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 1jyn_1_B DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCQYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.097 176.300 -0.338 0.000 0.893 13 R CA 0.000 55.974 56.100 -0.210 0.000 0.921 13 R CB 0.000 30.179 30.300 -0.202 0.000 0.687 14 R N 1.907 122.091 120.500 -0.526 0.000 3.158 14 R HA -0.170 4.185 4.340 0.024 0.000 0.244 14 R C -0.302 175.495 176.300 -0.838 0.000 0.900 14 R CA 0.924 56.284 56.100 -1.234 0.000 0.618 14 R CB -1.461 28.172 30.300 -1.112 0.000 1.061 14 R HN 0.224 nan 8.270 nan 0.000 0.471 15 D N 0.135 120.251 120.400 -0.472 0.000 2.309 15 D HA -0.158 4.497 4.640 0.024 0.000 0.212 15 D C 1.582 177.799 176.300 -0.139 0.000 0.968 15 D CA 1.551 55.335 54.000 -0.360 0.000 0.882 15 D CB -0.101 40.297 40.800 -0.670 0.000 0.918 15 D HN 0.756 nan 8.370 nan 0.000 0.503 16 W N 1.213 122.505 121.300 -0.014 0.000 3.377 16 W HA 0.231 4.906 4.660 0.024 0.000 0.277 16 W C 0.195 176.802 176.519 0.145 0.000 1.311 16 W CA -0.358 57.091 57.345 0.174 0.000 1.703 16 W CB -0.186 29.431 29.460 0.262 0.000 1.095 16 W HN -0.213 nan 8.180 nan 0.000 0.715 17 E N 1.519 121.615 120.200 -0.173 0.000 4.017 17 E HA 0.062 4.427 4.350 0.024 0.000 0.205 17 E C -0.907 175.548 176.600 -0.241 0.000 1.054 17 E CA -0.250 56.060 56.400 -0.151 0.000 1.398 17 E CB -0.149 29.433 29.700 -0.196 0.000 1.164 17 E HN 0.041 nan 8.360 nan 0.000 0.445 18 N N 1.070 119.664 118.700 -0.178 0.000 2.812 18 N HA 0.121 4.876 4.740 0.024 0.000 0.262 18 N C -2.507 172.868 175.510 -0.224 0.000 1.241 18 N CA -1.694 51.215 53.050 -0.234 0.000 0.854 18 N CB 1.414 39.775 38.487 -0.210 0.000 1.506 18 N HN -0.149 nan 8.380 nan 0.000 0.576 19 P HA 0.103 nan 4.420 nan 0.000 0.234 19 P C 1.087 178.163 177.300 -0.373 0.000 1.167 19 P CA 0.559 63.351 63.100 -0.513 0.000 0.763 19 P CB 0.092 31.023 31.700 -1.281 0.000 0.835 20 G N -0.576 108.045 108.800 -0.299 0.000 2.712 20 G HA2 0.055 4.030 3.960 0.024 0.000 0.212 20 G HA3 0.055 4.030 3.960 0.024 0.000 0.212 20 G C 0.246 175.069 174.900 -0.127 0.000 1.142 20 G CA 0.200 45.172 45.100 -0.214 0.000 0.789 20 G HN 0.210 nan 8.290 nan 0.000 0.535 21 V N 1.669 121.525 119.914 -0.096 0.000 2.325 21 V HA 0.269 4.404 4.120 0.024 0.000 0.280 21 V C 0.856 177.004 176.094 0.090 0.000 1.016 21 V CA 0.089 62.380 62.300 -0.015 0.000 0.818 21 V CB 1.219 33.008 31.823 -0.055 0.000 1.019 21 V HN 0.327 nan 8.190 nan 0.000 0.434 22 T N 0.675 115.281 114.554 0.086 0.000 3.040 22 T HA 0.353 4.717 4.350 0.024 0.000 0.250 22 T C 0.281 175.052 174.700 0.119 0.000 1.058 22 T CA 0.126 62.291 62.100 0.108 0.000 0.988 22 T CB 0.284 69.165 68.868 0.022 0.000 0.993 22 T HN 0.684 nan 8.240 nan 0.000 0.519 23 Q N 0.153 120.065 119.800 0.187 0.000 2.776 23 Q HA 0.682 5.036 4.340 0.024 0.000 0.289 23 Q C -2.239 173.905 176.000 0.240 0.000 0.912 23 Q CA -1.047 54.856 55.803 0.166 0.000 0.789 23 Q CB 0.850 29.601 28.738 0.022 0.000 1.498 23 Q HN 0.218 nan 8.270 nan 0.000 0.408 24 L N 1.550 122.935 121.223 0.270 0.000 2.470 24 L HA 0.603 4.957 4.340 0.024 0.000 0.268 24 L C -0.614 176.382 176.870 0.210 0.000 0.964 24 L CA -0.849 54.150 54.840 0.266 0.000 0.839 24 L CB 1.967 44.291 42.059 0.441 0.000 1.276 24 L HN 0.837 nan 8.230 nan 0.000 0.403 25 N N 0.766 119.564 118.700 0.162 0.000 2.828 25 N HA -0.209 4.545 4.740 0.024 0.000 0.248 25 N C 0.211 175.835 175.510 0.190 0.000 1.044 25 N CA 0.884 54.022 53.050 0.147 0.000 0.851 25 N CB -0.765 37.750 38.487 0.046 0.000 1.136 25 N HN 0.670 nan 8.380 nan 0.000 0.572 26 R N 0.998 121.542 120.500 0.072 0.000 2.490 26 R HA 0.388 4.742 4.340 0.024 0.000 0.280 26 R C 0.425 176.608 176.300 -0.195 0.000 1.077 26 R CA -0.301 55.620 56.100 -0.299 0.000 1.065 26 R CB 0.531 30.650 30.300 -0.301 0.000 1.003 26 R HN 0.128 nan 8.270 nan 0.000 0.470 27 L N 2.969 124.048 121.223 -0.240 0.000 2.456 27 L HA 0.344 4.698 4.340 0.024 0.000 0.257 27 L C 0.606 177.431 176.870 -0.075 0.000 1.162 27 L CA -0.664 54.120 54.840 -0.093 0.000 0.808 27 L CB 1.085 43.109 42.059 -0.058 0.000 1.136 27 L HN 0.814 nan 8.230 nan 0.000 0.466 28 A N 1.443 124.259 122.820 -0.008 0.000 2.520 28 A HA 0.431 4.766 4.320 0.024 0.000 0.235 28 A C 0.263 177.860 177.584 0.022 0.000 1.065 28 A CA 0.096 52.138 52.037 0.007 0.000 0.764 28 A CB 0.107 19.138 19.000 0.050 0.000 1.002 28 A HN 0.782 nan 8.150 nan 0.000 0.502 29 A N 1.426 124.210 122.820 -0.059 0.000 2.322 29 A HA 0.699 5.033 4.320 0.024 0.000 0.269 29 A C 0.067 177.567 177.584 -0.139 0.000 1.094 29 A CA 0.370 52.294 52.037 -0.188 0.000 0.807 29 A CB -0.002 18.882 19.000 -0.192 0.000 1.047 29 A HN 1.828 nan 8.150 nan 0.000 0.487 30 H N -1.866 117.053 119.070 -0.251 0.000 2.917 30 H HA 0.659 5.230 4.556 0.024 0.000 0.299 30 H C -3.384 171.665 175.328 -0.464 0.000 1.418 30 H CA -1.847 53.994 56.048 -0.345 0.000 1.138 30 H CB 0.158 29.619 29.762 -0.502 0.000 1.830 30 H HN 0.375 nan 8.280 nan 0.000 0.514 31 P HA 0.227 nan 4.420 nan 0.000 0.274 31 P C -2.600 174.540 177.300 -0.266 0.000 1.256 31 P CA -1.494 61.411 63.100 -0.325 0.000 0.795 31 P CB -0.206 31.232 31.700 -0.437 0.000 1.038 32 P HA 0.055 nan 4.420 nan 0.000 0.261 32 P C -0.850 176.636 177.300 0.310 0.000 1.183 32 P CA 1.035 64.169 63.100 0.056 0.000 0.761 32 P CB -0.097 31.683 31.700 0.134 0.000 0.785 33 F N 1.684 121.742 119.950 0.179 0.000 2.575 33 F HA 0.654 5.196 4.527 0.024 0.000 0.330 33 F C 0.948 176.683 175.800 -0.109 0.000 1.056 33 F CA -1.466 56.580 58.000 0.078 0.000 0.964 33 F CB 1.294 40.295 39.000 0.001 0.000 1.258 33 F HN 0.304 nan 8.300 nan 0.000 0.484 34 A N -0.176 122.585 122.820 -0.098 0.000 2.710 34 A HA 0.322 4.657 4.320 0.024 0.000 0.212 34 A C 0.599 177.875 177.584 -0.513 0.000 1.358 34 A CA 0.600 52.327 52.037 -0.516 0.000 1.048 34 A CB -0.353 17.832 19.000 -1.357 0.000 1.345 34 A HN 0.837 nan 8.150 nan 0.000 0.583 35 S N 0.626 116.138 115.700 -0.314 0.000 3.447 35 S HA -0.151 4.334 4.470 0.024 0.000 0.371 35 S C 0.029 174.548 174.600 -0.136 0.000 0.951 35 S CA 0.461 58.539 58.200 -0.204 0.000 1.269 35 S CB -1.515 61.572 63.200 -0.189 0.000 0.919 35 S HN 0.464 nan 8.310 nan 0.000 0.516 36 W N 1.772 123.052 121.300 -0.033 0.000 2.158 36 W HA 0.233 4.907 4.660 0.024 0.000 0.339 36 W C 1.332 177.826 176.519 -0.041 0.000 1.294 36 W CA -0.532 56.797 57.345 -0.026 0.000 1.231 36 W CB 0.232 29.678 29.460 -0.024 0.000 1.143 36 W HN 0.331 nan 8.180 nan 0.000 0.571 37 R N 1.958 122.577 120.500 0.199 0.000 2.613 37 R HA 0.099 4.454 4.340 0.024 0.000 0.361 37 R C -0.123 176.227 176.300 0.083 0.000 1.072 37 R CA -0.153 56.007 56.100 0.099 0.000 1.089 37 R CB -0.244 30.082 30.300 0.044 0.000 1.343 37 R HN 0.362 nan 8.270 nan 0.000 0.571 38 N N -0.067 118.695 118.700 0.102 0.000 2.478 38 N HA 0.106 4.860 4.740 0.024 0.000 0.291 38 N C -0.204 175.273 175.510 -0.054 0.000 1.090 38 N CA -0.027 53.035 53.050 0.019 0.000 0.911 38 N CB 1.855 40.352 38.487 0.018 0.000 1.546 38 N HN -0.243 nan 8.380 nan 0.000 0.500 39 S N 2.229 117.875 115.700 -0.090 0.000 2.428 39 S HA -0.128 4.356 4.470 0.024 0.000 0.230 39 S C 1.382 175.809 174.600 -0.288 0.000 1.014 39 S CA 0.865 58.969 58.200 -0.160 0.000 0.957 39 S CB 0.090 63.224 63.200 -0.109 0.000 0.784 39 S HN 0.754 nan 8.310 nan 0.000 0.499 40 E N 1.753 121.795 120.200 -0.263 0.000 2.152 40 E HA -0.095 4.269 4.350 0.024 0.000 0.192 40 E C 1.825 178.194 176.600 -0.385 0.000 0.983 40 E CA 0.963 57.166 56.400 -0.329 0.000 0.818 40 E CB -0.100 29.463 29.700 -0.228 0.000 0.758 40 E HN 0.262 nan 8.360 nan 0.000 0.467 41 E N 0.211 120.193 120.200 -0.364 0.000 2.106 41 E HA -0.127 4.238 4.350 0.024 0.000 0.192 41 E C 1.957 177.929 176.600 -1.046 0.000 0.984 41 E CA 1.091 57.220 56.400 -0.451 0.000 0.806 41 E CB -0.330 29.236 29.700 -0.222 0.000 0.750 41 E HN 0.396 nan 8.360 nan 0.000 0.458 42 A N 1.458 123.506 122.820 -1.286 0.000 1.929 42 A HA -0.149 4.185 4.320 0.024 0.000 0.216 42 A C 2.213 179.194 177.584 -1.005 0.000 1.176 42 A CA 1.346 52.272 52.037 -1.852 0.000 0.628 42 A CB -0.430 18.022 19.000 -0.913 0.000 0.816 42 A HN 0.098 nan 8.150 nan 0.000 0.444 43 R N -0.070 120.029 120.500 -0.668 0.000 2.081 43 R HA -0.135 4.219 4.340 0.024 0.000 0.235 43 R C 1.899 177.943 176.300 -0.427 0.000 1.131 43 R CA 2.058 57.828 56.100 -0.549 0.000 0.960 43 R CB -0.415 29.441 30.300 -0.741 0.000 0.856 43 R HN 0.624 nan 8.270 nan 0.000 0.436 44 T N -2.661 111.648 114.554 -0.407 0.000 3.129 44 T HA 0.043 4.408 4.350 0.024 0.000 0.251 44 T C 0.252 174.855 174.700 -0.162 0.000 1.117 44 T CA 0.483 62.435 62.100 -0.246 0.000 1.034 44 T CB 0.081 68.831 68.868 -0.198 0.000 0.968 44 T HN 0.333 nan 8.240 nan 0.000 0.526 45 D N 0.845 121.101 120.400 -0.240 0.000 2.870 45 D HA -0.156 4.498 4.640 0.024 0.000 0.228 45 D C 0.006 176.422 176.300 0.195 0.000 1.147 45 D CA 0.429 54.447 54.000 0.031 0.000 0.757 45 D CB -1.153 39.712 40.800 0.108 0.000 1.091 45 D HN 0.591 nan 8.370 nan 0.000 0.429 46 R N 0.061 120.644 120.500 0.138 0.000 2.577 46 R HA 0.510 4.864 4.340 0.024 0.000 0.269 46 R C -2.133 174.422 176.300 0.426 0.000 1.084 46 R CA -1.434 54.796 56.100 0.216 0.000 1.163 46 R CB 0.296 30.657 30.300 0.103 0.000 1.100 46 R HN 0.056 nan 8.270 nan 0.000 0.547 47 P HA -0.037 nan 4.420 nan 0.000 0.266 47 P C -0.825 176.632 177.300 0.263 0.000 1.195 47 P CA 0.201 63.441 63.100 0.232 0.000 0.768 47 P CB 0.849 32.636 31.700 0.146 0.000 0.838 48 S N 1.865 117.629 115.700 0.107 0.000 2.451 48 S HA 0.121 4.606 4.470 0.024 0.000 0.301 48 S C 1.010 175.630 174.600 0.034 0.000 1.116 48 S CA -0.568 57.624 58.200 -0.014 0.000 1.093 48 S CB 0.464 63.344 63.200 -0.533 0.000 1.017 48 S HN 0.254 nan 8.310 nan 0.000 0.482 49 Q N 2.699 122.548 119.800 0.083 0.000 2.364 49 Q HA -0.037 4.318 4.340 0.024 0.000 0.207 49 Q C 0.712 176.809 176.000 0.162 0.000 0.970 49 Q CA 1.020 56.899 55.803 0.127 0.000 0.888 49 Q CB -0.076 28.735 28.738 0.123 0.000 0.951 49 Q HN 0.697 nan 8.270 nan 0.000 0.469 50 Q N -0.072 119.738 119.800 0.017 0.000 2.320 50 Q HA 0.140 4.495 4.340 0.024 0.000 0.201 50 Q C -0.402 175.645 176.000 0.079 0.000 0.910 50 Q CA 0.101 55.862 55.803 -0.070 0.000 0.946 50 Q CB 0.398 29.006 28.738 -0.216 0.000 1.062 50 Q HN 0.036 nan 8.270 nan 0.000 0.503 51 L N 0.678 121.974 121.223 0.120 0.000 2.377 51 L HA 0.449 4.804 4.340 0.024 0.000 0.270 51 L C -1.182 175.787 176.870 0.165 0.000 0.991 51 L CA -0.417 54.498 54.840 0.125 0.000 0.851 51 L CB 1.044 43.085 42.059 -0.029 0.000 1.218 51 L HN -0.092 nan 8.230 nan 0.000 0.420 52 R N 2.468 123.096 120.500 0.213 0.000 2.532 52 R HA 0.594 4.948 4.340 0.024 0.000 0.295 52 R C -0.434 175.879 176.300 0.023 0.000 0.968 52 R CA -0.706 55.450 56.100 0.092 0.000 0.916 52 R CB 1.902 32.197 30.300 -0.008 0.000 1.124 52 R HN 0.639 nan 8.270 nan 0.000 0.463 53 S N 2.213 117.918 115.700 0.009 0.000 2.513 53 S HA 0.243 4.728 4.470 0.024 0.000 0.276 53 S C 0.615 175.201 174.600 -0.024 0.000 1.254 53 S CA -0.654 57.542 58.200 -0.007 0.000 1.053 53 S CB 0.431 63.640 63.200 0.015 0.000 0.958 53 S HN 0.552 nan 8.310 nan 0.000 0.491 54 L N 3.843 125.046 121.223 -0.034 0.000 2.741 54 L HA 0.293 4.647 4.340 0.024 0.000 0.237 54 L C 0.299 177.290 176.870 0.202 0.000 1.178 54 L CA -0.410 54.423 54.840 -0.011 0.000 0.973 54 L CB -0.392 41.596 42.059 -0.120 0.000 1.255 54 L HN 0.507 nan 8.230 nan 0.000 0.498 55 N N 1.293 120.069 118.700 0.127 0.000 2.453 55 N HA 0.473 5.228 4.740 0.024 0.000 0.253 55 N C 0.666 176.298 175.510 0.203 0.000 1.252 55 N CA 1.019 54.157 53.050 0.147 0.000 0.917 55 N CB 1.232 39.744 38.487 0.041 0.000 1.117 55 N HN 0.299 nan 8.380 nan 0.000 0.442 56 G N 0.206 109.148 108.800 0.236 0.000 2.247 56 G HA2 -0.087 3.888 3.960 0.024 0.000 0.229 56 G HA3 -0.087 3.888 3.960 0.024 0.000 0.229 56 G C -1.536 173.562 174.900 0.331 0.000 1.345 56 G CA -0.805 44.422 45.100 0.212 0.000 1.100 56 G HN 0.467 nan 8.290 nan 0.000 0.473 57 E N 0.193 120.550 120.200 0.262 0.000 2.180 57 E HA 0.418 4.782 4.350 0.024 0.000 0.283 57 E C -0.870 175.954 176.600 0.372 0.000 1.061 57 E CA -0.034 56.535 56.400 0.282 0.000 0.861 57 E CB 0.851 30.643 29.700 0.154 0.000 1.056 57 E HN 0.343 nan 8.360 nan 0.000 0.407 58 W N 1.804 123.193 121.300 0.149 0.000 2.804 58 W HA 0.402 5.077 4.660 0.024 0.000 0.352 58 W C 0.309 176.959 176.519 0.219 0.000 1.153 58 W CA -0.699 56.767 57.345 0.202 0.000 1.119 58 W CB 0.752 30.392 29.460 0.299 0.000 1.448 58 W HN 0.191 nan 8.180 nan 0.000 0.600 59 R N 1.199 121.991 120.500 0.488 0.000 2.604 59 R HA 0.638 4.993 4.340 0.024 0.000 0.287 59 R C -1.557 175.010 176.300 0.444 0.000 0.970 59 R CA -0.964 55.357 56.100 0.368 0.000 0.946 59 R CB 1.516 31.973 30.300 0.262 0.000 1.127 59 R HN 0.478 nan 8.270 nan 0.000 0.473 60 F N 0.067 120.065 119.950 0.080 0.000 2.608 60 F HA 0.616 5.158 4.527 0.024 0.000 0.309 60 F C -1.628 174.016 175.800 -0.260 0.000 1.103 60 F CA -0.588 57.312 58.000 -0.168 0.000 0.954 60 F CB 1.986 40.771 39.000 -0.358 0.000 1.267 60 F HN 0.623 nan 8.300 nan 0.000 0.444 61 A N 4.271 126.361 122.820 -1.216 0.000 2.422 61 A HA 0.589 4.924 4.320 0.024 0.000 0.302 61 A C -2.357 174.230 177.584 -1.662 0.000 1.041 61 A CA -0.537 50.835 52.037 -1.108 0.000 0.708 61 A CB 0.777 19.401 19.000 -0.626 0.000 1.257 61 A HN 0.942 nan 8.150 nan 0.000 0.414 62 W N 2.665 123.053 121.300 -1.519 0.000 2.438 62 W HA 0.736 5.410 4.660 0.024 0.000 0.324 62 W C -1.729 174.083 176.519 -1.178 0.000 1.119 62 W CA -0.278 56.332 57.345 -1.226 0.000 1.221 62 W CB 0.932 29.985 29.460 -0.679 0.000 1.253 62 W HN 0.497 nan 8.180 nan 0.000 0.555 63 F N 5.832 125.104 119.950 -1.130 0.000 2.603 63 F HA 0.384 4.926 4.527 0.024 0.000 0.317 63 F C -1.312 173.601 175.800 -1.479 0.000 1.066 63 F CA -2.185 55.257 58.000 -0.930 0.000 0.941 63 F CB 1.934 40.546 39.000 -0.646 0.000 1.291 63 F HN 0.205 nan 8.300 nan 0.000 0.472 64 P HA 0.176 nan 4.420 nan 0.000 0.240 64 P C -0.508 176.654 177.300 -0.229 0.000 1.190 64 P CA 0.674 63.480 63.100 -0.491 0.000 0.781 64 P CB 0.761 32.458 31.700 -0.005 0.000 0.931 65 A N -0.186 122.511 122.820 -0.205 0.000 2.599 65 A HA 0.513 4.847 4.320 0.024 0.000 0.294 65 A C -2.442 175.040 177.584 -0.170 0.000 1.055 65 A CA -0.986 50.984 52.037 -0.112 0.000 0.683 65 A CB 0.507 19.507 19.000 0.001 0.000 1.278 65 A HN -0.299 nan 8.150 nan 0.000 0.412 66 P HA -0.122 nan 4.420 nan 0.000 0.218 66 P C 0.724 177.930 177.300 -0.157 0.000 1.149 66 P CA 1.467 64.440 63.100 -0.211 0.000 0.817 66 P CB 0.246 31.812 31.700 -0.223 0.000 0.785 67 E N 0.009 120.176 120.200 -0.054 0.000 2.333 67 E HA -0.057 4.307 4.350 0.024 0.000 0.198 67 E C 1.900 178.424 176.600 -0.126 0.000 1.007 67 E CA 1.160 57.532 56.400 -0.045 0.000 0.845 67 E CB -0.783 28.925 29.700 0.014 0.000 0.766 67 E HN 0.261 nan 8.360 nan 0.000 0.507 68 A N 0.151 122.854 122.820 -0.196 0.000 2.308 68 A HA 0.150 4.485 4.320 0.024 0.000 0.217 68 A C 0.540 177.774 177.584 -0.582 0.000 1.216 68 A CA -0.249 51.647 52.037 -0.235 0.000 0.864 68 A CB 0.437 19.389 19.000 -0.080 0.000 0.902 68 A HN 0.027 nan 8.150 nan 0.000 0.499 69 V N 2.681 122.159 119.914 -0.728 0.000 2.470 69 V HA 0.185 4.319 4.120 0.024 0.000 0.276 69 V C -2.272 173.453 176.094 -0.616 0.000 1.040 69 V CA -1.351 60.284 62.300 -1.109 0.000 1.008 69 V CB 0.740 32.026 31.823 -0.895 0.000 0.990 69 V HN 0.259 nan 8.190 nan 0.000 0.477 70 P HA 0.188 nan 4.420 nan 0.000 0.271 70 P C 0.392 177.614 177.300 -0.131 0.000 1.216 70 P CA -0.212 62.751 63.100 -0.228 0.000 0.771 70 P CB 0.861 32.489 31.700 -0.119 0.000 0.864 71 E N 1.017 121.159 120.200 -0.097 0.000 2.268 71 E HA -0.157 4.208 4.350 0.024 0.000 0.195 71 E C 1.844 178.412 176.600 -0.053 0.000 0.995 71 E CA 1.430 57.783 56.400 -0.079 0.000 0.836 71 E CB -0.523 29.129 29.700 -0.080 0.000 0.763 71 E HN 0.513 nan 8.360 nan 0.000 0.491 72 S N -0.382 115.304 115.700 -0.023 0.000 2.400 72 S HA -0.241 4.244 4.470 0.024 0.000 0.232 72 S C 1.869 176.480 174.600 0.018 0.000 1.025 72 S CA 0.970 59.167 58.200 -0.006 0.000 0.993 72 S CB -0.880 62.328 63.200 0.013 0.000 0.808 72 S HN 0.597 nan 8.310 nan 0.000 0.478 73 W N 2.197 123.400 121.300 -0.162 0.000 2.387 73 W HA 0.031 4.705 4.660 0.024 0.000 0.272 73 W C 1.570 177.976 176.519 -0.188 0.000 1.224 73 W CA 0.930 58.180 57.345 -0.158 0.000 1.210 73 W CB -0.262 29.087 29.460 -0.186 0.000 1.125 73 W HN 0.280 nan 8.180 nan 0.000 0.572 74 L N 0.235 121.255 121.223 -0.338 0.000 2.156 74 L HA -0.127 4.228 4.340 0.024 0.000 0.208 74 L C 2.408 179.052 176.870 -0.377 0.000 1.095 74 L CA 1.093 55.579 54.840 -0.589 0.000 0.770 74 L CB -0.596 41.144 42.059 -0.532 0.000 0.914 74 L HN -0.066 nan 8.230 nan 0.000 0.439 75 E N -1.042 119.020 120.200 -0.229 0.000 2.251 75 E HA 0.037 4.402 4.350 0.024 0.000 0.194 75 E C 0.416 176.941 176.600 -0.125 0.000 0.964 75 E CA 0.513 56.830 56.400 -0.138 0.000 0.868 75 E CB 0.705 30.355 29.700 -0.082 0.000 0.828 75 E HN 0.469 nan 8.360 nan 0.000 0.481 76 C N -0.053 119.174 119.300 -0.121 0.000 3.285 76 C HA 0.456 4.930 4.460 0.024 0.000 0.325 76 C C -0.600 174.369 174.990 -0.034 0.000 1.304 76 C CA -1.327 57.645 59.018 -0.078 0.000 1.319 76 C CB 1.080 28.796 27.740 -0.040 0.000 1.640 76 C HN 0.110 nan 8.230 nan 0.000 0.477 77 D N 1.002 121.397 120.400 -0.007 0.000 2.571 77 D HA 0.287 4.942 4.640 0.024 0.000 0.231 77 D C -0.236 176.130 176.300 0.110 0.000 1.133 77 D CA 0.604 54.642 54.000 0.064 0.000 0.862 77 D CB 0.480 41.311 40.800 0.051 0.000 1.179 77 D HN 0.595 nan 8.370 nan 0.000 0.474 78 L N 5.829 127.165 121.223 0.187 0.000 2.290 78 L HA 0.274 4.629 4.340 0.024 0.000 0.284 78 L C -1.258 175.673 176.870 0.101 0.000 1.078 78 L CA -1.576 53.356 54.840 0.154 0.000 0.815 78 L CB 1.379 43.548 42.059 0.183 0.000 1.162 78 L HN 0.489 nan 8.230 nan 0.000 0.435 79 P HA -0.156 nan 4.420 nan 0.000 0.218 79 P C 0.708 178.037 177.300 0.048 0.000 1.148 79 P CA 1.085 64.217 63.100 0.054 0.000 0.822 79 P CB 0.258 31.983 31.700 0.042 0.000 0.784 80 E N -0.247 119.979 120.200 0.043 0.000 2.418 80 E HA 0.109 4.474 4.350 0.024 0.000 0.197 80 E C 1.090 177.697 176.600 0.011 0.000 1.026 80 E CA 0.211 56.622 56.400 0.019 0.000 0.862 80 E CB -0.639 29.057 29.700 -0.006 0.000 0.799 80 E HN 0.217 nan 8.360 nan 0.000 0.518 81 A N 1.231 124.067 122.820 0.028 0.000 2.429 81 A HA 0.116 4.451 4.320 0.024 0.000 0.242 81 A C 0.013 177.645 177.584 0.079 0.000 1.088 81 A CA -0.159 51.893 52.037 0.025 0.000 0.784 81 A CB 0.319 19.365 19.000 0.076 0.000 1.038 81 A HN -0.052 nan 8.150 nan 0.000 0.501 82 D N -0.555 119.921 120.400 0.126 0.000 2.392 82 D HA 0.517 5.171 4.640 0.024 0.000 0.246 82 D C -0.607 175.805 176.300 0.186 0.000 1.013 82 D CA 0.001 54.099 54.000 0.164 0.000 0.993 82 D CB 1.398 42.352 40.800 0.258 0.000 1.219 82 D HN 0.396 nan 8.370 nan 0.000 0.538 83 T N 0.530 115.177 114.554 0.155 0.000 2.744 83 T HA 0.507 4.872 4.350 0.024 0.000 0.291 83 T C 0.117 174.910 174.700 0.154 0.000 0.957 83 T CA -0.529 61.669 62.100 0.165 0.000 1.002 83 T CB 0.634 69.574 68.868 0.119 0.000 0.919 83 T HN 0.266 nan 8.240 nan 0.000 0.468 84 V N 1.317 121.354 119.914 0.204 0.000 3.130 84 V HA 0.820 4.954 4.120 0.024 0.000 0.310 84 V C -0.436 175.780 176.094 0.204 0.000 1.158 84 V CA -1.012 61.368 62.300 0.134 0.000 1.029 84 V CB 1.724 33.654 31.823 0.178 0.000 1.057 84 V HN 0.514 nan 8.190 nan 0.000 0.436 85 V N 1.822 121.830 119.914 0.158 0.000 2.607 85 V HA 0.600 4.735 4.120 0.024 0.000 0.289 85 V C -0.056 176.133 176.094 0.158 0.000 1.053 85 V CA -0.170 62.229 62.300 0.166 0.000 0.996 85 V CB 1.524 33.407 31.823 0.098 0.000 0.995 85 V HN 0.777 nan 8.190 nan 0.000 0.476 86 V N 6.352 126.282 119.914 0.028 0.000 2.656 86 V HA 0.455 4.590 4.120 0.024 0.000 0.307 86 V C -2.342 173.653 176.094 -0.164 0.000 1.051 86 V CA -1.765 60.404 62.300 -0.217 0.000 0.893 86 V CB 2.532 33.864 31.823 -0.817 0.000 0.999 86 V HN 0.760 nan 8.190 nan 0.000 0.426 87 P HA 0.395 nan 4.420 nan 0.000 0.274 87 P C -0.767 176.466 177.300 -0.113 0.000 1.231 87 P CA -0.006 62.977 63.100 -0.196 0.000 0.790 87 P CB 1.135 32.735 31.700 -0.166 0.000 0.951 88 S N 0.443 116.085 115.700 -0.098 0.000 2.615 88 S HA 0.437 4.922 4.470 0.024 0.000 0.268 88 S C -1.265 173.264 174.600 -0.119 0.000 1.146 88 S CA -1.042 57.084 58.200 -0.123 0.000 0.818 88 S CB 0.573 63.645 63.200 -0.213 0.000 1.111 88 S HN 0.346 nan 8.310 nan 0.000 0.465 89 N N 0.869 119.435 118.700 -0.223 0.000 2.408 89 N HA 0.448 5.202 4.740 0.024 0.000 0.280 89 N C 0.420 175.750 175.510 -0.300 0.000 1.002 89 N CA -0.876 52.011 53.050 -0.272 0.000 0.907 89 N CB 0.763 39.054 38.487 -0.326 0.000 1.161 89 N HN 0.874 nan 8.380 nan 0.000 0.488 90 W N 2.233 123.386 121.300 -0.245 0.000 2.421 90 W HA -0.049 4.626 4.660 0.025 0.000 0.270 90 W C 0.939 177.421 176.519 -0.061 0.000 1.233 90 W CA 0.624 57.820 57.345 -0.247 0.000 1.226 90 W CB -0.322 28.981 29.460 -0.262 0.000 1.121 90 W HN 0.504 nan 8.180 nan 0.000 0.579 91 Q N 0.554 120.321 119.800 -0.055 0.000 2.167 91 Q HA -0.098 4.256 4.340 0.024 0.000 0.202 91 Q C 2.166 178.108 176.000 -0.095 0.000 0.970 91 Q CA 1.761 57.533 55.803 -0.052 0.000 0.855 91 Q CB -0.535 28.056 28.738 -0.245 0.000 0.911 91 Q HN 0.283 nan 8.270 nan 0.000 0.438 92 M N -0.838 118.667 119.600 -0.158 0.000 2.562 92 M HA -0.035 4.460 4.480 0.024 0.000 0.257 92 M C 0.699 177.054 176.300 0.092 0.000 1.099 92 M CA 1.309 56.547 55.300 -0.104 0.000 1.099 92 M CB -0.578 31.946 32.600 -0.127 0.000 1.427 92 M HN 0.386 nan 8.290 nan 0.000 0.489 93 H N -0.721 118.372 119.070 0.038 0.000 2.551 93 H HA 0.266 4.837 4.556 0.025 0.000 0.271 93 H C 1.351 176.565 175.328 -0.190 0.000 0.984 93 H CA 0.157 56.210 56.048 0.010 0.000 1.164 93 H CB 0.455 30.334 29.762 0.194 0.000 1.437 93 H HN 0.565 nan 8.280 nan 0.000 0.550 94 G N 0.461 109.252 108.800 -0.015 0.000 2.157 94 G HA2 -0.350 3.625 3.960 0.024 0.000 0.239 94 G HA3 -0.350 3.625 3.960 0.024 0.000 0.239 94 G C 0.389 175.152 174.900 -0.230 0.000 0.982 94 G CA 0.254 45.275 45.100 -0.131 0.000 0.650 94 G HN 0.434 nan 8.290 nan 0.000 0.527 95 Y N 1.708 122.020 120.300 0.020 0.000 2.242 95 Y HA 0.241 4.805 4.550 0.024 0.000 0.291 95 Y C 1.700 177.351 175.900 -0.414 0.000 1.137 95 Y CA 1.764 59.767 58.100 -0.161 0.000 1.181 95 Y CB 0.130 38.585 38.460 -0.009 0.000 0.989 95 Y HN 0.668 nan 8.280 nan 0.000 0.527 96 D N -2.063 118.385 120.400 0.080 0.000 2.665 96 D HA 0.521 5.175 4.640 0.024 0.000 0.287 96 D C -1.258 175.110 176.300 0.113 0.000 1.266 96 D CA -0.843 53.195 54.000 0.064 0.000 0.830 96 D CB 0.846 41.795 40.800 0.247 0.000 1.356 96 D HN -0.026 nan 8.370 nan 0.000 0.437 97 A N 0.101 122.997 122.820 0.126 0.000 2.306 97 A HA 0.735 5.070 4.320 0.024 0.000 0.314 97 A C -2.372 175.240 177.584 0.047 0.000 1.164 97 A CA -1.287 50.806 52.037 0.092 0.000 0.822 97 A CB 0.313 19.438 19.000 0.209 0.000 1.130 97 A HN 0.557 nan 8.150 nan 0.000 0.496 98 P HA 0.439 nan 4.420 nan 0.000 0.277 98 P C -0.901 176.570 177.300 0.285 0.000 1.240 98 P CA 0.043 63.104 63.100 -0.064 0.000 0.798 98 P CB 0.788 32.231 31.700 -0.429 0.000 0.979 99 I N 2.127 122.940 120.570 0.406 0.000 2.433 99 I HA 0.266 4.451 4.170 0.024 0.000 0.292 99 I C -0.505 175.764 176.117 0.254 0.000 1.001 99 I CA -0.990 60.533 61.300 0.372 0.000 1.119 99 I CB 1.561 39.726 38.000 0.274 0.000 1.289 99 I HN 0.292 nan 8.210 nan 0.000 0.438 100 Y N 5.983 126.176 120.300 -0.178 0.000 2.402 100 Y HA 0.530 5.094 4.550 0.024 0.000 0.332 100 Y C -0.393 175.338 175.900 -0.282 0.000 0.960 100 Y CA -0.610 57.116 58.100 -0.622 0.000 1.228 100 Y CB 1.176 38.810 38.460 -1.377 0.000 1.120 100 Y HN 0.548 nan 8.280 nan 0.000 0.491 101 T N 5.333 119.398 114.554 -0.814 0.000 2.893 101 T HA 0.272 4.637 4.350 0.024 0.000 0.293 101 T C 0.146 174.377 174.700 -0.781 0.000 1.027 101 T CA -0.590 61.054 62.100 -0.760 0.000 0.988 101 T CB 1.094 69.749 68.868 -0.356 0.000 1.043 101 T HN 0.765 nan 8.240 nan 0.000 0.461 102 N N 2.821 121.086 118.700 -0.726 0.000 2.220 102 N HA 0.046 4.801 4.740 0.024 0.000 0.193 102 N C 1.608 176.846 175.510 -0.453 0.000 1.052 102 N CA 1.548 54.305 53.050 -0.488 0.000 0.898 102 N CB -0.673 37.542 38.487 -0.453 0.000 1.080 102 N HN 0.394 nan 8.380 nan 0.000 0.467 103 V N 0.397 119.976 119.914 -0.559 0.000 2.374 103 V HA 0.075 4.210 4.120 0.024 0.000 0.241 103 V C 0.423 176.214 176.094 -0.506 0.000 1.034 103 V CA 0.945 62.838 62.300 -0.679 0.000 1.037 103 V CB -0.815 30.512 31.823 -0.826 0.000 0.682 103 V HN 0.358 nan 8.190 nan 0.000 0.463 104 T N 1.201 115.523 114.554 -0.387 0.000 2.871 104 T HA 0.065 4.430 4.350 0.024 0.000 0.296 104 T C -0.343 174.230 174.700 -0.211 0.000 0.998 104 T CA 0.340 62.291 62.100 -0.248 0.000 1.162 104 T CB -0.351 68.397 68.868 -0.200 0.000 0.947 104 T HN 0.173 nan 8.240 nan 0.000 0.536 105 Y N 5.181 125.387 120.300 -0.157 0.000 2.578 105 Y HA 0.114 4.678 4.550 0.024 0.000 0.339 105 Y C -0.717 175.061 175.900 -0.204 0.000 1.231 105 Y CA -1.556 56.444 58.100 -0.166 0.000 1.461 105 Y CB 0.437 38.798 38.460 -0.166 0.000 1.323 105 Y HN 0.505 nan 8.280 nan 0.000 0.590 106 P HA -0.008 nan 4.420 nan 0.000 0.245 106 P C -0.320 176.754 177.300 -0.376 0.000 1.212 106 P CA 1.096 64.093 63.100 -0.172 0.000 0.774 106 P CB 0.054 31.712 31.700 -0.071 0.000 0.999 107 I N -5.059 115.265 120.570 -0.411 0.000 3.002 107 I HA 0.490 4.675 4.170 0.024 0.000 0.310 107 I C -0.525 175.457 176.117 -0.226 0.000 1.087 107 I CA -1.254 59.772 61.300 -0.458 0.000 1.017 107 I CB 1.674 39.258 38.000 -0.693 0.000 1.226 107 I HN -0.457 nan 8.210 nan 0.000 0.443 108 T N 2.686 117.150 114.554 -0.151 0.000 2.934 108 T HA 0.150 4.515 4.350 0.024 0.000 0.306 108 T C 0.187 174.871 174.700 -0.027 0.000 1.042 108 T CA -0.208 61.856 62.100 -0.059 0.000 1.145 108 T CB 0.653 69.508 68.868 -0.021 0.000 0.982 108 T HN 0.377 nan 8.240 nan 0.000 0.544 109 V N 4.742 124.657 119.914 0.001 0.000 2.370 109 V HA 0.256 4.391 4.120 0.024 0.000 0.257 109 V C 0.686 176.822 176.094 0.070 0.000 1.064 109 V CA -0.252 62.071 62.300 0.037 0.000 0.975 109 V CB -0.073 31.750 31.823 -0.000 0.000 1.067 109 V HN 0.877 nan 8.190 nan 0.000 0.485 110 N N 5.909 124.707 118.700 0.164 0.000 2.639 110 N HA 0.237 4.991 4.740 0.024 0.000 0.265 110 N C -2.878 172.722 175.510 0.150 0.000 1.689 110 N CA -1.204 51.938 53.050 0.154 0.000 0.813 110 N CB 1.354 39.966 38.487 0.208 0.000 1.353 110 N HN 0.289 nan 8.380 nan 0.000 0.510 111 P HA 0.156 nan 4.420 nan 0.000 0.266 111 P C -2.192 174.906 