2.565 963 S HA 0.082 4.552 4.470 -0.000 0.000 0.274 963 S C 0.770 175.087 174.600 -0.472 0.000 1.309 963 S CA -0.806 56.803 58.200 -0.986 0.000 1.043 963 S CB 1.210 63.795 63.200 -1.024 0.000 0.939 963 S HN 0.775 nan 8.310 nan 0.000 0.504 964 Q N 1.261 120.791 119.800 -0.449 0.000 2.376 964 Q HA -0.223 4.117 4.340 -0.000 0.000 0.211 964 Q C 1.874 177.757 176.000 -0.194 0.000 0.986 964 Q CA 1.470 57.127 55.803 -0.244 0.000 0.886 964 Q CB -0.229 28.392 28.738 -0.196 0.000 0.927 964 Q HN 0.868 nan 8.270 nan 0.000 0.457 965 Q N 0.423 120.080 119.800 -0.238 0.000 2.062 965 Q HA -0.137 4.203 4.340 -0.000 0.000 0.196 965 Q C 2.070 177.982 176.000 -0.147 0.000 0.967 965 Q CA 0.694 56.406 55.803 -0.151 0.000 0.832 965 Q CB 0.183 28.852 28.738 -0.115 0.000 0.899 965 Q HN 0.412 nan 8.270 nan 0.000 0.442 966 Q N 0.379 120.076 119.800 -0.172 0.000 1.967 966 Q HA -0.238 4.102 4.340 -0.000 0.000 0.210 966 Q C 2.333 178.226 176.000 -0.177 0.000 1.005 966 Q CA 1.855 57.558 55.803 -0.166 0.000 0.862 966 Q CB -0.418 28.215 28.738 -0.176 0.000 0.939 966 Q HN 0.425 nan 8.270 nan 0.000 0.417 967 L N 0.063 121.179 121.223 -0.179 0.000 2.058 967 L HA -0.289 4.051 4.340 -0.000 0.000 0.226 967 L C 2.592 179.337 176.870 -0.208 0.000 1.089 967 L CA 2.020 56.747 54.840 -0.188 0.000 0.799 967 L CB -0.624 41.353 42.059 -0.136 0.000 0.900 967 L HN 0.504 nan 8.230 nan 0.000 0.442 968 M N -1.563 117.938 119.600 -0.166 0.000 2.561 968 M HA -0.005 4.475 4.480 -0.000 0.000 0.238 968 M C 1.201 177.404 176.300 -0.162 0.000 1.131 968 M CA 1.163 56.368 55.300 -0.159 0.000 1.046 968 M CB 0.162 32.698 32.600 -0.105 0.000 1.532 968 M HN 0.156 nan 8.290 nan 0.000 0.497 969 E N 0.098 120.201 120.200 -0.160 0.000 2.453 969 E HA 0.123 4.473 4.350 -0.000 0.000 0.211 969 E C -0.276 176.245 176.600 -0.133 0.000 0.897 969 E CA 0.109 56.435 56.400 -0.123 0.000 1.063 969 E CB 0.819 30.467 29.700 -0.087 0.000 1.080 969 E HN 0.399 nan 8.360 nan 0.000 0.512 970 T N 0.912 115.358 114.554 -0.181 0.000 2.779 970 T HA 0.123 4.473 4.350 -0.000 0.000 0.296 970 T C 0.978 175.543 174.700 -0.226 0.000 0.938 970 T CA -0.107 61.882 62.100 -0.184 0.000 1.119 970 T CB 1.576 70.316 68.868 -0.213 0.000 0.891 970 T HN -0.139 nan 8.240 nan 0.000 0.526 971 S N 1.834 117.488 115.700 -0.077 0.000 2.425 971 S HA 0.025 4.495 4.470 -0.000 0.000 0.225 971 S C 0.348 174.952 174.600 0.006 0.000 1.024 971 S CA 0.738 58.950 58.200 0.019 0.000 0.951 971 S CB -0.061 63.301 63.200 0.271 0.000 0.796 