177.300 -0.337 0.000 1.195 111 P CA -0.600 62.104 63.100 -0.661 0.000 0.768 111 P CB 0.550 31.671 31.700 -0.966 0.000 0.838 112 P HA 0.197 nan 4.420 nan 0.000 0.259 112 P C -0.416 176.759 177.300 -0.209 0.000 1.530 112 P CA -0.230 62.675 63.100 -0.325 0.000 1.022 112 P CB 0.012 31.497 31.700 -0.358 0.000 1.514 113 F N 1.133 121.189 119.950 0.177 0.000 2.380 113 F HA 0.306 4.848 4.527 0.025 0.000 0.325 113 F C 1.365 177.336 175.800 0.284 0.000 1.136 113 F CA -0.645 57.471 58.000 0.194 0.000 1.171 113 F CB 0.493 39.555 39.000 0.102 0.000 1.230 113 F HN -0.201 nan 8.300 nan 0.000 0.554 114 V N -1.363 118.824 119.914 0.456 0.000 3.126 114 V HA 0.720 4.855 4.120 0.024 0.000 0.314 114 V C -2.763 173.492 176.094 0.269 0.000 1.138 114 V CA -2.841 59.653 62.300 0.323 0.000 1.034 114 V CB 1.351 33.423 31.823 0.415 0.000 1.075 114 V HN 0.495 nan 8.190 nan 0.000 0.442 115 P HA 0.197 nan 4.420 nan 0.000 0.268 115 P C 1.010 178.447 177.300 0.229 0.000 1.208 115 P CA 0.521 63.709 63.100 0.148 0.000 0.777 115 P CB 0.532 32.290 31.700 0.097 0.000 0.875 116 T N -1.873 112.787 114.554 0.177 0.000 2.904 116 T HA -0.069 4.295 4.350 0.024 0.000 0.267 116 T C 0.585 175.396 174.700 0.186 0.000 1.059 116 T CA 0.738 62.951 62.100 0.187 0.000 1.137 116 T CB -0.514 68.429 68.868 0.126 0.000 0.879 116 T HN 0.377 nan 8.240 nan 0.000 0.467 117 E N 2.593 122.899 120.200 0.177 0.000 1.932 117 E HA 0.229 4.593 4.350 0.024 0.000 0.275 117 E C -0.747 176.011 176.600 0.265 0.000 1.159 117 E CA -0.361 56.151 56.400 0.186 0.000 0.905 117 E CB 0.099 29.912 29.700 0.188 0.000 1.059 117 E HN 0.243 nan 8.360 nan 0.000 0.400 118 N N 4.750 123.583 118.700 0.222 0.000 2.623 118 N HA 0.242 4.997 4.740 0.024 0.000 0.256 118 N C -2.854 172.696 175.510 0.066 0.000 1.045 118 N CA -2.496 50.719 53.050 0.276 0.000 0.863 118 N CB 1.063 39.718 38.487 0.280 0.000 1.182 118 N HN 0.059 nan 8.380 nan 0.000 0.523 119 P HA 0.008 nan 4.420 nan 0.000 0.260 119 P C -0.860 176.346 177.300 -0.157 0.000 1.172 119 P CA 0.530 63.577 63.100 -0.090 0.000 0.760 119 P CB 0.411 32.376 31.700 0.440 0.000 0.773 120 T N 2.768 116.971 114.554 -0.585 0.000 2.812 120 T HA 0.574 4.939 4.350 0.024 0.000 0.282 120 T C 0.228 174.408 174.700 -0.866 0.000 0.990 120 T CA -0.586 61.227 62.100 -0.478 0.000 0.960 120 T CB 1.602 70.231 68.868 -0.397 0.000 0.948 120 T HN 0.340 nan 8.240 nan 0.000 0.438 121 G N 0.900 109.219 108.800 -0.801 0.000 2.368 121 G HA2 0.488 4.463 3.960 0.024 0.000 0.320 121 G HA3 0.488 4.463 3.960 0.024 0.000 0.320 121 G C -0.389 174.205 174.900 -0.512 0.000 1.158 121 G CA -0.363 44.122 45.100 -1.026 0.000 0.912 121 G HN 0.862 nan 8.290 nan 0.000 0.456 122 C N 3.072 121.872 119.300 -0.833 0.000 2.223 122 C HA 0.509 4.984 4.460 0.024 0.000 0.324 122 C C -0.534 174.412 174.990 -0.073 0.000 1.196 122 C CA -0.819 57.891 59.018 -0.514 0.000 1.628 122 C CB -1.658 25.413 27.740 -1.114 0.000 2.229 122 C HN 0.632 nan 8.230 nan 0.000 0.486 123 Y N 1.851 122.425 120.300 0.456 0.000 2.457 123 Y HA 0.686 5.251 4.550 0.025 0.000 0.333 123 Y C 0.792 177.158 175.900 0.776 0.000 1.119 123 Y CA -0.191 58.295 58.100 0.643 0.000 1.143 123 Y CB 1.574 40.404 38.460 0.616 0.000 1.230 123 Y HN 0.674 nan 8.280 nan 0.000 0.469 124 S N 1.577 117.786 115.700 0.848 0.000 2.570 124 S HA 0.787 5.271 4.470 0.024 0.000 0.270 124 S C -2.044 172.622 174.600 0.109 0.000 1.149 124 S CA -0.826 57.629 58.200 0.425 0.000 0.837 124 S CB 2.211 65.528 63.200 0.195 0.000 1.124 124 S HN 0.571 nan 8.310 nan 0.000 0.465 125 L N 0.732 121.833 121.223 -0.204 0.000 2.526 125 L HA 0.709 5.063 4.340 0.024 0.000 0.263 125 L C -1.133 175.679 176.870 -0.095 0.000 0.943 125 L CA 0.138 54.704 54.840 -0.456 0.000 0.859 125 L CB 2.219 43.541 42.059 -1.229 0.000 1.313 125 L HN 0.915 nan 8.230 nan 0.000 0.406 126 T N 5.535 120.066 114.554 -0.039 0.000 2.767 126 T HA 0.773 5.138 4.350 0.024 0.000 0.284 126 T C -0.855 173.893 174.700 0.080 0.000 0.973 126 T CA 0.023 62.132 62.100 0.015 0.000 0.996 126 T CB 0.345 69.186 68.868 -0.044 0.000 0.927 126 T HN 0.450 nan 8.240 nan 0.000 0.456 127 F N 0.825 120.677 119.950 -0.162 0.000 2.711 127 F HA 0.720 5.261 4.527 0.025 0.000 0.313 127 F C -0.942 174.780 175.800 -0.131 0.000 1.141 127 F CA -1.859 56.047 58.000 -0.157 0.000 0.941 127 F CB 0.945 39.827 39.000 -0.197 0.000 1.349 127 F HN 0.356 nan 8.300 nan 0.000 0.464 128 N N -0.113 118.492 118.700 -0.158 0.000 2.487 128 N HA 0.680 5.435 4.740 0.024 0.000 0.292 128 N C -1.896 173.489 175.510 -0.209 0.000 1.108 128 N CA -0.399 52.512 53.050 -0.231 0.000 0.956 128 N CB 1.783 40.197 38.487 -0.121 0.000 1.176 128 N HN 0.638 nan 8.380 nan 0.000 0.484 129 V N 2.160 121.927 119.914 -0.245 0.000 2.577 129 V HA 0.276 4.410 4.120 0.024 0.000 0.303 129 V C -0.896 175.100 176.094 -0.163 0.000 1.042 129 V CA -0.992 61.180 62.300 -0.213 0.000 0.872 129 V CB 1.724 33.468 31.823 -0.132 0.000 0.998 129 V HN 0.710 nan 8.190 nan 0.000 0.423 130 D N 2.901 123.175 120.400 -0.210 0.000 2.389 130 D HA 0.088 4.743 4.640 0.024 0.000 0.247 130 D C 1.019 177.348 176.300 0.048 0.000 1.128 130 D CA -0.034 53.922 54.000 -0.073 0.000 0.884 130 D CB 1.889 42.663 40.800 -0.044 0.000 1.194 130 D HN 0.726 nan 8.370 nan 0.000 0.441 131 E N 1.426 121.656 120.200 0.049 0.000 2.209 131 E HA -0.198 4.167 4.350 0.024 0.000 0.196 131 E C 1.574 178.243 176.600 0.116 0.000 0.993 131 E CA 1.400 57.844 56.400 0.073 0.000 0.819 131 E CB -0.056 29.669 29.700 0.042 0.000 0.745 131 E HN 0.401 nan 8.360 nan 0.000 0.477 132 S N -1.075 114.705 115.700 0.133 0.000 2.419 132 S HA -0.154 4.331 4.470 0.024 0.000 0.233 132 S C 1.610 176.279 174.600 0.115 0.000 1.016 132 S CA 0.892 59.162 58.200 0.116 0.000 0.974 132 S CB -0.760 62.506 63.200 0.109 0.000 0.786 132 S HN 0.413 nan 8.310 nan 0.000 0.492 133 W N 1.379 122.620 121.300 -0.099 0.000 2.678 133 W HA 0.434 5.109 4.660 0.024 0.000 0.256 133 W C 1.795 178.407 176.519 0.155 0.000 1.280 133 W CA -0.220 57.068 57.345 -0.096 0.000 1.345 133 W CB -0.298 29.180 29.460 0.030 0.000 1.118 133 W HN 0.304 nan 8.180 nan 0.000 0.629 134 L N -0.244 121.157 121.223 0.298 0.000 2.515 134 L HA 0.024 4.379 4.340 0.024 0.000 0.223 134 L C 2.497 179.458 176.870 0.151 0.000 1.079 134 L CA 0.456 55.427 54.840 0.219 0.000 0.857 134 L CB -0.699 41.455 42.059 0.159 0.000 1.050 134 L HN -0.007 nan 8.230 nan 0.000 0.476 135 Q N 1.975 121.849 119.800 0.124 0.000 2.364 135 Q HA -0.067 4.288 4.340 0.024 0.000 0.207 135 Q C 0.130 176.180 176.000 0.084 0.000 0.970 135 Q CA 0.732 56.585 55.803 0.083 0.000 0.888 135 Q CB 0.050 28.824 28.738 0.059 0.000 0.951 135 Q HN 0.665 nan 8.270 nan 0.000 0.469 136 E N -1.588 118.683 120.200 0.120 0.000 2.437 136 E HA 0.547 4.911 4.350 0.024 0.000 0.280 136 E C -0.293 176.416 176.600 0.182 0.000 1.044 136 E CA -0.834 55.631 56.400 0.108 0.000 0.826 136 E CB 1.050 30.797 29.700 0.077 0.000 1.358 136 E HN 0.158 nan 8.360 nan 0.000 0.459 137 G N 0.544 109.393 108.800 0.082 0.000 2.750 137 G HA2 -0.248 3.726 3.960 0.024 0.000 0.228 137 G HA3 -0.248 3.726 3.960 0.024 0.000 0.228 137 G C -0.825 173.994 174.900 -0.135 0.000 1.367 137 G CA 0.096 45.156 45.100 -0.067 0.000 0.871 137 G HN 0.751 nan 8.290 nan 0.000 0.560 138 Q N -0.666 118.898 119.800 -0.394 0.000 2.340 138 Q HA 0.646 5.001 4.340 0.024 0.000 0.268 138 Q C -0.955 174.895 176.000 -0.249 0.000 1.031 138 Q CA -0.510 55.168 55.803 -0.209 0.000 0.804 138 Q CB 1.630 30.273 28.738 -0.159 0.000 1.286 138 Q HN 0.614 nan 8.270 nan 0.000 0.448 139 T N 4.804 119.388 114.554 0.050 0.000 2.772 139 T HA 0.468 4.832 4.350 0.024 0.000 0.288 139 T C -0.647 174.178 174.700 0.208 0.000 0.994 139 T CA -0.615 61.626 62.100 0.234 0.000 0.951 139 T CB 0.532 69.675 68.868 0.460 0.000 0.933 139 T HN 0.635 nan 8.240 nan 0.000 0.447 140 R N 2.993 123.603 120.500 0.184 0.000 2.873 140 R HA 0.791 5.146 4.340 0.024 0.000 0.264 140 R C -1.069 175.330 176.300 0.166 0.000 1.026 140 R CA -0.991 55.210 56.100 0.168 0.000 1.002 140 R CB 1.515 31.885 30.300 0.117 0.000 1.174 140 R HN 0.555 nan 8.270 nan 0.000 0.488 141 I N 1.929 122.593 120.570 0.157 0.000 2.493 141 I HA 0.457 4.641 4.170 0.024 0.000 0.298 141 I C -1.103 175.040 176.117 0.042 0.000 0.998 141 I CA -1.328 60.001 61.300 0.048 0.000 1.137 141 I CB 1.498 39.520 38.000 0.036 0.000 1.310 141 I HN 0.610 nan 8.210 nan 0.000 0.445 142 I N 7.190 127.684 120.570 -0.127 0.000 2.418 142 I HA 0.282 4.467 4.170 0.024 0.000 0.287 142 I C -1.289 174.666 176.117 -0.270 0.000 1.008 142 I CA -0.415 60.831 61.300 -0.090 0.000 1.104 142 I CB 1.517 39.476 38.000 -0.067 0.000 1.264 142 I HN 0.402 nan 8.210 nan 0.000 0.438 143 F N 4.696 124.622 119.950 -0.039 0.000 2.334 143 F HA 0.248 4.790 4.527 0.024 0.000 0.367 143 F C 1.369 177.040 175.800 -0.215 0.000 1.115 143 F CA -0.399 57.500 58.000 -0.169 0.000 1.116 143 F CB 0.654 39.491 39.000 -0.272 0.000 1.230 143 F HN 0.456 nan 8.300 nan 0.000 0.484 144 D N 2.357 122.654 120.400 -0.172 0.000 2.219 144 D HA 0.019 4.674 4.640 0.024 0.000 0.205 144 D C 1.033 177.151 176.300 -0.305 0.000 0.970 144 D CA 0.956 54.812 54.000 -0.240 0.000 0.851 144 D CB 0.354 40.950 40.800 -0.340 0.000 0.943 144 D HN 0.615 nan 8.370 nan 0.000 0.488 145 G N -0.417 108.136 108.800 -0.411 0.000 2.552 145 G HA2 0.444 4.418 3.960 0.024 0.000 0.288 145 G HA3 0.444 4.418 3.960 0.024 0.000 0.288 145 G C -1.452 173.173 174.900 -0.460 0.000 1.358 145 G CA -0.393 44.340 45.100 -0.612 0.000 1.305 145 G HN -0.058 nan 8.290 nan 0.000 0.602 146 V N 2.774 122.617 119.914 -0.119 0.000 2.482 146 V HA 0.489 4.624 4.120 0.024 0.000 0.295 146 V C -0.788 175.391 176.094 0.142 0.000 1.026 146 V CA -1.168 61.077 62.300 -0.091 0.000 0.856 146 V CB 1.823 33.362 31.823 -0.474 0.000 1.001 146 V HN 0.691 nan 8.190 nan 0.000 0.424 147 N N 2.687 121.477 118.700 0.150 0.000 2.476 147 N HA 0.306 5.060 4.740 0.024 0.000 0.257 147 N C 0.626 176.076 175.510 -0.101 0.000 0.970 147 N CA 0.173 53.221 53.050 -0.003 0.000 0.938 147 N CB 2.130 40.471 38.487 -0.244 0.000 1.144 147 N HN 0.673 nan 8.380 nan 0.000 0.500 148 S N 1.906 117.583 115.700 -0.039 0.000 2.526 148 S HA 0.578 5.063 4.470 0.024 0.000 0.220 148 S C 0.318 174.979 174.600 0.102 0.000 1.017 148 S CA 0.054 58.280 58.200 0.043 0.000 0.930 148 S CB 0.369 63.604 63.200 0.059 0.000 0.856 148 S HN 0.642 nan 8.310 nan 0.000 0.497 149 A N 0.841 123.730 122.820 0.114 0.000 2.612 149 A HA 0.761 5.095 4.320 0.024 0.000 0.293 149 A C -1.435 176.220 177.584 0.117 0.000 1.075 149 A CA -0.912 51.150 52.037 0.043 0.000 0.680 149 A CB 0.852 19.891 19.000 0.064 0.000 1.279 149 A HN 1.096 nan 8.150 nan 0.000 0.411 150 F N -0.709 119.030 119.950 -0.352 0.000 2.703 150 F HA 0.725 5.267 4.527 0.024 0.000 0.308 150 F C -1.123 174.519 175.800 -0.263 0.000 1.126 150 F CA -0.765 57.120 58.000 -0.191 0.000 0.959 150 F CB 0.969 39.854 39.000 -0.192 0.000 1.297 150 F HN 0.635 nan 8.300 nan 0.000 0.441 151 H N 1.866 121.033 119.070 0.161 0.000 2.499 151 H HA 0.738 5.309 4.556 0.025 0.000 0.340 151 H C -1.389 173.851 175.328 -0.148 0.000 1.148 151 H CA -0.674 55.347 56.048 -0.046 0.000 1.215 151 H CB 2.468 32.188 29.762 -0.070 0.000 1.529 151 H HN 0.761 nan 8.280 nan 0.000 0.510 152 L N 2.856 123.806 121.223 -0.455 0.000 2.386 152 L HA 0.396 4.750 4.340 0.024 0.000 0.271 152 L C -1.658 174.871 176.870 -0.569 0.000 0.993 152 L CA -0.563 54.089 54.840 -0.314 0.000 0.819 152 L CB 1.488 43.223 42.059 -0.540 0.000 1.294 152 L HN 0.523 nan 8.230 nan 0.000 0.414 153 W N 4.242 125.500 121.300 -0.070 0.000 2.844 153 W HA 0.598 5.273 4.660 0.025 0.000 0.340 153 W C -1.146 175.307 176.519 -0.111 0.000 1.093 153 W CA -0.783 56.508 57.345 -0.090 0.000 1.212 153 W CB 2.082 31.531 29.460 -0.019 0.000 1.422 153 W HN 0.595 nan 8.180 nan 0.000 0.515 154 C N 4.784 124.144 119.300 0.101 0.000 2.381 154 C HA 0.300 4.774 4.460 0.024 0.000 0.328 154 C C 0.226 175.334 174.990 0.195 0.000 1.190 154 C CA -0.330 58.754 59.018 0.110 0.000 1.369 154 C CB -0.702 27.036 27.740 -0.004 0.000 2.029 154 C HN 0.808 nan 8.230 nan 0.000 0.448 155 N N 3.578 122.350 118.700 0.120 0.000 2.735 155 N HA -0.182 4.572 4.740 0.024 0.000 0.248 155 N C 0.938 176.510 175.510 0.102 0.000 1.083 155 N CA 2.049 55.149 53.050 0.084 0.000 0.703 155 N CB -1.371 37.171 38.487 0.093 0.000 1.005 155 N HN 1.847 nan 8.380 nan 0.000 0.550 156 G N -1.206 107.649 108.800 0.092 0.000 2.205 156 G HA2 -0.370 3.605 3.960 0.024 0.000 0.261 156 G HA3 -0.370 3.605 3.960 0.024 0.000 0.261 156 G C 0.130 175.190 174.900 0.266 0.000 0.980 156 G CA 0.678 45.829 45.100 0.086 0.000 0.632 156 G HN 0.560 nan 8.290 nan 0.000 0.533 157 R N -1.014 119.707 120.500 0.369 0.000 2.460 157 R HA 0.446 4.801 4.340 0.024 0.000 0.303 157 R C -0.261 176.346 176.300 0.512 0.000 0.968 157 R CA -0.883 55.505 56.100 0.481 0.000 0.889 157 R CB 1.133 31.734 30.300 0.502 0.000 1.123 157 R HN 0.214 nan 8.270 nan 0.000 0.455 158 W N 3.565 125.030 121.300 0.276 0.000 2.251 158 W HA 0.079 4.754 4.660 0.024 0.000 0.327 158 W C 0.082 176.492 176.519 -0.182 0.000 1.361 158 W CA 0.039 57.257 57.345 -0.211 0.000 1.234 158 W CB 0.675 29.997 29.460 -0.230 0.000 1.212 158 W HN 0.335 nan 8.180 nan 0.000 0.557 159 V N 5.407 124.549 119.914 -1.287 0.000 2.599 159 V HA 0.532 4.666 4.120 0.024 0.000 0.237 159 V C 1.090 176.140 176.094 -1.741 0.000 1.081 159 V CA 1.077 62.577 62.300 -1.333 0.000 1.107 159 V CB -0.489 30.603 31.823 -1.218 0.000 0.808 159 V HN 0.816 nan 8.190 nan 0.000 0.486 160 G N -1.823 105.723 108.800 -2.090 0.000 2.428 160 G HA2 0.474 4.449 3.960 0.024 0.000 0.304 160 G HA3 0.474 4.449 3.960 0.024 0.000 0.304 160 G C -2.417 171.993 174.900 -0.816 0.000 1.303 160 G CA -0.237 44.042 45.100 -1.368 0.000 0.825 160 G HN 0.053 nan 8.290 nan 0.000 0.484 161 Y N -0.563 119.451 120.300 -0.476 0.000 2.562 161 Y HA 0.717 5.282 4.550 0.024 0.000 0.345 161 Y C -0.099 175.540 175.900 -0.435 0.000 1.045 161 Y CA -0.041 57.730 58.100 -0.548 0.000 1.028 161 Y CB 2.220 40.545 38.460 -0.226 0.000 1.297 161 Y HN 1.259 nan 8.280 nan 0.000 0.463 162 G N 3.410 111.310 108.800 -1.500 0.000 2.718 162 G HA2 0.589 4.563 3.960 0.024 0.000 0.295 162 G HA3 0.589 4.563 3.960 0.024 0.000 0.295 162 G C -2.161 172.289 174.900 -0.750 0.000 1.421 162 G CA -0.912 43.681 45.100 -0.845 0.000 0.902 162 G HN 0.642 nan 8.290 nan 0.000 0.501 163 Q N -0.290 119.332 119.800 -0.297 0.000 2.587 163 Q HA 0.611 4.966 4.340 0.024 0.000 0.293 163 Q C -1.421 174.588 176.000 0.014 0.000 1.083 163 Q CA -0.877 54.869 55.803 -0.095 0.000 0.792 163 Q CB 2.719 31.460 28.738 0.004 0.000 1.484 163 Q HN 0.623 nan 8.270 nan 0.000 0.446 164 D N -0.150 120.294 120.400 0.073 0.000 4.303 164 D HA -0.093 4.562 4.640 0.024 0.000 0.230 164 D C -0.622 175.746 176.300 0.113 0.000 1.172 164 D CA 0.346 54.402 54.000 0.095 0.000 1.001 164 D CB -0.605 40.234 40.800 0.065 0.000 0.641 164 D HN 0.541 nan 8.370 nan 0.000 0.296 165 S N 3.142 118.925 115.700 0.138 0.000 2.603 165 S HA -0.030 4.455 4.470 0.024 0.000 0.229 165 S C 1.547 176.280 174.600 0.222 0.000 0.972 165 S CA 0.401 58.713 58.200 0.186 0.000 0.935 165 S CB 0.286 63.575 63.200 0.149 0.000 0.769 165 S HN 0.432 nan 8.310 nan 0.000 0.536 166 R N 0.162 120.754 120.500 0.153 0.000 2.508 166 R HA 0.424 4.778 4.340 0.024 0.000 0.300 166 R C -0.378 175.975 176.300 0.090 0.000 0.970 166 R CA 0.064 56.251 56.100 0.146 0.000 1.102 166 R CB 0.254 30.667 30.300 0.188 0.000 1.246 166 R HN 0.320 nan 8.270 nan 0.000 0.539 167 L N 1.743 122.990 121.223 0.041 0.000 2.371 167 L HA 0.507 4.861 4.340 0.024 0.000 0.262 167 L C -2.393 174.450 176.870 -0.045 0.000 1.006 167 L CA -2.271 52.563 54.840 -0.010 0.000 0.818 167 L CB 2.970 45.019 42.059 -0.018 0.000 1.354 167 L HN -0.216 nan 8.230 nan 0.000 0.415 168 P HA 0.115 nan 4.420 nan 0.000 0.271 168 P C -0.999 176.264 177.300 -0.062 0.000 1.216 168 P CA -0.214 62.833 63.100 -0.089 0.000 0.776 168 P CB 1.170 32.779 31.700 -0.153 0.000 0.881 169 S N 1.853 117.577 115.700 0.041 0.000 2.454 169 S HA 0.341 4.825 4.470 0.024 0.000 0.306 169 S C -0.364 174.177 174.600 -0.099 0.000 1.100 169 S CA -0.588 57.598 58.200 -0.024 0.000 1.087 169 S CB 1.039 64.383 63.200 0.239 0.000 1.019 169 S HN 0.376 nan 8.310 nan 0.000 0.480 170 E N 1.640 121.575 120.200 -0.442 0.000 2.256 170 E HA 0.614 4.978 4.350 0.024 0.000 0.267 170 E C -1.504 174.679 176.600 -0.695 0.000 0.892 170 E CA -0.586 55.626 56.400 -0.314 0.000 0.775 170 E CB 1.720 31.352 29.700 -0.113 0.000 1.207 170 E HN 0.412 nan 8.360 nan 0.000 0.420 171 F N 0.500 120.509 119.950 0.098 0.000 2.591 171 F HA 0.174 4.716 4.527 0.025 0.000 0.309 171 F C -0.191 175.640 175.800 0.053 0.000 1.098 171 F CA -1.085 56.939 58.000 0.040 0.000 0.937 171 F CB 1.588 40.579 39.000 -0.015 0.000 1.250 171 F HN 0.264 nan 8.300 nan 0.000 0.447 172 D N 2.906 123.443 120.400 0.229 0.000 2.339 172 D HA 0.219 4.873 4.640 0.024 0.000 0.256 172 D C 0.349 176.805 176.300 0.260 0.000 1.214 172 D CA 0.351 54.472 54.000 0.201 0.000 0.877 172 D CB 0.974 41.870 40.800 0.160 0.000 1.111 172 D HN 0.586 nan 8.370 nan 0.000 0.478 173 L N 2.784 124.165 121.223 0.264 0.000 2.640 173 L HA 0.031 4.386 4.340 0.024 0.000 0.230 173 L C 2.132 179.237 176.870 0.393 0.000 1.123 173 L CA -0.188 54.858 54.840 0.345 0.000 0.900 173 L CB 0.060 42.273 42.059 0.258 0.000 1.146 173 L HN 0.269 nan 8.230 nan 0.000 0.484 174 S N 1.436 117.308 115.700 0.286 0.000 2.372 174 S HA -0.283 4.202 4.470 0.024 0.000 0.227 174 S C 2.099 176.796 174.600 0.161 0.000 1.044 174 S CA 1.873 60.196 58.200 0.206 0.000 1.050 174 S CB -0.184 63.096 63.200 0.133 0.000 0.901 174 S HN 0.566 nan 8.310 nan 0.000 0.447 175 A N -0.390 122.499 122.820 0.115 0.000 2.206 175 A HA 0.257 4.592 4.320 0.024 0.000 0.211 175 A C 1.448 178.891 177.584 -0.234 0.000 1.158 175 A CA 0.522 52.502 52.037 -0.095 0.000 0.761 175 A CB -0.483 18.370 19.000 -0.245 0.000 0.801 175 A HN 0.484 nan 8.150 nan 0.000 0.473 176 F N -0.581 119.409 119.950 0.068 0.000 2.714 176 F HA 0.349 4.891 4.527 0.024 0.000 0.294 176 F C 0.738 176.572 175.800 0.057 0.000 1.120 176 F CA -0.025 58.013 58.000 0.064 0.000 1.398 176 F CB 0.042 39.086 39.000 0.073 0.000 1.120 176 F HN -0.022 nan 8.300 nan 0.000 0.589 177 L N 0.945 122.314 121.223 0.243 0.000 2.416 177 L HA 0.524 4.879 4.340 0.024 0.000 0.262 177 L C 0.099 177.009 176.870 0.067 0.000 1.093 177 L CA -0.809 54.116 54.840 0.142 0.000 0.801 177 L CB 1.253 43.408 42.059 0.160 0.000 1.191 177 L HN 0.015 nan 8.230 nan 0.000 0.459 178 R N 0.987 121.492 120.500 0.008 0.000 2.771 178 R HA 0.791 5.146 4.340 0.024 0.000 0.274 178 R C -1.048 175.229 176.300 -0.038 0.000 0.987 178 R CA -0.890 55.205 56.100 -0.008 0.000 0.908 178 R CB 1.541 31.827 30.300 -0.023 0.000 1.213 178 R HN 0.558 nan 8.270 nan 0.000 0.468 179 A N 1.436 124.244 122.820 -0.021 0.000 2.531 179 A HA 0.480 4.815 4.320 0.024 0.000 0.236 179 A C 1.066 178.606 177.584 -0.073 0.000 1.062 179 A CA 1.145 53.160 52.037 -0.036 0.000 0.760 179 A CB -0.717 18.274 19.000 -0.014 0.000 0.995 179 A HN 1.415 nan 8.150 nan 0.000 0.501 180 G N 1.219 109.959 108.800 -0.101 0.000 2.475 180 G HA2 -0.089 3.886 3.960 0.024 0.000 0.223 180 G HA3 -0.089 3.886 3.960 0.024 0.000 0.223 180 G C -0.428 174.351 174.900 -0.203 0.000 1.201 180 G CA -0.098 44.929 45.100 -0.123 0.000 0.962 180 G HN 0.914 nan 8.290 nan 0.000 0.586 181 E N 2.110 122.194 120.200 -0.193 0.000 2.316 181 E HA 0.387 4.751 4.350 0.024 0.000 0.275 181 E C 0.298 176.703 176.600 -0.324 0.000 1.029 181 E CA 0.055 56.301 56.400 -0.256 0.000 0.871 181 E CB 0.582 30.182 29.700 -0.168 0.000 1.022 181 E HN 0.484 nan 8.360 nan 0.000 0.418 182 N N 2.060 120.434 118.700 -0.544 0.000 2.455 182 N HA 0.414 5.169 4.740 0.024 0.000 0.278 182 N C -0.746 174.515 175.510 -0.415 0.000 1.291 182 N CA -0.692 52.051 53.050 -0.512 0.000 0.780 182 N CB 2.671 40.724 38.487 -0.723 0.000 1.520 182 N HN 0.190 nan 8.380 nan 0.000 0.486 183 R N 1.315 121.732 120.500 -0.139 0.000 2.532 183 R HA 0.501 4.856 4.340 0.024 0.000 0.297 183 R C -1.290 175.078 176.300 0.112 0.000 0.984 183 R CA -0.461 55.639 56.100 -0.001 0.000 0.884 183 R CB 1.078 31.340 30.300 -0.062 0.000 1.182 183 R HN 0.480 nan 8.270 nan 0.000 0.442 184 L N 2.897 124.236 121.223 0.193 0.000 2.334 184 L HA 0.767 5.121 4.340 0.024 0.000 0.275 184 L C -0.287 176.641 176.870 0.098 0.000 1.036 184 L CA -0.948 53.998 54.840 0.177 0.000 0.807 184 L CB 1.959 44.120 42.059 0.170 0.000 1.231 184 L HN 0.752 nan 8.230 nan 0.000 0.438 185 A N 2.775 125.670 122.820 0.125 0.000 2.353 185 A HA 0.736 5.070 4.320 0.024 0.000 0.299 185 A C -1.093 176.784 177.584 0.488 0.000 1.089 185 A CA -0.439 51.601 52.037 0.005 0.000 0.736 185 A CB 1.505 19.981 19.000 -0.872 0.000 1.195 185 A HN 0.365 nan 8.150 nan 0.000 0.447 186 V N 3.569 123.934 119.914 0.752 0.000 2.407 186 V HA 0.474 4.609 4.120 0.024 0.000 0.291 186 V C -0.077 176.534 176.094 0.862 0.000 1.018 186 V CA -0.301 62.423 62.300 0.707 0.000 0.842 186 V CB 1.517 33.572 31.823 0.387 0.000 0.996 186 V HN 0.967 nan 8.190 nan 0.000 0.426 187 M N 6.108 126.235 119.600 0.878 0.000 2.088 187 M HA 0.591 5.085 4.480 0.024 0.000 0.346 187 M C -1.475 175.072 176.300 0.412 0.000 1.111 187 M CA -0.343 55.288 55.300 0.553 0.000 1.017 187 M CB 1.208 34.166 32.600 0.596 0.000 1.568 187 M HN 0.460 nan 8.290 nan 0.000 0.445 188 V N 6.888 127.005 119.914 0.339 0.000 2.394 188 V HA 0.394 4.529 4.120 0.024 0.000 0.282 188 V C -0.208 176.046 176.094 0.266 0.000 1.031 188 V CA -0.658 61.852 62.300 0.350 0.000 0.881 188 V CB 1.455 33.592 31.823 0.522 0.000 0.982 188 V HN 0.812 nan 8.190 nan 0.000 0.451 189 L N 4.973 126.280 121.223 0.140 0.000 2.289 189 L HA 0.515 4.869 4.340 0.024 0.000 0.285 189 L C 1.539 178.423 176.870 0.024 0.000 1.049 189 L CA -0.294 54.552 54.840 0.009 0.000 0.804 189 L CB 1.182 43.146 42.059 -0.160 0.000 1.195 189 L HN 0.615 nan 8.230 nan 0.000 0.428 190 R N 2.773 123.241 120.500 -0.053 0.000 2.081 190 R HA -0.057 4.297 4.340 0.024 0.000 0.235 190 R C -0.387 175.564 176.300 -0.582 0.000 1.131 190 R CA 1.308 57.134 56.100 -0.457 0.000 0.960 190 R CB 0.210 30.081 30.300 -0.715 0.000 0.856 190 R HN 0.563 nan 8.270 nan 0.000 0.436 191 W N 0.025 121.392 121.300 0.112 0.000 2.627 191 W HA 0.433 5.108 4.660 0.024 0.000 0.339 191 W C -0.396 176.237 176.519 0.190 0.000 1.058 191 W CA -0.758 56.659 57.345 0.120 0.000 1.223 191 W CB 1.784 31.317 29.460 0.121 0.000 1.389 191 W HN 0.003 nan 8.180 nan 0.000 0.541 192 S N -1.166 114.815 115.700 0.468 0.000 2.643 192 S HA 0.193 4.677 4.470 0.024 0.000 0.270 192 S C 0.041 174.899 174.600 0.431 0.000 1.166 192 S CA -0.489 58.000 58.200 0.482 0.000 0.815 192 S CB 1.207 64.664 63.200 0.428 0.000 1.139 192 S HN 0.636 nan 8.310 nan 0.000 0.472 193 D N 0.386 121.048 120.400 0.436 0.000 2.309 193 D HA 0.059 4.714 4.640 0.024 0.000 0.212 193 D C 1.728 178.343 176.300 0.524 0.000 0.968 193 D CA 1.213 55.523 54.000 0.516 0.000 0.882 193 D CB -0.652 40.322 40.800 0.291 0.000 0.918 193 D HN 0.706 nan 8.370 nan 0.000 0.503 194 G N 0.086 109.114 108.800 0.379 0.000 2.443 194 G HA2 -0.245 3.729 3.960 0.024 0.000 0.219 194 G HA3 -0.245 3.729 3.960 0.024 0.000 0.219 194 G C 1.689 176.781 174.900 0.321 0.000 1.131 194 G CA 0.649 45.947 45.100 0.330 0.000 0.775 194 G HN 0.318 nan 8.290 nan 0.000 0.547 195 S N -0.019 115.854 115.700 0.289 0.000 2.442 195 S HA -0.092 4.392 4.470 0.024 0.000 0.236 195 S C 1.862 176.577 174.600 0.191 0.000 1.007 195 S CA 0.629 58.975 58.200 0.242 0.000 0.965 195 S CB -0.362 62.997 63.200 0.266 0.000 0.773 195 S HN 0.510 nan 8.310 nan 0.000 0.504 196 Y N 1.161 121.610 120.300 0.248 0.000 2.421 196 Y HA 0.120 4.684 4.550 0.024 0.000 0.292 196 Y C 1.561 177.587 175.900 0.211 0.000 1.136 196 Y CA 0.575 58.752 58.100 0.128 0.000 1.255 196 Y CB -0.229 38.154 38.460 -0.128 0.000 0.991 196 Y HN 0.213 nan 8.280 nan 0.000 0.552 197 L N -0.299 121.132 121.223 0.347 0.000 2.700 197 L HA 0.141 4.496 4.340 0.024 0.000 0.234 197 L C 0.002 177.020 176.870 0.247 0.000 1.156 197 L CA 0.434 55.432 54.840 0.263 0.000 0.946 197 L CB 0.049 42.269 42.059 0.268 0.000 1.216 197 L HN 0.125 nan 8.230 nan 0.000 0.493 198 E N -0.215 120.143 120.200 0.264 0.000 4.044 198 E HA 0.038 4.403 4.350 0.024 0.000 0.216 198 E C -0.503 176.212 176.600 0.191 0.000 1.104 198 E CA -0.060 56.478 56.400 0.230 0.000 1.383 198 E CB 0.538 30.366 29.700 0.213 0.000 1.195 198 E HN 0.019 nan 8.360 nan 0.000 0.442 199 D N 1.122 121.593 120.400 0.119 0.000 2.706 199 D HA 0.034 4.689 4.640 0.024 0.000 0.236 199 D C -0.210 176.090 176.300 0.001 0.000 1.231 199 D CA -0.071 53.885 54.000 -0.073 0.000 0.828 199 D CB 0.171 40.654 40.800 -0.529 0.000 1.015 199 D HN 0.063 nan 8.370 nan 0.000 0.484 200 Q N 0.354 120.248 119.800 0.156 0.000 2.421 200 Q HA 0.148 4.503 4.340 0.024 0.000 0.255 200 Q C -0.125 175.995 176.000 0.201 0.000 1.013 200 Q CA -0.045 55.914 55.803 0.259 0.000 0.895 200 Q CB 0.615 29.658 28.738 0.508 0.000 1.271 200 Q HN 0.051 nan 8.270 nan 0.000 0.460 201 D N 2.773 123.317 120.400 0.241 0.000 2.441 201 D HA 0.179 4.834 4.640 0.024 0.000 0.243 201 D C -0.761 175.680 176.300 0.236 0.000 1.257 201 D CA 0.121 54.235 54.000 0.190 0.000 1.027 201 D CB -0.408 40.502 40.800 0.183 0.000 1.084 201 D HN 0.496 nan 8.370 nan 0.000 0.514 202 M N 0.300 120.009 119.600 0.182 0.000 3.147 202 M HA 0.382 4.877 4.480 0.024 0.000 0.276 202 M C -1.280 175.093 176.300 0.121 0.000 1.211 202 M CA -1.173 54.157 55.300 0.051 0.000 0.820 202 M CB 0.950 33.512 32.600 -0.064 0.000 1.621 202 M HN -0.089 nan 8.290 nan 0.000 0.507 203 W N 1.963 123.332 121.300 0.116 0.000 2.193 203 W HA 0.338 5.013 4.660 0.024 0.000 0.338 203 W C 0.243 176.780 176.519 0.031 0.000 1.310 203 W CA 0.032 57.442 57.345 0.109 0.000 1.243 203 W CB 0.307 29.768 29.460 0.003 0.000 1.165 203 W HN 0.267 nan 8.180 nan 0.000 0.566 204 R N 4.650 125.311 120.500 0.268 0.000 2.204 204 R HA 0.428 4.783 4.340 0.024 0.000 0.341 204 R C -0.126 176.182 176.300 0.013 0.000 1.035 204 R CA -0.264 55.921 56.100 0.142 0.000 0.887 204 R CB 0.208 30.662 30.300 0.257 0.000 1.114 204 R HN 0.553 nan 8.270 nan 0.000 0.473 205 M N 0.265 119.762 119.600 -0.171 0.000 2.788 205 M HA 0.521 5.016 4.480 0.024 0.000 0.291 205 M C 0.001 175.952 176.300 -0.582 0.000 1.213 205 M CA -0.836 54.243 55.300 -0.368 0.000 0.768 205 M CB 2.370 34.759 32.600 -0.351 0.000 1.766 205 M HN 0.636 nan 8.290 nan 0.000 0.460 206 S N -1.085 114.128 115.700 -0.813 0.000 2.615 206 S HA 0.968 5.453 4.470 0.024 0.000 0.269 206 S C -0.627 173.454 174.600 -0.864 0.000 1.161 206 S CA -0.132 57.513 58.200 -0.925 0.000 0.817 206 S CB 1.969 64.448 63.200 -1.201 0.000 1.131 206 S HN 1.430 nan 8.310 nan 0.000 0.467 207 G N -0.093 108.455 108.800 -0.420 0.000 2.343 207 G HA2 0.206 4.181 3.960 0.024 0.000 0.465 207 G HA3 0.206 4.181 3.960 0.024 0.000 0.465 207 G C -1.557 173.368 174.900 0.043 0.000 1.282 207 G CA -0.649 44.506 45.100 0.091 0.000 0.996 207 G HN 1.103 nan 8.290 nan 0.000 0.521 208 I N 2.013 122.460 120.570 -0.206 0.000 2.276 208 I HA 0.288 4.472 4.170 0.024 0.000 0.290 208 I C 0.937 176.916 176.117 -0.230 0.000 1.109 208 I CA -0.275 60.784 61.300 -0.402 0.000 1.229 208 I CB -0.043 37.434 38.000 -0.871 0.000 1.452 208 I HN 0.505 nan 8.210 nan 0.000 0.497 209 F N 4.406 124.202 119.950 -0.257 0.000 2.678 209 F HA 0.495 5.037 4.527 0.024 0.000 0.305 209 F C 0.528 176.243 175.800 -0.141 0.000 1.090 209 F CA -0.626 57.256 58.000 -0.197 0.000 1.272 209 F CB 0.016 38.906 39.000 -0.183 0.000 1.060 209 F HN 0.118 nan 8.300 nan 0.000 0.576 210 R N 0.314 120.400 120.500 -0.690 0.000 2.930 210 R HA 0.258 4.612 4.340 0.024 0.000 0.257 210 R C -0.777 175.305 176.300 -0.363 0.000 1.107 210 R CA -1.201 54.590 56.100 -0.515 0.000 0.999 210 R CB 0.724 30.634 30.300 -0.650 0.000 1.209 210 R HN -0.049 nan 8.270 nan 0.000 0.486 211 D N 0.905 121.137 120.400 -0.280 0.000 2.515 211 D HA 0.053 4.707 4.640 0.024 0.000 0.232 211 D C -0.464 175.677 176.300 -0.264 0.000 1.157 211 D CA 0.560 54.430 54.000 -0.217 0.000 0.871 211 D CB 0.606 41.314 40.800 -0.154 0.000 1.200 211 D HN -0.004 nan 8.370 nan 0.000 0.466 212 V N 1.409 121.175 119.914 -0.246 0.000 2.487 212 V HA 0.541 4.676 4.120 0.024 0.000 0.298 212 V C 0.141 176.095 176.094 -0.233 0.000 1.028 212 V CA -0.536 61.552 62.300 -0.354 0.000 0.860 212 V CB 1.569 33.186 31.823 -0.344 0.000 0.991 212 V HN 0.753 nan 8.190 nan 0.000 0.427 213 S N 4.913 120.459 115.700 -0.257 0.000 2.607 213 S HA 0.841 5.325 4.470 0.024 0.000 0.273 213 S C -1.334 173.200 174.600 -0.110 0.000 1.148 213 S CA -0.922 57.198 58.200 -0.134 0.000 0.833 213 S CB 1.876 65.034 63.200 -0.069 0.000 1.130 213 S HN 0.448 nan 8.310 nan 0.000 0.470 214 L N 1.504 122.722 121.223 -0.008 0.000 2.341 214 L HA 0.694 5.048 4.340 0.024 0.000 0.278 214 L C -1.338 175.730 176.870 0.330 0.000 1.005 214 L CA -0.859 54.060 54.840 0.131 0.000 0.818 214 L CB 1.709 43.824 42.059 0.092 0.000 1.259 214 L HN 0.699 nan 8.230 nan 0.000 0.418 215 L N 3.305 124.719 121.223 0.318 0.000 2.356 215 L HA 0.464 4.818 4.340 0.024 0.000 0.277 215 L C -0.737 176.202 176.870 0.116 0.000 0.996 215 L CA -0.123 54.848 54.840 0.218 0.000 0.822 215 L CB 1.435 43.562 42.059 0.114 0.000 1.256 215 L HN 0.491 nan 8.230 nan 0.000 0.413 216 H N 5.456 124.336 119.070 -0.318 0.000 2.519 216 H HA 0.476 5.047 4.556 0.025 0.000 0.316 216 H C -1.237 173.883 175.328 -0.347 0.000 1.065 216 H CA -0.528 55.197 56.048 -0.538 0.000 1.264 216 H CB 1.060 29.945 29.762 -1.463 0.000 1.413 216 H HN 0.561 nan 8.280 nan 0.000 0.465 217 K N 5.650 125.671 120.400 -0.631 0.000 2.328 217 K HA 0.378 4.712 4.320 0.024 0.000 0.246 217 K C -2.717 173.626 176.600 -0.428 0.000 0.955 217 K CA -1.967 54.093 56.287 -0.378 0.000 0.817 217 K CB 2.270 34.615 32.500 -0.258 0.000 1.208 217 K HN 0.482 nan 8.250 nan 0.000 0.432 218 P HA 0.154 nan 4.420 nan 0.000 0.276 218 P C 0.470 177.694 177.300 -0.126 0.000 1.261 218 P CA -0.225 62.801 63.100 -0.123 0.000 0.800 218 P CB 0.458 32.127 31.700 -0.050 0.000 1.066 219 T N -1.026 113.481 114.554 -0.077 0.000 2.746 219 T HA -0.043 4.322 4.350 0.024 0.000 0.267 219 T C 0.619 175.278 174.700 -0.068 0.000 1.039 219 T CA 1.614 63.675 62.100 -0.065 0.000 1.142 219 T CB -0.612 68.236 68.868 -0.033 0.000 0.866 219 T HN 0.437 nan 8.240 nan 0.000 0.444 220 T N 3.710 118.231 114.554 -0.055 0.000 2.728 220 T HA 0.457 4.822 4.350 0.024 0.000 0.296 220 T C -0.237 174.420 174.700 -0.072 0.000 0.940 220 T CA -0.589 61.472 62.100 -0.066 0.000 1.013 220 T CB 0.614 69.462 68.868 -0.034 0.000 0.912 220 T HN 0.478 nan 8.240 nan 0.000 0.484 221 Q N 2.414 122.154 119.800 -0.100 0.000 2.511 221 Q HA 0.599 4.954 4.340 0.024 0.000 0.289 221 Q C -1.265 174.667 176.000 -0.113 0.000 1.021 221 Q CA -1.165 54.568 55.803 -0.117 0.000 0.785 221 Q CB 1.280 29.925 28.738 -0.155 0.000 1.472 221 Q HN 0.462 nan 8.270 nan 0.000 0.411 222 I N 2.519 123.000 120.570 -0.147 0.000 2.452 222 I HA 0.026 4.210 4.170 0.024 0.000 0.287 222 I C 0.771 176.794 176.117 -0.157 0.000 1.079 222 I CA 0.034 61.270 61.300 -0.106 0.000 1.387 222 I CB 1.071 38.972 38.000 -0.165 0.000 1.404 222 I HN 0.876 nan 8.210 nan 0.000 0.522 223 S N 2.582 118.292 115.700 0.017 0.000 2.511 223 S HA 0.207 4.692 4.470 0.024 0.000 0.214 223 S C 0.145 174.950 174.600 0.341 0.000 0.997 223 S CA -0.274 57.999 58.200 0.122 0.000 0.908 223 S CB 0.216 63.450 63.200 0.056 0.000 0.803 223 S HN 0.731 nan 8.310 nan 0.000 0.504 224 D N -0.274 120.327 120.400 0.335 0.000 2.742 224 D HA 0.508 5.162 4.640 0.024 0.000 0.262 224 D C -1.954 174.532 176.300 0.309 0.000 1.240 224 D CA -0.695 53.511 54.000 0.342 0.000 0.752 224 D CB 1.399 42.295 40.800 0.161 0.000 1.290 224 D HN 0.179 nan 8.370 nan 0.000 0.420 225 F N -0.803 119.214 119.950 0.111 0.000 2.672 225 F HA 0.587 5.129 4.527 0.025 0.000 0.311 225 F C -1.555 174.317 175.800 0.120 0.000 1.113 225 F CA -0.779 57.209 58.000 -0.019 0.000 0.996 225 F CB 1.088 40.126 39.000 0.063 0.000 1.286 225 F HN 0.256 nan 8.300 nan 0.000 0.441 226 H N 1.572 120.698 119.070 0.093 0.000 2.529 226 H HA 0.771 5.342 4.556 0.025 0.000 0.348 226 H C -1.329 174.035 175.328 0.060 0.000 1.079 226 H CA -1.516 54.527 56.048 -0.008 0.000 1.198 226 H CB 2.666 32.414 29.762 -0.024 0.000 1.521 226 H HN 0.609 nan 8.280 nan 0.000 0.514 227 V N 2.367 122.375 119.914 0.157 0.000 2.448 227 V HA 0.618 4.753 4.120 0.024 0.000 0.295 227 V C -0.242 175.847 176.094 -0.008 0.000 1.025 227 V CA -0.559 61.787 62.300 0.078 0.000 0.859 227 V CB 1.277 33.141 31.823 0.070 0.000 0.988 227 V HN 0.924 nan 8.190 nan 0.000 0.431 228 A N 3.423 126.219 122.820 -0.040 0.000 2.380 228 A HA 0.964 5.298 4.320 0.024 0.000 0.315 228 A C -0.087 177.402 177.584 -0.159 0.000 1.101 228 A CA -0.505 51.489 52.037 -0.072 0.000 0.771 228 A CB 1.882 20.860 19.000 -0.035 0.000 1.287 228 A HN 0.938 nan 8.150 nan 0.000 0.436 229 T N -0.197 114.246 114.554 -0.184 0.000 2.949 229 T HA 0.696 5.060 4.350 0.024 0.000 0.300 229 T C -0.591 173.916 174.700 -0.320 0.000 0.988 229 T CA -0.792 61.102 62.100 -0.342 0.000 0.993 229 T CB 0.845 69.381 68.868 -0.553 0.000 0.984 229 T HN 0.786 nan 8.240 nan 0.000 0.442 230 R N 2.287 122.540 120.500 -0.411 0.000 2.732 230 R HA 0.857 5.212 4.340 0.024 0.000 0.278 230 R C -1.203 174.789 176.300 -0.513 0.000 0.976 230 R CA -0.836 55.111 56.100 -0.256 0.000 0.963 230 R CB 1.298 31.550 30.300 -0.081 0.000 1.150 230 R HN 0.508 nan 8.270 nan 0.000 0.478 231 F N 0.103 120.045 119.950 -0.013 0.000 2.631 231 F HA 0.396 4.937 4.527 0.022 0.000 0.328 231 F C 0.338 176.015 175.800 -0.206 0.000 1.067 231 F CA -1.118 56.821 58.000 -0.100 0.000 0.969 231 F CB 1.266 40.132 39.000 -0.224 0.000 1.332 231 F HN 0.620 nan 8.300 nan 0.000 0.490 232 N N -0.165 118.521 118.700 -0.023 0.000 2.364 232 N HA 0.068 4.823 4.740 0.024 0.000 0.264 232 N C 0.404 175.765 175.510 -0.249 0.000 1.263 232 N CA -0.208 52.785 53.050 -0.096 0.000 0.959 232 N CB 0.046 38.502 38.487 -0.051 0.000 1.204 232 N HN 0.663 nan 8.380 nan 0.000 0.550 233 D N -1.507 118.793 120.400 -0.166 0.000 2.182 233 D HA -0.223 4.432 4.640 0.024 0.000 0.201 233 D C 0.062 176.257 176.300 -0.174 0.000 0.986 233 D CA 1.435 55.333 54.000 -0.169 0.000 0.847 233 D CB -0.522 40.243 40.800 -0.057 0.000 0.942 233 D HN 0.729 nan 8.370 nan 0.000 0.467 234 D N -1.667 118.677 120.400 -0.094 0.000 2.538 234 D HA 0.059 4.714 4.640 0.024 0.000 0.231 234 D C -0.003 176.432 176.300 0.225 0.000 1.229 234 D CA -1.069 52.988 54.000 0.095 0.000 0.828 234 D CB -1.105 39.760 40.800 0.108 0.000 1.035 234 D HN 0.153 nan 8.370 nan 0.000 0.495 235 F N 0.394 120.401 119.950 0.094 0.000 3.034 235 F HA -0.291 4.250 4.527 0.023 0.000 0.286 235 F C 1.615 177.502 175.800 0.145 0.000 0.804 235 F CA 0.844 58.919 58.000 0.124 0.000 1.161 235 F CB -2.493 36.481 39.000 -0.044 0.000 1.317 235 F HN 0.236 nan 8.300 nan 0.000 0.453 236 S N -0.983 114.821 115.700 0.175 0.000 2.548 236 S HA 0.299 4.784 4.470 0.024 0.000 0.215 236 S C 0.588 175.240 174.600 0.086 0.000 0.976 236 S CA -0.103 58.173 58.200 0.126 0.000 0.908 236 S CB 0.379 63.630 63.200 0.085 0.000 0.781 236 S HN 0.461 nan 8.310 nan 0.000 0.519 237 R N 0.204 120.759 120.500 0.092 0.000 2.651 237 R HA 0.811 5.166 4.340 0.024 0.000 0.278 237 R C -1.361 174.961 176.300 0.037 0.000 1.010 237 R CA -0.503 55.617 56.100 0.034 0.000 0.896 237 R CB 2.096 32.395 30.300 -0.001 0.000 1.211 237 R HN 0.203 nan 8.270 nan 0.000 0.456 238 A N 1.591 124.374 122.820 -0.061 0.000 2.515 238 A HA 0.740 5.074 4.320 0.024 0.000 0.296 238 A C -1.247 176.252 177.584 -0.142 0.000 1.094 238 A CA -0.729 51.186 52.037 -0.202 0.000 0.718 238 A CB 2.138 20.973 19.000 -0.275 0.000 1.307 238 A HN 0.336 nan 8.150 nan 0.000 0.408 239 V N 1.683 121.489 119.914 -0.179 0.000 2.444 239 V HA 0.404 4.539 4.120 0.024 0.000 0.294 239 V C -0.457 175.575 176.094 -0.103 0.000 1.022 239 V CA -0.324 61.912 62.300 -0.107 0.000 0.850 239 V CB 1.287 33.052 31.823 -0.097 0.000 0.992 239 V HN 0.791 nan 8.190 nan 0.000 0.426 240 L N 4.665 125.866 121.223 -0.038 0.000 2.265 240 L HA 0.565 4.920 4.340 0.024 0.000 0.288 240 L C 0.042 176.871 176.870 -0.068 0.000 1.058 240 L CA 0.208 55.002 54.840 -0.077 0.000 0.809 240 L CB 0.961 43.005 42.059 -0.025 0.000 1.179 240 L HN 0.743 nan 8.230 nan 0.000 0.429 241 E N 4.014 124.170 120.200 -0.073 0.000 2.199 241 E HA 0.651 5.016 4.350 0.024 0.000 0.265 241 E C -1.374 175.218 176.600 -0.013 0.000 0.882 241 E CA -0.765 55.611 56.400 -0.040 0.000 0.759 241 E CB 1.709 31.387 29.700 -0.037 0.000 1.148 241 E HN 0.699 nan 8.360 nan 0.000 0.412 242 A N 4.520 127.339 122.820 -0.002 0.000 2.310 242 A HA 0.303 4.637 4.320 0.024 0.000 0.304 242 A C -0.615 176.978 177.584 0.015 0.000 1.231 242 A CA -0.624 51.433 52.037 0.034 0.000 0.799 242 A CB 0.920 19.942 19.000 0.035 0.000 1.162 242 A HN 0.709 nan 8.150 nan 0.000 0.486 243 E N 2.578 122.786 120.200 0.014 0.000 2.200 243 E HA 0.528 4.893 4.350 0.024 0.000 0.283 243 E C -1.252 175.312 176.600 -0.061 0.000 1.015 243 E CA -0.331 56.037 56.400 -0.053 0.000 0.819 243 E CB 1.080 30.714 29.700 -0.111 0.000 1.081 243 E HN 0.376 nan 8.360 nan 0.000 0.397 244 V N 4.715 124.617 119.914 -0.019 0.000 2.604 244 V HA 0.295 4.429 4.120 0.024 0.000 0.305 244 V C -0.459 175.715 176.094 0.134 0.000 1.043 244 V CA -0.784 61.557 62.300 0.067 0.000 0.888 244 V CB 1.756 33.608 31.823 0.049 0.000 0.995 244 V HN 0.752 nan 8.190 nan 0.000 0.429 245 Q N 4.029 123.904 119.800 0.126 0.000 2.345 245 Q HA 0.837 5.192 4.340 0.024 0.000 0.268 245 Q C -0.807 175.248 176.000 0.093 0.000 1.054 245 Q CA -0.830 55.042 55.803 0.115 0.000 0.835 245 Q CB 2.726 31.466 28.738 0.003 0.000 1.339 245 Q HN 0.834 nan 8.270 nan 0.000 0.447 246 M N -1.077 118.467 119.600 -0.094 0.000 2.662 246 M HA 0.775 5.269 4.480 0.024 0.000 0.310 246 M C -1.319 174.859 176.300 -0.203 0.000 1.204 246 M CA -0.463 54.703 55.300 -0.223 0.000 0.891 246 M CB 1.786 34.021 32.600 -0.608 0.000 1.732 246 M HN 0.501 nan 8.290 nan 0.000 0.467 247 C N 0.999 120.204 119.300 -0.159 0.000 2.614 247 C HA 1.036 5.511 4.460 0.024 0.000 0.320 247 C C 0.585 175.493 174.990 -0.136 0.000 1.200 247 C CA 0.497 59.444 59.018 -0.119 0.000 1.700 247 C CB 0.959 28.660 27.740 -0.066 0.000 2.275 247 C HN 1.351 nan 8.230 nan 0.000 0.492 248 G N 1.612 110.344 108.800 -0.113 0.000 2.434 248 G HA2 0.058 4.033 3.960 0.024 0.000 0.671 248 G HA3 0.058 4.033 3.960 0.024 0.000 0.671 248 G C -1.090 173.739 174.900 -0.118 0.000 1.280 248 G CA -0.514 44.524 45.100 -0.102 0.000 0.975 248 G HN 0.962 nan 8.290 nan 0.000 0.510 249 E N -0.184 119.956 120.200 -0.099 0.000 2.259 249 E HA 0.452 4.816 4.350 0.024 0.000 0.281 249 E C 0.428 176.934 176.600 -0.156 0.000 1.037 249 E CA -0.602 55.735 56.400 -0.105 0.000 0.854 249 E CB 0.400 30.059 29.700 -0.068 0.000 1.051 249 E HN 0.486 nan 8.360 nan 0.000 0.409 250 L N 4.872 125.995 121.223 -0.168 0.000 2.426 250 L HA 0.291 4.646 4.340 0.024 0.000 0.271 250 L C 0.404 177.145 176.870 -0.215 0.000 1.169 250 L CA -0.033 54.685 54.840 -0.204 0.000 0.836 250 L CB 0.404 42.370 42.059 -0.156 0.000 1.112 250 L HN 0.529 nan 8.230 nan 0.000 0.465 251 R N 1.564 121.889 120.500 -0.292 0.000 2.626 251 R HA 0.174 4.529 4.340 0.024 0.000 0.274 251 R C -0.325 175.732 176.300 -0.405 0.000 1.031 251 R CA -0.779 55.051 56.100 -0.451 0.000 0.898 251 R CB 1.490 31.172 30.300 -1.029 0.000 1.222 251 R HN 0.521 nan 8.270 nan 0.000 0.455 252 D N 1.068 121.299 120.400 -0.282 0.000 2.263 252 D HA -0.138 4.517 4.640 0.024 0.000 0.208 252 D C 1.427 177.676 176.300 -0.086 0.000 0.971 252 D CA 1.552 55.474 54.000 -0.130 0.000 0.867 252 D CB 0.145 40.919 40.800 -0.042 0.000 0.929 252 D HN 0.568 nan 8.370 nan 0.000 0.492 253 Y N -0.154 120.157 120.300 0.017 0.000 2.529 253 Y HA 0.276 4.840 4.550 0.025 0.000 0.290 253 Y C 0.762 176.662 175.900 0.000 0.000 1.177 253 Y CA -0.514 57.592 58.100 0.010 0.000 1.305 253 Y CB -0.954 37.513 38.460 0.013 0.000 1.047 253 Y HN -0.199 nan 8.280 nan 0.000 0.522 254 L N 2.520 123.717 121.223 -0.044 0.000 2.439 254 L HA 0.329 4.684 4.340 0.024 0.000 0.269 254 L C 0.330 177.192 176.870 -0.014 0.000 1.179 254 L CA -0.087 54.792 54.840 0.066 0.000 0.828 254 L CB 0.512 42.632 42.059 0.103 0.000 1.106 254 L HN 0.165 nan 8.230 nan 0.000 0.467 255 R N 1.619 121.995 120.500 -0.207 0.000 2.799 255 R HA 0.691 5.046 4.340 0.024 0.000 0.270 255 R C -1.566 174.414 176.300 -0.534 0.000 1.010 255 R CA -0.812 55.018 56.100 -0.449 0.000 0.916 255 R CB 2.297 32.114 30.300 -0.806 0.000 1.228 255 R HN 0.272 nan 8.270 nan 0.000 0.469 256 V N 0.941 120.580 119.914 -0.459 0.000 2.588 256 V HA 0.455 4.590 4.120 0.024 0.000 0.304 256 V C -0.368 175.680 176.094 -0.076 0.000 1.042 256 V CA -0.546 61.588 62.300 -0.276 0.000 0.877 256 V CB 2.336 33.919 31.823 -0.399 0.000 0.996 256 V HN 0.719 nan 8.190 nan 0.000 0.425 257 T N 4.060 118.684 114.554 0.116 0.000 2.807 257 T HA 0.625 4.989 4.350 0.024 0.000 0.279 257 T C -0.630 174.087 174.700 0.028 0.000 0.993 257 T CA -0.355 61.812 62.100 0.111 0.000 0.970 257 T CB 1.639 70.599 68.868 0.153 0.000 0.950 257 T HN 0.340 nan 8.240 nan 0.000 0.441 258 V N 3.773 123.684 119.914 -0.006 0.000 2.448 258 V HA 0.664 4.799 4.120 0.024 0.000 0.295 258 V C 0.026 176.119 176.094 -0.001 0.000 1.025 258 V CA -0.746 61.548 62.300 -0.011 0.000 0.859 258 V CB 1.766 33.571 31.823 -0.031 0.000 0.988 258 V HN 1.038 nan 8.190 nan 0.000 0.431 259 S N 5.469 121.195 115.700 0.044 0.000 2.532 259 S HA 0.868 5.352 4.470 0.024 0.000 0.301 259 S C -1.111 173.504 174.600 0.025 0.000 1.083 259 S CA -0.740 57.459 58.200 -0.001 0.000 1.025 259 S CB 2.058 65.289 63.200 0.052 0.000 1.056 259 S HN 0.586 nan 8.310 nan 0.000 0.494 260 L N 2.431 123.562 121.223 -0.153 0.000 2.356 260 L HA 0.800 5.154 4.340 0.024 0.000 0.277 260 L C -1.963 174.819 176.870 -0.147 0.000 0.996 260 L CA -0.307 54.535 54.840 0.004 0.000 0.822 260 L CB 1.013 43.093 42.059 0.035 0.000 1.256 260 L HN 0.899 nan 8.230 nan 0.000 0.413 261 W N 3.421 124.828 121.300 0.179 0.000 2.689 261 W HA 0.656 5.331 4.660 0.024 0.000 0.340 261 W C -0.640 175.984 176.519 0.174 0.000 1.060 261 W CA -0.502 56.926 57.345 0.138 0.000 1.218 261 W CB 1.482 30.971 29.460 0.048 0.000 1.410 261 W HN 0.355 nan 8.180 nan 0.000 0.528 262 Q N 2.040 121.999 119.800 0.266 0.000 2.464 262 Q HA 0.509 4.864 4.340 0.024 0.000 0.256 262 Q C 0.447 176.479 176.000 0.054 0.000 1.020 262 Q CA 0.251 56.044 55.803 -0.016 0.000 0.716 262 Q CB 0.729 29.335 28.738 -0.219 0.000 1.230 262 Q HN 0.754 nan 8.270 nan 0.000 0.494 263 G N 3.061 111.895 108.800 0.056 0.000 2.583 263 G HA2 -0.341 3.634 3.960 0.024 0.000 0.292 263 G HA3 -0.341 3.634 3.960 0.024 0.000 0.292 263 G C 0.583 175.569 174.900 0.144 0.000 1.203 263 G CA 0.308 45.442 45.100 0.056 0.000 0.987 263 G HN 0.574 nan 8.290 nan 0.000 0.554 264 E N 0.911 121.186 120.200 0.125 0.000 2.478 264 E HA 0.101 4.466 4.350 0.024 0.000 0.194 264 E C 0.648 177.458 176.600 0.350 0.000 1.045 264 E CA 0.696 57.206 56.400 0.182 0.000 0.868 264 E CB 0.002 29.751 29.700 0.081 0.000 0.885 264 E HN 0.398 nan 8.360 nan 0.000 0.505 265 T N 1.179 115.890 114.554 0.261 0.000 2.817 265 T HA 0.099 4.464 4.350 0.024 0.000 0.293 265 T C -0.024 174.715 174.700 0.065 0.000 0.964 265 T CA -0.212 61.982 62.100 0.156 0.000 1.085 265 T CB 1.533 70.438 68.868 0.061 0.000 0.921 265 T HN 0.020 nan 8.240 nan 0.000 0.502 266 Q N 3.177 122.801 119.800 -0.293 0.000 2.323 266 Q HA 0.232 4.587 4.340 0.024 0.000 0.257 266 Q C 0.551 176.288 176.000 -0.439 0.000 1.022 266 Q CA -0.365 54.893 55.803 -0.909 0.000 0.919 266 Q CB 0.600 28.695 28.738 -1.070 0.000 1.220 266 Q HN 0.548 nan 8.270 nan 0.000 0.427 267 V N 3.070 122.790 119.914 -0.322 0.000 2.488 267 V HA 0.118 4.253 4.120 0.024 0.000 0.246 267 V C 0.447 176.439 176.094 -0.169 0.000 1.046 267 V CA 1.490 63.706 62.300 -0.140 0.000 1.053 267 V CB 0.050 31.888 31.823 0.025 0.000 0.679 267 V HN 0.814 nan 8.190 nan 0.000 0.458 268 A N -1.445 121.238 122.820 -0.228 0.000 2.608 268 A HA 0.751 5.086 4.320 0.024 0.000 0.292 268 A C -0.771 176.694 177.584 -0.199 0.000 1.066 268 A CA 0.095 52.028 52.037 -0.173 0.000 0.676 268 A CB 1.849 20.784 19.000 -0.110 0.000 1.277 268 A HN 0.091 nan 8.150 nan 0.000 0.413 269 S N -0.807 114.809 115.700 -0.139 0.000 2.542 269 S HA 0.755 5.239 4.470 0.024 0.000 0.276 269 S C -0.617 173.941 174.600 -0.069 0.000 1.148 269 S CA 0.269 58.403 58.200 -0.110 0.000 0.886 269 S CB 1.487 64.612 63.200 -0.125 0.000 1.109 269 S HN 2.369 nan 8.310 nan 0.000 0.458 270 G N 1.884 110.656 108.800 -0.046 0.000 2.719 270 G HA2 0.656 4.631 3.960 0.024 0.000 0.298 270 G HA3 0.656 4.631 3.960 0.024 0.000 0.298 270 G C -1.294 173.592 174.900 -0.023 0.000 1.411 270 G CA -0.417 44.660 45.100 -0.038 0.000 0.991 270 G HN 0.717 nan 8.290 nan 0.000 0.509 271 T N -0.193 114.351 114.554 -0.017 0.000 2.907 271 T HA 0.878 5.243 4.350 0.024 0.000 0.292 271 T C -0.357 174.313 174.700 -0.050 0.000 1.043 271 T CA -0.023 62.075 62.100 -0.003 0.000 1.003 271 T CB 1.887 70.792 68.868 0.061 0.000 1.084 271 T HN 1.615 nan 8.240 nan 0.000 0.483 272 A N 3.003 125.758 122.820 -0.108 0.000 2.605 272 A HA 0.852 5.187 4.320 0.024 0.000 0.294 272 A C -3.133 174.313 177.584 -0.230 0.000 1.062 272 A CA -1.455 50.499 52.037 -0.139 0.000 0.682 272 A CB 1.237 20.149 19.000 -0.145 0.000 1.278 272 A HN 0.529 nan 8.150 nan 0.000 0.410 273 P HA 0.565 nan 4.420 nan 0.000 0.278 273 P C -0.585 176.580 177.300 -0.224 0.000 1.266 273 P CA -0.285 62.714 63.100 -0.167 0.000 0.807 273 P CB 0.378 32.046 31.700 -0.053 0.000 1.094 274 F N -0.293 119.618 119.950 -0.064 0.000 2.444 274 F HA 0.484 5.026 4.527 0.024 0.000 0.331 274 F C 1.470 177.253 175.800 -0.029 0.000 1.167 274 F CA 1.455 59.427 58.000 -0.046 0.000 1.262 274 F CB 0.214 39.183 39.000 -0.051 0.000 1.196 274 F HN 0.568 nan 8.300 nan 0.000 0.583 275 G N 1.373 110.287 108.800 0.190 0.000 2.486 275 G HA2 0.379 4.354 3.960 0.024 0.000 0.220 275 G HA3 0.379 4.354 3.960 0.024 0.000 0.220 275 G C -0.493 174.458 174.900 0.086 0.000 1.313 275 G CA -0.692 44.477 45.100 0.114 0.000 1.187 275 G HN 1.023 nan 8.290 nan 0.000 0.599 276 G N 0.631 109.503 108.800 0.120 0.000 2.580 276 G HA2 0.693 4.667 3.960 0.024 0.000 0.278 276 G HA3 0.693 4.667 3.960 0.024 0.000 0.278 276 G C 0.434 175.379 174.900 0.075 0.000 1.212 276 G CA -0.001 45.161 45.100 0.103 0.000 0.939 276 G HN 1.099 nan 8.290 nan 0.000 0.513 277 E N -0.823 119.414 120.200 0.062 0.000 2.409 277 E HA 0.228 4.592 4.350 0.024 0.000 0.257 277 E C 0.006 176.633 176.600 0.045 0.000 1.150 277 E CA -0.608 55.816 56.400 0.042 0.000 0.942 277 E CB 0.938 30.658 29.700 0.033 0.000 0.979 277 E HN 0.305 nan 8.360 nan 0.000 0.447 278 I N 2.046 122.630 120.570 0.024 0.000 2.752 278 I HA -0.145 4.040 4.170 0.024 0.000 0.289 278 I C 0.737 176.867 176.117 0.021 0.000 1.197 278 I CA 0.162 61.469 61.300 0.012 0.000 1.432 278 I CB 0.282 38.284 38.000 0.003 0.000 1.359 278 I HN 0.650 nan 8.210 nan 0.000 0.571 279 I N 3.887 124.465 120.570 0.013 0.000 3.300 279 I HA 0.079 4.264 4.170 0.024 0.000 0.279 279 I C 0.484 176.606 176.117 0.007 0.000 1.172 279 I CA 0.911 62.229 61.300 0.030 0.000 1.431 279 I CB -0.558 37.468 38.000 0.042 0.000 1.240 279 I HN 0.676 nan 8.210 nan 0.000 0.453 280 D N -1.331 119.058 120.400 -0.018 0.000 2.921 280 D HA 0.120 4.774 4.640 0.024 0.000 0.329 280 D C 0.344 176.630 176.300 -0.024 0.000 1.293 280 D CA -0.422 53.568 54.000 -0.017 0.000 0.964 280 D CB 0.523 41.313 40.800 -0.017 0.000 1.435 280 D HN -0.275 nan 8.370 nan 0.000 0.548 281 E N -1.040 119.148 120.200 -0.020 0.000 2.331 281 E HA -0.063 4.302 4.350 0.024 0.000 0.199 281 E C 1.345 177.927 176.600 -0.030 0.000 1.008 281 E CA 0.975 57.362 56.400 -0.021 0.000 0.843 281 E CB -0.025 29.665 29.700 -0.016 0.000 0.761 281 E HN 0.211 nan 8.360 nan 0.000 0.507 282 R N -0.586 119.888 120.500 -0.043 0.000 2.312 282 R HA 0.290 4.644 4.340 0.024 0.000 0.205 282 R C 0.873 177.133 176.300 -0.068 0.000 0.904 282 R CA 0.730 56.797 56.100 -0.055 0.000 1.052 282 R CB 0.775 31.036 30.300 -0.066 0.000 1.014 282 R HN 0.211 nan 8.270 nan 0.000 0.503 283 G N -0.676 108.085 108.800 -0.065 0.000 2.341 283 G HA2 -0.042 3.933 3.960 0.024 0.000 0.196 283 G HA3 -0.042 3.933 3.960 0.024 0.000 0.196 283 G C -0.366 174.483 174.900 -0.086 0.000 1.231 283 G CA -0.612 44.450 45.100 -0.064 0.000 1.155 283 G HN 0.451 nan 8.290 nan 0.000 0.529 284 G N -1.985 106.761 108.800 -0.091 0.000 3.086 284 G HA2 0.644 4.618 3.960 0.024 0.000 0.282 284 G HA3 0.644 4.618 3.960 0.024 0.000 0.282 284 G C -1.649 173.159 174.900 -0.153 0.000 1.343 284 G CA -0.722 44.327 45.100 -0.086 0.000 0.895 284 G HN 0.775 nan 8.290 nan 0.000 0.557 285 Y N 1.069 121.381 120.300 0.020 0.000 2.477 285 Y HA 0.432 4.996 4.550 0.023 0.000 0.349 285 Y C 1.444 177.366 175.900 0.035 0.000 0.977 285 Y CA 0.129 58.244 58.100 0.024 0.000 1.214 285 Y CB 1.681 40.160 38.460 0.032 0.000 1.124 285 Y HN 0.547 nan 8.280 nan 0.000 0.521 286 A N 1.744 124.628 122.820 0.106 0.000 2.119 286 A HA -0.136 4.199 4.320 0.024 0.000 0.217 286 A C 1.296 178.944 177.584 0.106 0.000 1.153 286 A CA 1.367 53.455 52.037 0.085 0.000 0.692 286 A CB -0.275 18.736 19.000 0.019 0.000 0.799 286 A HN 0.783 nan 8.150 nan 0.000 0.458 287 D N -0.929 119.534 120.400 0.105 0.000 2.427 287 D HA 0.158 4.813 4.640 0.024 0.000 0.224 287 D C 0.512 176.877 176.300 0.108 0.000 1.157 287 D CA -0.051 53.926 54.000 -0.038 0.000 0.828 287 D CB 0.026 40.783 40.800 -0.072 0.000 0.974 287 D HN 0.376 nan 8.370 nan 0.000 0.498 288 R N -0.833 119.860 120.500 0.322 0.000 2.855 288 R HA 0.768 5.122 4.340 0.024 0.000 0.266 288 R C -1.575 174.906 176.300 0.302 0.000 1.034 288 R CA -1.176 55.121 56.100 0.329 0.000 0.944 288 R CB 2.948 33.309 30.300 0.102 0.000 1.219 288 R HN -0.021 nan 8.270 nan 0.000 0.474 289 V N 0.069 120.042 119.914 0.098 0.000 3.077 289 V HA 0.443 4.577 4.120 0.024 0.000 0.299 289 V C -1.614 174.438 176.094 -0.071 0.000 1.276 289 V CA -0.313 61.953 62.300 -0.058 0.000 0.993 289 V CB 2.746 34.396 31.823 -0.289 0.000 1.076 289 V HN 0.806 nan 8.190 nan 0.000 0.434 290 T N 7.262 121.781 114.554 -0.058 0.000 2.786 290 T HA 0.599 4.964 4.350 0.024 0.000 0.283 290 T C -0.911 173.754 174.700 -0.058 0.000 0.992 290 T CA -0.395 61.677 62.100 -0.047 0.000 0.954 290 T CB 1.013 69.867 68.868 -0.024 0.000 0.934 290 T HN 0.442 nan 8.240 nan 0.000 0.440 291 L N 3.685 124.873 121.223 -0.058 0.000 2.309 291 L HA 0.565 4.920 4.340 0.024 0.000 0.282 291 L C 0.445 177.289 176.870 -0.043 0.000 1.036 291 L CA -0.400 54.406 54.840 -0.057 0.000 0.806 291 L CB 1.430 43.453 42.059 -0.060 0.000 1.220 291 L HN 0.536 nan 8.230 nan 0.000 0.429 292 R N 4.167 124.642 120.500 -0.042 0.000 2.437 292 R HA 0.694 5.049 4.340 0.024 0.000 0.310 292 R C -1.119 175.155 176.300 -0.042 0.000 0.955 292 R CA -0.673 55.403 56.100 -0.041 0.000 0.851 292 R CB 2.067 32.343 30.300 -0.039 0.000 1.161 292 R HN 0.472 nan 8.270 nan 0.000 0.446 293 L N 2.871 124.069 121.223 -0.041 0.000 2.341 293 L HA 0.437 4.791 4.340 0.024 0.000 0.278 293 L C -0.299 176.544 176.870 -0.044 0.000 1.005 293 L CA -1.079 53.735 54.840 -0.043 0.000 0.818 293 L CB 1.810 43.847 42.059 -0.036 0.000 1.259 293 L HN 0.474 nan 8.230 nan 0.000 0.418 294 N N 2.331 120.999 118.700 -0.053 0.000 2.472 294 N HA 0.381 5.136 4.740 0.024 0.000 0.277 294 N C -0.861 174.602 175.510 -0.079 0.000 1.081 294 N CA -0.180 52.833 53.050 -0.061 0.000 0.973 294 N CB 2.543 40.997 38.487 -0.054 0.000 1.105 294 N HN 0.193 nan 8.380 nan 0.000 0.470 295 V N 2.385 122.237 119.914 -0.105 0.000 2.482 295 V HA 0.174 4.309 4.120 0.024 0.000 0.295 295 V C -0.149 175.858 176.094 -0.145 0.000 1.026 295 V CA -0.858 61.342 62.300 -0.168 0.000 0.856 295 V CB 1.937 33.550 31.823 -0.351 0.000 1.001 295 V HN 0.462 nan 8.190 nan 0.000 0.424 296 E N 3.010 123.150 120.200 -0.099 0.000 2.283 296 E HA 0.286 4.651 4.350 0.024 0.000 0.278 296 E C 0.354 176.924 176.600 -0.049 0.000 1.027 296 E CA -0.257 56.109 56.400 -0.056 0.000 0.843 296 E CB 0.565 30.244 29.700 -0.034 0.000 1.062 296 E HN 0.755 nan 8.360 nan 0.000 0.401 297 N N 1.006 119.701 118.700 -0.009 0.000 2.714 297 N HA -0.152 4.602 4.740 0.024 0.000 0.252 297 N C -2.427 173.082 175.510 -0.001 0.000 1.014 297 N CA 0.041 53.101 53.050 0.017 0.000 0.735 297 N CB -1.059 37.441 38.487 0.023 0.000 0.924 297 N HN 0.341 nan 8.380 nan 0.000 0.540 298 P HA -0.024 nan 4.420 nan 0.000 0.268 298 P C -0.402 176.931 177.300 0.054 0.000 1.208 298 P CA 0.457 63.452 63.100 -0.175 0.000 0.777 298 P CB 0.701 32.080 31.700 -0.535 0.000 0.875 299 K N 2.275 122.800 120.400 0.208 0.000 2.312 299 K HA 0.298 4.633 4.320 0.024 0.000 0.287 299 K C 0.202 176.968 176.600 0.276 0.000 1.062 299 K CA -0.425 55.976 56.287 0.191 0.000 0.934 299 K CB 0.236 