971 S HN 0.734 nan 8.310 nan 0.000 0.498 972 H N -0.546 118.473 119.070 -0.086 0.000 2.690 972 H HA 0.425 4.981 4.556 -0.000 0.000 0.368 972 H C 0.789 176.086 175.328 -0.051 0.000 1.150 972 H CA -0.925 55.145 56.048 0.037 0.000 1.174 972 H CB 0.837 30.692 29.762 0.154 0.000 1.684 972 H HN -0.023 nan 8.280 nan 0.000 0.538 973 R N 1.644 122.267 120.500 0.205 0.000 2.211 973 R HA -0.201 4.139 4.340 -0.000 0.000 0.240 973 R C 1.136 177.487 176.300 0.086 0.000 1.144 973 R CA 1.938 58.103 56.100 0.109 0.000 0.992 973 R CB -0.280 30.106 30.300 0.142 0.000 0.869 973 R HN 0.833 nan 8.270 nan 0.000 0.462 974 H N 0.794 119.888 119.070 0.041 0.000 2.395 974 H HA -0.036 4.520 4.556 -0.000 0.000 0.299 974 H C 1.801 177.079 175.328 -0.084 0.000 1.070 974 H CA 1.052 57.080 56.048 -0.034 0.000 1.356 974 H CB -0.558 29.177 29.762 -0.046 0.000 1.401 974 H HN 0.327 nan 8.280 nan 0.000 0.524 975 L N 1.253 122.140 121.223 -0.560 0.000 2.622 975 L HA 0.119 4.459 4.340 -0.000 0.000 0.233 975 L C 0.657 177.430 176.870 -0.162 0.000 1.156 975 L CA 0.048 54.653 54.840 -0.391 0.000 0.866 975 L CB -0.378 41.399 42.059 -0.470 0.000 0.980 975 L HN 0.043 nan 8.230 nan 0.000 0.448 976 L N 2.415 123.557 121.223 -0.136 0.000 2.313 976 L HA 0.160 4.500 4.340 -0.000 0.000 0.282 976 L C 0.380 177.297 176.870 0.078 0.000 1.092 976 L CA -0.145 54.624 54.840 -0.119 0.000 0.831 976 L CB 0.209 42.066 42.059 -0.336 0.000 1.159 976 L HN 0.257 nan 8.230 nan 0.000 0.442 977 H N 2.834 121.976 119.070 0.121 0.000 2.457 977 H HA 0.575 5.131 4.556 -0.000 0.000 0.335 977 H C -0.416 174.950 175.328 0.064 0.000 1.115 977 H CA -1.127 54.975 56.048 0.090 0.000 1.219 977 H CB 1.405 31.174 29.762 0.012 0.000 1.471 977 H HN 0.650 nan 8.280 nan 0.000 0.491 978 A N 3.869 126.727 122.820 0.064 0.000 2.540 978 A HA 0.045 4.365 4.320 -0.000 0.000 0.239 978 A C 0.385 177.994 177.584 0.042 0.000 1.061 978 A CA -0.120 51.800 52.037 -0.195 0.000 0.758 978 A CB -0.007 18.883 19.000 -0.184 0.000 0.991 978 A HN 0.890 nan 8.150 nan 0.000 0.502 979 E N 0.798 120.968 120.200 -0.050 0.000 2.280 979 E HA 0.122 4.472 4.350 -0.000 0.000 0.261 979 E C 0.666 177.267 176.600 0.003 0.000 1.088 979 E CA -0.616 55.844 56.400 0.101 0.000 0.915 979 E CB 0.794 30.643 29.700 0.249 0.000 1.141 979 E HN 0.838 nan 8.360 nan 0.000 0.433 980 E N 0.622 120.814 120.200 -0.013 0.000 2.026 980 E HA -0.215 4.135 4.350 -0.000 0.000 0.206 980 E C 1.057 177.584 176.600 -0.120 0.000 1.028 980 E CA 1.703 58.057 