32.820 32.500 0.141 0.000 1.027 299 K HN 0.407 nan 8.250 nan 0.000 0.478 300 L N 2.406 123.716 121.223 0.146 0.000 2.395 300 L HA 0.317 4.672 4.340 0.024 0.000 0.269 300 L C -0.041 176.910 176.870 0.135 0.000 1.133 300 L CA -0.806 54.121 54.840 0.145 0.000 0.812 300 L CB 0.370 42.362 42.059 -0.112 0.000 1.125 300 L HN 0.615 nan 8.230 nan 0.000 0.452 301 W N 2.854 124.190 121.300 0.060 0.000 2.438 301 W HA 0.513 5.187 4.660 0.023 0.000 0.324 301 W C -0.089 176.393 176.519 -0.062 0.000 1.119 301 W CA 0.073 57.443 57.345 0.041 0.000 1.221 301 W CB 1.366 30.902 29.460 0.126 0.000 1.253 301 W HN 0.643 nan 8.180 nan 0.000 0.555 302 S N 2.790 117.903 115.700 -0.977 0.000 2.643 302 S HA 0.639 5.124 4.470 0.024 0.000 0.270 302 S C 0.069 173.869 174.600 -1.332 0.000 1.166 302 S CA -0.371 57.294 58.200 -0.892 0.000 0.815 302 S CB 1.044 64.058 63.200 -0.310 0.000 1.139 302 S HN 0.998 nan 8.310 nan 0.000 0.472 303 A N 0.452 122.678 122.820 -0.991 0.000 2.014 303 A HA 0.070 4.405 4.320 0.024 0.000 0.218 303 A C 1.764 179.031 177.584 -0.528 0.000 1.163 303 A CA 1.389 52.866 52.037 -0.934 0.000 0.652 303 A CB -0.973 17.352 19.000 -1.124 0.000 0.808 303 A HN 0.860 nan 8.150 nan 0.000 0.449 304 E N -0.779 119.246 120.200 -0.293 0.000 2.072 304 E HA 0.011 4.375 4.350 0.024 0.000 0.191 304 E C -0.251 176.211 176.600 -0.230 0.000 0.985 304 E CA 0.748 57.033 56.400 -0.192 0.000 0.801 304 E CB -0.014 29.704 29.700 0.031 0.000 0.750 304 E HN 0.597 nan 8.360 nan 0.000 0.452 305 I N 1.546 121.956 120.570 -0.267 0.000 2.560 305 I HA 0.146 4.330 4.170 0.024 0.000 0.278 305 I C -2.539 173.362 176.117 -0.360 0.000 1.089 305 I CA -1.891 59.274 61.300 -0.226 0.000 1.086 305 I CB 2.405 40.323 38.000 -0.137 0.000 1.202 305 I HN -0.222 nan 8.210 nan 0.000 0.471 306 P HA 0.098 nan 4.420 nan 0.000 0.226 306 P C -0.608 176.667 177.300 -0.042 0.000 1.783 306 P CA -0.294 62.510 63.100 -0.493 0.000 0.980 306 P CB -0.243 31.321 31.700 -0.227 0.000 1.967 307 N N 1.872 120.579 118.700 0.012 0.000 2.447 307 N HA 0.108 4.863 4.740 0.024 0.000 0.263 307 N C 0.100 175.822 175.510 0.353 0.000 1.226 307 N CA 0.559 53.694 53.050 0.142 0.000 0.906 307 N CB 0.639 39.215 38.487 0.147 0.000 1.060 307 N HN 0.308 nan 8.380 nan 0.000 0.468 308 L N 2.320 123.684 121.223 0.236 0.000 2.371 308 L HA 0.489 4.844 4.340 0.024 0.000 0.262 308 L C -0.817 176.158 176.870 0.174 0.000 1.006 308 L CA -0.871 54.164 54.840 0.325 0.000 0.818 308 L CB 1.319 43.529 42.059 0.251 0.000 1.354 308 L HN 0.371 nan 8.230 nan 0.000 0.415 309 Y N 0.137 120.587 120.300 0.249 0.000 2.650 309 Y HA 0.687 5.252 4.550 0.025 0.000 0.331 309 Y C -0.246 175.775 175.900 0.202 0.000 1.082 309 Y CA -0.909 57.337 58.100 0.244 0.000 1.171 309 Y CB 1.637 40.298 38.460 0.335 0.000 1.326 309 Y HN 0.374 nan 8.280 nan 0.000 0.513 310 R N 0.925 121.661 120.500 0.393 0.000 2.480 310 R HA 0.804 5.159 4.340 0.024 0.000 0.306 310 R C -1.682 174.808 176.300 0.316 0.000 0.958 310 R CA -0.523 55.739 56.100 0.270 0.000 0.861 310 R CB 1.143 31.546 30.300 0.172 0.000 1.171 310 R HN 0.746 nan 8.270 nan 0.000 0.445 311 A N 3.798 126.748 122.820 0.218 0.000 2.276 311 A HA 0.636 4.971 4.320 0.024 0.000 0.316 311 A C -1.020 176.626 177.584 0.103 0.000 1.229 311 A CA -0.616 51.523 52.037 0.170 0.000 0.851 311 A CB 1.237 20.307 19.000 0.115 0.000 1.165 311 A HN 0.483 nan 8.150 nan 0.000 0.513 312 V N 3.472 123.451 119.914 0.109 0.000 2.448 312 V HA 0.411 4.546 4.120 0.024 0.000 0.295 312 V C -0.449 175.622 176.094 -0.039 0.000 1.025 312 V CA -0.478 61.827 62.300 0.009 0.000 0.859 312 V CB 1.715 33.562 31.823 0.041 0.000 0.988 312 V HN 0.638 nan 8.190 nan 0.000 0.431 313 V N 4.852 124.674 119.914 -0.153 0.000 2.357 313 V HA 0.463 4.597 4.120 0.024 0.000 0.284 313 V C -0.140 175.901 176.094 -0.088 0.000 1.018 313 V CA -0.597 61.601 62.300 -0.170 0.000 0.841 313 V CB 1.525 33.100 31.823 -0.413 0.000 0.991 313 V HN 0.925 nan 8.190 nan 0.000 0.437 314 E N 3.760 123.959 120.200 -0.001 0.000 2.183 314 E HA 0.555 4.919 4.350 0.024 0.000 0.271 314 E C -1.097 175.590 176.600 0.145 0.000 0.919 314 E CA -0.889 55.553 56.400 0.071 0.000 0.781 314 E CB 2.699 32.462 29.700 0.104 0.000 1.140 314 E HN 0.494 nan 8.360 nan 0.000 0.402 315 L N 4.180 125.475 121.223 0.119 0.000 2.272 315 L HA 0.428 4.783 4.340 0.024 0.000 0.289 315 L C -1.004 175.972 176.870 0.178 0.000 1.032 315 L CA 0.149 55.056 54.840 0.112 0.000 0.810 315 L CB 0.196 42.307 42.059 0.086 0.000 1.205 315 L HN 0.699 nan 8.230 nan 0.000 0.422 316 H N 0.188 119.301 119.070 0.072 0.000 2.933 316 H HA 0.790 5.361 4.556 0.024 0.000 0.310 316 H C -0.769 174.628 175.328 0.114 0.000 1.351 316 H CA -0.531 55.560 56.048 0.071 0.000 1.137 316 H CB 0.758 30.543 29.762 0.039 0.000 1.853 316 H HN 0.522 nan 8.280 nan 0.000 0.539 317 T N -2.272 112.422 114.554 0.233 0.000 2.927 317 T HA 0.552 4.917 4.350 0.024 0.000 0.281 317 T C 1.376 176.211 174.700 0.224 0.000 0.998 317 T CA -0.408 61.809 62.100 0.195 0.000 1.019 317 T CB 1.531 70.449 68.868 0.084 0.000 1.061 317 T HN 0.925 nan 8.240 nan 0.000 0.518 318 A N 1.123 124.045 122.820 0.170 0.000 2.024 318 A HA -0.087 4.248 4.320 0.024 0.000 0.220 318 A C 1.846 179.503 177.584 0.121 0.000 1.164 318 A CA 1.791 53.914 52.037 0.144 0.000 0.643 318 A CB -1.054 18.018 19.000 0.121 0.000 0.806 318 A HN 0.983 nan 8.150 nan 0.000 0.451 319 D N -2.398 118.048 120.400 0.076 0.000 2.363 319 D HA 0.259 4.914 4.640 0.024 0.000 0.226 319 D C 1.166 177.495 176.300 0.048 0.000 1.020 319 D CA 1.125 55.149 54.000 0.039 0.000 0.892 319 D CB -0.402 40.392 40.800 -0.010 0.000 0.900 319 D HN 0.770 nan 8.370 nan 0.000 0.531 320 G N -0.882 107.978 108.800 0.101 0.000 2.218 320 G HA2 -0.222 3.752 3.960 0.024 0.000 0.216 320 G HA3 -0.222 3.752 3.960 0.024 0.000 0.216 320 G C 0.338 175.258 174.900 0.034 0.000 0.994 320 G CA 0.059 45.187 45.100 0.046 0.000 0.637 320 G HN 0.409 nan 8.290 nan 0.000 0.505 321 T N 2.249 116.839 114.554 0.061 0.000 2.799 321 T HA 0.442 4.806 4.350 0.024 0.000 0.296 321 T C 0.401 175.155 174.700 0.090 0.000 0.947 321 T CA -0.002 62.125 62.100 0.045 0.000 1.141 321 T CB 1.642 70.522 68.868 0.020 0.000 0.891 321 T HN 0.554 nan 8.240 nan 0.000 0.533 322 L N 4.983 126.240 121.223 0.056 0.000 2.410 322 L HA 0.269 4.624 4.340 0.024 0.000 0.273 322 L C 0.830 177.746 176.870 0.077 0.000 1.152 322 L CA 0.471 55.358 54.840 0.078 0.000 0.855 322 L CB 0.081 42.159 42.059 0.032 0.000 1.129 322 L HN 0.693 nan 8.230 nan 0.000 0.463 323 I N 2.710 123.338 120.570 0.098 0.000 2.512 323 I HA 0.121 4.305 4.170 0.024 0.000 0.247 323 I C 0.322 176.463 176.117 0.039 0.000 1.094 323 I CA 0.458 61.796 61.300 0.064 0.000 1.427 323 I CB 0.162 38.205 38.000 0.073 0.000 1.149 323 I HN 0.812 nan 8.210 nan 0.000 0.438 324 E N 0.015 120.240 120.200 0.042 0.000 2.432 324 E HA 0.728 5.093 4.350 0.024 0.000 0.279 324 E C -1.447 175.177 176.600 0.040 0.000 1.099 324 E CA -1.124 55.293 56.400 0.028 0.000 0.859 324 E CB 1.718 31.401 29.700 -0.028 0.000 1.402 324 E HN -0.019 nan 8.360 nan 0.000 0.451 325 A N 0.815 123.681 122.820 0.077 0.000 2.449 325 A HA 0.688 5.023 4.320 0.024 0.000 0.302 325 A C -1.124 176.567 177.584 0.179 0.000 1.048 325 A CA -0.745 51.342 52.037 0.084 0.000 0.708 325 A CB 1.707 20.756 19.000 0.082 0.000 1.274 325 A HN 0.487 nan 8.150 nan 0.000 0.410 326 E N -0.275 119.958 120.200 0.055 0.000 2.339 326 E HA 0.852 5.216 4.350 0.024 0.000 0.262 326 E C -0.495 176.128 176.600 0.038 0.000 0.934 326 E CA -0.529 55.949 56.400 0.130 0.000 0.802 326 E CB 2.417 32.071 29.700 -0.077 0.000 1.275 326 E HN 1.236 nan 8.360 nan 0.000 0.427 327 A N -0.097 122.860 122.820 0.227 0.000 2.601 327 A HA 0.724 5.059 4.320 0.024 0.000 0.291 327 A C -1.149 176.625 177.584 0.317 0.000 1.075 327 A CA -0.396 51.717 52.037 0.127 0.000 0.671 327 A CB 0.769 19.774 19.000 0.009 0.000 1.277 327 A HN 0.872 nan 8.150 nan 0.000 0.417 328 C N -0.538 118.904 119.300 0.236 0.000 3.311 328 C HA 0.804 5.278 4.460 0.024 0.000 0.325 328 C C -1.323 173.768 174.990 0.169 0.000 1.352 328 C CA -0.926 58.241 59.018 0.249 0.000 1.308 328 C CB 1.053 28.972 27.740 0.298 0.000 1.619 328 C HN 0.833 nan 8.230 nan 0.000 0.469 329 D N 0.809 121.293 120.400 0.140 0.000 2.304 329 D HA 0.565 5.219 4.640 0.024 0.000 0.247 329 D C -0.389 175.970 176.300 0.098 0.000 1.089 329 D CA 0.185 54.267 54.000 0.138 0.000 0.910 329 D CB 1.882 42.766 40.800 0.139 0.000 1.199 329 D HN 0.548 nan 8.370 nan 0.000 0.426 330 V N 0.644 120.642 119.914 0.140 0.000 2.604 330 V HA 0.666 4.801 4.120 0.024 0.000 0.305 330 V C 0.461 176.619 176.094 0.107 0.000 1.043 330 V CA -0.815 61.511 62.300 0.044 0.000 0.888 330 V CB 2.136 33.967 31.823 0.012 0.000 0.995 330 V HN 0.621 nan 8.190 nan 0.000 0.429 331 G N 2.736 111.503 108.800 -0.054 0.000 2.557 331 G HA2 0.620 4.594 3.960 0.024 0.000 0.310 331 G HA3 0.620 4.594 3.960 0.024 0.000 0.310 331 G C -1.106 173.865 174.900 0.118 0.000 1.328 331 G CA -0.401 44.758 45.100 0.098 0.000 0.945 331 G HN 0.405 nan 8.290 nan 0.000 0.494 332 F N 3.968 124.120 119.950 0.335 0.000 2.434 332 F HA 0.451 4.992 4.527 0.024 0.000 0.358 332 F C 1.151 177.222 175.800 0.453 0.000 1.136 332 F CA -0.153 58.111 58.000 0.439 0.000 1.157 332 F CB 0.656 39.933 39.000 0.462 0.000 1.167 332 F HN 0.453 nan 8.300 nan 0.000 0.539 333 R N 2.914 123.717 120.500 0.505 0.000 2.663 333 R HA 0.426 4.781 4.340 0.024 0.000 0.267 333 R C -1.869 174.571 176.300 0.234 0.000 1.038 333 R CA -0.798 55.430 56.100 0.214 0.000 0.886 333 R CB 1.677 32.153 30.300 0.293 0.000 1.249 333 R HN 0.585 nan 8.270 nan 0.000 0.463 334 E N 2.104 122.334 120.200 0.050 0.000 2.199 334 E HA 0.498 4.863 4.350 0.024 0.000 0.269 334 E C -1.276 175.386 176.600 0.103 0.000 0.899 334 E CA -0.954 55.558 56.400 0.187 0.000 0.772 334 E CB 2.229 32.092 29.700 0.270 0.000 1.155 334 E HN 0.405 nan 8.360 nan 0.000 0.408 335 V N 5.166 125.140 119.914 0.100 0.000 2.487 335 V HA 0.594 4.729 4.120 0.024 0.000 0.298 335 V C -0.281 175.852 176.094 0.064 0.000 1.028 335 V CA -0.717 61.615 62.300 0.055 0.000 0.860 335 V CB 1.311 33.147 31.823 0.022 0.000 0.991 335 V HN 0.748 nan 8.190 nan 0.000 0.427 336 R N 3.993 124.527 120.500 0.056 0.000 2.710 336 R HA 0.747 5.101 4.340 0.024 0.000 0.270 336 R C -1.938 174.388 176.300 0.043 0.000 1.021 336 R CA -0.952 55.184 56.100 0.060 0.000 0.889 336 R CB 2.060 32.408 30.300 0.081 0.000 1.243 336 R HN 0.507 nan 8.270 nan 0.000 0.464 337 I N 1.124 121.720 120.570 0.043 0.000 2.336 337 I HA 0.336 4.521 4.170 0.024 0.000 0.292 337 I C -0.501 175.638 176.117 0.036 0.000 0.991 337 I CA -0.394 60.926 61.300 0.033 0.000 1.227 337 I CB 1.801 39.822 38.000 0.036 0.000 1.366 337 I HN 0.697 nan 8.210 nan 0.000 0.466 338 E N 5.670 125.887 120.200 0.029 0.000 2.290 338 E HA 0.246 4.611 4.350 0.024 0.000 0.274 338 E C -0.219 176.394 176.600 0.022 0.000 0.889 338 E CA -0.564 55.854 56.400 0.031 0.000 0.760 338 E CB 1.076 30.801 29.700 0.040 0.000 1.206 338 E HN 0.537 nan 8.360 nan 0.000 0.419 339 N N 3.119 121.831 118.700 0.021 0.000 2.708 339 N HA -0.241 4.514 4.740 0.024 0.000 0.249 339 N C 0.446 175.961 175.510 0.009 0.000 1.097 339 N CA 2.151 55.210 53.050 0.015 0.000 0.710 339 N CB -1.164 37.331 38.487 0.013 0.000 1.032 339 N HN 0.980 nan 8.380 nan 0.000 0.551 340 G N -2.368 106.438 108.800 0.010 0.000 2.176 340 G HA2 -0.272 3.703 3.960 0.024 0.000 0.253 340 G HA3 -0.272 3.703 3.960 0.024 0.000 0.253 340 G C -0.125 174.770 174.900 -0.009 0.000 0.979 340 G CA 0.436 45.538 45.100 0.003 0.000 0.641 340 G HN 0.459 nan 8.290 nan 0.000 0.530 341 L N 0.136 121.354 121.223 -0.008 0.000 2.365 341 L HA 0.699 5.054 4.340 0.024 0.000 0.273 341 L C 0.094 176.953 176.870 -0.019 0.000 1.000 341 L CA -1.337 53.490 54.840 -0.022 0.000 0.819 341 L CB 1.885 43.930 42.059 -0.023 0.000 1.284 341 L HN 0.095 nan 8.230 nan 0.000 0.418 342 L N 4.487 125.687 121.223 -0.038 0.000 2.315 342 L HA 0.434 4.788 4.340 0.024 0.000 0.283 342 L C -0.803 176.041 176.870 -0.044 0.000 1.089 342 L CA 0.494 55.312 54.840 -0.037 0.000 0.833 342 L CB 0.202 42.226 42.059 -0.059 0.000 1.170 342 L HN 0.393 nan 8.230 nan 0.000 0.442 343 L N 5.605 126.818 121.223 -0.017 0.000 2.333 343 L HA 0.583 4.938 4.340 0.024 0.000 0.269 343 L C -0.896 175.970 176.870 -0.007 0.000 1.010 343 L CA -0.945 53.889 54.840 -0.010 0.000 0.818 343 L CB 2.018 44.096 42.059 0.030 0.000 1.306 343 L HN 0.543 nan 8.230 nan 0.000 0.430 344 L N 2.669 123.896 121.223 0.006 0.000 2.376 344 L HA 0.483 4.838 4.340 0.024 0.000 0.275 344 L C -0.306 176.570 176.870 0.010 0.000 0.987 344 L CA -0.077 54.775 54.840 0.020 0.000 0.828 344 L CB 1.108 43.187 42.059 0.033 0.000 1.249 344 L HN 0.597 nan 8.230 nan 0.000 0.409 345 N N 3.994 122.551 118.700 -0.238 0.000 2.721 345 N HA -0.219 4.536 4.740 0.024 0.000 0.249 345 N C 0.916 176.039 175.510 -0.645 0.000 1.072 345 N CA 1.408 53.963 53.050 -0.826 0.000 0.710 345 N CB -1.311 36.638 38.487 -0.897 0.000 0.993 345 N HN 1.197 nan 8.380 nan 0.000 0.547 346 G N -2.096 106.628 108.800 -0.127 0.000 2.184 346 G HA2 -0.351 3.624 3.960 0.024 0.000 0.264 346 G HA3 -0.351 3.624 3.960 0.024 0.000 0.264 346 G C -0.119 174.811 174.900 0.050 0.000 0.975 346 G CA 0.888 46.041 45.100 0.088 0.000 0.642 346 G HN 0.403 nan 8.290 nan 0.000 0.536 347 K N 0.678 121.097 120.400 0.031 0.000 2.259 347 K HA 0.544 4.879 4.320 0.024 0.000 0.252 347 K C -2.747 173.819 176.600 -0.056 0.000 0.936 347 K CA -2.329 53.938 56.287 -0.034 0.000 0.810 347 K CB 2.626 35.032 32.500 -0.158 0.000 1.143 347 K HN 0.084 nan 8.250 nan 0.000 0.427 348 P HA 0.203 nan 4.420 nan 0.000 0.276 348 P C -0.147 177.082 177.300 -0.118 0.000 1.243 348 P CA -0.261 62.789 63.100 -0.084 0.000 0.768 348 P CB 0.669 32.324 31.700 -0.075 0.000 0.856 349 L N 3.267 124.415 121.223 -0.125 0.000 2.456 349 L HA 0.333 4.688 4.340 0.024 0.000 0.257 349 L C 0.620 177.404 176.870 -0.143 0.000 1.162 349 L CA -0.757 53.997 54.840 -0.144 0.000 0.808 349 L CB 0.481 42.412 42.059 -0.213 0.000 1.136 349 L HN 0.281 nan 8.230 nan 0.000 0.466 350 L N 3.310 124.466 121.223 -0.112 0.000 2.388 350 L HA 0.412 4.767 4.340 0.024 0.000 0.267 350 L C -0.545 176.276 176.870 -0.081 0.000 0.995 350 L CA -0.190 54.569 54.840 -0.135 0.000 0.864 350 L CB 0.847 42.856 42.059 -0.083 0.000 1.216 350 L HN 0.239 nan 8.230 nan 0.000 0.430 351 I N 4.856 125.313 120.570 -0.187 0.000 2.421 351 I HA 0.178 4.362 4.170 0.024 0.000 0.291 351 I C 0.557 176.641 176.117 -0.055 0.000 1.089 351 I CA 0.237 61.442 61.300 -0.159 0.000 1.354 351 I CB 0.363 38.133 38.000 -0.383 0.000 1.413 351 I HN 0.575 nan 8.210 nan 0.000 0.513 352 R N 4.828 125.383 120.500 0.091 0.000 3.070 352 R HA 0.437 4.791 4.340 0.024 0.000 0.252 352 R C 0.493 176.930 176.300 0.227 0.000 1.370 352 R CA -0.272 55.936 56.100 0.180 0.000 1.482 352 R CB 0.910 31.132 30.300 -0.129 0.000 1.220 352 R HN 0.778 nan 8.270 nan 0.000 0.622 353 G N 0.141 109.039 108.800 0.164 0.000 2.552 353 G HA2 0.599 4.574 3.960 0.024 0.000 0.324 353 G HA3 0.599 4.574 3.960 0.024 0.000 0.324 353 G C -1.296 173.920 174.900 0.527 0.000 1.217 353 G CA -0.448 44.737 45.100 0.142 0.000 0.989 353 G HN 0.232 nan 8.290 nan 0.000 0.490 354 V N -0.090 120.112 119.914 0.481 0.000 3.012 354 V HA 0.467 4.601 4.120 0.024 0.000 0.307 354 V C -1.186 175.063 176.094 0.258 0.000 1.166 354 V CA -1.196 61.273 62.300 0.282 0.000 0.974 354 V CB 2.244 33.952 31.823 -0.191 0.000 1.040 354 V HN 0.759 nan 8.190 nan 0.000 0.428 355 N N 4.125 122.895 118.700 0.117 0.000 2.518 355 N HA 0.471 5.225 4.740 0.024 0.000 0.283 355 N C -0.768 174.580 175.510 -0.270 0.000 1.119 355 N CA -0.334 52.651 53.050 -0.108 0.000 0.983 355 N CB 1.583 39.951 38.487 -0.198 0.000 1.139 355 N HN 0.641 nan 8.380 nan 0.000 0.465 356 R N 2.125 122.425 120.500 -0.332 0.000 2.502 356 R HA 0.214 4.568 4.340 0.024 0.000 0.298 356 R C -0.928 175.144 176.300 -0.380 0.000 1.018 356 R CA -0.552 55.376 56.100 -0.287 0.000 0.899 356 R CB 0.774 30.878 30.300 -0.327 0.000 1.181 356 R HN 0.591 nan 8.270 nan 0.000 0.444 357 H N 2.144 121.089 119.070 -0.208 0.000 2.547 357 H HA 0.110 4.681 4.556 0.025 0.000 0.362 357 H C -0.458 174.878 175.328 0.014 0.000 1.181 357 H CA 0.169 56.182 56.048 -0.058 0.000 1.376 357 H CB 1.352 31.136 29.762 0.036 0.000 1.488 357 H HN 0.556 nan 8.280 nan 0.000 0.583 358 E N 1.799 122.186 120.200 0.312 0.000 1.996 358 E HA 0.097 4.462 4.350 0.024 0.000 0.280 358 E C -0.725 176.030 176.600 0.258 0.000 1.092 358 E CA -0.032 56.476 56.400 0.181 0.000 0.862 358 E CB 0.264 30.084 29.700 0.199 0.000 1.066 358 E HN 0.377 nan 8.360 nan 0.000 0.396 359 H N 1.729 120.865 119.070 0.109 0.000 2.865 359 H HA 0.255 4.826 4.556 0.024 0.000 0.362 359 H C -1.659 173.732 175.328 0.106 0.000 1.114 359 H CA -0.680 55.429 56.048 0.103 0.000 1.208 359 H CB 1.070 30.886 29.762 0.089 0.000 1.727 359 H HN 0.394 nan 8.280 nan 0.000 0.534 360 H N 6.280 124.974 119.070 -0.627 0.000 2.609 360 H HA 0.227 4.798 4.556 0.024 0.000 0.344 360 H C -2.285 172.661 175.328 -0.636 0.000 1.040 360 H CA -2.465 53.334 56.048 -0.415 0.000 1.216 360 H CB 2.683 32.357 29.762 -0.148 0.000 1.529 360 H HN 0.547 nan 8.280 nan 0.000 0.519 361 P HA -0.078 nan 4.420 nan 0.000 0.222 361 P C 1.171 178.360 177.300 -0.185 0.000 1.147 361 P CA 0.694 63.619 63.100 -0.292 0.000 0.790 361 P CB 0.908 32.479 31.700 -0.215 0.000 0.780 362 L N -1.976 119.265 121.223 0.030 0.000 2.388 362 L HA 0.133 4.488 4.340 0.024 0.000 0.209 362 L C 2.107 178.771 176.870 -0.343 0.000 1.061 362 L CA 0.695 55.409 54.840 -0.210 0.000 0.834 362 L CB -0.409 41.404 42.059 -0.410 0.000 1.029 362 L HN -0.044 nan 8.230 nan 0.000 0.473 363 H N -0.991 118.069 119.070 -0.016 0.000 2.551 363 H HA 0.284 4.855 4.556 0.024 0.000 0.271 363 H C 1.375 176.604 175.328 -0.166 0.000 0.984 363 H CA 0.255 56.192 56.048 -0.185 0.000 1.164 363 H CB 0.418 29.964 29.762 -0.359 0.000 1.437 363 H HN 0.373 nan 8.280 nan 0.000 0.550 364 G N 1.444 110.169 108.800 -0.126 0.000 2.595 364 G HA2 -0.396 3.578 3.960 0.024 0.000 0.297 364 G HA3 -0.396 3.578 3.960 0.024 0.000 0.297 364 G C 0.728 175.555 174.900 -0.123 0.000 1.181 364 G CA 0.438 45.417 45.100 -0.202 0.000 0.963 364 G HN 0.470 nan 8.290 nan 0.000 0.541 365 Q N -0.081 119.670 119.800 -0.083 0.000 2.219 365 Q HA 0.489 4.843 4.340 0.024 0.000 0.209 365 Q C 0.271 176.366 176.000 0.159 0.000 0.854 365 Q CA -0.103 55.691 55.803 -0.015 0.000 0.960 365 Q CB 1.527 30.149 28.738 -0.194 0.000 1.116 365 Q HN 0.363 nan 8.270 nan 0.000 0.500 366 V N 2.178 122.164 119.914 0.120 0.000 2.461 366 V HA 0.180 4.314 4.120 0.024 0.000 0.275 366 V C 0.126 176.266 176.094 0.075 0.000 1.047 366 V CA 0.076 62.453 62.300 0.129 0.000 0.955 366 V CB 0.984 32.816 31.823 0.015 0.000 0.988 366 V HN 0.328 nan 8.190 nan 0.000 0.471 367 M N 5.549 125.197 119.600 0.080 0.000 2.363 367 M HA 0.489 4.984 4.480 0.024 0.000 0.343 367 M C -0.401 175.848 176.300 -0.085 0.000 1.165 367 M CA -0.471 54.830 55.300 0.002 0.000 1.046 367 M CB 1.719 34.288 32.600 -0.051 0.000 1.648 367 M HN 0.814 nan 8.290 nan 0.000 0.452 368 D N 0.546 120.907 120.400 -0.064 0.000 2.490 368 D HA 0.219 4.873 4.640 0.024 0.000 0.232 368 D C 0.129 176.408 176.300 -0.036 0.000 1.053 368 D CA -0.450 53.513 54.000 -0.061 0.000 0.914 368 D CB 1.910 42.696 40.800 -0.025 0.000 1.431 368 D HN 0.723 nan 8.370 nan 0.000 0.483 369 E N -0.188 120.003 120.200 -0.014 0.000 2.110 369 E HA -0.251 4.113 4.350 0.024 0.000 0.193 369 E C 1.388 178.029 176.600 0.069 0.000 0.988 369 E CA 1.296 57.715 56.400 0.032 0.000 0.804 369 E CB 0.200 29.933 29.700 0.055 0.000 0.745 369 E HN 0.251 nan 8.360 nan 0.000 0.458 370 Q N 0.093 119.934 119.800 0.069 0.000 2.096 370 Q HA -0.113 4.242 4.340 0.024 0.000 0.204 370 Q C 2.167 178.227 176.000 0.101 0.000 0.982 370 Q CA 2.129 57.983 55.803 0.085 0.000 0.850 370 Q CB -0.718 28.070 28.738 0.083 0.000 0.901 370 Q HN 0.295 nan 8.270 nan 0.000 0.422 371 T N 0.356 114.980 114.554 0.116 0.000 2.821 371 T HA -0.080 4.284 4.350 0.024 0.000 0.267 371 T C 1.829 176.610 174.700 0.135 0.000 1.046 371 T CA 1.239 63.423 62.100 0.140 0.000 1.139 371 T CB -0.140 68.842 68.868 0.190 0.000 0.871 371 T HN 0.229 nan 8.240 nan 0.000 0.454 372 M N 0.614 120.293 119.600 0.131 0.000 2.086 372 M HA -0.099 4.396 4.480 0.024 0.000 0.261 372 M C 2.474 178.886 176.300 0.188 0.000 1.067 372 M CA 1.368 56.808 55.300 0.232 0.000 1.116 372 M CB -0.680 32.089 32.600 0.282 0.000 1.348 372 M HN 0.095 nan 8.290 nan 0.000 0.407 373 V N 0.282 120.252 119.914 0.093 0.000 2.343 373 V HA -0.306 3.829 4.120 0.024 0.000 0.247 373 V C 2.340 178.418 176.094 -0.026 0.000 1.051 373 V CA 2.107 64.395 62.300 -0.020 0.000 1.036 373 V CB -0.917 30.932 31.823 0.043 0.000 0.654 373 V HN 0.565 nan 8.190 nan 0.000 0.451 374 Q N -0.316 119.521 119.800 0.062 0.000 2.096 374 Q HA -0.272 4.083 4.340 0.024 0.000 0.204 374 Q C 1.974 178.050 176.000 0.127 0.000 0.982 374 Q CA 2.160 58.017 55.803 0.090 0.000 0.850 374 Q CB -0.123 28.684 28.738 0.115 0.000 0.901 374 Q HN 0.635 nan 8.270 nan 0.000 0.422 375 D N 0.349 120.839 120.400 0.151 0.000 2.084 375 D HA -0.147 4.507 4.640 0.024 0.000 0.194 375 D C 1.946 178.210 176.300 -0.060 0.000 0.990 375 D CA 1.186 55.278 54.000 0.153 0.000 0.826 375 D CB -0.271 40.591 40.800 0.103 0.000 0.971 375 D HN 0.338 nan 8.370 nan 0.000 0.453 376 I N 0.736 121.256 120.570 -0.083 0.000 2.208 376 I HA -0.257 3.927 4.170 0.024 0.000 0.245 376 I C 2.448 178.433 176.117 -0.220 0.000 1.097 376 I CA 0.735 61.883 61.300 -0.254 0.000 1.363 376 I CB -0.125 37.591 38.000 -0.474 0.000 1.051 376 I HN 0.016 nan 8.210 nan 0.000 0.413 377 L N -0.089 121.039 121.223 -0.158 0.000 2.056 377 L HA -0.214 4.140 4.340 0.024 0.000 0.207 377 L C 2.528 179.476 176.870 0.129 0.000 1.078 377 L CA 1.320 56.157 54.840 -0.004 0.000 0.749 377 L CB -0.461 41.613 42.059 0.025 0.000 0.901 377 L HN 0.289 nan 8.230 nan 0.000 0.433 378 L N -1.036 120.290 121.223 0.171 0.000 2.083 378 L HA -0.234 4.121 4.340 0.024 0.000 0.209 378 L C 2.658 179.727 176.870 0.331 0.000 1.083 378 L CA 1.212 56.245 54.840 0.323 0.000 0.752 378 L CB -0.278 42.095 42.059 0.523 0.000 0.899 378 L HN 0.273 nan 8.230 nan 0.000 0.433 379 M N -0.558 119.062 119.600 0.033 0.000 2.065 379 M HA -0.266 4.228 4.480 0.024 0.000 0.259 379 M C 2.323 178.743 176.300 0.200 0.000 1.071 379 M CA 1.940 57.194 55.300 -0.077 0.000 1.109 379 M CB -0.341 31.973 32.600 -0.476 0.000 1.313 379 M HN 0.060 nan 8.290 nan 0.000 0.408 380 K N -0.138 120.283 120.400 0.035 0.000 2.057 380 K HA -0.200 4.135 4.320 0.024 0.000 0.207 380 K C 1.983 178.617 176.600 0.056 0.000 1.049 380 K CA 1.440 57.659 56.287 -0.114 0.000 0.931 380 K CB -0.256 32.029 32.500 -0.357 0.000 0.714 380 K HN 0.468 nan 8.250 nan 0.000 0.440 381 Q N 0.361 120.349 119.800 0.315 0.000 2.226 381 Q HA -0.058 4.296 4.340 0.024 0.000 0.204 381 Q C 0.897 177.218 176.000 0.535 0.000 0.975 381 Q CA 0.804 56.891 55.803 0.473 0.000 0.866 381 Q CB 0.098 29.087 28.738 0.418 0.000 0.915 381 Q HN 0.282 nan 8.270 nan 0.000 0.440 382 N N 0.739 119.708 118.700 0.448 0.000 2.295 382 N HA 0.034 4.789 4.740 0.024 0.000 0.221 382 N C -0.596 175.037 175.510 0.205 0.000 1.129 382 N CA 0.052 53.361 53.050 0.430 0.000 0.836 382 N CB 0.596 39.422 38.487 0.565 0.000 1.040 382 N HN 0.161 nan 8.380 nan 0.000 0.494 383 N N 0.183 119.010 118.700 0.211 0.000 2.741 383 N HA -0.189 4.565 4.740 0.024 0.000 0.250 383 N C -0.956 174.466 175.510 -0.145 0.000 1.115 383 N CA 0.789 53.913 53.050 0.124 0.000 0.724 383 N CB -1.779 36.703 38.487 -0.009 0.000 1.090 383 N HN 0.253 nan 8.380 nan 0.000 0.558 384 F N 0.909 120.902 119.950 0.072 0.000 2.385 384 F HA 0.326 4.867 4.527 0.024 0.000 0.336 384 F C 1.695 177.504 175.800 0.015 0.000 1.100 384 F CA -0.663 57.359 58.000 0.036 0.000 1.116 384 F CB 0.919 39.915 39.000 -0.006 0.000 1.166 384 F HN 0.048 nan 8.300 nan 0.000 0.511 385 N N 0.807 119.627 118.700 0.201 0.000 2.160 385 N HA 0.467 5.222 4.740 0.024 0.000 0.226 385 N C -0.871 174.697 175.510 0.098 0.000 1.256 385 N CA -0.057 53.040 53.050 0.079 0.000 0.890 385 N CB 0.782 39.354 38.487 0.141 0.000 1.116 385 N HN 0.477 nan 8.380 nan 0.000 0.517 386 A N -0.640 122.308 122.820 0.214 0.000 2.612 386 A HA 0.751 5.086 4.320 0.024 0.000 0.293 386 A C -1.808 176.009 177.584 0.389 0.000 1.075 386 A CA -0.685 51.543 52.037 0.318 0.000 0.680 386 A CB 1.704 20.906 19.000 0.336 0.000 1.279 386 A HN 0.262 nan 8.150 nan 0.000 0.411 387 V N 0.988 121.181 119.914 0.464 0.000 2.888 387 V HA 0.821 4.955 4.120 0.024 0.000 0.309 387 V C -0.705 175.542 176.094 0.254 0.000 1.114 387 V CA -0.691 61.835 62.300 0.376 0.000 0.940 387 V CB 1.910 33.875 31.823 0.237 0.000 1.021 387 V HN 1.162 nan 8.190 nan 0.000 0.426 388 R N 4.894 125.379 120.500 -0.026 0.000 2.338 388 R HA 0.489 4.844 4.340 0.024 0.000 0.317 388 R C -0.739 175.424 176.300 -0.228 0.000 0.968 388 R CA -0.454 55.431 56.100 -0.357 0.000 0.849 388 R CB 1.158 31.004 30.300 -0.756 0.000 1.128 388 R HN 0.809 nan 8.270 nan 0.000 0.448 389 C N 4.531 123.726 119.300 -0.174 0.000 3.329 389 C HA 0.089 4.563 4.460 0.024 0.000 0.537 389 C C 0.537 175.242 174.990 -0.475 0.000 1.034 389 C CA -0.333 58.531 59.018 -0.256 0.000 1.086 389 C CB -2.113 25.598 27.740 -0.049 0.000 1.392 389 C HN 0.740 nan 8.230 nan 0.000 0.612 390 S N 1.740 117.031 115.700 -0.683 0.000 2.466 390 S HA 0.120 4.605 4.470 0.024 0.000 0.286 390 S C -0.112 173.563 174.600 -1.541 0.000 1.221 390 S CA 0.285 57.798 58.200 -1.146 0.000 1.091 390 S CB -0.000 62.501 63.200 -1.165 0.000 0.956 390 S HN 0.737 nan 8.310 nan 0.000 0.501 391 H N 3.750 122.182 119.070 -1.064 0.000 2.514 391 H HA 0.317 4.887 4.556 0.024 0.000 0.226 391 H C -1.169 174.018 175.328 -0.235 0.000 1.421 391 H CA -0.370 55.460 56.048 -0.364 0.000 1.394 391 H CB -0.083 29.682 29.762 0.005 0.000 1.701 391 H HN 0.890 nan 8.280 nan 0.000 0.515 392 Y N -2.585 117.817 120.300 0.171 0.000 2.765 392 Y HA 0.394 4.959 4.550 0.025 0.000 0.350 392 Y C -3.322 172.687 175.900 0.180 0.000 1.196 392 Y CA -3.008 55.203 58.100 0.185 0.000 1.119 392 Y CB 0.029 38.604 38.460 0.192 0.000 1.368 392 Y HN -0.061 nan 8.280 nan 0.000 0.463 393 P HA 0.179 nan 4.420 nan 0.000 0.271 393 P C -0.611 176.978 177.300 0.482 0.000 1.216 393 P CA 0.085 63.434 63.100 0.416 0.000 0.776 393 P CB 0.599 32.474 31.700 0.292 0.000 0.881 394 N N 0.591 119.600 118.700 0.515 0.000 2.447 394 N HA 0.085 4.840 4.740 0.024 0.000 0.271 394 N C 0.158 175.925 175.510 0.429 0.000 1.226 394 N CA -0.567 52.706 53.050 0.373 0.000 0.980 394 N CB 0.327 38.840 38.487 0.044 0.000 1.206 394 N HN 0.602 nan 8.380 nan 0.000 0.558 395 H N 2.086 121.272 119.070 0.192 0.000 3.038 395 H HA -0.005 4.565 4.556 0.024 0.000 0.338 395 H C -1.626 173.881 175.328 0.298 0.000 1.041 395 H CA -0.749 55.397 56.048 0.163 0.000 1.394 395 H CB 0.968 30.789 29.762 0.097 0.000 1.357 395 H HN 0.426 nan 8.280 nan 0.000 0.600 396 P HA -0.199 nan 4.420 nan 0.000 0.218 396 P C 1.828 179.450 177.300 0.537 0.000 1.148 396 P CA 0.738 64.084 63.100 0.412 0.000 0.822 396 P CB 0.215 32.005 31.700 0.150 0.000 0.784 397 L N -1.051 120.574 121.223 0.670 0.000 2.191 397 L HA -0.044 4.311 4.340 0.024 0.000 0.212 397 L C 2.399 179.442 176.870 0.288 0.000 1.103 397 L CA 1.357 56.433 54.840 0.394 0.000 0.769 397 L CB -1.365 40.853 42.059 0.265 0.000 0.908 397 L HN 0.013 nan 8.230 nan 0.000 0.438 398 W N -0.576 120.761 121.300 0.062 0.000 2.338 398 W HA -0.336 4.338 4.660 0.024 0.000 0.304 398 W C 2.039 178.409 176.519 -0.247 0.000 1.212 398 W CA 1.842 59.090 57.345 -0.161 0.000 1.264 398 W CB -0.326 28.939 29.460 -0.325 0.000 1.142 398 W HN 0.258 nan 8.180 nan 0.000 0.512 399 Y N 0.691 120.915 120.300 -0.126 0.000 2.242 399 Y HA -0.216 4.348 4.550 0.024 0.000 0.291 399 Y C 2.852 178.517 175.900 -0.392 0.000 1.137 399 Y CA 2.152 59.963 58.100 -0.482 0.000 1.181 399 Y CB -1.187 36.667 38.460 -1.010 0.000 0.989 399 Y HN -0.218 nan 8.280 nan 0.000 0.527 400 T N 0.738 115.295 114.554 0.005 0.000 2.684 400 T HA -0.194 4.170 4.350 0.024 0.000 0.267 400 T C 1.997 176.734 174.700 0.062 0.000 1.036 400 T CA 1.576 63.760 62.100 0.139 0.000 1.148 400 T CB -0.582 68.415 68.868 0.216 0.000 0.863 400 T HN 0.240 nan 8.240 nan 0.000 0.436 401 L N 0.306 121.526 121.223 -0.005 0.000 2.093 401 L HA -0.094 4.261 4.340 0.024 0.000 0.208 401 L C 2.879 179.730 176.870 -0.032 0.000 1.085 401 L CA 0.906 55.771 54.840 0.041 0.000 0.755 401 L CB -0.704 41.338 42.059 -0.028 0.000 0.904 401 L HN 0.393 nan 8.230 nan 0.000 0.435 402 C N -0.287 118.822 119.300 -0.318 0.000 2.440 402 C HA -0.123 4.352 4.460 0.024 0.000 0.278 402 C C 2.389 177.416 174.990 0.061 0.000 1.295 402 C CA 0.263 59.128 59.018 -0.255 0.000 1.738 402 C CB -0.764 26.716 27.740 -0.434 0.000 1.987 402 C HN 0.533 nan 8.230 nan 0.000 0.492 403 D N 0.544 120.985 120.400 0.070 0.000 2.117 403 D HA -0.100 4.554 4.640 0.024 0.000 0.197 403 D C 2.390 178.895 176.300 0.341 0.000 0.987 403 D CA 1.213 55.332 54.000 0.198 0.000 0.829 403 D CB -0.323 40.562 40.800 0.141 0.000 0.961 403 D HN 0.534 nan 8.370 nan 0.000 0.460 404 R N -1.148 119.453 120.500 0.168 0.000 2.140 404 R HA 0.036 4.391 4.340 0.024 0.000 0.213 404 R C 1.962 178.236 176.300 -0.044 0.000 1.059 404 R CA 0.364 56.504 56.100 0.067 0.000 1.000 404 R CB -0.028 30.241 30.300 -0.052 0.000 0.910 404 R HN 0.243 nan 8.270 nan 0.000 0.455 405 Y N 0.039 120.357 120.300 0.031 0.000 2.420 405 Y HA 0.181 4.746 4.550 0.024 0.000 0.292 405 Y C 0.987 176.832 175.900 -0.091 0.000 1.119 405 Y CA 0.920 59.013 58.100 -0.012 0.000 1.229 405 Y CB 0.630 39.054 38.460 -0.061 0.000 1.026 405 Y HN 0.207 nan 8.280 nan 0.000 0.554 406 G N 1.109 109.957 108.800 0.080 0.000 2.897 406 G HA2 -0.130 3.845 3.960 0.024 0.000 0.436 406 G HA3 -0.130 3.845 3.960 0.024 0.000 0.436 406 G C -1.199 173.572 174.900 -0.215 0.000 1.079 406 G CA -0.536 44.497 45.100 -0.111 0.000 1.090 406 G HN 0.157 nan 8.290 nan 0.000 0.480 407 L N 1.469 122.631 121.223 -0.101 0.000 2.482 407 L HA 0.500 4.855 4.340 0.024 0.000 0.263 407 L C -0.367 176.501 176.870 -0.004 0.000 0.957 407 L CA -1.369 53.367 54.840 -0.174 0.000 0.836 407 L CB 1.872 43.852 42.059 -0.131 0.000 1.324 407 L HN 0.405 nan 8.230 nan 0.000 0.406 408 Y N 1.746 122.185 120.300 0.232 0.000 2.346 408 Y HA 0.428 4.994 4.550 0.027 0.000 0.330 408 Y C 0.281 176.316 175.900 0.225 0.000 1.178 408 Y CA -0.537 57.735 58.100 0.286 0.000 1.331 408 Y CB 1.133 39.737 38.460 0.241 0.000 1.253 408 Y HN 0.107 nan 8.280 nan 0.000 0.529 409 V N 3.393 123.497 119.914 0.317 0.000 2.656 409 V HA 0.384 4.519 4.120 0.024 0.000 0.307 409 V C -0.786 175.392 176.094 0.140 0.000 1.051 409 V CA -1.101 61.324 62.300 0.208 0.000 0.893 409 V CB 2.149 34.047 31.823 0.125 0.000 0.999 409 V HN 0.452 nan 8.190 nan 0.000 0.426 410 V N 3.240 123.204 119.914 0.083 0.000 2.348 410 V HA 0.313 4.448 4.120 0.024 0.000 0.270 410 V C -0.263 175.870 176.094 0.065 0.000 1.037 410 V CA -0.320 61.980 62.300 0.001 0.000 0.872 410 V CB 1.347 33.067 31.823 -0.173 0.000 1.002 410 V HN 0.881 nan 8.190 nan 0.000 0.464 411 D N 4.247 124.729 120.400 0.137 0.000 2.249 411 D HA 0.313 4.968 4.640 0.024 0.000 0.246 411 D C -0.232 176.270 176.300 0.338 0.000 1.114 411 D CA -0.089 54.094 54.000 0.306 0.000 0.854 411 D CB 1.285 42.317 40.800 0.386 0.000 1.132 411 D HN 0.687 nan 8.370 nan 0.000 0.461 412 E N 2.010 122.369 120.200 0.266 0.000 2.199 412 E HA 0.614 4.979 4.350 0.024 0.000 0.265 412 E C -1.031 175.710 176.600 0.235 0.000 0.882 412 E CA -1.047 55.494 56.400 0.234 0.000 0.759 412 E CB 1.334 31.126 29.700 0.153 0.000 1.148 412 E HN 0.468 nan 8.360 nan 0.000 0.412 413 A N 3.839 126.789 122.820 0.216 0.000 2.483 413 A HA 0.060 4.395 4.320 0.024 0.000 0.238 413 A C 0.314 178.024 177.584 0.211 0.000 1.070 413 A CA -0.202 51.942 52.037 0.178 0.000 0.770 413 A CB 0.145 19.215 19.000 0.117 0.000 1.008 413 A HN 0.710 nan 8.150 nan 0.000 0.497 414 N N 1.223 120.055 118.700 0.219 0.000 3.050 414 N HA 0.265 5.020 4.740 0.024 0.000 0.289 414 N C -1.052 174.591 175.510 0.222 0.000 1.209 414 N CA 0.207 53.423 53.050 0.276 0.000 1.154 414 N CB -0.769 37.885 38.487 0.278 0.000 1.444 414 N HN 0.471 nan 8.380 nan 0.000 0.529 415 I N 1.151 121.845 120.570 0.208 0.000 2.468 415 I HA 0.274 4.459 4.170 0.024 0.000 0.284 415 I C -0.621 175.603 176.117 0.178 0.000 1.038 415 I CA -0.639 60.766 61.300 0.175 0.000 1.083 415 I CB 1.698 39.773 38.000 0.126 0.000 1.223 415 I HN 0.297 nan 8.210 nan 0.000 0.443 416 E N 4.341 124.641 120.200 0.167 0.000 2.287 416 E HA 0.374 4.738 4.350 0.024 0.000 0.274 416 E C -0.632 176.034 176.600 0.108 0.000 0.896 416 E CA -0.505 55.964 56.400 0.114 0.000 0.788 416 E CB 1.655 31.409 29.700 0.089 0.000 1.244 416 E HN 0.570 nan 8.360 nan 0.000 0.408 417 T N 0.671 115.280 114.554 0.091 0.000 3.448 417 T HA 0.165 4.530 4.350 0.024 0.000 0.271 417 T C 0.843 175.592 174.700 0.081 0.000 1.002 417 T CA -0.328 61.855 62.100 0.139 0.000 0.995 417 T CB -0.306 68.627 68.868 0.109 0.000 1.153 417 T HN 0.679 nan 8.240 nan 0.000 0.510 418 H N 1.134 120.118 119.070 -0.144 0.000 2.394 418 H HA -0.065 4.507 4.556 0.025 0.000 0.297 418 H C 2.275 177.482 175.328 -0.201 0.000 1.113 418 H CA 1.380 57.318 56.048 -0.185 0.000 1.277 418 H CB -0.150 29.464 29.762 -0.246 0.000 1.370 418 H HN 0.591 nan 8.280 nan 0.000 0.506 419 G N 0.010 108.688 108.800 -0.203 0.000 2.848 419 G HA2 -0.024 3.951 3.960 0.024 0.000 0.208 419 G HA3 -0.024 3.951 3.960 0.024 0.000 0.208 419 G C 0.439 175.469 174.900 0.216 0.000 1.152 419 G CA -0.151 44.850 45.100 -0.165 0.000 0.789 419 G HN 0.137 nan 8.290 nan 0.000 0.531 420 M N 0.303 120.066 119.600 0.272 0.000 2.202 420 M HA 0.392 4.887 4.480 0.024 0.000 0.316 420 M C -0.438 175.901 176.300 0.064 0.000 1.138 420 M CA -0.446 54.958 55.300 0.173 0.000 1.151 420 M CB 1.456 34.108 32.600 0.086 0.000 1.422 420 M HN -0.212 nan 8.290 nan 0.000 0.471 421 V N 3.447 123.375 119.914 0.022 0.000 2.524 421 V HA 0.373 4.507 4.120 0.024 0.000 0.297 421 V C -1.967 174.118 176.094 -0.015 0.000 1.035 421 V CA -1.255 61.044 62.300 -0.002 0.000 0.867 421 V CB 1.942 33.758 31.823 -0.011 0.000 1.004 421 V HN 0.746 nan 8.190 nan 0.000 0.426 422 P HA 0.229 nan 4.420 nan 0.000 0.277 422 P C 0.972 178.272 177.300 0.000 0.000 1.276 422 P CA -0.479 62.615 63.100 -0.010 0.000 0.788 422 P CB 1.041 32.736 31.700 -0.008 0.000 1.114 423 M N 0.484 120.089 119.600 0.008 0.000 2.279 423 M HA -0.155 4.339 4.480 0.024 0.000 0.264 423 M C 1.161 177.481 176.300 0.032 0.000 1.062 423 M CA 1.712 57.026 55.300 0.024 0.000 1.099 423 M CB -0.441 32.161 32.600 0.004 0.000 1.394 423 M HN 0.368 nan 8.290 nan 0.000 0.426 424 N N -0.119 118.599 118.700 0.031 0.000 2.295 424 N HA -0.053 4.702 4.740 0.024 0.000 0.221 424 N C 1.073 176.563 175.510 -0.034 0.000 1.129 424 N CA 0.052 53.121 53.050 0.032 0.000 0.836 424 N CB -0.674 37.848 38.487 0.059 0.000 1.040 424 N HN 0.358 nan 8.380 nan 0.000 0.494 425 R N 0.439 120.906 120.500 -0.057 0.000 2.103 425 R HA -0.017 4.338 4.340 0.024 0.000 0.242 425 R C 1.390 177.594 176.300 -0.159 0.000 1.142 425 R CA 1.396 57.441 56.100 -0.092 0.000 0.960 425 R CB -0.042 30.199 30.300 -0.099 0.000 0.858 425 R HN 0.290 nan 8.270 nan 0.000 0.439 426 L N -0.549 120.518 121.223 -0.261 0.000 2.202 426 L HA -0.002 4.353 4.340 0.024 0.000 0.205 426 L C 2.513 179.256 176.870 -0.213 0.000 1.083 426 L CA 1.284 55.853 54.840 -0.452 0.000 0.790 426 L CB -0.517 41.014 42.059 -0.881 0.000 0.942 426 L HN 0.367 nan 8.230 nan 0.000 0.452 427 T N -4.298 110.156 114.554 -0.166 0.000 3.007 427 T HA -0.160 4.205 4.350 0.024 0.000 0.270 427 T C 1.290 175.896 174.700 -0.156 0.000 1.107 427 T CA 1.159 63.141 62.100 -0.197 0.000 1.118 427 T CB -0.210 68.488 68.868 -0.284 0.000 0.889 427 T HN 0.089 nan 8.240 nan 0.000 0.506 428 D N 1.218 121.563 120.400 -0.093 0.000 2.349 428 D HA 0.117 4.771 4.640 0.024 0.000 0.214 428 D C -0.294 175.987 176.300 -0.032 0.000 1.063 428 D CA -0.190 53.767 54.000 -0.071 0.000 0.847 428 D CB -0.093 40.673 40.800 -0.055 0.000 0.933 428 D HN 0.347 nan 8.370 nan 0.000 0.513 429 D N -0.165 120.235 120.400 -0.001 0.000 2.329 429 D HA 0.135 4.790 4.640 0.024 0.000 0.232 429 D C -1.734 174.619 176.300 0.088 0.000 1.088 429 D CA -2.203 51.835 54.000 0.064 0.000 0.835 429 D CB 2.084 42.965 40.800 0.134 0.000 1.078 429 D HN -0.047 nan 8.370 nan 0.000 0.495 430 P HA -0.068 nan 4.420 nan 0.000 0.222 430 P C 0.957 178.255 177.300 -0.004 0.000 1.147 430 P CA 0.631 63.738 63.100 0.011 0.000 0.790 430 P CB 0.326 32.022 31.700 -0.006 0.000 0.780 431 R N -1.778 118.725 120.500 0.005 0.000 2.237 431 R HA -0.066 4.289 4.340 0.024 0.000 0.219 431 R C 1.395 177.549 176.300 -0.244 0.000 1.080 431 R CA 1.020 57.053 56.100 -0.110 0.000 0.995 431 R CB -0.504 29.711 30.300 -0.141 0.000 0.875 431 R HN 0.318 nan 8.270 nan 0.000 0.462 432 W N -0.277 120.969 121.300 -0.090 0.000 3.220 432 W HA 0.151 4.825 4.660 0.023 0.000 0.328 432 W C 1.454 177.915 176.519 -0.096 0.000 1.205 432 W CA -0.523 56.768 57.345 -0.089 0.000 1.773 432 W CB 0.092 29.497 29.460 -0.092 0.000 1.086 432 W HN 0.007 nan 8.180 nan 0.000 0.622 433 L N 2.086 123.329 121.223 0.033 0.000 2.046 433 L HA -0.045 4.309 4.340 0.024 0.000 0.208 433 L C -0.722 176.109 176.870 -0.064 0.000 1.077 433 L CA 2.252 57.078 54.840 -0.024 0.000 0.747 433 L CB -1.577 40.459 42.059 -0.038 0.000 0.896 433 L HN -0.235 nan 8.230 nan 0.000 0.432 434 P HA -0.148 nan 4.420 nan 0.000 0.214 434 P C 1.616 178.857 177.300 -0.097 0.000 1.163 434 P CA 2.163 65.198 63.100 -0.109 0.000 0.883 434 P CB -0.221 31.404 31.700 -0.125 0.000 0.788 435 A N -1.060 121.711 122.820 -0.082 0.000 1.902 435 A HA -0.198 4.137 4.320 0.024 0.000 0.217 435 A C 2.236 179.831 177.584 0.018 0.000 1.181 435 A CA 1.982 54.004 52.037 -0.024 0.000 0.623 435 A CB -1.509 17.490 19.000 -0.002 0.000 0.818 435 A HN 0.107 nan 8.150 nan 0.000 0.443 436 M N 0.259 119.881 119.600 0.036 0.000 2.175 436 M HA -0.139 4.356 4.480 0.024 0.000 0.264 436 M C 2.521 178.771 176.300 -0.082 0.000 1.063 436 M CA 1.631 56.932 55.300 0.002 0.000 1.119 436 M CB -0.329 32.254 32.600 -0.030 0.000 1.377 436 M HN 0.672 nan 8.290 nan 0.000 0.415 437 S N 0.416 116.038 115.700 -0.129 0.000 2.370 437 S HA -0.197 4.288 4.470 0.024 0.000 0.226 437 S C 1.605 176.040 174.600 -0.275 0.000 1.033 437 S CA 1.534 59.591 58.200 -0.238 0.000 1.011 437 S CB -0.624 62.407 63.200 -0.281 0.000 0.852 437 S HN 0.530 nan 8.310 nan 0.000 0.457 438 E N 0.960 121.046 120.200 -0.191 0.000 2.204 438 E HA -0.086 4.279 4.350 0.024 0.000 0.195 438 E C 2.392 178.907 176.600 -0.143 0.000 0.990 438 E CA 0.886 57.180 56.400 -0.177 0.000 0.821 438 E CB -0.128 29.506 29.700 -0.110 0.000 0.750 438 E HN 0.573 nan 8.360 nan 0.000 0.477 439 R N -0.069 120.377 120.500 -0.089 0.000 2.148 439 R HA -0.055 4.299 4.340 0.024 0.000 0.223 439 R C 2.179 178.440 176.300 -0.066 0.000 1.088 439 R CA 0.605 56.684 56.100 -0.035 0.000 0.985 439 R CB 0.119 30.439 30.300 0.034 0.000 0.880 439 R HN 0.024 nan 8.270 nan 0.000 0.451 440 V N 0.080 119.909 119.914 -0.142 0.000 2.374 440 V HA -0.168 3.967 4.120 0.024 0.000 0.241 440 V C 2.454 178.364 176.094 -0.307 0.000 1.034 440 V CA 2.079 64.272 62.300 -0.179 0.000 1.037 440 V CB -0.164 31.544 31.823 -0.191 0.000 0.682 440 V HN 0.504 nan 8.190 nan 0.000 0.463 441 T N -0.645 113.603 114.554 -0.510 0.000 2.746 441 T HA -0.254 4.111 4.350 0.024 0.000 0.267 441 T C 1.929 176.462 174.700 -0.278 0.000 1.039 441 T CA 1.479 63.186 62.100 -0.655 0.000 1.142 441 T CB -0.424 67.881 68.868 -0.938 0.000 0.866 441 T HN 0.393 nan 8.240 nan 0.000 0.444 442 R N 0.249 120.616 120.500 -0.222 0.000 2.189 442 R HA 0.223 4.577 4.340 0.024 0.000 0.223 442 R C 2.609 178.829 176.300 -0.133 0.000 1.092 442 R CA 1.280 57.287 56.100 -0.155 0.000 0.989 442 R CB -0.423 29.796 30.300 -0.136 0.000 0.876 442 R HN 0.510 nan 8.270 nan 0.000 0.457 443 M N 0.370 119.896 119.600 -0.123 0.000 2.156 443 M HA -0.102 4.393 4.480 0.024 0.000 0.264 443 M C 1.768 177.994 176.300 -0.122 0.000 1.067 443 M CA 1.532 56.791 55.300 -0.070 0.000 1.131 443 M CB 0.187 32.784 32.600 -0.004 0.000 1.368 443 M HN -0.034 nan 8.290 nan 0.000 0.416 444 V N 1.170 120.908 119.914 -0.294 0.000 2.343 444 V HA -0.273 3.861 4.120 0.024 0.000 0.247 444 V C 2.259 178.252 176.094 -0.170 0.000 1.051 444 V CA 1.910 63.922 62.300 -0.480 0.000 1.036 444 V CB -0.912 30.583 31.823 -0.546 0.000 0.654 444 V HN 0.589 nan 8.190 nan 0.000 0.451 445 Q N -0.650 119.081 119.800 -0.116 0.000 2.226 445 Q HA -0.213 4.141 4.340 0.024 0.000 0.204 445 Q C 2.444 178.358 176.000 -0.144 0.000 0.975 445 Q CA 1.404 57.144 55.803 -0.105 0.000 0.866 445 Q CB -0.150 28.544 28.738 -0.073 0.000 0.915 445 Q HN 0.538 nan 8.270 nan 0.000 0.440 446 R N 0.278 120.688 120.500 -0.150 0.000 2.080 446 R HA -0.077 4.277 4.340 0.024 0.000 0.222 446 R C 0.557 176.783 176.300 -0.124 0.000 1.107 446 R CA 1.196 57.183 56.100 -0.188 0.000 0.980 446 R CB 0.448 30.636 30.300 -0.188 0.000 0.879 446 R HN 0.135 nan 8.270 nan 0.000 0.439 447 D N -0.153 120.235 120.400 -0.020 0.000 2.369 447 D HA -0.007 4.647 4.640 0.024 0.000 0.211 447 D C 1.360 177.767 176.300 0.177 0.000 1.077 447 D CA 0.121 54.160 54.000 0.066 0.000 0.842 447 D CB 0.244 41.046 40.800 0.002 0.000 0.947 447 D HN 0.350 nan 8.370 nan 0.000 0.509 448 R N 0.682 121.300 120.500 0.197 0.000 2.241 448 R HA -0.013 4.341 4.340 0.024 0.000 0.224 448 R C 0.689 176.996 176.300 0.011 0.000 1.101 448 R CA 0.905 57.137 56.100 0.219 0.000 0.995 448 R CB -0.301 30.064 30.300 0.109 0.000 0.870 448 R HN -0.068 nan 8.270 nan 0.000 0.463 449 N N 0.319 118.952 118.700 -0.112 0.000 2.336 449 N HA 0.003 4.758 4.740 0.024 0.000 0.189 449 N C -0.541 174.830 175.510 -0.232 0.000 1.113 449 N CA 0.240 53.189 53.050 -0.168 0.000 0.858 449 N CB 0.106 38.475 38.487 -0.196 0.000 0.970 449 N HN 0.287 nan 8.380 nan 0.000 0.471 450 H N 1.360 120.374 119.070 -0.093 0.000 2.668 450 H HA 0.117 4.688 4.556 0.024 0.000 0.303 450 H C -1.194 173.988 175.328 -0.243 0.000 1.074 450 H CA -1.338 54.638 56.048 -0.121 0.000 1.406 450 H CB 1.631 31.360 29.762 -0.056 0.000 1.442 450 H HN 0.044 nan 8.280 nan 0.000 0.482 451 P HA -0.148 nan 4.420 nan 0.000 0.220 451 P C 1.380 178.199 177.300 -0.802 0.000 1.148 451 P CA 1.053 63.797 63.100 -0.592 0.000 0.803 451 P CB 0.292 31.402 31.700 -0.983 0.000 0.782 452 S N -0.836 114.501 115.700 -0.605 0.000 2.442 452 S HA -0.038 4.447 4.470 0.024 0.000 0.236 452 S C 1.111 175.680 174.600 -0.051 0.000 1.007 452 S CA 0.312 58.328 58.200 -0.307 0.000 0.965 452 S CB -1.446 61.735 63.200 -0.031 0.000 0.773 452 S HN -0.059 nan 8.310 nan 0.000 0.504 453 V N 3.607 123.466 119.914 -0.092 0.000 2.439 453 V HA 0.236 4.371 4.120 0.024 0.000 0.271 453 V C 1.106 177.070 176.094 -0.218 0.000 1.040 453 V CA -0.045 62.169 62.300 -0.142 0.000 1.002 453 V CB 0.423 32.072 31.823 -0.290 0.000 1.000 453 V HN 0.631 nan 8.190 nan 0.000 0.477 454 I N 2.772 123.272 120.570 -0.117 0.000 4.187 454 I HA 0.507 4.692 4.170 0.024 0.000 0.326 454 I C 0.393 176.405 176.117 -0.175 0.000 1.302 454 I CA 0.538 61.777 61.300 -0.102 0.000 1.196 454 I CB 0.497 38.521 38.000 0.039 0.000 1.095 454 I HN 0.323 nan 8.210 nan 0.000 0.411 455 I N -0.008 120.438 120.570 -0.206 0.000 2.722 455 I HA 0.369 4.554 4.170 0.024 0.000 0.295 455 I C -1.573 174.445 176.117 -0.165 0.000 1.161 455 I CA -0.426 60.788 61.300 -0.143 0.000 1.032 455 I CB 2.237 40.247 38.000 0.017 0.000 1.244 455 I HN 0.016 nan 8.210 nan 0.000 0.421 456 W N 3.535 124.890 121.300 0.091 0.000 2.512 456 W HA 0.641 5.314 4.660 0.021 0.000 0.335 456 W C 0.296 176.886 176.519 0.118 0.000 1.088 456 W CA -0.626 56.779 57.345 0.100 0.000 1.236 456 W CB 1.754 31.269 29.460 0.092 0.000 1.307 456 W HN 0.300 nan 8.180 nan 0.000 0.567 457 S N 2.545 118.486 115.700 0.402 0.000 2.521 457 S HA 0.397 4.882 4.470 0.024 0.000 0.295 457 S C 0.133 174.906 174.600 0.289 0.000 1.098 457 S CA -0.705 57.678 58.200 0.305 0.000 0.999 457 S CB 0.821 64.156 63.200 0.225 0.000 1.034 457 S HN 0.574 nan 8.310 nan 0.000 0.483 458 L N 4.196 125.583 121.223 0.274 0.000 2.650 458 L HA 0.341 4.696 4.340 0.024 0.000 0.235 458 L C 1.436 178.374 176.870 0.115 0.000 1.149 458 L CA 0.534 55.451 54.840 0.128 0.000 0.887 458 L CB -1.233 40.792 42.059 -0.057 0.000 1.021 458 L HN 1.019 nan 8.230 nan 0.000 0.441 459 G N 0.027 108.980 108.800 0.255 0.000 2.297 459 G HA2 -0.152 3.822 3.960 0.024 0.000 0.209 459 G HA3 -0.152 3.822 3.960 0.024 0.000 0.209 459 G C -1.510 173.599 174.900 0.349 0.000 1.267 459 G CA -0.509 44.752 45.100 0.268 0.000 1.127 459 G HN 0.196 nan 8.290 nan 0.000 0.498 460 N N 0.307 119.157 118.700 0.251 0.000 2.367 460 N HA 0.473 5.228 4.740 0.024 0.000 0.278 460 N C -0.521 174.948 175.510 -0.070 0.000 1.117 460 N CA 0.151 53.197 53.050 -0.007 0.000 0.867 460 N CB 1.575 39.790 38.487 -0.453 0.000 1.649 460 N HN 0.895 nan 8.380 nan 0.000 0.479 461 E N 0.721 120.779 120.200 -0.236 0.000 2.160 461 E HA -0.178 4.187 4.350 0.024 0.000 0.180 461 E C -0.829 175.676 176.600 -0.159 0.000 1.452 461 E CA 0.780 56.950 56.400 -0.383 0.000 0.683 461 E CB -1.304 27.897 29.700 -0.833 0.000 1.072 461 E HN 0.432 nan 8.360 nan 0.000 0.332 462 S N 0.114 115.871 115.700 0.096 0.000 2.941 462 S HA 0.408 4.893 4.470 0.024 0.000 0.251 462 S C 0.647 175.415 174.600 0.279 0.000 1.029 462 S CA -0.175 58.150 58.200 0.208 0.000 1.062 462 S CB 1.386 64.778 63.200 0.320 0.000 0.977 462 S HN 0.858 nan 8.310 nan 0.000 0.552 463 G N 2.016 110.905 108.800 0.149 0.000 2.641 463 G HA2 -0.264 3.710 3.960 0.024 0.000 0.254 463 G HA3 -0.264 3.710 3.960 0.024 0.000 0.254 463 G C -0.528 174.572 174.900 0.332 0.000 1.315 463 G CA -0.130 45.064 45.100 0.157 0.000 0.907 463 G HN 0.644 nan 8.290 nan 0.000 0.572 464 H N 0.510 119.700 119.070 0.201 0.000 2.727 464 H HA 0.588 5.158 4.556 0.024 0.000 0.330 464 H C 0.330 175.827 175.328 0.281 0.000 0.986 464 H CA -0.006 56.202 56.048 0.268 0.000 1.251 464 H CB 0.795 30.647 29.762 0.151 0.000 1.493 464 H HN 1.065 nan 8.280 nan 0.000 0.515 465 G N 1.503 110.323 108.800 0.034 0.000 2.600 465 G HA2 0.453 4.428 3.960 0.024 0.000 0.303 465 G HA3 0.453 4.428 3.960 0.024 0.000 0.303 465 G C 0.546 175.277 174.900 -0.281 0.000 1.253 465 G CA -0.161 44.824 45.100 -0.192 0.000 0.974 465 G HN 0.674 nan 8.290 nan 0.000 0.483 466 A N 0.208 122.919 122.820 -0.182 0.000 2.019 466 A HA -0.085 4.249 4.320 0.024 0.000 0.219 466 A C 2.106 179.659 177.584 -0.052 0.000 1.164 466 A CA 1.842 53.823 52.037 -0.095 0.000 0.644 466 A CB -0.429 18.542 19.000 -0.048 0.000 0.805 466 A HN 0.531 nan 8.150 nan 0.000 0.449 467 N N -0.195 118.439 118.700 -0.110 0.000 2.223 467 N HA -0.147 4.607 4.740 0.024 0.000 0.185 467 N C 1.350 176.802 175.510 -0.097 0.000 1.016 467 N CA 1.684 54.662 53.050 -0.119 0.000 0.863 467 N CB -0.681 37.699 38.487 -0.178 0.000 0.983 467 N HN 0.788 nan 8.380 nan 0.000 0.429 468 H N 0.284 119.325 119.070 -0.048 0.000 2.357 468 H HA -0.003 4.567 4.556 0.024 0.000 0.301 468 H C 1.208 176.598 175.328 0.103 0.000 1.082 468 H CA 1.192 57.223 56.048 -0.029 0.000 1.342 468 H CB 0.207 29.949 29.762 -0.033 0.000 1.389 468 H HN 0.200 nan 8.280 nan 0.000 0.511 469 D N 0.278 120.829 120.400 0.251 0.000 2.149 469 D HA -0.076 4.579 4.640 0.024 0.000 0.201 469 D C 2.277 178.723 176.300 0.243 0.000 0.972 469 D CA 1.005 55.158 54.000 0.256 0.000 0.835 469 D CB -0.234 40.689 40.800 0.205 0.000 0.966 469 D HN 0.409 nan 8.370 nan 0.000 0.476 470 A N 0.986 123.900 122.820 0.157 0.000 1.902 470 A HA -0.112 4.222 4.320 0.024 0.000 0.217 470 A C 2.372 180.066 177.584 0.184 0.000 1.181 470 A CA 0.892 53.015 52.037 0.143 0.000 0.623 470 A CB -0.707 18.336 19.000 0.072 0.000 0.818 470 A HN 0.184 nan 8.150 nan 0.000 0.443 471 L N -2.159 119.157 121.223 0.156 0.000 2.156 471 L HA -0.118 4.236 4.340 0.024 0.000 0.208 471 L C 2.537 179.553 176.870 0.244 0.000 1.095 471 L CA 1.331 56.264 54.840 0.156 0.000 0.770 471 L CB -0.629 41.450 42.059 0.035 0.000 0.914 471 L HN 0.613 nan 8.230 nan 0.000 0.439 472 Y N 1.353 121.739 120.300 0.143 0.000 2.128 472 Y HA -0.330 4.229 4.550 0.016 0.000 0.284 472 Y C 2.806 178.790 175.900 0.140 0.000 1.154 472 Y CA 1.830 60.018 58.100 0.146 0.000 1.149 472 Y CB -0.107 38.440 38.460 0.145 0.000 0.976 472 Y HN -0.028 nan 8.280 nan 0.000 0.505 473 R N -0.252 120.371 120.500 0.205 0.000 2.115 473 R HA -0.164 4.191 4.340 0.024 0.000 0.226 473 R C 1.994 178.305 176.300 0.018 0.000 1.100 473 R CA 1.673 57.805 56.100 0.052 0.000 0.980 473 R CB -1.329 29.078 30.300 0.180 0.000 0.875 473 R HN 0.636 nan 8.270 nan 0.000 0.445 474 W N 0.536 121.801 121.300 -0.059 0.000 2.335 474 W HA -0.149 4.527 4.660 0.026 0.000 0.311 474 W C 1.516 177.949 176.519 -0.144 0.000 1.213 474 W CA 1.972 59.267 57.345 -0.083 0.000 1.274 474 W CB -0.247 29.166 29.460 -0.078 0.000 1.148 474 W HN 0.076 nan 8.180 nan 0.000 0.498 475 I N 0.837 121.421 120.570 0.023 0.000 2.226 475 I HA -0.336 3.849 4.170 0.024 0.000 0.245 475 I C 2.449 178.372 176.117 -0.323 0.000 1.100 475 I CA 1.318 62.473 61.300 -0.241 0.000 1.374 475 I CB -0.711 37.212 38.000 -0.128 0.000 1.057 475 I HN -0.113 nan 8.210 nan 0.000 0.413 476 K N 0.369 120.583 120.400 -0.309 0.000 2.103 476 K HA -0.180 4.155 4.320 0.024 0.000 0.207 476 K C 2.289 178.748 176.600 -0.234 0.000 1.048 476 K CA 1.665 57.787 56.287 -0.275 0.000 0.930 476 K CB -0.533 31.754 32.500 -0.355 0.000 0.716 476 K HN 0.294 nan 8.250 nan 0.000 0.444 477 S N 1.024 116.553 115.700 -0.285 0.000 2.377 477 S HA -0.084 4.400 4.470 0.024 0.000 0.223 477 S C 2.055 176.440 174.600 -0.359 0.000 1.030 477 S CA 1.180 59.216 58.200 -0.273 0.000 0.970 477 S CB -0.142 62.914 63.200 -0.241 0.000 0.830 477 S HN 0.162 nan 8.310 nan 0.000 0.473 478 V N -0.787 118.770 119.914 -0.595 0.000 2.951 478 V HA 0.282 4.417 4.120 0.024 0.000 0.255 478 V C 0.306 176.176 176.094 -0.373 0.000 1.088 478 V CA 1.298 63.249 62.300 -0.583 0.000 1.109 478 V CB -0.465 30.781 31.823 -0.962 0.000 0.724 478 V HN 0.479 nan 8.190 nan 0.000 0.471 479 D N 0.231 120.463 120.400 -0.281 0.000 2.364 479 D HA 0.396 5.051 4.640 0.024 0.000 0.251 479 D C -2.411 173.880 176.300 -0.015 0.000 1.282 479 D CA -1.732 52.211 54.000 -0.096 0.000 0.927 479 D CB 1.753 42.575 40.800 0.036 0.000 1.267 479 D HN 0.126 nan 8.370 nan 0.000 0.531 480 P HA -0.008 nan 4.420 nan 0.000 0.242 480 P C 1.135 178.456 177.300 0.034 0.000 1.197 480 P CA 0.443 63.538 63.100 -0.008 0.000 0.765 480 P CB 0.184 31.873 31.700 -0.017 0.000 0.936 481 S N -1.376 114.353 115.700 0.049 0.000 2.522 481 S HA 0.065 4.550 4.470 0.024 0.000 0.227 481 S C 0.846 175.474 174.600 0.045 0.000 0.986 481 S CA -0.000 58.232 58.200 0.054 0.000 0.929 481 S CB -0.355 62.872 63.200 0.045 0.000 0.769 481 S HN 0.053 nan 8.310 nan 0.000 0.529 482 R N 1.069 121.608 120.500 0.065 0.000 2.621 482 R HA 0.547 4.901 4.340 0.024 0.000 0.284 482 R C -3.205 173.144 176.300 0.082 0.000 0.998 482 R CA -2.212 53.892 56.100 0.007 0.000 0.895 482 R CB 1.560 31.737 30.300 -0.205 0.000 1.195 482 R HN 0.139 nan 8.270 nan 0.000 0.450 483 P HA 0.071 nan 4.420 nan 0.000 0.271 483 P C -0.809 176.599 177.300 0.179 0.000 1.233 483 P CA -0.376 62.789 63.100 0.107 0.000 0.789 483 P CB 0.651 32.401 31.700 0.084 0.000 0.951 484 V N 2.168 122.215 119.914 0.221 0.000 2.459 484 V HA 0.399 4.533 4.120 0.024 0.000 0.295 484 V C 0.229 176.513 176.094 0.317 0.000 1.029 484 V CA -0.235 62.245 62.300 0.301 0.000 0.874 484 V CB 1.125 33.094 31.823 0.243 0.000 0.985 484 V HN 0.614 nan 8.190 nan 0.000 0.438 485 Q N 3.904 123.873 119.800 0.283 0.000 2.458 485 Q HA 0.814 5.168 4.340 0.024 0.000 0.282 485 Q C -1.819 174.354 176.000 0.289 0.000 1.106 485 Q CA -0.951 54.988 55.803 0.227 0.000 0.814 485 Q CB 2.996 31.813 28.738 0.133 0.000 1.425 485 Q HN 0.630 nan 8.270 nan 0.000 0.437 486 Y N -0.056 120.265 120.300 0.034 0.000 2.357 486 Y HA 0.139 4.702 4.550 0.022 0.000 0.319 486 Y C -0.577 175.274 175.900 -0.082 0.000 1.225 486 Y CA -0.688 57.399 58.100 -0.023 0.000 1.095 486 Y CB 1.981 40.419 38.460 -0.036 0.000 1.302 486 Y HN 0.948 nan 8.280 nan 0.000 0.429 487 E N 3.377 123.093 120.200 -0.807 0.000 2.318 487 E HA 0.134 4.498 4.350 0.024 0.000 0.193 487 E C 0.639 176.794 176.600 -0.742 0.000 0.998 487 E CA 0.744 56.779 56.400 -0.610 0.000 0.859 487 E CB 0.259 29.724 29.700 -0.393 0.000 0.812 487 E HN 0.880 nan 8.360 nan 0.000 0.492 488 G N -0.306 107.659 108.800 -1.392 0.000 2.554 488 G HA2 0.273 4.247 3.960 0.024 0.000 0.238 488 G HA3 0.273 4.247 3.960 0.024 0.000 0.238 488 G C 0.769 175.535 174.900 -0.224 0.000 1.259 488 G CA 0.243 44.957 45.100 -0.643 0.000 0.843 488 G HN 0.321 nan 8.290 nan 0.000 0.582 489 G N -0.656 108.110 108.800 -0.057 0.000 2.143 489 G HA2 0.236 4.211 3.960 0.024 0.000 0.248 489 G HA3 0.236 4.211 