56.400 -0.077 0.000 0.845 980 E CB -0.103 29.545 29.700 -0.086 0.000 0.772 980 E HN 0.568 nan 8.360 nan 0.000 0.462 981 G N -1.237 107.444 108.800 -0.199 0.000 3.227 981 G HA2 0.196 4.156 3.960 -0.000 0.000 0.171 981 G HA3 0.196 4.156 3.960 -0.000 0.000 0.171 981 G C -0.583 174.236 174.900 -0.134 0.000 1.463 981 G CA -0.139 44.851 45.100 -0.183 0.000 1.016 981 G HN 0.137 nan 8.290 nan 0.000 0.594 982 T N 0.916 115.410 114.554 -0.100 0.000 2.864 982 T HA 0.328 4.678 4.350 -0.000 0.000 0.310 982 T C -0.961 173.755 174.700 0.025 0.000 1.040 982 T CA -0.220 61.907 62.100 0.045 0.000 0.977 982 T CB 0.665 69.730 68.868 0.329 0.000 0.976 982 T HN 0.323 nan 8.240 nan 0.000 0.459 983 W N 2.771 124.045 121.300 -0.044 0.000 2.093 983 W HA 0.580 5.240 4.660 -0.000 0.000 0.352 983 W C -0.046 176.429 176.519 -0.074 0.000 1.294 983 W CA -0.471 56.843 57.345 -0.051 0.000 1.290 983 W CB 0.470 29.896 29.460 -0.056 0.000 1.149 983 W HN 0.370 nan 8.180 nan 0.000 0.606 984 L N 2.744 124.127 121.223 0.267 0.000 2.641 984 L HA 0.346 4.686 4.340 -0.000 0.000 0.261 984 L C -1.581 175.292 176.870 0.005 0.000 0.926 984 L CA -0.721 54.140 54.840 0.035 0.000 0.917 984 L CB 1.191 43.177 42.059 -0.121 0.000 1.361 984 L HN 0.529 nan 8.230 nan 0.000 0.417 985 N N 6.969 125.636 118.700 -0.055 0.000 2.354 985 N HA 0.597 5.337 4.740 -0.000 0.000 0.287 985 N C -1.286 174.157 175.510 -0.113 0.000 1.016 985 N CA -0.647 52.350 53.050 -0.087 0.000 0.871 985 N CB 2.493 40.923 38.487 -0.095 0.000 1.299 985 N HN 0.452 nan 8.380 nan 0.000 0.482 986 I N 1.376 121.844 120.570 -0.169 0.000 2.382 986 I HA 0.244 4.414 4.170 -0.000 0.000 0.285 986 I C -0.646 175.355 176.117 -0.193 0.000 1.007 986 I CA -0.536 60.650 61.300 -0.189 0.000 1.142 986 I CB 1.489 39.243 38.000 -0.410 0.000 1.289 986 I HN 0.338 nan 8.210 nan 0.000 0.453 987 D N 4.620 124.922 120.400 -0.163 0.000 2.198 987 D HA 0.261 4.901 4.640 -0.000 0.000 0.245 987 D C 0.906 176.918 176.300 -0.479 0.000 1.079 987 D CA -0.073 53.734 54.000 -0.321 0.000 0.854 987 D CB 2.965 43.619 40.800 -0.243 0.000 1.148 987 D HN 0.743 nan 8.370 nan 0.000 0.456 988 G N 1.593 109.808 108.800 -0.975 0.000 2.492 988 G HA2 0.027 3.987 3.960 -0.000 0.000 0.214 988 G HA3 0.027 3.987 3.960 -0.000 0.000 0.214 988 G C 0.106 174.020 174.900 -1.644 0.000 1.147 988 G CA 0.214 44.467 45.100 -1.411 0.000 0.809 988 G HN 0.379 nan 8.290 nan 0.000 0.533 989 F N -0.226 119.524 119.950 -0.333 0.000 2.607 989 F HA 0.462 4.989 4.527 -0.000 