3.960 0.024 0.000 0.248 489 G C 1.230 176.143 174.900 0.022 0.000 0.991 489 G CA 0.963 46.093 45.100 0.051 0.000 0.689 489 G HN 2.601 nan 8.290 nan 0.000 0.522 490 G N -1.458 107.348 108.800 0.009 0.000 2.205 490 G HA2 0.437 4.412 3.960 0.024 0.000 0.180 490 G HA3 0.437 4.412 3.960 0.024 0.000 0.180 490 G C 1.070 176.105 174.900 0.225 0.000 1.004 490 G CA 1.318 46.488 45.100 0.117 0.000 0.670 490 G HN 2.339 nan 8.290 nan 0.000 0.496 491 A N -0.188 122.645 122.820 0.022 0.000 3.413 491 A HA -0.129 4.206 4.320 0.024 0.000 0.268 491 A C 1.102 178.636 177.584 -0.083 0.000 1.128 491 A CA 2.641 54.631 52.037 -0.078 0.000 1.062 491 A CB -1.772 17.154 19.000 -0.122 0.000 1.121 491 A HN 2.123 nan 8.150 nan 0.000 0.895 492 D N -0.844 119.589 120.400 0.054 0.000 2.760 492 D HA 0.310 4.965 4.640 0.024 0.000 0.314 492 D C 0.395 176.696 176.300 0.001 0.000 1.464 492 D CA 0.838 54.870 54.000 0.054 0.000 0.797 492 D CB -1.120 39.857 40.800 0.294 0.000 1.149 492 D HN 0.813 nan 8.370 nan 0.000 0.455 493 T N -2.467 112.021 114.554 -0.110 0.000 2.729 493 T HA 0.208 4.573 4.350 0.024 0.000 0.298 493 T C 1.596 176.156 174.700 -0.233 0.000 1.013 493 T CA 0.475 62.433 62.100 -0.237 0.000 0.957 493 T CB 0.756 69.263 68.868 -0.601 0.000 1.130 493 T HN 0.076 nan 8.240 nan 0.000 0.526 494 T N -2.686 111.709 114.554 -0.266 0.000 3.163 494 T HA 0.236 4.601 4.350 0.024 0.000 0.260 494 T C 1.520 175.958 174.700 -0.437 0.000 1.156 494 T CA 0.255 62.216 62.100 -0.232 0.000 1.072 494 T CB -0.513 68.299 68.868 -0.093 0.000 0.937 494 T HN 0.821 nan 8.240 nan 0.000 0.528 495 A N 0.401 122.987 122.820 -0.391 0.000 2.423 495 A HA 0.505 4.840 4.320 0.024 0.000 0.246 495 A C 0.850 178.275 177.584 -0.264 0.000 1.278 495 A CA -0.258 51.540 52.037 -0.398 0.000 0.903 495 A CB 0.073 19.102 19.000 0.048 0.000 0.997 495 A HN 0.439 nan 8.150 nan 0.000 0.510 496 T N -1.455 112.949 114.554 -0.250 0.000 2.916 496 T HA 0.376 4.741 4.350 0.024 0.000 0.298 496 T C -0.626 174.098 174.700 0.040 0.000 1.031 496 T CA -0.446 61.658 62.100 0.007 0.000 0.993 496 T CB 1.286 70.156 68.868 0.004 0.000 1.045 496 T HN 0.076 nan 8.240 nan 0.000 0.454 497 D N 2.789 123.295 120.400 0.177 0.000 2.348 497 D HA 0.271 4.925 4.640 0.024 0.000 0.211 497 D C 0.327 176.663 176.300 0.061 0.000 0.998 497 D CA 0.674 54.763 54.000 0.147 0.000 0.873 497 D CB 0.424 41.343 40.800 0.197 0.000 0.925 497 D HN 0.533 nan 8.370 nan 0.000 0.524 498 I N 1.046 121.635 120.570 0.032 0.000 2.498 498 I HA 0.255 4.439 4.170 0.024 0.000 0.290 498 I C -0.190 175.869 176.117 -0.096 0.000 1.032 498 I CA -0.884 60.401 61.300 -0.026 0.000 1.073 498 I CB 2.804 40.802 38.000 -0.002 0.000 1.251 498 I HN -0.355 nan 8.210 nan 0.000 0.426 499 I N 5.752 126.219 120.570 -0.173 0.000 2.505 499 I HA 0.054 4.239 4.170 0.024 0.000 0.287 499 I C 0.209 176.126 176.117 -0.333 0.000 1.104 499 I CA 0.004 61.106 61.300 -0.331 0.000 1.387 499 I CB 0.197 37.893 38.000 -0.508 0.000 1.404 499 I HN 0.679 nan 8.210 nan 0.000 0.528 500 C N 5.761 124.879 119.300 -0.303 0.000 3.414 500 C HA 0.481 4.956 4.460 0.024 0.000 0.208 500 C C -2.189 172.671 174.990 -0.216 0.000 1.422 500 C CA -2.267 56.624 59.018 -0.210 0.000 1.437 500 C CB -0.746 26.932 27.740 -0.104 0.000 1.850 500 C HN 0.418 nan 8.230 nan 0.000 0.481 501 P HA 0.310 nan 4.420 nan 0.000 0.273 501 P C -0.414 176.841 177.300 -0.075 0.000 1.250 501 P CA 0.268 63.274 63.100 -0.157 0.000 0.793 501 P CB 0.737 32.369 31.700 -0.113 0.000 1.011 502 M N -0.036 119.540 119.600 -0.040 0.000 2.181 502 M HA 0.439 4.934 4.480 0.024 0.000 0.323 502 M C -0.859 175.428 176.300 -0.021 0.000 1.004 502 M CA -0.698 54.475 55.300 -0.211 0.000 0.941 502 M CB 1.154 33.594 32.600 -0.267 0.000 1.579 502 M HN 0.280 nan 8.290 nan 0.000 0.427 503 Y N -0.323 120.152 120.300 0.291 0.000 4.490 503 Y HA -0.208 4.357 4.550 0.025 0.000 0.233 503 Y C 0.455 176.534 175.900 0.299 0.000 1.101 503 Y CA 0.489 58.767 58.100 0.298 0.000 2.010 503 Y CB -2.481 36.132 38.460 0.256 0.000 1.622 503 Y HN 0.967 nan 8.280 nan 0.000 0.675 504 A N 1.131 124.175 122.820 0.374 0.000 2.440 504 A HA 0.573 4.908 4.320 0.024 0.000 0.251 504 A C 0.806 178.611 177.584 0.369 0.000 1.089 504 A CA -0.485 51.772 52.037 0.368 0.000 0.779 504 A CB 0.389 19.640 19.000 0.419 0.000 1.022 504 A HN 0.405 nan 8.150 nan 0.000 0.492 505 R N 1.485 122.129 120.500 0.240 0.000 2.583 505 R HA 0.315 4.670 4.340 0.024 0.000 0.268 505 R C 0.988 177.246 176.300 -0.070 0.000 1.101 505 R CA -0.688 55.477 56.100 0.110 0.000 1.180 505 R CB 0.522 30.858 30.300 0.060 0.000 1.128 505 R HN 0.492 nan 8.270 nan 0.000 0.568 506 V N 0.570 120.280 119.914 -0.339 0.000 2.283 506 V HA -0.180 3.955 4.120 0.024 0.000 0.243 506 V C 0.988 176.959 176.094 -0.206 0.000 1.039 506 V CA 1.837 63.901 62.300 -0.393 0.000 1.016 506 V CB -0.246 31.227 31.823 -0.583 0.000 0.650 506 V HN 0.730 nan 8.190 nan 0.000 0.449 507 D N -1.433 118.879 120.400 -0.147 0.000 2.454 507 D HA 0.107 4.761 4.640 0.024 0.000 0.219 507 D C 0.886 177.167 176.300 -0.032 0.000 1.081 507 D CA 0.083 54.035 54.000 -0.081 0.000 0.867 507 D CB 0.785 41.543 40.800 -0.071 0.000 1.054 507 D HN 0.468 nan 8.370 nan 0.000 0.500 508 E N 1.745 121.929 120.200 -0.026 0.000 2.197 508 E HA 0.125 4.490 4.350 0.024 0.000 0.281 508 E C -0.888 175.710 176.600 -0.003 0.000 0.995 508 E CA -0.589 55.805 56.400 -0.010 0.000 0.808 508 E CB 1.099 30.793 29.700 -0.011 0.000 1.093 508 E HN -0.189 nan 8.360 nan 0.000 0.394 509 D N 3.459 123.858 120.400 -0.002 0.000 2.304 509 D HA 0.144 4.798 4.640 0.024 0.000 0.247 509 D C -0.634 175.554 176.300 -0.187 0.000 1.089 509 D CA 0.107 54.095 54.000 -0.020 0.000 0.910 509 D CB 1.242 42.099 40.800 0.094 0.000 1.199 509 D HN 0.393 nan 8.370 nan 0.000 0.426 510 Q N 1.573 121.138 119.800 -0.393 0.000 2.674 510 Q HA 0.239 4.593 4.340 0.024 0.000 0.249 510 Q C -2.181 173.191 176.000 -1.047 0.000 1.011 510 Q CA -1.509 53.861 55.803 -0.722 0.000 0.734 510 Q CB 2.312 30.582 28.738 -0.781 0.000 1.201 510 Q HN 0.179 nan 8.270 nan 0.000 0.498 511 P HA -0.028 nan 4.420 nan 0.000 0.238 511 P C -0.678 176.296 177.300 -0.543 0.000 1.714 511 P CA -0.079 62.588 63.100 -0.723 0.000 0.908 511 P CB -0.482 31.012 31.700 -0.343 0.000 1.893 512 F N 1.478 121.243 119.950 -0.310 0.000 2.589 512 F HA 0.145 4.686 4.527 0.023 0.000 0.352 512 F C -1.301 174.389 175.800 -0.183 0.000 1.168 512 F CA -2.115 55.767 58.000 -0.197 0.000 1.353 512 F CB -1.257 37.646 39.000 -0.161 0.000 1.116 512 F HN 0.062 nan 8.300 nan 0.000 0.608 513 P HA 0.238 nan 4.420 nan 0.000 0.271 513 P C 0.285 177.600 177.300 0.025 0.000 1.216 513 P CA 1.084 64.201 63.100 0.028 0.000 0.776 513 P CB 1.128 32.844 31.700 0.026 0.000 0.881 514 A N 2.679 125.507 122.820 0.013 0.000 3.292 514 A HA -0.246 4.089 4.320 0.024 0.000 0.241 514 A C 0.760 178.353 177.584 0.015 0.000 0.569 514 A CA 2.161 54.211 52.037 0.021 0.000 1.149 514 A CB -2.666 16.347 19.000 0.021 0.000 1.321 514 A HN 0.651 nan 8.150 nan 0.000 0.679 515 V N -3.161 116.756 119.914 0.004 0.000 2.562 515 V HA 0.513 4.648 4.120 0.024 0.000 0.274 515 V C -2.210 173.870 176.094 -0.025 0.000 1.075 515 V CA -1.209 61.093 62.300 0.003 0.000 1.204 515 V CB 0.465 32.293 31.823 0.008 0.000 1.478 515 V HN 0.492 nan 8.190 nan 0.000 0.622 516 P HA 0.172 nan 4.420 nan 0.000 0.268 516 P C -0.539 176.355 177.300 -0.678 0.000 1.208 516 P CA 0.258 62.996 63.100 -0.603 0.000 0.777 516 P CB 1.002 31.859 31.700 -1.405 0.000 0.875 517 K N 2.390 122.461 120.400 -0.549 0.000 2.357 517 K HA 0.190 4.525 4.320 0.024 0.000 0.251 517 K C -0.332 175.985 176.600 -0.472 0.000 1.069 517 K CA -0.268 55.868 56.287 -0.252 0.000 0.994 517 K CB 0.249 32.860 32.500 0.185 0.000 1.411 517 K HN 0.465 nan 8.250 nan 0.000 0.450 518 W N 1.263 122.267 121.300 -0.494 0.000 2.126 518 W HA 0.049 4.724 4.660 0.024 0.000 0.346 518 W C 1.327 177.864 176.519 0.031 0.000 1.279 518 W CA -0.455 56.695 57.345 -0.326 0.000 1.259 518 W CB 0.394 29.489 29.460 -0.608 0.000 1.133 518 W HN 0.353 nan 8.180 nan 0.000 0.592 519 S N 2.889 118.749 115.700 0.267 0.000 2.558 519 S HA -0.087 4.398 4.470 0.024 0.000 0.291 519 S C 1.215 175.972 174.600 0.262 0.000 1.306 519 S CA -0.109 58.194 58.200 0.171 0.000 1.056 519 S CB 0.155 63.410 63.200 0.091 0.000 0.836 519 S HN 0.504 nan 8.310 nan 0.000 0.504 520 I N 2.205 122.885 120.570 0.184 0.000 2.361 520 I HA -0.125 4.059 4.170 0.024 0.000 0.251 520 I C 2.062 178.204 176.117 0.040 0.000 1.133 520 I CA 1.223 62.627 61.300 0.173 0.000 1.413 520 I CB -0.422 37.617 38.000 0.066 0.000 1.073 520 I HN 0.588 nan 8.210 nan 0.000 0.424 521 K N 1.584 121.906 120.400 -0.129 0.000 2.057 521 K HA -0.171 4.163 4.320 0.024 0.000 0.207 521 K C 2.314 178.909 176.600 -0.007 0.000 1.049 521 K CA 1.827 57.948 56.287 -0.277 0.000 0.931 521 K CB -0.189 32.069 32.500 -0.403 0.000 0.714 521 K HN 0.380 nan 8.250 nan 0.000 0.440 522 K N -0.009 120.412 120.400 0.035 0.000 2.103 522 K HA -0.166 4.169 4.320 0.024 0.000 0.204 522 K C 1.917 178.555 176.600 0.063 0.000 1.052 522 K CA 0.831 57.133 56.287 0.025 0.000 0.945 522 K CB -0.091 32.393 32.500 -0.027 0.000 0.722 522 K HN 0.203 nan 8.250 nan 0.000 0.443 523 W N 2.185 123.475 121.300 -0.016 0.000 2.338 523 W HA -0.192 4.481 4.660 0.022 0.000 0.304 523 W C 1.577 178.078 176.519 -0.030 0.000 1.212 523 W CA 1.177 58.520 57.345 -0.004 0.000 1.264 523 W CB -0.675 28.866 29.460 0.135 0.000 1.142 523 W HN 0.092 nan 8.180 nan 0.000 0.512 524 L N 0.862 122.241 121.223 0.259 0.000 2.129 524 L HA -0.254 4.101 4.340 0.024 0.000 0.212 524 L C 2.198 179.136 176.870 0.112 0.000 1.087 524 L CA 2.004 56.931 54.840 0.145 0.000 0.757 524 L CB -0.930 41.203 42.059 0.123 0.000 0.896 524 L HN 0.008 nan 8.230 nan 0.000 0.434 525 S N -1.620 114.131 115.700 0.085 0.000 2.568 525 S HA 0.279 4.764 4.470 0.024 0.000 0.232 525 S C 0.512 175.100 174.600 -0.021 0.000 0.975 525 S CA -0.568 57.652 58.200 0.034 0.000 0.949 525 S CB -0.354 62.865 63.200 0.032 0.000 0.829 525 S HN 0.140 nan 8.310 nan 0.000 0.479 526 L N 1.961 123.163 121.223 -0.035 0.000 2.499 526 L HA 0.232 4.586 4.340 0.024 0.000 0.281 526 L C -2.175 174.657 176.870 -0.064 0.000 1.234 526 L CA -1.752 53.013 54.840 -0.125 0.000 0.839 526 L CB -0.312 41.640 42.059 -0.178 0.000 1.104 526 L HN 0.036 nan 8.230 nan 0.000 0.500 527 P HA -0.038 nan 4.420 nan 0.000 0.260 527 P C 0.733 178.022 177.300 -0.019 0.000 1.172 527 P CA 1.078 64.150 63.100 -0.048 0.000 0.760 527 P CB 0.448 32.114 31.700 -0.057 0.000 0.773 528 G N 1.755 110.551 108.800 -0.006 0.000 2.212 528 G HA2 -0.290 3.684 3.960 0.024 0.000 0.266 528 G HA3 -0.290 3.684 3.960 0.024 0.000 0.266 528 G C 0.285 175.198 174.900 0.021 0.000 0.978 528 G CA 0.222 45.327 45.100 0.008 0.000 0.632 528 G HN 0.621 nan 8.290 nan 0.000 0.537 529 E N 0.987 121.205 120.200 0.030 0.000 2.338 529 E HA 0.586 4.950 4.350 0.024 0.000 0.272 529 E C 1.360 177.983 176.600 0.038 0.000 1.029 529 E CA 0.670 57.100 56.400 0.051 0.000 0.872 529 E CB 0.763 30.519 29.700 0.093 0.000 1.015 529 E HN 0.536 nan 8.360 nan 0.000 0.417 530 T N 0.621 115.194 114.554 0.032 0.000 3.130 530 T HA 0.344 4.708 4.350 0.024 0.000 0.288 530 T C 0.578 175.286 174.700 0.014 0.000 0.936 530 T CA -0.467 61.647 62.100 0.023 0.000 0.897 530 T CB 0.109 68.989 68.868 0.020 0.000 1.178 530 T HN 0.236 nan 8.240 nan 0.000 0.543 531 R N 2.199 122.703 120.500 0.008 0.000 2.583 531 R HA 0.495 4.850 4.340 0.024 0.000 0.268 531 R C -2.583 173.699 176.300 -0.030 0.000 1.101 531 R CA -1.989 54.106 56.100 -0.009 0.000 1.180 531 R CB 0.154 30.443 30.300 -0.018 0.000 1.128 531 R HN 0.205 nan 8.270 nan 0.000 0.568 532 P HA 0.097 nan 4.420 nan 0.000 0.277 532 P C -1.125 176.109 177.300 -0.110 0.000 1.240 532 P CA -0.111 62.950 63.100 -0.065 0.000 0.798 532 P CB 0.692 32.354 31.700 -0.064 0.000 0.979 533 L N 2.952 124.090 121.223 -0.142 0.000 2.349 533 L HA 0.588 4.943 4.340 0.024 0.000 0.278 533 L C -1.050 175.687 176.870 -0.222 0.000 0.996 533 L CA -0.699 54.019 54.840 -0.204 0.000 0.825 533 L CB 0.685 42.613 42.059 -0.219 0.000 1.243 533 L HN 0.238 nan 8.230 nan 0.000 0.412 534 I N 5.582 126.031 120.570 -0.202 0.000 2.468 534 I HA 0.265 4.449 4.170 0.024 0.000 0.285 534 I C -0.685 175.356 176.117 -0.126 0.000 1.039 534 I CA -0.567 60.603 61.300 -0.218 0.000 1.074 534 I CB 2.042 39.973 38.000 -0.115 0.000 1.228 534 I HN 0.504 nan 8.210 nan 0.000 0.436 535 L N 5.577 126.697 121.223 -0.171 0.000 2.499 535 L HA -0.002 4.353 4.340 0.024 0.000 0.273 535 L C 1.454 178.420 176.870 0.160 0.000 1.195 535 L CA -0.006 54.807 54.840 -0.044 0.000 0.882 535 L CB 0.668 42.689 42.059 -0.063 0.000 1.133 535 L HN 0.867 nan 8.230 nan 0.000 0.483 536 C N 0.760 120.128 119.300 0.114 0.000 2.468 536 C HA 0.149 4.623 4.460 0.024 0.000 0.277 536 C C 0.660 175.811 174.990 0.268 0.000 1.400 536 C CA -0.234 58.895 59.018 0.185 0.000 1.770 536 C CB -0.913 26.846 27.740 0.032 0.000 1.905 536 C HN 0.803 nan 8.230 nan 0.000 0.519 537 Q N -0.236 119.660 119.800 0.161 0.000 2.295 537 Q HA 0.596 4.951 4.340 0.024 0.000 0.268 537 Q C -1.561 174.441 176.000 0.003 0.000 1.010 537 Q CA -0.319 55.578 55.803 0.156 0.000 0.856 537 Q CB 2.362 31.022 28.738 -0.130 0.000 1.349 537 Q HN 0.689 nan 8.270 nan 0.000 0.412 538 Y N -0.156 120.178 120.300 0.056 0.000 2.624 538 Y HA 0.808 5.374 4.550 0.025 0.000 0.334 538 Y C -0.683 175.378 175.900 0.268 0.000 1.155 538 Y CA -0.722 57.391 58.100 0.020 0.000 1.046 538 Y CB 0.616 38.930 38.460 -0.243 0.000 1.316 538 Y HN 0.975 nan 8.280 nan 0.000 0.457 539 A N 1.322 124.242 122.820 0.168 0.000 2.556 539 A HA 0.110 4.444 4.320 0.024 0.000 0.682 539 A C -1.211 176.626 177.584 0.422 0.000 0.218 539 A CA 0.578 52.732 52.037 0.194 0.000 0.079 539 A CB -1.439 17.607 19.000 0.077 0.000 3.949 539 A HN 1.910 nan 8.150 nan 0.000 0.546 540 H N 0.322 119.523 119.070 0.218 0.000 3.198 540 H HA 0.508 5.079 4.556 0.024 0.000 0.317 540 H C -0.016 175.377 175.328 0.109 0.000 1.178 540 H CA 0.303 56.531 56.048 0.300 0.000 1.609 540 H CB 0.720 30.559 29.762 0.129 0.000 1.819 540 H HN 1.670 nan 8.280 nan 0.000 0.533 541 A N 6.229 128.974 122.820 -0.126 0.000 3.033 541 A HA 0.152 4.486 4.320 0.024 0.000 0.250 541 A C 0.620 178.007 177.584 -0.327 0.000 1.633 541 A CA -0.373 51.534 52.037 -0.216 0.000 1.290 541 A CB -0.731 18.135 19.000 -0.222 0.000 1.048 541 A HN 0.696 nan 8.150 nan 0.000 0.648 542 M N 1.609 121.033 119.600 -0.292 0.000 2.084 542 M HA 0.482 4.976 4.480 0.024 0.000 0.351 542 M C 0.883 176.949 176.300 -0.390 0.000 1.240 542 M CA 1.178 56.286 55.300 -0.319 0.000 1.083 542 M CB 0.083 32.586 32.600 -0.162 0.000 1.593 542 M HN 0.895 nan 8.290 nan 0.000 0.463 543 G N 4.059 112.557 108.800 -0.503 0.000 2.552 543 G HA2 -0.323 3.651 3.960 0.024 0.000 0.265 543 G HA3 -0.323 3.651 3.960 0.024 0.000 0.265 543 G C -0.393 173.914 174.900 -0.987 0.000 1.234 543 G CA -0.075 44.598 45.100 -0.712 0.000 0.944 543 G HN 0.847 nan 8.290 nan 0.000 0.568 544 N N 1.033 119.045 118.700 -1.147 0.000 2.448 544 N HA 0.526 5.281 4.740 0.024 0.000 0.250 544 N C 0.006 175.221 175.510 -0.491 0.000 1.136 544 N CA 0.988 53.526 53.050 -0.854 0.000 0.953 544 N CB 0.658 38.657 38.487 -0.813 0.000 1.251 544 N HN 0.839 nan 8.380 nan 0.000 0.502 545 S N 2.221 117.709 115.700 -0.353 0.000 2.911 545 S HA 0.627 5.112 4.470 0.024 0.000 0.319 545 S C -0.058 174.456 174.600 -0.143 0.000 1.154 545 S CA -0.351 57.711 58.200 -0.229 0.000 0.857 545 S CB 0.203 63.279 63.200 -0.205 0.000 1.279 545 S HN 0.380 nan 8.310 nan 0.000 0.593 546 L N 0.057 121.241 121.223 -0.064 0.000 4.793 546 L HA -0.064 4.291 4.340 0.024 0.000 0.404 546 L C 0.584 177.497 176.870 0.072 0.000 1.022 546 L CA 0.953 55.791 54.840 -0.003 0.000 1.242 546 L CB -1.828 40.148 42.059 -0.139 0.000 2.049 546 L HN 0.740 nan 8.230 nan 0.000 0.637 547 G N -0.676 108.130 108.800 0.011 0.000 2.313 547 G HA2 0.469 4.443 3.960 0.024 0.000 0.250 547 G HA3 0.469 4.443 3.960 0.024 0.000 0.250 547 G C 1.234 176.180 174.900 0.077 0.000 1.281 547 G CA 0.243 45.330 45.100 -0.021 0.000 0.917 547 G HN 1.415 nan 8.290 nan 0.000 0.501 548 G N 1.728 110.575 108.800 0.078 0.000 2.141 548 G HA2 -0.310 3.665 3.960 0.024 0.000 0.242 548 G HA3 -0.310 3.665 3.960 0.024 0.000 0.242 548 G C 0.940 176.038 174.900 0.330 0.000 0.982 548 G CA 0.697 45.904 45.100 0.178 0.000 0.662 548 G HN 0.805 nan 8.290 nan 0.000 0.527 549 F N 1.654 121.736 119.950 0.220 0.000 2.216 549 F HA 0.202 4.744 4.527 0.025 0.000 0.300 549 F C 2.560 178.587 175.800 0.378 0.000 1.085 549 F CA 2.276 60.483 58.000 0.344 0.000 1.326 549 F CB -0.267 38.877 39.000 0.240 0.000 1.027 549 F HN 0.332 nan 8.300 nan 0.000 0.497 550 A N -0.402 122.609 122.820 0.318 0.000 2.067 550 A HA -0.179 4.156 4.320 0.024 0.000 0.219 550 A C 2.259 179.880 177.584 0.062 0.000 1.158 550 A CA 1.444 53.595 52.037 0.191 0.000 0.661 550 A CB -0.724 18.389 19.000 0.188 0.000 0.801 550 A HN 0.428 nan 8.150 nan 0.000 0.452 551 K N -1.520 118.902 120.400 0.037 0.000 2.097 551 K HA -0.169 4.166 4.320 0.024 0.000 0.206 551 K C 1.624 178.012 176.600 -0.353 0.000 1.049 551 K CA 1.504 57.721 56.287 -0.116 0.000 0.933 551 K CB -0.306 32.125 32.500 -0.116 0.000 0.717 551 K HN 0.536 nan 8.250 nan 0.000 0.442 552 Y N -0.703 119.329 120.300 -0.447 0.000 2.145 552 Y HA -0.234 4.330 4.550 0.023 0.000 0.286 552 Y C 1.943 176.844 175.900 -1.666 0.000 1.145 552 Y CA 1.677 59.130 58.100 -1.079 0.000 1.148 552 Y CB -0.389 37.409 38.460 -1.104 0.000 0.981 552 Y HN 0.176 nan 8.280 nan 0.000 0.507 553 W N -0.130 120.727 121.300 -0.738 0.000 2.363 553 W HA -0.195 4.481 4.660 0.026 0.000 0.296 553 W C 2.609 178.953 176.519 -0.293 0.000 1.212 553 W CA 1.473 58.527 57.345 -0.485 0.000 1.260 553 W CB -0.540 28.745 29.460 -0.292 0.000 1.131 553 W HN 0.027 nan 8.180 nan 0.000 0.530 554 Q N 0.757 120.485 119.800 -0.119 0.000 2.167 554 Q HA -0.133 4.221 4.340 0.024 0.000 0.202 554 Q C 2.117 178.056 176.000 -0.101 0.000 0.970 554 Q CA 1.881 57.648 55.803 -0.060 0.000 0.855 554 Q CB -0.429 28.283 28.738 -0.043 0.000 0.911 554 Q HN 0.284 nan 8.270 nan 0.000 0.438 555 A N -0.076 122.586 122.820 -0.263 0.000 1.898 555 A HA -0.080 4.255 4.320 0.024 0.000 0.214 555 A C 1.758 179.298 177.584 -0.074 0.000 1.183 555 A CA 0.842 52.752 52.037 -0.212 0.000 0.622 555 A CB -0.682 18.058 19.000 -0.433 0.000 0.824 555 A HN 0.337 nan 8.150 nan 0.000 0.444 556 F N 0.462 120.231 119.950 -0.301 0.000 2.161 556 F HA -0.104 4.438 4.527 0.025 0.000 0.300 556 F C 2.486 178.187 175.800 -0.166 0.000 1.089 556 F CA 1.118 58.913 58.000 -0.343 0.000 1.282 556 F CB -0.789 37.786 39.000 -0.709 0.000 1.010 556 F HN 0.188 nan 8.300 nan 0.000 0.485 557 R N -0.266 120.289 120.500 0.091 0.000 2.090 557 R HA -0.142 4.213 4.340 0.024 0.000 0.228 557 R C 2.137 178.475 176.300 0.063 0.000 1.110 557 R CA 1.104 57.245 56.100 0.069 0.000 0.973 557 R CB -0.493 29.845 30.300 0.062 0.000 0.869 557 R HN 0.360 nan 8.270 nan 0.000 0.440 558 Q N -0.204 119.660 119.800 0.108 0.000 2.172 558 Q HA -0.081 4.274 4.340 0.024 0.000 0.200 558 Q C -0.444 175.600 176.000 0.074 0.000 0.964 558 Q CA 1.059 56.925 55.803 0.104 0.000 0.855 558 Q CB 0.332 29.182 28.738 0.186 0.000 0.918 558 Q HN 0.188 nan 8.270 nan 0.000 0.444 559 Y N -0.175 120.105 120.300 -0.032 0.000 2.342 559 Y HA 0.268 4.832 4.550 0.023 0.000 0.338 559 Y C -1.797 174.076 175.900 -0.045 0.000 0.965 559 Y CA -2.867 55.214 58.100 -0.033 0.000 1.159 559 Y CB 1.474 39.919 38.460 -0.026 0.000 1.157 559 Y HN 0.096 nan 8.280 nan 0.000 0.486 560 P HA -0.175 nan 4.420 nan 0.000 0.215 560 P C 1.176 178.476 177.300 -0.000 0.000 1.157 560 P CA 1.862 64.961 63.100 -0.002 0.000 0.874 560 P CB 0.316 31.999 31.700 -0.029 0.000 0.790 561 R N -1.255 119.264 120.500 0.031 0.000 2.307 561 R HA 0.089 4.443 4.340 0.024 0.000 0.199 561 R C 0.493 176.774 176.300 -0.032 0.000 1.000 561 R CA 0.119 56.219 56.100 -0.000 0.000 1.023 561 R CB -0.479 29.831 30.300 0.017 0.000 0.908 561 R HN 0.234 nan 8.270 nan 0.000 0.473 562 L N 1.935 123.159 121.223 0.001 0.000 2.312 562 L HA 0.116 4.471 4.340 0.024 0.000 0.287 562 L C 0.484 177.215 176.870 -0.233 0.000 1.091 562 L CA 0.197 54.986 54.840 -0.084 0.000 0.846 562 L CB 1.081 43.162 42.059 0.035 0.000 1.219 562 L HN 0.090 nan 8.230 nan 0.000 0.439 563 Q N 2.918 122.510 119.800 -0.348 0.000 2.211 563 Q HA 0.296 4.651 4.340 0.024 0.000 0.231 563 Q C 0.862 176.448 176.000 -0.690 0.000 0.865 563 Q CA 0.106 55.660 55.803 -0.414 0.000 0.997 563 Q CB 0.925 29.510 28.738 -0.255 0.000 1.101 563 Q HN 0.962 nan 8.270 nan 0.000 0.468 564 G N -0.287 107.689 108.800 -1.373 0.000 2.445 564 G HA2 0.056 4.031 3.960 0.024 0.000 0.212 564 G HA3 0.056 4.031 3.960 0.024 0.000 0.212 564 G C -0.214 173.843 174.900 -1.405 0.000 1.217 564 G CA -0.753 43.139 45.100 -2.014 0.000 1.002 564 G HN 0.625 nan 8.290 nan 0.000 0.574 565 G N -2.254 106.046 108.800 -0.833 0.000 2.349 565 G HA2 0.630 4.605 3.960 0.024 0.000 0.294 565 G HA3 0.630 4.605 3.960 0.024 0.000 0.294 565 G C -1.718 173.152 174.900 -0.049 0.000 1.380 565 G CA -0.251 44.609 45.100 -0.399 0.000 0.811 565 G HN 1.140 nan 8.290 nan 0.000 0.519 566 F N 0.853 121.063 119.950 0.432 0.000 2.375 566 F HA 0.510 5.051 4.527 0.023 0.000 0.361 566 F C 0.894 176.972 175.800 0.463 0.000 1.117 566 F CA -0.735 57.531 58.000 0.444 0.000 1.037 566 F CB 1.848 41.009 39.000 0.268 0.000 1.192 566 F HN 0.237 nan 8.300 nan 0.000 0.452 567 V N 3.408 123.585 119.914 0.438 0.000 2.901 567 V HA -0.169 3.965 4.120 0.024 0.000 0.307 567 V C -0.164 176.066 176.094 0.226 0.000 1.084 567 V CA -0.183 62.170 62.300 0.088 0.000 1.184 567 V CB 0.673 32.613 31.823 0.195 0.000 0.941 567 V HN 0.771 nan 8.190 nan 0.000 0.493 568 W N 6.478 127.841 121.300 0.106 0.000 2.278 568 W HA 0.442 5.116 4.660 0.024 0.000 0.317 568 W C -0.794 175.748 176.519 0.038 0.000 1.030 568 W CA -0.650 56.805 57.345 0.183 0.000 1.334 568 W CB 1.232 30.962 29.460 0.450 0.000 1.215 568 W HN 0.926 nan 8.180 nan 0.000 0.405 569 D N 2.611 122.707 120.400 -0.505 0.000 2.812 569 D HA 0.090 4.745 4.640 0.024 0.000 0.318 569 D C 0.604 176.728 176.300 -0.292 0.000 1.234 569 D CA -0.549 53.055 54.000 -0.660 0.000 0.989 569 D CB 0.192 40.082 40.800 -1.516 0.000 1.442 569 D HN 0.402 nan 8.370 nan 0.000 0.537 570 W N 0.392 121.434 121.300 -0.431 0.000 2.413 570 W HA 0.146 4.821 4.660 0.025 0.000 0.315 570 W C -0.097 176.282 176.519 -0.234 0.000 1.186 570 W CA 1.100 58.254 57.345 -0.318 0.000 1.326 570 W CB 0.355 29.639 29.460 -0.293 0.000 1.153 570 W HN 0.154 nan 8.180 nan 0.000 0.489 571 V N 2.712 122.473 119.914 -0.255 0.000 2.709 571 V HA 0.241 4.376 4.120 0.024 0.000 0.308 571 V C -0.893 175.078 176.094 -0.205 0.000 1.062 571 V CA -0.803 61.303 62.300 -0.324 0.000 0.901 571 V CB 1.477 33.200 31.823 -0.166 0.000 1.003 571 V HN -0.098 nan 8.190 nan 0.000 0.425 572 D N 4.213 124.504 120.400 -0.183 0.000 2.488 572 D HA 0.094 4.749 4.640 0.024 0.000 0.238 572 D C 0.252 176.430 176.300 -0.203 0.000 1.138 572 D CA 0.697 54.614 54.000 -0.137 0.000 0.873 572 D CB 0.875 41.657 40.800 -0.029 0.000 1.183 572 D HN 0.620 nan 8.370 nan 0.000 0.458 573 Q N 1.241 120.835 119.800 -0.343 0.000 3.207 573 Q HA 0.152 4.506 4.340 0.024 0.000 0.335 573 Q C -0.153 175.784 176.000 -0.105 0.000 1.374 573 Q CA -0.362 54.952 55.803 -0.815 0.000 1.023 573 Q CB 0.148 28.557 28.738 -0.549 0.000 1.576 573 Q HN 0.367 nan 8.270 nan 0.000 0.515 574 S N -0.028 115.749 115.700 0.127 0.000 2.617 574 S HA 0.659 5.144 4.470 0.024 0.000 0.283 574 S C -0.161 174.597 174.600 0.262 0.000 1.189 574 S CA -0.795 57.578 58.200 0.288 0.000 1.036 574 S CB 1.476 64.830 63.200 0.255 0.000 1.014 574 S HN 0.346 nan 8.310 nan 0.000 0.522 575 L N 1.701 122.989 121.223 0.108 0.000 2.342 575 L HA 0.523 4.878 4.340 0.024 0.000 0.271 575 L C -0.465 176.302 176.870 -0.171 0.000 1.008 575 L CA -1.207 53.574 54.840 -0.098 0.000 0.818 575 L CB 1.471 43.352 42.059 -0.296 0.000 1.296 575 L HN 0.556 nan 8.230 nan 0.000 0.427 576 I N 2.464 122.875 120.570 -0.265 0.000 2.441 576 I HA 0.244 4.429 4.170 0.024 0.000 0.287 576 I C 0.166 175.881 176.117 -0.671 0.000 1.049 576 I CA 0.032 61.048 61.300 -0.474 0.000 1.381 576 I CB 0.981 38.697 38.000 -0.472 0.000 1.409 576 I HN 0.575 nan 8.210 nan 0.000 0.523 577 K N 5.433 125.173 120.400 -1.100 0.000 2.350 577 K HA 0.572 4.907 4.320 0.024 0.000 0.241 577 K C -1.569 174.250 176.600 -1.302 0.000 0.994 577 K CA -0.694 54.860 56.287 -1.223 0.000 0.839 577 K CB 2.309 33.813 32.500 -1.660 0.000 1.244 577 K HN 0.236 nan 8.250 nan 0.000 0.443 578 Y N 0.807 120.852 120.300 -0.425 0.000 2.376 578 Y HA 0.130 4.695 4.550 0.024 0.000 0.340 578 Y C 0.153 176.131 175.900 0.131 0.000 0.965 578 Y CA -1.123 56.912 58.100 -0.109 0.000 1.078 578 Y CB 1.315 39.728 38.460 -0.079 0.000 1.193 578 Y HN 0.690 nan 8.280 nan 0.000 0.452 579 D N 0.374 121.018 120.400 0.406 0.000 2.440 579 D HA 0.017 4.671 4.640 0.024 0.000 0.269 579 D C 0.951 177.359 176.300 0.181 0.000 1.249 579 D CA -0.268 53.923 54.000 0.318 0.000 1.055 579 D CB 0.443 41.377 40.800 0.223 0.000 1.104 579 D HN 0.751 nan 8.370 nan 0.000 0.561 580 E N -0.352 119.916 120.200 0.114 0.000 2.097 580 E HA -0.299 4.066 4.350 0.024 0.000 0.196 580 E C 0.941 177.577 176.600 0.061 0.000 1.000 580 E CA 1.309 57.750 56.400 0.069 0.000 0.804 580 E CB -0.573 29.151 29.700 0.039 0.000 0.740 580 E HN 0.302 nan 8.360 nan 0.000 0.454 581 N N 0.379 119.121 118.700 0.070 0.000 2.521 581 N HA 0.052 4.807 4.740 0.024 0.000 0.188 581 N C 0.933 176.486 175.510 0.071 0.000 1.146 581 N CA 0.996 54.081 53.050 0.059 0.000 0.893 581 N CB 0.741 39.263 38.487 0.058 0.000 0.975 581 N HN 0.498 nan 8.380 nan 0.000 0.451 582 G N -0.003 108.857 108.800 0.101 0.000 2.162 582 G HA2 -0.280 3.695 3.960 0.024 0.000 0.260 582 G HA3 -0.280 3.695 3.960 0.024 0.000 0.260 582 G C -0.108 174.922 174.900 0.216 0.000 0.976 582 G CA -0.250 44.912 45.100 0.103 0.000 0.655 582 G HN 0.318 nan 8.290 nan 0.000 0.533 583 N N 1.738 120.566 118.700 0.213 0.000 2.518 583 N HA 0.452 5.207 4.740 0.024 0.000 0.283 583 N C -2.506 173.147 175.510 0.238 0.000 1.119 583 N CA -0.998 52.178 53.050 0.211 0.000 0.983 583 N CB 1.702 40.279 38.487 0.151 0.000 1.139 583 N HN 0.202 nan 8.380 nan 0.000 0.465 584 P HA 0.335 nan 4.420 nan 0.000 0.282 584 P C -0.607 176.651 177.300 -0.069 0.000 1.249 584 P CA -0.391 62.583 63.100 -0.210 0.000 0.806 584 P CB 0.827 32.375 31.700 -0.253 0.000 0.984 585 W N -0.658 120.403 121.300 -0.399 0.000 3.167 585 W HA 0.433 5.108 4.660 0.024 0.000 0.324 585 W C -1.542 174.790 176.519 -0.312 0.000 1.230 585 W CA -1.042 56.073 57.345 -0.383 0.000 1.184 585 W CB 0.370 29.366 29.460 -0.773 0.000 1.414 585 W HN 0.112 nan 8.180 nan 0.000 0.551 586 S N 1.560 117.343 115.700 0.139 0.000 2.465 586 S HA 0.619 5.103 4.470 0.024 0.000 0.279 586 S C 0.136 174.917 174.600 0.303 0.000 1.201 586 S CA -0.283 57.991 58.200 0.122 0.000 1.053 586 S CB 0.999 64.329 63.200 0.215 0.000 0.953 586 S HN 0.621 nan 8.310 nan 0.000 0.488 587 A N 2.905 125.767 122.820 0.071 0.000 2.337 587 A HA 0.899 5.234 4.320 0.024 0.000 0.331 587 A C -0.722 177.122 177.584 0.433 0.000 1.137 587 A CA -0.748 51.374 52.037 0.141 0.000 0.807 587 A CB 0.692 19.483 19.000 -0.349 0.000 1.250 587 A HN 0.848 nan 8.150 nan 0.000 0.468 588 Y N -0.783 119.845 120.300 0.547 0.000 3.048 588 Y HA 0.773 5.337 4.550 0.025 0.000 0.305 588 Y C 0.685 176.958 175.900 0.623 0.000 1.538 588 Y CA -1.318 57.106 58.100 0.541 0.000 1.082 588 Y CB -0.084 38.521 38.460 0.241 0.000 1.388 588 Y HN 0.892 nan 8.280 nan 0.000 0.557 589 G N -0.186 109.052 108.800 0.730 0.000 2.265 589 G HA2 0.372 4.346 3.960 0.024 0.000 0.240 589 G HA3 0.372 4.346 3.960 0.024 0.000 0.240 589 G C 0.937 176.160 174.900 0.537 0.000 1.270 589 G CA 0.414 45.851 45.100 0.561 0.000 0.901 589 G HN 1.962 nan 8.290 nan 0.000 0.507 590 G N 2.239 111.316 108.800 0.462 0.000 2.241 590 G HA2 -0.273 3.702 3.960 0.024 0.000 0.244 590 G HA3 -0.273 3.702 3.960 0.024 0.000 0.244 590 G C 0.887 175.971 174.900 0.306 0.000 0.998 590 G CA 0.619 45.925 45.100 0.343 0.000 0.621 590 G HN 0.637 nan 8.290 nan 0.000 0.519 591 D N -0.193 120.400 120.400 0.323 0.000 2.378 591 D HA 0.146 4.800 4.640 0.024 0.000 0.227 591 D C 1.174 177.290 176.300 -0.305 0.000 1.012 591 D CA 0.494 54.507 54.000 0.021 0.000 0.905 591 D CB -0.188 40.569 40.800 -0.070 0.000 0.895 591 D HN 0.478 nan 8.370 nan 0.000 0.532 592 F N -0.889 119.178 119.950 0.195 0.000 2.698 592 F HA 0.312 4.854 4.527 0.024 0.000 0.304 592 F C 1.771 177.654 175.800 0.139 0.000 1.108 592 F CA -0.247 57.829 58.000 0.128 0.000 1.263 592 F CB 0.777 39.851 39.000 0.123 0.000 1.013 592 F HN -0.057 nan 8.300 nan 0.000 0.532 593 G N 0.278 109.223 108.800 0.241 0.000 2.179 593 G HA2 -0.281 3.693 3.960 0.024 0.000 0.260 593 G HA3 -0.281 3.693 3.960 0.024 0.000 0.260 593 G C -0.205 174.827 174.900 0.219 0.000 0.977 593 G CA 0.157 45.374 45.100 0.194 0.000 0.641 593 G HN 0.398 nan 8.290 nan 0.000 0.533 594 D N 0.679 121.256 120.400 0.296 0.000 2.401 594 D HA 0.488 5.142 4.640 0.024 0.000 0.254 594 D C 0.132 176.544 176.300 0.187 0.000 1.192 594 D CA 0.933 55.091 54.000 0.264 0.000 0.885 594 D CB 1.513 42.526 40.800 0.355 0.000 1.147 594 D HN 0.324 nan 8.370 nan 0.000 0.478 595 T N 1.311 115.946 114.554 0.135 0.000 2.982 595 T HA 0.442 4.807 4.350 0.024 0.000 0.321 595 T C -2.727 172.004 174.700 0.052 0.000 1.229 595 T CA -1.198 60.954 62.100 0.086 0.000 1.044 595 T CB 1.276 70.195 68.868 0.085 0.000 1.184 595 T HN 0.240 nan 8.240 nan 0.000 0.477 596 P HA 0.500 nan 4.420 nan 0.000 0.274 596 P C -1.005 176.279 177.300 -0.028 0.000 1.246 596 P CA -0.376 62.718 63.100 -0.010 0.000 0.795 596 P CB 0.412 32.082 31.700 -0.050 0.000 1.006 597 N N -1.952 116.726 118.700 -0.037 0.000 2.732 597 N HA 0.280 5.035 4.740 0.024 0.000 0.259 597 N C -1.095 174.340 175.510 -0.124 0.000 1.402 597 N CA -0.781 52.220 53.050 -0.082 0.000 0.829 597 N CB 0.788 39.323 38.487 0.079 0.000 1.495 597 N HN 0.109 nan 8.380 nan 0.000 0.511 598 D N -0.269 119.990 120.400 -0.236 0.000 2.755 598 D HA 0.131 4.786 4.640 0.024 0.000 0.257 598 D C 0.409 176.892 176.300 0.304 0.000 1.291 598 D CA -0.133 53.809 54.000 -0.097 0.000 0.836 598 D CB 0.243 40.806 40.800 -0.396 0.000 1.059 598 D HN 0.709 nan 8.370 nan 0.000 0.486 599 R N 0.814 121.505 120.500 0.319 0.000 3.587 599 R HA -0.327 4.027 4.340 0.024 0.000 0.556 599 R C 1.108 177.492 176.300 0.139 0.000 0.241 599 R CA 1.580 57.893 56.100 0.355 0.000 1.724 599 R CB -1.574 28.854 30.300 0.213 0.000 0.885 599 R HN 0.155 nan 8.270 nan 0.000 0.613 600 Q N 1.478 121.010 119.800 -0.446 0.000 2.466 600 Q HA -0.002 4.353 4.340 0.024 0.000 0.210 600 Q C 1.468 177.203 176.000 -0.441 0.000 0.961 600 Q CA 1.245 56.578 55.803 -0.783 0.000 0.953 600 Q CB 0.036 28.089 28.738 -1.142 0.000 1.011 600 Q HN 0.614 nan 8.270 nan 0.000 0.516 601 F N 1.308 121.209 119.950 -0.082 0.000 2.722 601 F HA -0.066 4.475 4.527 0.024 0.000 0.298 601 F C 2.080 177.858 175.800 -0.036 0.000 1.175 601 F CA 0.703 58.728 58.000 0.042 0.000 1.462 601 F CB -0.059 39.023 39.000 0.136 0.000 1.111 601 F HN 0.398 nan 8.300 nan 0.000 0.592 602 C N -1.461 117.603 119.300 -0.393 0.000 2.562 602 C HA 0.244 4.719 4.460 0.024 0.000 0.266 602 C C 1.017 175.817 174.990 -0.317 0.000 1.382 602 C CA -0.487 58.095 59.018 -0.727 0.000 1.742 602 C CB -1.594 25.177 27.740 -1.615 0.000 1.812 602 C HN 0.188 nan 8.230 nan 0.000 0.559 603 M N 2.741 122.205 119.600 -0.227 0.000 2.103 603 M HA 0.271 4.766 4.480 0.024 0.000 0.350 603 M C -0.417 175.767 176.300 -0.194 0.000 1.100 603 M CA 0.326 55.523 55.300 -0.172 0.000 1.042 603 M CB -0.042 32.481 32.600 -0.128 0.000 1.368 603 M HN 0.374 nan 8.290 nan 0.000 0.404 604 N N 0.804 119.393 118.700 -0.184 0.000 2.299 604 N HA 0.204 4.959 4.740 0.024 0.000 0.246 604 N C 0.379 175.706 175.510 -0.304 0.000 1.254 604 N CA -0.543 52.350 53.050 -0.260 0.000 0.879 604 N CB 1.177 39.571 38.487 -0.156 0.000 1.214 604 N HN 0.632 nan 8.380 nan 0.000 0.510 605 G N 0.006 108.647 108.800 -0.265 0.000 2.476 605 G HA2 0.348 4.322 3.960 0.024 0.000 0.286 605 G HA3 0.348 4.322 3.960 0.024 0.000 0.286 605 G C 0.749 175.515 174.900 -0.224 0.000 1.177 605 G CA -0.555 44.375 45.100 -0.284 0.000 0.870 605 G HN 0.094 nan 8.290 nan 0.000 0.528 606 L N 0.048 121.080 121.223 -0.320 0.000 2.217 606 L HA 0.073 4.428 4.340 0.024 0.000 0.211 606 L C 1.098 177.767 176.870 -0.334 0.000 1.107 606 L CA 0.564 55.239 54.840 -0.276 0.000 0.783 606 L CB -0.421 41.458 42.059 -0.300 0.000 0.919 606 L HN 0.407 nan 8.230 nan 0.000 0.442 607 V N -4.829 114.710 119.914 -0.626 0.000 2.864 607 V HA 0.459 4.593 4.120 0.024 0.000 0.314 607 V C -0.115 175.614 176.094 -0.608 0.000 1.073 607 V CA -1.293 60.606 62.300 -0.669 0.000 0.956 607 V CB 1.487 32.852 31.823 -0.763 0.000 1.023 607 V HN -0.152 nan 8.190 nan 0.000 0.435 608 F N 1.514 121.076 119.950 -0.647 0.000 2.480 608 F HA 0.534 5.076 4.527 0.025 0.000 0.319 608 F C 1.930 177.580 175.800 -0.250 0.000 1.230 608 F CA 0.678 58.438 58.000 -0.399 0.000 1.285 608 F CB 0.708 39.488 39.000 -0.367 0.000 1.208 608 F HN 0.767 nan 8.300 nan 0.000 0.579 609 A N 0.716 123.580 122.820 0.073 0.000 1.986 609 A HA -0.224 4.110 4.320 0.024 0.000 0.220 609 A C 1.654 179.195 177.584 -0.072 0.000 1.171 609 A CA 1.912 53.967 52.037 0.029 0.000 0.640 609 A CB -0.985 18.073 19.000 0.097 0.000 0.811 609 A HN 0.791 nan 8.150 nan 0.000 0.451 610 D N -2.976 117.385 120.400 -0.065 0.000 2.328 610 D HA 0.115 4.770 4.640 0.024 0.000 0.226 610 D C 0.704 176.955 176.300 -0.081 0.000 1.066 610 D CA 0.094 54.027 54.000 -0.111 0.000 0.861 610 D CB -0.064 40.666 40.800 -0.117 0.000 0.912 610 D HN 0.214 nan 8.370 nan 0.000 0.521 611 R N -1.919 118.534 120.500 -0.078 0.000 3.728 611 R HA -0.123 4.232 4.340 0.024 0.000 0.478 611 R C -0.122 176.134 176.300 -0.073 0.000 0.932 611 R CA 1.140 57.196 56.100 -0.074 0.000 1.317 611 R CB -3.174 27.132 30.300 0.010 0.000 1.987 611 R HN 0.263 nan 8.270 nan 0.000 0.509 612 T N 2.674 117.194 114.554 -0.057 0.000 2.916 612 T HA 0.343 4.707 4.350 0.024 0.000 0.303 612 T C -2.296 172.388 174.700 -0.028 0.000 1.025 612 T CA -0.552 61.525 62.100 -0.040 0.000 1.142 612 T CB 1.011 69.821 68.868 -0.097 0.000 0.947 612 T HN -0.080 nan 8.240 nan 0.000 0.544 613 P HA 0.322 nan 4.420 nan 0.000 0.281 613 P C -0.442 176.785 177.300 -0.121 0.000 1.249 613 P CA -0.436 62.589 63.100 -0.125 0.000 0.810 613 P CB 0.556 32.229 31.700 -0.045 0.000 1.008 614 H N 2.055 121.010 119.070 -0.193 0.000 2.509 614 H HA 0.181 4.751 4.556 0.024 0.000 0.359 614 H C -1.239 174.010 175.328 -0.133 0.000 1.253 614 H CA -1.387 54.513 56.048 -0.248 0.000 1.373 614 H CB 0.110 29.663 29.762 -0.348 0.000 1.555 614 H HN 0.353 nan 8.280 nan 0.000 0.586 615 P HA -0.169 nan 4.420 nan 0.000 0.218 615 P C 0.982 178.289 177.300 0.012 0.000 1.148 615 P CA 1.612 64.719 63.100 0.012 0.000 0.822 615 P CB 0.010 31.719 31.700 0.014 0.000 0.784 616 A N -0.455 122.363 122.820 -0.004 0.000 2.024 616 A HA -0.194 4.140 4.320 0.024 0.000 0.220 616 A C 2.074 179.614 177.584 -0.073 0.000 1.164 616 A CA 1.287 53.283 52.037 -0.068 0.000 0.643 616 A CB -1.615 17.303 19.000 -0.136 0.000 0.806 616 A HN 0.160 nan 8.150 nan 0.000 0.451 617 L N -0.529 120.680 121.223 -0.024 0.000 2.079 617 L HA -0.136 4.219 4.340 0.024 0.000 0.210 617 L C 2.529 179.453 176.870 0.089 0.000 1.081 617 L CA 2.697 57.559 54.840 0.036 0.000 0.752 617 L CB -0.946 41.136 42.059 0.038 0.000 0.896 617 L HN 0.392 nan 8.230 nan 0.000 0.433 618 T N -1.880 112.728 114.554 0.089 0.000 2.951 618 T HA -0.168 4.197 4.350 0.024 0.000 0.268 618 T C 1.782 176.593 174.700 0.185 0.000 1.073 618 T CA 1.324 63.530 62.100 0.177 0.000 1.134 618 T CB -0.079 68.878 68.868 0.148 0.000 0.884 618 T HN 0.458 nan 8.240 nan 0.000 0.479 619 E N 0.725 120.972 120.200 0.078 0.000 2.107 619 E HA 0.130 4.495 4.350 0.024 0.000 0.191 619 E C 2.181 178.796 176.600 0.025 0.000 0.982 619 E CA 1.219 57.669 56.400 0.084 0.000 0.809 619 E CB -0.561 29.151 29.700 0.020 0.000 0.756 619 E HN 0.519 nan 8.360 nan 0.000 0.459 620 A N 1.126 123.855 122.820 -0.151 0.000 1.877 620 A HA -0.232 4.102 4.320 0.024 0.000 0.216 620 A C 2.161 179.646 177.584 -0.164 0.000 1.186 620 A CA 1.936 53.836 52.037 -0.229 0.000 0.620 620 A CB -0.651 18.213 19.000 -0.226 0.000 0.822 620 A HN 0.263 nan 8.150 nan 0.000 0.443 621 K N -1.266 119.113 120.400 -0.036 0.000 2.074 621 K HA -0.309 4.026 4.320 0.024 0.000 0.209 621 K C 2.050 178.562 176.600 -0.146 0.000 1.048 621 K CA 2.158 58.436 56.287 -0.015 0.000 0.926 621 K CB -0.339 32.308 32.500 0.244 0.000 0.713 621 K HN 0.663 nan 8.250 nan 0.000 0.444 622 H N 0.146 119.044 119.070 -0.285 0.000 2.363 622 H HA 0.018 4.589 4.556 0.025 0.000 0.301 622 H C 1.904 176.970 175.328 -0.436 0.000 1.074 622 H CA 1.587 57.275 56.048 -0.600 0.000 1.354 622 H CB 0.162 29.609 29.762 -0.526 0.000 1.397 622 H HN 0.232 nan 8.280 nan 0.000 0.516 623 Q N 0.163 119.749 119.800 -0.357 0.000 2.297 623 Q HA -0.057 4.298 4.340 0.024 0.000 0.204 623 Q C 1.235 176.709 176.000 -0.877 0.000 0.962 623 Q CA 0.971 56.475 55.803 -0.498 0.000 0.879 623 Q CB 0.172 28.771 28.738 -0.232 0.000 0.947 623 Q HN 0.689 nan 8.270 nan 0.000 0.462 624 Q N 0.190 119.432 119.800 -0.931 0.000 2.247 624 Q HA 0.098 4.452 4.340 0.024 0.000 0.205 624 Q C -0.166 175.288 176.000 -0.910 0.000 0.896 624 Q CA -0.215 54.876 55.803 -1.187 0.000 0.950 624 Q CB 0.411 28.495 28.738 -1.090 0.000 1.054 624 Q HN 0.345 nan 8.270 nan 0.000 0.482 625 Q N -0.617 118.802 119.800 -0.636 0.000 2.428 625 Q HA -0.014 4.341 4.340 0.024 0.000 0.276 625 Q C -0.104 175.554 176.000 -0.570 0.000 1.059 625 Q CA 0.391 55.961 55.803 -0.387 0.000 0.923 625 Q CB 0.498 29.083 28.738 -0.255 0.000 1.283 625 Q HN 0.315 nan 8.270 nan 0.000 0.447 626 F N 0.092 119.829 119.950 -0.356 0.000 2.727 626 F HA 0.220 4.761 4.527 0.024 0.000 0.302 626 F C -0.210 175.039 175.800 -0.919 0.000 1.097 626 F CA -0.022 57.537 58.000 -0.736 0.000 1.330 626 F CB 0.561 38.857 39.000 -1.173 0.000 1.084 626 F HN 0.293 nan 8.300 nan 0.000 0.578 627 F N 0.316 120.195 119.950 -0.117 0.000 2.540 627 F HA 0.496 5.039 4.527 0.025 0.000 0.317 627 F C -0.125 175.346 175.800 -0.550 0.000 1.104 627 F CA -1.138 56.687 58.000 -0.292 0.000 0.913 627 F CB 1.318 40.180 39.000 -0.230 0.000 1.170 627 F HN -0.329 nan 8.300 nan 0.000 0.450 628 Q N 2.921 122.463 119.800 -0.431 0.000 2.306 628 Q HA 0.604 4.959 4.340 0.024 0.000 0.265 628 Q C -1.322 174.391 176.000 -0.477 0.000 1.022 628 Q CA -0.584 55.011 55.803 -0.348 0.000 0.853 628 Q CB 2.730 31.381 28.738 -0.145 0.000 1.327 628 Q HN 0.538 nan 8.270 nan 0.000 0.449 629 F N 0.012 120.093 119.950 0.219 0.000 2.603 629 F HA 0.631 5.173 4.527 0.025 0.000 0.317 629 F C 0.155 176.183 175.800 0.381 0.000 1.066 629 F CA -0.842 57.355 58.000 0.328 0.000 0.941 629 F CB 2.085 41.419 39.000 0.557 0.000 1.291 629 F HN 0.225 nan 8.300 nan 0.000 0.472 630 R N 0.979 121.775 120.500 0.494 0.000 2.740 630 R HA 0.759 5.114 4.340 0.024 0.000 0.273 630 R C -2.082 174.265 176.300 0.079 0.000 0.998 630 R CA -1.082 55.232 56.100 0.356 0.000 0.900 630 R CB 2.801 33.211 30.300 0.183 0.000 1.223 630 R HN 0.565 nan 8.270 nan 0.000 0.466 631 L N 0.297 121.445 121.223 -0.124 0.000 2.365 631 L HA 0.704 5.058 4.340 0.024 0.000 0.273 631 L C -1.246 175.474 176.870 -0.250 0.000 1.000 631 L CA 0.041 54.598 54.840 -0.471 0.000 0.819 631 L CB 2.305 43.657 42.059 -1.178 0.000 1.284 631 L HN 0.541 nan 8.230 nan 0.000 0.418 632 S N 3.536 119.109 115.700 -0.212 0.000 2.750 632 S HA 0.698 5.183 4.470 0.024 0.000 0.276 632 S C 0.181 174.695 174.600 -0.145 0.000 1.165 632 S CA 0.278 58.396 58.200 -0.136 0.000 1.047 632 S CB 0.382 63.536 63.200 -0.077 0.000 1.056 632 S HN 1.721 nan 8.310 nan 0.000 0.481 633 G N 4.518 113.235 108.800 -0.139 0.000 2.565 633 G HA2 -0.352 3.623 3.960 0.024 0.000 0.295 633 G HA3 -0.352 3.623 3.960 0.024 0.000 0.295 633 G C 0.524 175.318 174.900 -0.177 0.000 1.165 633 G CA 0.940 45.961 45.100 -0.132 0.000 0.977 633 G HN 0.779 nan 8.290 nan 0.000 0.546 634 Q N 0.848 120.548 119.800 -0.167 0.000 2.319 634 Q HA 0.365 4.720 4.340 0.024 0.000 0.202 634 Q C 0.611 176.479 176.000 -0.221 0.000 0.896 634 Q CA 1.022 56.704 55.803 -0.203 0.000 0.942 634 Q CB 0.343 28.986 28.738 -0.159 0.000 1.083 634 Q HN 0.599 nan 8.270 nan 0.000 0.510 635 T N 0.570 115.011 114.554 -0.189 0.000 2.767 635 T HA 0.466 4.830 4.350 0.024 0.000 0.288 635 T C -0.209 174.370 174.700 -0.201 0.000 0.963 635 T CA -0.358 61.642 62.100 -0.166 0.000 1.019 635 T CB 0.929 69.734 68.868 -0.106 0.000 0.923 635 T HN 0.095 nan 8.240 nan 0.000 0.468 636 I N 2.925 123.387 120.570 -0.180 0.000 2.336 636 I HA 0.298 4.483 4.170 0.024 0.000 0.292 636 I C 0.487 176.604 176.117 0.000 0.000 0.991 636 I CA -0.507 60.708 61.300 -0.143 0.000 1.227 636 I CB 1.242 39.169 38.000 -0.122 0.000 1.366 636 I HN 0.600 nan 8.210 nan 0.000 0.466 637 E N 6.890 127.126 120.200 0.059 0.000 2.145 637 E HA 0.449 4.814 4.350 0.024 0.000 0.270 637 E C -1.577 175.120 176.600 0.161 0.000 0.906 637 E CA -0.622 55.832 56.400 0.091 0.000 0.761 637 E CB 1.626 31.364 29.700 0.064 0.000 1.116 637 E HN 0.346 nan 8.360 nan 0.000 0.408 638 V N 4.103 124.104 119.914 0.144 0.000 2.394 638 V HA 0.340 4.474 4.120 0.024 0.000 0.282 638 V C 0.009 176.141 176.094 0.065 0.000 1.031 638 V CA -0.505 61.854 62.300 0.099 0.000 0.881 638 V CB 1.668 33.583 31.823 0.154 0.000 0.982 638 V HN 0.720 nan 8.190 nan 0.000 0.451 639 T N 3.209 117.764 114.554 0.001 0.000 2.829 639 T HA 0.361 4.725 4.350 0.024 0.000 0.280 639 T C -0.131 174.579 174.700 0.016 0.000 0.999 639 T CA -0.294 61.814 62.100 0.014 0.000 0.983 639 T CB 1.617 70.467 68.868 -0.030 0.000 0.968 639 T HN 0.672 nan 8.240 nan 0.000 0.446 640 S N 1.583 117.296 115.700 0.022 0.000 2.499 640 S HA 0.235 4.720 4.470 0.024 0.000 0.279 640 S C 0.750 175.215 174.600 -0.226 0.000 1.219 640 S CA -0.577 57.553 58.200 -0.118 0.000 1.062 640 S CB 0.619 63.827 63.200 0.012 0.000 0.978 640 S HN 0.720 nan 8.310 nan 0.000 0.489 641 E N 2.957 122.915 120.200 -0.404 0.000 2.463 641 E HA 0.084 4.448 4.350 0.024 0.000 0.193 641 E C -0.762 175.643 176.600 -0.325 0.000 1.041 641 E CA -0.111 56.097 56.400 -0.320 0.000 0.879 641 E CB 0.227 29.725 29.700 -0.337 0.000 0.997 641 E HN 0.657 nan 8.360 nan 0.000 0.478 642 Y N 0.582 120.765 120.300 -0.194 0.000 2.597 642 Y HA -0.062 4.502 4.550 0.024 0.000 0.336 642 Y C 1.394 177.126 175.900 -0.279 0.000 1.216 642 Y CA 0.481 58.462 58.100 -0.199 0.000 1.463 642 Y CB 0.541 38.871 38.460 -0.217 0.000 1.303 642 Y HN -0.008 nan 8.280 nan 0.000 0.576 643 L N 1.348 122.398 121.223 -0.289 0.000 2.408 643 L HA 0.011 4.365 4.340 0.024 0.000 0.215 643 L C 0.657 177.099 176.870 -0.713 0.000 1.081 643 L CA 0.608 55.031 54.840 -0.695 0.000 0.840 643 L CB -0.024 41.210 42.059 -1.375 0.000 1.002 643 L HN 0.568 nan 8.230 nan 0.000 0.468 644 F N -0.662 119.298 119.950 0.017 0.000 2.577 644 F HA 0.204 4.744 4.527 0.023 0.000 0.282 644 F C 1.303 177.089 175.800 -0.023 0.000 0.957 644 F CA -0.716 57.272 58.000 -0.019 0.000 1.168 644 F CB -0.020 38.953 39.000 -0.046 0.000 0.958 644 F HN -0.142 nan 8.300 nan 0.000 0.702 645 R N 0.658 121.214 120.500 0.093 0.000 2.500 645 R HA 0.354 4.709 4.340 0.024 0.000 0.277 645 R C -0.463 175.825 176.300 -0.019 0.000 1.026 645 R CA -0.514 55.587 56.100 0.002 0.000 1.058 645 R CB 0.602 30.792 30.300 -0.183 0.000 1.078 645 R HN 0.141 nan 8.270 nan 0.000 0.509 646 H N 0.533 119.600 119.070 -0.006 0.000 2.547 646 H HA 0.036 4.607 4.556 0.024 0.000 0.362 646 H C 0.218 175.572 175.328 0.044 0.000 1.181 646 H CA 0.205 56.279 56.048 0.044 0.000 1.376 646 H CB 1.565 31.358 29.762 0.051 0.000 1.488 646 H HN 0.769 nan 8.280 nan 0.000 0.583 647 S N 1.018 116.864 115.700 0.244 0.000 4.175 647 S HA -0.057 4.428 4.470 0.024 0.000 0.193 647 S C 0.311 175.014 174.600 0.172 0.000 1.373 647 S CA -0.651 57.705 58.200 0.259 0.000 0.908 647 S CB -0.817 62.593 63.200 0.350 0.000 1.547 647 S HN 0.567 nan 8.310 nan 0.000 0.440 648 D N 0.679 121.153 120.400 0.124 0.000 2.325 648 D HA 0.058 4.713 4.640 0.024 0.000 0.234 648 D C 0.343 176.683 176.300 0.066 0.000 1.122 648 D CA -0.249 53.803 54.000 0.086 0.000 0.850 648 D CB -0.362 40.474 40.800 0.060 0.000 0.921 648 D HN 0.505 nan 8.370 nan 0.000 0.513 649 N N 0.038 118.788 118.700 0.083 0.000 2.604 649 N HA 0.128 4.882 4.740 0.024 0.000 0.284 649 N C -1.535 174.035 175.510 0.101 0.000 1.716 649 N CA -0.175 52.919 53.050 0.072 0.000 0.859 649 N CB 0.302 38.825 38.487 0.060 0.000 1.403 649 N HN -0.054 nan 8.380 nan 0.000 0.501 650 E N 0.057 120.310 120.200 0.088 0.000 2.343 650 E HA 0.498 4.862 4.350 0.024 0.000 0.278 650 E C -1.317 175.312 176.600 0.049 0.000 0.910 650 E CA -0.688 55.758 56.400 0.075 0.000 0.757 650 E CB 2.315 32.034 29.700 0.032 0.000 1.218 650 E HN 0.308 nan 8.360 nan 0.000 0.435 651 L N 1.062 122.319 121.223 0.057 0.000 2.401 651 L HA 0.705 5.060 4.340 0.024 0.000 0.266 651 L C -1.549 175.381 176.870 0.100 0.000 0.991 651 L CA -1.169 53.714 54.840 0.071 0.000 0.818 651 L CB 1.420 43.521 42.059 0.070 0.000 1.321 651 L HN 0.567 nan 8.230 nan 0.000 0.413 652 L N 3.806 125.108 121.223 0.131 0.000 2.275 652 L HA 0.443 4.797 4.340 0.024 0.000 0.288 652 L C -0.480 176.538 176.870 0.247 0.000 1.046 652 L CA -0.001 54.954 54.840 0.193 0.000 0.805 652 L CB 0.680 42.867 42.059 0.213 0.000 1.193 652 L HN 0.715 nan 8.230 nan 0.000 0.426 653 H N 6.166 125.312 119.070 0.127 0.000 2.457 653 H HA 0.346 4.917 4.556 0.024 0.000 0.335 653 H C -1.637 173.770 175.328 0.132 0.000 1.115 653 H CA -0.759 55.312 56.048 0.039 0.000 1.219 653 H CB 0.999 30.749 29.762 -0.019 0.000 1.471 653 H HN 0.753 nan 8.280 nan 0.000 0.491 654 W N 5.098 126.084 121.300 -0.524 0.000 2.864 654 W HA 0.537 5.211 4.660 0.024 0.000 0.343 654 W C -1.991 174.263 176.519 -0.441 0.000 1.109 654 W CA -1.300 55.842 57.345 -0.338 0.000 1.192 654 W CB 1.514 30.900 29.460 -0.123 0.000 1.426 654 W HN 0.509 nan 8.180 nan 0.000 0.529 655 M N 3.281 122.943 119.600 0.103 0.000 2.322 655 M HA 0.549 5.044 4.480 0.024 0.000 0.285 655 M C -2.599 173.854 176.300 0.254 0.000 1.119 655 M CA -0.695 54.610 55.300 0.009 0.000 0.953 655 M CB 1.747 34.281 32.600 -0.109 0.000 1.701 655 M HN 0.207 nan 8.290 nan 0.000 0.479 656 V N 4.141 124.221 119.914 0.277 0.000 2.459 656 V HA 1.015 5.150 4.120 0.024 0.000 0.295 656 V C -0.353 175.843 176.094 0.171 0.000 1.029 656 V CA -0.114 62.339 62.300 0.255 0.000 0.874 656 V CB 1.282 33.262 31.823 0.261 0.000 0.985 656 V HN 1.088 nan 8.190 nan 0.000 0.438 657 A N 4.697 127.626 122.820 0.183 0.000 2.449 657 A HA 0.862 5.197 4.320 0.024 0.000 0.302 657 A C -1.412 176.288 177.584 0.192 0.000 1.048 657 A CA -0.605 51.514 52.037 0.137 0.000 0.708 657 A CB 1.682 20.726 19.000 0.074 0.000 1.274 657 A HN 0.866 nan 8.150 nan 0.000 0.410 658 L N 1.660 122.967 121.223 0.140 0.000 2.262 658 L HA 0.541 4.896 4.340 0.024 0.000 0.288 658 L C -0.582 176.388 176.870 0.167 0.000 1.035 658 L CA 0.260 55.197 54.840 0.163 0.000 0.820 658 L CB 0.275 42.395 42.059 0.102 0.000 1.204 658 L HN 0.753 nan 8.230 nan 0.000 0.424 659 D N 4.591 125.163 120.400 0.286 0.000 2.686 659 D HA -0.210 4.444 4.640 0.024 0.000 0.235 659 D C 1.154 177.487 176.300 0.055 0.000 1.160 659 D CA 1.437 55.583 54.000 0.245 0.000 0.645 659 D CB -1.185 39.725 40.800 0.183 0.000 1.039 659 D HN 1.201 nan 8.370 nan 0.000 0.423 660 G N -0.917 107.876 108.800 -0.012 0.000 2.284 660 G HA2 -0.390 3.584 3.960 0.024 0.000 0.247 660 G HA3 -0.390 3.584 3.960 0.024 0.000 0.247 660 G C 0.386 175.208 174.900 -0.129 0.000 1.012 660 G CA 0.615 45.602 45.100 -0.190 0.000 0.618 660 G HN 0.484 nan 8.290 nan 0.000 0.521 661 K N 2.158 122.532 120.400 -0.043 0.000 2.248 661 K HA 0.514 4.849 4.320 0.024 0.000 0.281 661 K C -2.439 174.156 176.600 -0.009 0.000 1.054 661 K CA -1.910 54.356 56.287 -0.036 0.000 0.903 661 K CB 1.540 34.034 32.500 -0.009 0.000 1.077 661 K HN 0.080 nan 8.250 nan 0.000 0.474 662 P HA -0.002 nan 4.420 nan 0.000 0.268 662 P C -0.124 177.185 177.300 0.015 0.000 1.204 662 P CA 0.055 63.151 63.100 -0.007 0.000 0.768 662 P CB 0.725 32.406 31.700 -0.032 0.000 0.842 663 L N 1.121 122.370 121.223 0.043 0.000 2.624 663 L HA 0.484 4.839 4.340 0.024 0.000 0.222 663 L C 0.818 177.726 176.870 0.064 0.000 1.046 663 L CA 0.447 55.320 54.840 0.055 0.000 0.872 663 L CB 0.246 42.352 42.059 0.078 0.000 1.190 663 L HN 0.425 nan 8.230 nan 0.000 0.487 664 A N -0.354 122.516 122.820 0.083 0.000 2.586 664 A HA 0.641 4.976 4.320 0.024 0.000 0.291 664 A C -1.011 176.537 177.584 -0.059 0.000 1.062 664 A CA 0.130 52.217 52.037 0.084 0.000 0.666 664 A CB 1.591 20.737 19.000 0.243 0.000 1.281 664 A HN 0.108 nan 8.150 nan 0.000 0.421 665 S N -0.850 114.575 115.700 -0.457 0.000 2.615 665 S HA 0.927 5.411 4.470 0.024 0.000 0.268 665 S C -0.288 173.386 174.600 -1.543 0.000 1.146 665 S CA 0.004 57.397 58.200 -1.345 0.000 0.818 665 S CB 0.883 63.707 63.200 -0.627 0.000 1.111 665 S HN 2.636 nan 8.310 nan 0.000 0.465 666 G N -0.090 107.447 108.800 -2.105 0.000 2.606 666 G HA2 0.690 4.665 3.960 0.024 0.000 0.300 666 G HA3 0.690 4.665 3.960 0.024 0.000 0.300 666 G C -2.351 172.194 174.900 -0.592 0.000 1.360 666 G CA -0.878 43.670 45.100 -0.921 0.000 0.783 666 G HN 0.912 nan 8.290 nan 0.000 0.484 667 E N -1.107 119.065 120.200 -0.046 0.000 2.331 667 E HA 0.614 4.978 4.350 0.024 0.000 0.275 667 E C -1.585 175.124 176.600 0.182 0.000 0.895 667 E CA -0.956 55.514 56.400 0.117 0.000 0.753 667 E CB 3.127 32.892 29.700 0.108 0.000 1.216 667 E HN 0.340 nan 8.360 nan 0.000 0.434 668 V N 2.058 122.092 119.914 0.201 0.000 2.686 668 V HA 0.413 4.548 4.120 0.024 0.000 0.306 668 V C -2.454 173.716 176.094 0.127 0.000 1.065 668 V CA -2.061 60.340 62.300 0.168 0.000 0.894 668 V CB 2.021 33.959 31.823 0.190 0.000 1.004 668 V HN 0.615 nan 8.190 nan 0.000 0.424 669 P HA 0.307 nan 4.420 nan 0.000 0.275 669 P C -0.769 176.578 177.300 0.079 0.000 1.227 669 P CA -0.141 63.007 63.100 0.079 0.000 0.781 669 P CB 0.862 32.602 31.700 0.067 0.000 0.906 670 L N 2.971 124.233 121.223 0.065 0.000 2.307 670 L HA 0.342 4.696 4.340 0.024 0.000 0.282 670 L C 0.399 177.324 176.870 0.090 0.000 1.051 670 L CA 0.064 54.938 54.840 0.057 0.000 0.804 670 L CB 0.953 43.000 42.059 -0.019 0.000 1.197 670 L HN 0.362 nan 8.230 nan 0.000 0.431 671 D N 3.284 123.752 120.400 0.115 0.000 2.517 671 D HA 0.303 4.958 4.640 0.024 0.000 0.263 671 D C -1.323 175.091 176.300 0.190 0.000 1.233 671 D CA -0.175 53.917 54.000 0.153 0.000 0.849 671 D CB 0.912 41.784 40.800 0.120 0.000 1.261 671 D HN 0.037 nan 8.370 nan 0.000 0.516 672 V N 1.340 121.383 119.914 0.214 0.000 2.495 672 V HA 0.862 4.996 4.120 0.024 0.000 0.298 672 V C 0.960 177.078 176.094 0.040 0.000 1.031 672 V CA -1.152 61.252 62.300 0.173 0.000 0.871 672 V CB 1.223 33.184 31.823 0.230 0.000 0.988 672 V HN 0.551 nan 8.190 nan 0.000 0.432 673 A N 6.586 129.307 122.820 -0.166 0.000 2.346 673 A HA 0.650 4.985 4.320 0.024 0.000 0.252 673 A C -2.233 175.121 177.584 -0.384 0.000 1.089 673 A CA -1.350 50.173 52.037 -0.858 0.000 0.797 673 A CB -0.250 18.548 19.000 -0.337 0.000 1.047 673 A HN 0.696 nan 8.150 nan 0.000 0.494 674 P HA 0.036 nan 4.420 nan 0.000 0.263 674 P C -0.536 176.694 177.300 -0.117 0.000 1.195 674 P CA 0.597 63.612 63.100 -0.141 0.000 0.762 674 P CB 0.734 32.361 31.700 -0.121 0.000 0.799 675 Q N -0.841 118.902 119.800 -0.096 0.000 2.324 675 Q HA -0.154 4.200 4.340 0.024 0.000 0.200 675 Q C 0.768 176.738 176.000 -0.050 0.000 0.645 675 Q CA 1.823 57.576 55.803 -0.082 0.000 1.377 675 Q CB -2.549 26.140 28.738 -0.082 0.000 1.486 675 Q HN 0.755 nan 8.270 nan 0.000 0.796 676 G N 0.200 108.977 108.800 -0.038 0.000 2.543 676 G HA2 0.555 4.530 3.960 0.024 0.000 0.290 676 G HA3 0.555 4.530 3.960 0.024 0.000 0.290 676 G C -0.248 174.668 174.900 0.026 0.000 1.310 676 G CA -0.495 44.602 45.100 -0.005 0.000 1.025 676 G HN -0.018 nan 8.290 nan 0.000 0.502 677 K N -0.644 119.780 120.400 0.040 0.000 2.435 677 K HA 0.423 4.758 4.320 0.024 0.000 0.251 677 K C -1.018 175.623 176.600 0.068 0.000 0.954 677 K CA -0.613 55.706 56.287 0.054 0.000 0.820 677 K CB 2.653 35.176 32.500 0.037 0.000 1.292 677 K HN 0.566 nan 8.250 nan 0.000 0.436 678 Q N 2.988 122.836 119.800 0.080 0.000 2.347 678 Q HA 0.424 4.779 4.340 0.024 0.000 0.271 678 Q C -1.571 174.469 176.000 0.067 0.000 1.064 678 Q CA -0.691 55.158 55.803 0.078 0.000 0.800 678 Q CB 1.417 30.212 28.738 0.095 0.000 1.304 678 Q HN 0.527 nan 8.270 nan 0.000 0.438 679 L N 4.748 125.999 121.223 0.047 0.000 2.309 679 L HA 0.574 4.929 4.340 0.024 0.000 0.282 679 L C -0.456 176.426 176.870 0.020 0.000 1.036 679 L CA -0.755 54.102 54.840 0.027 0.000 0.806 679 L CB 1.361 43.425 42.059 0.009 0.000 1.220 679 L HN 0.625 