0.000 0.322 989 F C -0.876 174.774 175.800 -0.249 0.000 1.176 989 F CA -1.315 56.547 58.000 -0.230 0.000 0.977 989 F CB 1.766 40.577 39.000 -0.314 0.000 1.242 989 F HN -0.093 nan 8.300 nan 0.000 0.465 990 H N 4.398 123.436 119.070 -0.053 0.000 2.547 990 H HA 0.452 5.008 4.556 -0.000 0.000 0.342 990 H C -0.691 174.630 175.328 -0.012 0.000 1.048 990 H CA -0.948 55.047 56.048 -0.089 0.000 1.204 990 H CB 2.019 31.675 29.762 -0.176 0.000 1.493 990 H HN 0.857 nan 8.280 nan 0.000 0.511 991 M N 3.697 123.523 119.600 0.378 0.000 2.245 991 M HA 0.311 4.791 4.480 -0.000 0.000 0.344 991 M C 0.340 176.764 176.300 0.207 0.000 1.170 991 M CA 0.100 55.535 55.300 0.225 0.000 1.135 991 M CB 0.493 33.117 32.600 0.040 0.000 1.574 991 M HN 0.672 nan 8.290 nan 0.000 0.452 992 G N 3.958 112.835 108.800 0.129 0.000 2.647 992 G HA2 0.161 4.121 3.960 -0.000 0.000 0.234 992 G HA3 0.161 4.121 3.960 -0.000 0.000 0.234 992 G C 0.743 175.595 174.900 -0.079 0.000 1.252 992 G CA -0.153 44.935 45.100 -0.020 0.000 0.846 992 G HN 1.052 nan 8.290 nan 0.000 0.589 993 I N -0.269 120.206 120.570 -0.158 0.000 2.703 993 I HA 0.295 4.465 4.170 -0.000 0.000 0.259 993 I C 1.466 177.480 176.117 -0.173 0.000 1.151 993 I CA 0.821 61.992 61.300 -0.214 0.000 1.470 993 I CB -0.798 36.977 38.000 -0.376 0.000 1.112 993 I HN 0.933 nan 8.210 nan 0.000 0.437 994 G N 1.763 110.473 108.800 -0.150 0.000 2.547 994 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.271 994 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.271 994 G C 0.736 175.586 174.900 -0.083 0.000 1.209 994 G CA 0.399 45.445 45.100 -0.090 0.000 0.959 994 G HN 1.707 nan 8.290 nan 0.000 0.563 995 G N -1.891 106.861 108.800 -0.080 0.000 2.288 995 G HA2 0.049 4.009 3.960 -0.000 0.000 0.205 995 G HA3 0.049 4.009 3.960 -0.000 0.000 0.205 995 G C 0.266 175.140 174.900 -0.044 0.000 1.071 995 G CA 1.019 46.067 45.100 -0.087 0.000 0.788 995 G HN 1.099 nan 8.290 nan 0.000 0.491 996 D N 0.668 121.033 120.400 -0.059 0.000 2.349 996 D HA 0.335 4.975 4.640 -0.000 0.000 0.224 996 D C 1.070 177.235 176.300 -0.224 0.000 1.029 996 D CA 1.457 55.467 54.000 0.017 0.000 0.879 996 D CB 0.298 41.129 40.800 0.052 0.000 0.906 996 D HN 0.906 nan 8.370 nan 0.000 0.528 997 D N -3.778 116.317 120.400 -0.508 0.000 3.035 997 D HA 0.087 4.727 4.640 -0.000 0.000 0.341 997 D C -0.846 174.751 176.300 -1.172 0.000 1.425 997 D CA -0.632 52.610 54.000 -1.264 0.000 0.767 997 D CB 0.052 39.766 40.800 -1.811 0.000 1.360 997 D HN -0.257 nan 8.370 nan 0.000 0.469 998 S N -1.187 113.418 115.700 -1.826 0.000 2.924 998 S HA 0.293 4.763 4.470 -0.000 0.000 0.244 998 S C -0.922 173.801 174.600 0.205 0.000 0.842 998 S CA -0.578 57.369 58.200 -0.421 0.000 1.086 998 S CB -0.416 62.839 63.200 0.092 0.000 1.295 998 S HN 0.579 nan 8.310 nan 0.000 0.500 999 W N 1.055 122.291 121.300 -0.107 0.000 1.762 999 W HA 0.548 5.208 4.660 -0.000 0.000 0.260 999 W C 0.100 176.572 176.519 -0.078 0.000 0.846 999 W CA -0.474 56.819 57.345 -0.085 0.000 1.326 999 W CB -0.325 29.017 29.460 -0.196 0.000 1.010 999 W HN 0.244 nan 8.180 nan 0.000 0.482 1000 S N -0.757 114.802 115.700 -0.234 0.000 2.552 1000 S HA 0.527 4.997 4.470 -0.000 0.000 0.272 1000 S C -3.145 171.346 174.600 -0.182 0.000 1.150 1000 S CA -1.535 56.552 58.200 -0.190 0.000 0.849 1000 S CB 1.540 64.633 63.200 -0.179 0.000 1.113 1000 S HN -0.191 nan 8.310 nan 0.000 0.458 1001 P HA 0.188 nan 4.420 nan 0.000 0.261 1001 P C 0.131 177.405 177.300 -0.044 0.000 1.183 1001 P CA 0.112 63.172 63.100 -0.067 0.000 0.761 1001 P CB 0.424 31.984 31.700 -0.234 0.000 0.785 1002 S N 1.095 116.805 115.700 0.017 0.000 2.825 1002 S HA 0.311 4.781 4.470 -0.000 0.000 0.242 1002 S C -0.377 174.246 174.600 0.039 0.000 0.980 1002 S CA -0.512 57.678 58.200 -0.016 0.000 1.107 1002 S CB -0.515 62.619 63.200 -0.109 0.000 1.172 1002 S HN 0.117 nan 8.310 nan 0.000 0.483 1003 V N 3.076 123.061 119.914 0.118 0.000 2.407 1003 V HA 0.600 4.720 4.120 -0.000 0.000 0.291 1003 V C 0.487 176.696 176.094 0.191 0.000 1.018 1003 V CA -0.564 61.816 62.300 0.133 0.000 0.842 1003 V CB 1.557 33.438 31.823 0.097 0.000 0.996 1003 V HN 0.717 nan 8.190 nan 0.000 0.426 1004 S N 4.257 120.098 115.700 0.236 0.000 2.572 1004 S HA 0.388 4.858 4.470 -0.000 0.000 0.279 1004 S C 1.600 176.313 174.600 0.188 0.000 1.341 1004 S CA 0.136 58.464 58.200 0.215 0.000 1.043 1004 S CB 1.508 64.794 63.200 0.144 0.000 0.887 1004 S HN 1.279 nan 8.310 nan 0.000 0.516 1005 A N 2.475 125.353 122.820 0.096 0.000 1.969 1005 A HA -0.265 4.055 4.320 -0.000 0.000 0.223 1005 A C 1.797 179.378 177.584 -0.005 0.000 1.218 1005 A CA 2.342 54.414 52.037 0.058 0.000 0.667 1005 A CB -1.352 17.666 19.000 0.029 0.000 0.826 1005 A HN 0.992 nan 8.150 nan 0.000 0.472 1006 E N -1.375 118.748 120.200 -0.130 0.000 2.515 1006 E HA -0.005 4.345 4.350 -0.000 0.000 0.201 1006 E C 0.660 176.836 176.600 -0.707 0.000 1.071 1006 E CA 0.771 56.929 56.400 -0.404 0.000 0.880 1006 E CB -0.315 29.022 29.700 -0.606 0.000 0.828 1006 E HN 0.757 nan 8.360 nan 0.000 0.540 1007 F N 0.387 120.378 119.950 0.068 0.000 2.728 1007 F HA 0.210 4.737 4.527 -0.000 0.000 0.314 1007 F C 0.509 176.350 175.800 0.068 0.000 1.094 1007 F CA -0.393 57.646 58.000 0.064 0.000 1.217 1007 F CB 0.347 39.373 39.000 0.044 0.000 1.056 1007 F HN -0.147 nan 8.300 nan 0.000 0.577 1008 Q N 1.704 121.618 119.800 0.190 0.000 2.293 1008 Q HA 0.407 4.747 4.340 -0.000 0.000 0.251 1008 Q C -0.438 175.702 176.000 0.233 0.000 0.930 1008 Q CA -0.363 55.551 55.803 0.185 0.000 0.893 1008 Q CB 1.619 30.460 28.738 0.172 0.000 1.215 1008 Q HN 0.194 nan 8.270 nan 0.000 0.425 1009 L N 2.344 123.701 121.223 0.224 0.000 2.363 1009 L HA 0.113 4.453 4.340 -0.000 0.000 0.286 1009 L C 0.629 177.709 176.870 0.350 0.000 1.106 1009 L CA -0.041 54.912 54.840 0.189 0.000 0.859 1009 L CB 0.094 42.072 42.059 -0.135 0.000 1.223 1009 L HN 0.800 nan 8.230 nan 0.000 0.446 1010 S N 0.128 116.049 115.700 0.369 0.000 2.787 1010 S HA 0.164 4.634 4.470 -0.000 0.000 0.255 1010 S C 1.464 176.105 174.600 0.067 0.000 1.051 1010 S CA 0.203 58.523 58.200 0.199 0.000 1.124 1010 S CB 0.763 64.188 63.200 0.375 0.000 1.104 1010 S HN 0.553 nan 8.310 nan 0.000 0.623 1011 A N 1.871 124.713 122.820 0.037 0.000 1.972 1011 A HA 0.436 4.756 4.320 -0.000 0.000 0.219 1011 A C 2.128 179.549 177.584 -0.271 0.000 1.169 1011 A CA 1.776 53.653 52.037 -0.267 0.000 0.635 1011 A CB -1.258 17.414 19.000 -0.547 0.000 0.810 1011 A HN 1.641 nan 8.150 nan 0.000 0.446 1012 G N -1.932 106.748 108.800 -0.200 0.000 2.399 1012 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.216 1012 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.216 1012 G C 0.434 175.258 174.900 -0.126 0.000 1.096 1012 G CA 0.185 45.224 45.100 -0.103 0.000 0.650 1012 G HN 0.613 nan 8.290 nan 0.000 0.512 1013 R N 0.119 120.416 120.500 -0.340 0.000 2.409 1013 R HA 0.606 4.946 4.340 -0.000 0.000 0.313 1013 R C -1.396 174.572 176.300 -0.553 0.000 0.953 1013 R CA -0.516 55.428 56.100 -0.260 0.000 0.849 1013 R CB 1.176 31.384 30.300 -0.154 0.000 1.171 1013 R HN 0.240 nan 8.270 nan 0.000 0.458 1014 Y N 0.760 121.042 120.300 -0.031 0.000 2.420 1014 Y HA 0.339 4.889 4.550 -0.000 0.000 0.334 1014 Y C 0.025 176.074 175.900 0.247 0.000 1.094 1014 Y CA -0.595 57.464 58.100 -0.069 0.000 1.126 1014 Y CB 1.753 40.111 38.460 -0.169 0.000 1.217 1014 Y HN 0.542 nan 8.280 nan 0.000 0.462 1015 H N 2.773 122.101 119.070 0.429 0.000 2.856 1015 H HA 0.525 5.081 4.556 -0.000 0.000 0.355 1015 H C -1.834 173.920 175.328 0.710 0.000 1.079 1015 H CA -0.804 55.521 56.048 0.462 0.000 1.240 1015 H CB 1.020 30.918 29.762 0.225 0.000 1.701 1015 H HN 0.548 nan 8.280 nan 0.000 0.527 1016 Y N 1.557 121.752 120.300 -0.176 0.000 2.597 1016 Y HA 0.590 5.140 4.550 -0.000 0.000 0.340 1016 Y C -1.721 174.008 175.900 -0.285 0.000 1.097 1016 Y CA -1.158 56.868 58.100 -0.123 0.000 1.037 1016 Y CB 1.471 39.889 38.460 -0.071 0.000 1.305 1016 Y HN 0.651 nan 8.280 nan 0.000 0.463 1017 Q N 2.135 121.920 119.800 -0.025 0.000 2.347 1017 Q HA 0.709 5.049 4.340 -0.000 0.000 0.271 1017 Q C -1.787 174.263 176.000 0.084 0.000 1.064 1017 Q CA -0.736 55.041 55.803 -0.044 0.000 0.800 1017 Q CB 3.144 31.922 28.738 0.066 0.000 1.304 1017 Q HN 0.820 nan 8.270 nan 0.000 0.438 1018 L N 1.872 123.120 121.223 0.041 0.000 2.354 1018 L HA 0.688 5.028 4.340 -0.000 0.000 0.264 1018 L C -1.192 175.756 176.870 0.130 0.000 1.008 1018 L CA -1.034 53.858 54.840 0.088 0.000 0.819 1018 L CB 2.318 44.406 42.059 0.049 0.000 1.339 1018 L HN 0.405 nan 8.230 nan 0.000 0.420 1019 V N 2.362 122.384 119.914 0.179 0.000 2.315 1019 V HA 0.152 4.272 4.120 -0.000 0.000 0.265 1019 V C -0.635 175.607 176.094 0.247 0.000 1.019 1019 V CA -0.486 61.931 62.300 0.195 0.000 0.824 1019 V CB 1.105 33.028 31.823 0.166 0.000 1.072 1019 V HN 0.573 nan 8.190 nan 0.000 0.448 1020 W N 5.516 126.838 121.300 0.037 0.000 2.381 1020 W HA 0.440 5.100 4.660 -0.000 0.000 0.321 1020 W C 0.176 176.630 176.519 -0.109 0.000 1.407 1020 W CA -0.248 57.021 57.345 -0.127 0.000 1.274 1020 W CB 0.952 30.345 29.460 -0.113 0.000 1.310 1020 W HN 0.670 nan 8.180 nan 0.000 0.551 1021 C N 6.046 125.560 119.300 0.357 0.000 3.318 1021 C HA 0.804 5.264 4.460 -0.000 0.000 0.329 1021 C C -0.608 174.417 174.990 0.059 0.000 1.449 1021 C CA -0.389 58.726 59.018 0.162 0.000 1.397 1021 C CB 1.402 29.214 27.740 0.121 0.000 1.810 1021 C HN 0.676 nan 8.230 nan 0.000 0.449 1022 Q N 0.590 120.371 119.800 -0.032 0.000 3.022 1022 Q HA 0.832 5.172 4.340 -0.000 0.000 0.313 1022 Q C -1.211 174.750 176.000 -0.065 0.000 1.018 1022 Q CA -0.488 55.236 55.803 -0.130 0.000 0.799 1022 Q CB 1.873 30.471 28.738 -0.234 0.000 1.498 1022 Q HN 0.792 nan 8.270 nan 0.000 0.494 1023 K N 0.000 120.348 120.400 -0.086 0.000 2.780 1023 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1023 K CA 0.000 56.262 56.287 -0.042 0.000 0.838 1023 K CB 0.000 32.495 32.500 -0.008 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543