nan 8.230 nan 0.000 0.429 680 I N 2.399 122.969 120.570 0.000 0.000 2.439 680 I HA 0.218 4.402 4.170 0.024 0.000 0.285 680 I C -0.534 175.531 176.117 -0.087 0.000 1.021 680 I CA -0.519 60.769 61.300 -0.020 0.000 1.091 680 I CB 2.288 40.291 38.000 0.005 0.000 1.242 680 I HN 0.523 nan 8.210 nan 0.000 0.439 681 E N 6.669 126.818 120.200 -0.085 0.000 2.115 681 E HA 0.420 4.784 4.350 0.024 0.000 0.282 681 E C -0.816 175.668 176.600 -0.194 0.000 0.987 681 E CA -0.340 55.983 56.400 -0.128 0.000 0.797 681 E CB 0.902 30.553 29.700 -0.083 0.000 1.086 681 E HN 0.414 nan 8.360 nan 0.000 0.397 682 L N 6.091 127.132 121.223 -0.303 0.000 2.452 682 L HA 0.308 4.662 4.340 0.024 0.000 0.267 682 L C -1.749 174.960 176.870 -0.268 0.000 1.188 682 L CA -1.792 52.777 54.840 -0.452 0.000 0.821 682 L CB 0.249 41.959 42.059 -0.581 0.000 1.102 682 L HN 0.499 nan 8.230 nan 0.000 0.470 683 P HA 0.035 nan 4.420 nan 0.000 0.276 683 P C -0.742 176.505 177.300 -0.089 0.000 1.252 683 P CA -0.579 62.471 63.100 -0.084 0.000 0.802 683 P CB 0.377 32.085 31.700 0.013 0.000 1.035 684 E N 1.606 121.778 120.200 -0.047 0.000 2.529 684 E HA -0.055 4.310 4.350 0.024 0.000 0.259 684 E C -0.744 175.840 176.600 -0.027 0.000 0.966 684 E CA 0.228 56.603 56.400 -0.042 0.000 0.937 684 E CB 0.012 29.695 29.700 -0.029 0.000 0.923 684 E HN 0.350 nan 8.360 nan 0.000 0.468 685 L N 7.630 128.829 121.223 -0.040 0.000 2.385 685 L HA 0.212 4.567 4.340 0.024 0.000 0.285 685 L C -1.870 174.999 176.870 -0.001 0.000 1.125 685 L CA -1.916 52.912 54.840 -0.020 0.000 0.890 685 L CB 0.241 42.276 42.059 -0.040 0.000 1.251 685 L HN 0.360 nan 8.230 nan 0.000 0.445 686 P HA 0.051 nan 4.420 nan 0.000 0.266 686 P C -0.347 176.963 177.300 0.018 0.000 1.195 686 P CA -0.344 62.767 63.100 0.018 0.000 0.768 686 P CB 0.544 32.261 31.700 0.029 0.000 0.838 687 Q N 3.327 123.134 119.800 0.012 0.000 2.474 687 Q HA 0.267 4.621 4.340 0.024 0.000 0.256 687 Q C -1.848 174.163 176.000 0.019 0.000 1.048 687 Q CA -0.553 55.257 55.803 0.012 0.000 0.922 687 Q CB -0.502 28.241 28.738 0.007 0.000 1.288 687 Q HN 0.401 nan 8.270 nan 0.000 0.484 688 P HA 0.271 nan 4.420 nan 0.000 0.292 688 P C -1.234 176.080 177.300 0.023 0.000 1.300 688 P CA -0.562 62.554 63.100 0.027 0.000 0.900 688 P CB 1.246 32.966 31.700 0.032 0.000 1.139 689 E N 1.184 121.399 120.200 0.024 0.000 2.674 689 E HA 0.408 4.773 4.350 0.024 0.000 0.240 689 E C -0.703 175.912 176.600 0.024 0.000 1.213 689 E CA -0.279 56.134 56.400 0.021 0.000 1.357 689 E CB 0.173 29.884 29.700 0.018 0.000 1.467 689 E HN 0.384 nan 8.360 nan 0.000 0.448 690 S N -0.337 115.380 115.700 0.028 0.000 2.680 690 S HA 0.400 4.884 4.470 0.024 0.000 0.284 690 S C -0.441 174.181 174.600 0.036 0.000 1.055 690 S CA -0.976 57.243 58.200 0.032 0.000 0.849 690 S CB 1.003 64.224 63.200 0.036 0.000 1.068 690 S HN 0.422 nan 8.310 nan 0.000 0.453 691 A N 0.664 123.507 122.820 0.038 0.000 2.386 691 A HA 0.890 5.225 4.320 0.024 0.000 0.246 691 A C 0.938 178.555 177.584 0.055 0.000 1.089 691 A CA 0.541 52.603 52.037 0.041 0.000 0.790 691 A CB -0.325 18.701 19.000 0.043 0.000 1.042 691 A HN 2.393 nan 8.150 nan 0.000 0.497 692 G N -0.995 107.841 108.800 0.059 0.000 2.359 692 G HA2 0.475 4.450 3.960 0.024 0.000 0.314 692 G HA3 0.475 4.450 3.960 0.024 0.000 0.314 692 G C -1.238 173.706 174.900 0.073 0.000 1.364 692 G CA -0.160 44.992 45.100 0.088 0.000 0.978 692 G HN 1.199 nan 8.290 nan 0.000 0.615 693 Q N -0.202 119.663 119.800 0.109 0.000 2.307 693 Q HA 0.739 5.094 4.340 0.024 0.000 0.262 693 Q C -0.486 175.565 176.000 0.085 0.000 0.961 693 Q CA -0.629 55.187 55.803 0.022 0.000 0.882 693 Q CB 1.365 30.094 28.738 -0.015 0.000 1.264 693 Q HN 0.596 nan 8.270 nan 0.000 0.446 694 L N 4.144 125.358 121.223 -0.015 0.000 2.326 694 L HA 0.495 4.849 4.340 0.024 0.000 0.278 694 L C -0.804 176.035 176.870 -0.052 0.000 1.092 694 L CA -0.379 54.498 54.840 0.061 0.000 0.810 694 L CB 0.712 42.786 42.059 0.025 0.000 1.153 694 L HN 0.679 nan 8.230 nan 0.000 0.439 695 W N 4.083 125.436 121.300 0.088 0.000 2.785 695 W HA 0.507 5.182 4.660 0.024 0.000 0.333 695 W C -0.880 175.731 176.519 0.153 0.000 1.062 695 W CA -0.534 56.883 57.345 0.120 0.000 1.233 695 W CB 1.692 31.245 29.460 0.155 0.000 1.413 695 W HN 0.106 nan 8.180 nan 0.000 0.489 696 L N 3.449 124.929 121.223 0.429 0.000 2.296 696 L HA 0.743 5.098 4.340 0.024 0.000 0.286 696 L C -0.299 176.858 176.870 0.478 0.000 1.023 696 L CA 0.162 55.237 54.840 0.393 0.000 0.812 696 L CB 1.119 43.374 42.059 0.326 0.000 1.223 696 L HN 0.326 nan 8.230 nan 0.000 0.421 697 T N 5.017 119.791 114.554 0.366 0.000 2.829 697 T HA 0.712 5.076 4.350 0.024 0.000 0.280 697 T C -0.692 174.170 174.700 0.270 0.000 0.999 697 T CA -0.433 61.846 62.100 0.297 0.000 0.983 697 T CB 1.628 70.615 68.868 0.200 0.000 0.968 697 T HN 0.616 nan 8.240 nan 0.000 0.446 698 V N 1.288 121.344 119.914 0.236 0.000 2.823 698 V HA 0.879 5.014 4.120 0.024 0.000 0.312 698 V C -0.866 175.317 176.094 0.148 0.000 1.072 698 V CA -1.178 61.225 62.300 0.173 0.000 0.937 698 V CB 2.023 33.908 31.823 0.104 0.000 1.013 698 V HN 0.828 nan 8.190 nan 0.000 0.430 699 R N 1.881 122.500 120.500 0.198 0.000 2.771 699 R HA 0.819 5.174 4.340 0.024 0.000 0.274 699 R C -1.681 174.775 176.300 0.260 0.000 0.987 699 R CA -0.771 55.490 56.100 0.268 0.000 0.908 699 R CB 2.753 33.200 30.300 0.245 0.000 1.213 699 R HN 0.686 nan 8.270 nan 0.000 0.468 700 V N 2.749 122.845 119.914 0.302 0.000 2.370 700 V HA 0.415 4.550 4.120 0.024 0.000 0.283 700 V C -0.451 175.768 176.094 0.208 0.000 1.023 700 V CA -0.634 61.804 62.300 0.230 0.000 0.857 700 V CB 1.552 33.496 31.823 0.201 0.000 0.985 700 V HN 0.416 nan 8.190 nan 0.000 0.443 701 V N 4.973 124.976 119.914 0.148 0.000 2.628 701 V HA 0.418 4.553 4.120 0.024 0.000 0.306 701 V C -0.239 175.927 176.094 0.120 0.000 1.045 701 V CA -0.744 61.626 62.300 0.117 0.000 0.905 701 V CB 2.082 33.944 31.823 0.064 0.000 0.997 701 V HN 0.885 nan 8.190 nan 0.000 0.436 702 Q N 5.193 125.076 119.800 0.139 0.000 2.390 702 Q HA 0.274 4.629 4.340 0.024 0.000 0.249 702 Q C -1.787 174.247 176.000 0.056 0.000 0.996 702 Q CA -1.749 54.125 55.803 0.118 0.000 0.899 702 Q CB 1.851 30.677 28.738 0.146 0.000 1.216 702 Q HN 0.473 nan 8.270 nan 0.000 0.465 703 P HA -0.141 nan 4.420 nan 0.000 0.219 703 P C -0.541 176.757 177.300 -0.005 0.000 1.150 703 P CA 1.070 64.178 63.100 0.013 0.000 0.814 703 P CB 0.416 32.123 31.700 0.012 0.000 0.787 704 N N -0.739 117.953 118.700 -0.013 0.000 2.417 704 N HA 0.465 5.219 4.740 0.024 0.000 0.300 704 N C -0.334 175.126 175.510 -0.083 0.000 1.102 704 N CA -0.724 52.303 53.050 -0.038 0.000 0.886 704 N CB 1.160 39.628 38.487 -0.033 0.000 1.203 704 N HN -0.086 nan 8.380 nan 0.000 0.496 705 A N 0.707 123.471 122.820 -0.093 0.000 2.386 705 A HA 0.448 4.783 4.320 0.024 0.000 0.246 705 A C 0.542 178.000 177.584 -0.209 0.000 1.089 705 A CA 0.093 52.038 52.037 -0.153 0.000 0.790 705 A CB -0.007 18.927 19.000 -0.111 0.000 1.042 705 A HN 0.708 nan 8.150 nan 0.000 0.497 706 T N -3.495 110.851 114.554 -0.347 0.000 2.716 706 T HA 0.622 4.987 4.350 0.024 0.000 0.286 706 T C 0.894 175.432 174.700 -0.271 0.000 1.052 706 T CA 0.053 61.938 62.100 -0.359 0.000 1.024 706 T CB 1.042 69.489 68.868 -0.702 0.000 1.349 706 T HN 1.429 nan 8.240 nan 0.000 0.525 707 A N -0.107 122.648 122.820 -0.107 0.000 2.121 707 A HA 0.112 4.446 4.320 0.024 0.000 0.218 707 A C 1.518 179.218 177.584 0.192 0.000 1.154 707 A CA 1.063 53.133 52.037 0.054 0.000 0.679 707 A CB -0.907 18.157 19.000 0.107 0.000 0.795 707 A HN 0.900 nan 8.150 nan 0.000 0.458 708 W N -0.957 120.409 121.300 0.109 0.000 2.534 708 W HA 0.430 5.105 4.660 0.026 0.000 0.339 708 W C -0.247 176.254 176.519 -0.029 0.000 0.961 708 W CA 0.453 57.849 57.345 0.084 0.000 1.545 708 W CB -1.094 28.411 29.460 0.076 0.000 1.104 708 W HN 0.412 nan 8.180 nan 0.000 0.538 709 S N -0.215 115.056 115.700 -0.715 0.000 2.565 709 S HA 0.470 4.954 4.470 0.024 0.000 0.269 709 S C -1.126 173.243 174.600 -0.385 0.000 1.153 709 S CA -0.736 57.081 58.200 -0.637 0.000 0.835 709 S CB 2.789 65.227 63.200 -1.269 0.000 1.122 709 S HN 0.100 nan 8.310 nan 0.000 0.462 710 E N 0.419 120.508 120.200 -0.185 0.000 2.280 710 E HA 0.636 5.000 4.350 0.024 0.000 0.264 710 E C 0.237 176.798 176.600 -0.065 0.000 1.064 710 E CA -0.915 55.429 56.400 -0.093 0.000 0.900 710 E CB 1.403 31.093 29.700 -0.017 0.000 1.123 710 E HN 0.884 nan 8.360 nan 0.000 0.418 711 A N 0.576 123.366 122.820 -0.050 0.000 2.520 711 A HA 0.378 4.713 4.320 0.024 0.000 0.235 711 A C 1.135 178.721 177.584 0.005 0.000 1.065 711 A CA 0.845 52.864 52.037 -0.028 0.000 0.764 711 A CB -0.444 18.540 19.000 -0.027 0.000 1.002 711 A HN 0.820 nan 8.150 nan 0.000 0.502 712 G N 0.144 108.956 108.800 0.020 0.000 2.195 712 G HA2 -0.254 3.720 3.960 0.024 0.000 0.246 712 G HA3 -0.254 3.720 3.960 0.024 0.000 0.246 712 G C 0.300 175.232 174.900 0.054 0.000 0.984 712 G CA 0.713 45.825 45.100 0.021 0.000 0.633 712 G HN 1.792 nan 8.290 nan 0.000 0.525 713 H N 0.960 120.031 119.070 0.002 0.000 3.167 713 H HA 0.352 4.923 4.556 0.024 0.000 0.306 713 H C 0.769 176.171 175.328 0.122 0.000 0.965 713 H CA 0.570 56.648 56.048 0.050 0.000 1.408 713 H CB 0.065 29.832 29.762 0.010 0.000 1.406 713 H HN 0.342 nan 8.280 nan 0.000 0.576 714 I N 4.786 125.112 120.570 -0.407 0.000 2.325 714 I HA 0.026 4.211 4.170 0.024 0.000 0.291 714 I C 0.919 176.928 176.117 -0.181 0.000 1.019 714 I CA 0.126 61.328 61.300 -0.164 0.000 1.302 714 I CB 1.390 39.351 38.000 -0.065 0.000 1.401 714 I HN 0.779 nan 8.210 nan 0.000 0.485 715 S N 4.232 120.059 115.700 0.211 0.000 2.523 715 S HA 0.593 5.078 4.470 0.024 0.000 0.217 715 S C 0.350 175.260 174.600 0.517 0.000 0.996 715 S CA -0.056 58.410 58.200 0.442 0.000 0.921 715 S CB 0.561 64.134 63.200 0.622 0.000 0.829 715 S HN 0.710 nan 8.310 nan 0.000 0.495 716 A N 0.546 123.708 122.820 0.570 0.000 2.608 716 A HA 0.676 5.010 4.320 0.024 0.000 0.292 716 A C -1.757 176.240 177.584 0.690 0.000 1.066 716 A CA -0.870 51.486 52.037 0.532 0.000 0.676 716 A CB 0.368 19.724 19.000 0.594 0.000 1.277 716 A HN 0.965 nan 8.150 nan 0.000 0.413 717 W N -0.202 121.300 121.300 0.337 0.000 3.005 717 W HA 0.811 5.487 4.660 0.025 0.000 0.343 717 W C -1.212 175.371 176.519 0.106 0.000 1.243 717 W CA -0.615 56.815 57.345 0.142 0.000 1.186 717 W CB 1.166 30.679 29.460 0.090 0.000 1.453 717 W HN 1.025 nan 8.180 nan 0.000 0.575 718 Q N 0.963 120.805 119.800 0.071 0.000 2.594 718 Q HA 0.427 4.782 4.340 0.024 0.000 0.278 718 Q C -1.559 174.282 176.000 -0.266 0.000 0.961 718 Q CA -0.457 55.220 55.803 -0.209 0.000 0.844 718 Q CB 2.336 30.745 28.738 -0.549 0.000 1.475 718 Q HN 0.625 nan 8.270 nan 0.000 0.389 719 Q N 1.185 120.768 119.800 -0.361 0.000 2.484 719 Q HA 0.663 5.018 4.340 0.024 0.000 0.285 719 Q C -1.086 174.749 176.000 -0.276 0.000 1.097 719 Q CA -0.759 55.010 55.803 -0.057 0.000 0.802 719 Q CB 2.551 31.457 28.738 0.281 0.000 1.444 719 Q HN 0.592 nan 8.270 nan 0.000 0.429 720 W N 0.543 121.990 121.300 0.244 0.000 3.107 720 W HA 0.441 5.115 4.660 0.024 0.000 0.331 720 W C -0.465 175.966 176.519 -0.147 0.000 1.204 720 W CA -0.651 56.736 57.345 0.069 0.000 1.184 720 W CB 1.795 31.262 29.460 0.011 0.000 1.421 720 W HN 0.428 nan 8.180 nan 0.000 0.544 721 R N 1.556 121.915 120.500 -0.235 0.000 2.390 721 R HA 0.505 4.859 4.340 0.024 0.000 0.291 721 R C 0.438 176.578 176.300 -0.266 0.000 1.070 721 R CA -0.160 55.542 56.100 -0.663 0.000 1.014 721 R CB 1.141 31.015 30.300 -0.711 0.000 1.007 721 R HN 0.295 nan 8.270 nan 0.000 0.466 722 L N 1.173 122.245 121.223 -0.251 0.000 2.783 722 L HA 0.549 4.904 4.340 0.024 0.000 0.205 722 L C 0.555 177.337 176.870 -0.147 0.000 1.985 722 L CA -1.099 53.659 54.840 -0.136 0.000 2.546 722 L CB -0.109 41.905 42.059 -0.075 0.000 2.829 722 L HN 0.590 nan 8.230 nan 0.000 0.614 723 A N 0.324 123.086 122.820 -0.096 0.000 2.466 723 A HA 0.198 4.533 4.320 0.024 0.000 0.238 723 A C -0.280 177.252 177.584 -0.086 0.000 1.074 723 A CA 0.269 52.258 52.037 -0.079 0.000 0.774 723 A CB 0.106 19.077 19.000 -0.048 0.000 1.015 723 A HN 0.625 nan 8.150 nan 0.000 0.498 724 E N 0.864 121.022 120.200 -0.071 0.000 2.248 724 E HA 0.341 4.705 4.350 0.024 0.000 0.267 724 E C -1.475 175.111 176.600 -0.023 0.000 0.877 724 E CA -0.741 55.626 56.400 -0.055 0.000 0.759 724 E CB 0.997 30.654 29.700 -0.072 0.000 1.182 724 E HN 0.675 nan 8.360 nan 0.000 0.418 725 N N 4.708 123.406 118.700 -0.003 0.000 2.518 725 N HA 0.283 5.038 4.740 0.024 0.000 0.254 725 N C -0.637 174.882 175.510 0.015 0.000 0.979 725 N CA -0.354 52.699 53.050 0.005 0.000 0.930 725 N CB 1.208 39.701 38.487 0.011 0.000 1.152 725 N HN 0.462 nan 8.380 nan 0.000 0.505 726 L N 0.673 121.904 121.223 0.013 0.000 2.456 726 L HA 0.156 4.511 4.340 0.024 0.000 0.272 726 L C 1.308 178.194 176.870 0.027 0.000 1.189 726 L CA 0.014 54.867 54.840 0.023 0.000 0.846 726 L CB 0.481 42.552 42.059 0.020 0.000 1.111 726 L HN 0.345 nan 8.230 nan 0.000 0.475 727 S N 1.331 117.052 115.700 0.035 0.000 2.523 727 S HA 0.290 4.775 4.470 0.024 0.000 0.275 727 S C 0.505 175.123 174.600 0.030 0.000 1.281 727 S CA -0.776 57.445 58.200 0.034 0.000 1.050 727 S CB 0.899 64.125 63.200 0.042 0.000 0.937 727 S HN 0.475 nan 8.310 nan 0.000 0.492 728 V N 2.101 122.030 119.914 0.025 0.000 3.253 728 V HA 0.357 4.491 4.120 0.024 0.000 0.320 728 V C 0.504 176.611 176.094 0.021 0.000 1.442 728 V CA 0.033 62.346 62.300 0.022 0.000 1.097 728 V CB -0.531 31.303 31.823 0.017 0.000 1.008 728 V HN 0.846 nan 8.190 nan 0.000 0.463 729 T N 1.386 115.954 114.554 0.023 0.000 2.749 729 T HA 0.695 5.059 4.350 0.024 0.000 0.295 729 T C -0.138 174.575 174.700 0.022 0.000 0.936 729 T CA -0.539 61.574 62.100 0.021 0.000 1.060 729 T CB 1.021 69.902 68.868 0.022 0.000 0.904 729 T HN 0.321 nan 8.240 nan 0.000 0.500 730 L N 4.544 125.778 121.223 0.018 0.000 2.514 730 L HA 0.237 4.592 4.340 0.024 0.000 0.280 730 L C -0.616 176.263 176.870 0.015 0.000 1.223 730 L CA -1.166 53.684 54.840 0.016 0.000 0.864 730 L CB -1.017 41.050 42.059 0.013 0.000 1.118 730 L HN 0.413 nan 8.230 nan 0.000 0.494 731 P HA -0.034 nan 4.420 nan 0.000 0.212 731 P C -0.037 177.263 177.300 0.001 0.000 1.178 731 P CA 1.479 64.584 63.100 0.008 0.000 0.915 731 P CB 0.026 31.728 31.700 0.003 0.000 0.788 732 A N -2.385 120.431 122.820 -0.006 0.000 2.350 732 A HA 0.436 4.771 4.320 0.024 0.000 0.656 732 A C -0.217 177.346 177.584 -0.035 0.000 0.164 732 A CA -0.645 51.386 52.037 -0.010 0.000 0.135 732 A CB -1.324 17.673 19.000 -0.005 0.000 3.788 732 A HN 0.462 nan 8.150 nan 0.000 0.531 733 A N 2.485 125.294 122.820 -0.018 0.000 2.580 733 A HA 0.506 4.840 4.320 0.024 0.000 0.244 733 A C 1.020 178.559 177.584 -0.076 0.000 1.045 733 A CA 0.934 52.959 52.037 -0.021 0.000 0.761 733 A CB -0.540 18.468 19.000 0.014 0.000 0.962 733 A HN 2.260 nan 8.150 nan 0.000 0.512 734 S N 2.187 117.834 115.700 -0.089 0.000 2.545 734 S HA 0.272 4.757 4.470 0.024 0.000 0.275 734 S C 0.549 175.118 174.600 -0.052 0.000 1.299 734 S CA -0.204 57.898 58.200 -0.164 0.000 1.048 734 S CB 0.305 63.447 63.200 -0.097 0.000 0.938 734 S HN 0.730 nan 8.310 nan 0.000 0.496 735 H N 1.265 120.349 119.070 0.025 0.000 2.491 735 H HA 0.266 4.837 4.556 0.024 0.000 0.290 735 H C 0.934 176.277 175.328 0.025 0.000 1.050 735 H CA 0.691 56.753 56.048 0.023 0.000 1.309 735 H CB 0.099 29.874 29.762 0.022 0.000 1.392 735 H HN 0.779 nan 8.280 nan 0.000 0.554 736 A N 0.642 123.523 122.820 0.103 0.000 2.532 736 A HA 0.657 4.992 4.320 0.024 0.000 0.290 736 A C -1.198 176.417 177.584 0.053 0.000 1.143 736 A CA -0.713 51.372 52.037 0.079 0.000 0.728 736 A CB 1.648 20.702 19.000 0.090 0.000 1.317 736 A HN 0.120 nan 8.150 nan 0.000 0.414 737 I N 1.433 122.038 120.570 0.058 0.000 2.466 737 I HA 0.342 4.527 4.170 0.024 0.000 0.289 737 I C -2.444 173.715 176.117 0.070 0.000 1.026 737 I CA -2.012 59.316 61.300 0.046 0.000 1.078 737 I CB 2.301 40.324 38.000 0.038 0.000 1.249 737 I HN 0.402 nan 8.210 nan 0.000 0.429 738 P HA 0.034 nan 4.420 nan 0.000 0.269 738 P C -0.863 176.502 177.300 0.107 0.000 1.209 738 P CA 0.167 63.322 63.100 0.091 0.000 0.776 738 P CB 0.377 32.084 31.700 0.012 0.000 0.876 739 H N 2.412 121.514 119.070 0.053 0.000 2.457 739 H HA 0.413 4.983 4.556 0.024 0.000 0.335 739 H C -1.138 174.221 175.328 0.052 0.000 1.115 739 H CA -0.917 55.156 56.048 0.042 0.000 1.219 739 H CB 1.223 31.014 29.762 0.048 0.000 1.471 739 H HN 0.236 nan 8.280 nan 0.000 0.491 740 L N 4.488 125.334 121.223 -0.628 0.000 2.282 740 L HA 0.306 4.660 4.340 0.024 0.000 0.288 740 L C -0.703 175.904 176.870 -0.439 0.000 1.033 740 L CA -0.102 54.519 54.840 -0.364 0.000 0.807 740 L CB 1.529 43.436 42.059 -0.254 0.000 1.209 740 L HN 0.539 nan 8.230 nan 0.000 0.423 741 T N 3.671 118.216 114.554 -0.015 0.000 2.770 741 T HA 0.405 4.769 4.350 0.024 0.000 0.297 741 T C -0.157 174.644 174.700 0.169 0.000 0.997 741 T CA -0.267 61.915 62.100 0.137 0.000 0.949 741 T CB 0.662 69.658 68.868 0.213 0.000 0.941 741 T HN 0.697 nan 8.240 nan 0.000 0.457 742 T N 3.477 118.126 114.554 0.157 0.000 2.795 742 T HA 0.643 5.008 4.350 0.024 0.000 0.282 742 T C 0.192 174.955 174.700 0.105 0.000 0.980 742 T CA -0.657 61.576 62.100 0.221 0.000 1.012 742 T CB 0.976 69.995 68.868 0.252 0.000 0.936 742 T HN 0.699 nan 8.240 nan 0.000 0.457 743 S N 1.995 117.711 115.700 0.028 0.000 2.661 743 S HA 0.489 4.974 4.470 0.024 0.000 0.285 743 S C 0.762 175.316 174.600 -0.077 0.000 1.138 743 S CA -0.919 57.275 58.200 -0.011 0.000 0.855 743 S CB 1.540 64.739 63.200 -0.002 0.000 1.136 743 S HN 0.451 nan 8.310 nan 0.000 0.484 744 E N 0.684 120.850 120.200 -0.057 0.000 2.085 744 E HA -0.140 4.225 4.350 0.024 0.000 0.194 744 E C 1.561 178.086 176.600 -0.126 0.000 0.994 744 E CA 1.748 58.101 56.400 -0.079 0.000 0.801 744 E CB -0.509 29.165 29.700 -0.043 0.000 0.743 744 E HN 0.791 nan 8.360 nan 0.000 0.453 745 M N -0.630 118.910 119.600 -0.100 0.000 2.441 745 M HA 0.310 4.804 4.480 0.024 0.000 0.244 745 M C -0.232 175.983 176.300 -0.141 0.000 1.122 745 M CA 0.129 55.366 55.300 -0.105 0.000 1.041 745 M CB 0.372 32.944 32.600 -0.046 0.000 1.438 745 M HN -0.306 nan 8.290 nan 0.000 0.484 746 D N -0.381 119.912 120.400 -0.177 0.000 2.609 746 D HA 0.403 5.058 4.640 0.024 0.000 0.239 746 D C -1.525 174.672 176.300 -0.171 0.000 1.229 746 D CA -0.305 53.612 54.000 -0.139 0.000 0.808 746 D CB 2.202 43.018 40.800 0.026 0.000 1.448 746 D HN -0.055 nan 8.370 nan 0.000 0.433 747 F N 1.138 121.170 119.950 0.138 0.000 2.402 747 F HA 0.356 4.898 4.527 0.024 0.000 0.355 747 F C 0.167 176.109 175.800 0.238 0.000 1.123 747 F CA -0.737 57.342 58.000 0.132 0.000 1.021 747 F CB 1.026 40.068 39.000 0.071 0.000 1.160 747 F HN 0.121 nan 8.300 nan 0.000 0.451 748 C N 4.558 124.080 119.300 0.370 0.000 2.493 748 C HA 0.798 5.273 4.460 0.024 0.000 0.326 748 C C -0.115 175.061 174.990 0.310 0.000 1.200 748 C CA -0.900 58.321 59.018 0.338 0.000 1.739 748 C CB 1.138 29.012 27.740 0.225 0.000 2.300 748 C HN 0.589 nan 8.230 nan 0.000 0.500 749 I N 2.319 123.124 120.570 0.391 0.000 2.509 749 I HA 0.487 4.671 4.170 0.024 0.000 0.293 749 I C -0.503 175.889 176.117 0.459 0.000 1.020 749 I CA -0.114 61.398 61.300 0.354 0.000 1.088 749 I CB 1.706 39.879 38.000 0.287 0.000 1.267 749 I HN 0.617 nan 8.210 nan 0.000 0.430 750 E N 5.733 126.152 120.200 0.365 0.000 2.266 750 E HA 0.778 5.142 4.350 0.024 0.000 0.268 750 E C -1.454 175.340 176.600 0.323 0.000 0.879 750 E CA -0.690 55.903 56.400 0.320 0.000 0.762 750 E CB 2.656 32.463 29.700 0.178 0.000 1.199 750 E HN 0.347 nan 8.360 nan 0.000 0.422 751 L N 2.263 123.690 121.223 0.339 0.000 2.541 751 L HA 0.615 4.969 4.340 0.024 0.000 0.266 751 L C 0.353 177.330 176.870 0.179 0.000 0.966 751 L CA 0.591 55.598 54.840 0.277 0.000 0.871 751 L CB 1.084 43.353 42.059 0.350 0.000 1.232 751 L HN 0.674 nan 8.230 nan 0.000 0.408 752 G N 4.462 113.327 108.800 0.108 0.000 2.583 752 G HA2 -0.414 3.560 3.960 0.024 0.000 0.292 752 G HA3 -0.414 3.560 3.960 0.024 0.000 0.292 752 G C 0.465 175.381 174.900 0.026 0.000 1.203 752 G CA 0.571 45.709 45.100 0.063 0.000 0.987 752 G HN 1.296 nan 8.290 nan 0.000 0.554 753 N N 1.361 120.064 118.700 0.004 0.000 2.313 753 N HA 0.179 4.934 4.740 0.024 0.000 0.207 753 N C 0.295 175.765 175.510 -0.067 0.000 1.141 753 N CA 0.682 53.714 53.050 -0.030 0.000 0.830 753 N CB 0.221 38.688 38.487 -0.033 0.000 1.008 753 N HN 0.710 nan 8.380 nan 0.000 0.481 754 K N 0.039 120.387 120.400 -0.086 0.000 2.208 754 K HA 0.494 4.829 4.320 0.024 0.000 0.247 754 K C -0.555 175.889 176.600 -0.261 0.000 0.953 754 K CA -0.707 55.418 56.287 -0.270 0.000 0.837 754 K CB 2.350 34.570 32.500 -0.468 0.000 1.131 754 K HN -0.002 nan 8.250 nan 0.000 0.431 755 R N 1.340 121.616 120.500 -0.374 0.000 2.668 755 R HA 0.393 4.748 4.340 0.024 0.000 0.272 755 R C -1.577 174.667 176.300 -0.092 0.000 1.019 755 R CA -0.632 55.430 56.100 -0.064 0.000 0.894 755 R CB 1.265 31.530 30.300 -0.059 0.000 1.228 755 R HN 0.611 nan 8.270 nan 0.000 0.460 756 W N 2.657 124.078 121.300 0.202 0.000 2.844 756 W HA 0.347 5.022 4.660 0.024 0.000 0.340 756 W C -0.681 175.928 176.519 0.150 0.000 1.093 756 W CA -0.639 56.758 57.345 0.087 0.000 1.212 756 W CB 2.260 31.750 29.460 0.051 0.000 1.422 756 W HN 0.439 nan 8.180 nan 0.000 0.515 757 Q N 2.449 122.359 119.800 0.183 0.000 2.310 757 Q HA 0.389 4.744 4.340 0.024 0.000 0.270 757 Q C -1.965 173.961 176.000 -0.125 0.000 1.025 757 Q CA -0.491 55.418 55.803 0.177 0.000 0.772 757 Q CB 1.453 30.367 28.738 0.294 0.000 1.253 757 Q HN 0.358 nan 8.270 nan 0.000 0.450 758 F N 3.023 123.064 119.950 0.150 0.000 2.361 758 F HA 0.309 4.850 4.527 0.024 0.000 0.364 758 F C 0.682 176.522 175.800 0.066 0.000 1.117 758 F CA -0.788 57.266 58.000 0.091 0.000 1.071 758 F CB 1.104 40.160 39.000 0.093 0.000 1.188 758 F HN 0.473 nan 8.300 nan 0.000 0.464 759 N N 3.716 122.510 118.700 0.157 0.000 2.475 759 N HA 0.061 4.816 4.740 0.024 0.000 0.267 759 N C 0.930 176.463 175.510 0.038 0.000 1.169 759 N CA -0.033 53.066 53.050 0.081 0.000 0.947 759 N CB 0.752 39.292 38.487 0.088 0.000 1.061 759 N HN 0.703 nan 8.380 nan 0.000 0.466 760 R N 2.462 122.914 120.500 -0.081 0.000 2.235 760 R HA -0.046 4.308 4.340 0.024 0.000 0.213 760 R C 1.502 177.756 176.300 -0.077 0.000 1.059 760 R CA 0.938 56.949 56.100 -0.149 0.000 0.997 760 R CB 0.245 30.326 30.300 -0.364 0.000 0.884 760 R HN 0.680 nan 8.270 nan 0.000 0.462 761 Q N -0.227 119.551 119.800 -0.037 0.000 2.204 761 Q HA -0.025 4.330 4.340 0.024 0.000 0.198 761 Q C 2.106 178.112 176.000 0.009 0.000 0.946 761 Q CA 1.486 57.279 55.803 -0.017 0.000 0.859 761 Q CB 0.409 29.147 28.738 0.001 0.000 0.946 761 Q HN 0.310 nan 8.270 nan 0.000 0.474 762 S N -1.272 114.457 115.700 0.048 0.000 2.439 762 S HA 0.118 4.603 4.470 0.024 0.000 0.224 762 S C 1.546 176.127 174.600 -0.031 0.000 1.029 762 S CA 0.693 58.956 58.200 0.104 0.000 0.946 762 S CB 0.378 63.736 63.200 0.263 0.000 0.797 762 S HN 0.457 nan 8.310 nan 0.000 0.504 763 G N 0.457 109.237 108.800 -0.034 0.000 2.136 763 G HA2 -0.190 3.784 3.960 0.024 0.000 0.242 763 G HA3 -0.190 3.784 3.960 0.024 0.000 0.242 763 G C -0.192 174.612 174.900 -0.160 0.000 0.989 763 G CA 0.329 45.380 45.100 -0.083 0.000 0.682 763 G HN 0.479 nan 8.290 nan 0.000 0.522 764 F N -1.294 118.831 119.950 0.291 0.000 2.598 764 F HA 0.705 5.247 4.527 0.024 0.000 0.327 764 F C 0.380 176.210 175.800 0.050 0.000 1.057 764 F CA -1.716 56.413 58.000 0.216 0.000 0.957 764 F CB 1.346 40.420 39.000 0.122 0.000 1.278 764 F HN 0.019 nan 8.300 nan 0.000 0.484 765 L N 1.881 123.159 121.223 0.093 0.000 2.565 765 L HA 0.189 4.544 4.340 0.024 0.000 0.275 765 L C 0.902 177.672 176.870 -0.167 0.000 1.137 765 L CA 0.546 55.109 54.840 -0.463 0.000 0.915 765 L CB 0.022 41.799 42.059 -0.469 0.000 1.232 765 L HN 0.689 nan 8.230 nan 0.000 0.473 766 S N 2.377 117.977 115.700 -0.166 0.000 2.503 766 S HA 0.257 4.742 4.470 0.024 0.000 0.215 766 S C 0.560 175.033 174.600 -0.211 0.000 1.003 766 S CA -0.201 57.938 58.200 -0.101 0.000 0.910 766 S CB 0.129 63.318 63.200 -0.018 0.000 0.790 766 S HN 0.647 nan 8.310 nan 0.000 0.514 767 Q N 0.115 119.721 119.800 -0.324 0.000 2.426 767 Q HA 0.619 4.974 4.340 0.024 0.000 0.278 767 Q C -1.880 173.720 176.000 -0.667 0.000 1.007 767 Q CA -0.368 55.083 55.803 -0.587 0.000 0.850 767 Q CB 1.837 30.067 28.738 -0.847 0.000 1.427 767 Q HN 0.279 nan 8.270 nan 0.000 0.391 768 M N 2.896 122.007 119.600 -0.816 0.000 2.324 768 M HA 0.499 4.994 4.480 0.024 0.000 0.288 768 M C -2.002 173.922 176.300 -0.626 0.000 1.097 768 M CA -0.076 54.838 55.300 -0.644 0.000 0.928 768 M CB 1.529 33.739 32.600 -0.650 0.000 1.648 768 M HN 0.762 nan 8.290 nan 0.000 0.460 769 W N 5.418 126.479 121.300 -0.399 0.000 2.736 769 W HA 0.542 5.216 4.660 0.024 0.000 0.335 769 W C -0.899 175.433 176.519 -0.312 0.000 1.059 769 W CA -0.731 56.448 57.345 -0.276 0.000 1.226 769 W CB 1.693 31.032 29.460 -0.200 0.000 1.416 769 W HN 0.509 nan 8.180 nan 0.000 0.505 770 I N 3.153 123.719 120.570 -0.006 0.000 2.330 770 I HA 0.344 4.529 4.170 0.024 0.000 0.286 770 I C 0.907 177.020 176.117 -0.006 0.000 1.025 770 I CA 0.476 61.739 61.300 -0.062 0.000 1.197 770 I CB 0.643 38.589 38.000 -0.090 0.000 1.358 770 I HN 0.751 nan 8.210 nan 0.000 0.467 771 G N 6.046 114.836 108.800 -0.017 0.000 2.556 771 G HA2 -0.343 3.632 3.960 0.024 0.000 0.283 771 G HA3 -0.343 3.632 3.960 0.024 0.000 0.283 771 G C 0.370 175.283 174.900 0.022 0.000 1.177 771 G CA 0.499 45.590 45.100 -0.014 0.000 0.978 771 G HN 0.781 nan 8.290 nan 0.000 0.554 772 D N 0.752 121.172 120.400 0.033 0.000 2.328 772 D HA 0.216 4.871 4.640 0.024 0.000 0.221 772 D C 0.480 176.903 176.300 0.205 0.000 1.072 772 D CA 0.291 54.339 54.000 0.081 0.000 0.850 772 D CB 0.222 41.039 40.800 0.029 0.000 0.922 772 D HN 0.296 nan 8.370 nan 0.000 0.516 773 K N 1.379 121.870 120.400 0.153 0.000 2.262 773 K HA 0.253 4.587 4.320 0.024 0.000 0.282 773 K C 0.223 176.822 176.600 -0.001 0.000 1.066 773 K CA -0.386 55.949 56.287 0.079 0.000 0.901 773 K CB 1.526 34.030 32.500 0.007 0.000 1.089 773 K HN 0.104 nan 8.250 nan 0.000 0.476 774 K N 2.408 122.732 120.400 -0.127 0.000 2.401 774 K HA 0.022 4.357 4.320 0.024 0.000 0.278 774 K C 1.066 177.500 176.600 -0.276 0.000 1.018 774 K CA -0.003 56.014 56.287 -0.451 0.000 0.981 774 K CB 0.713 32.988 32.500 -0.375 0.000 0.933 774 K HN 0.359 nan 8.250 nan 0.000 0.477 775 Q N 1.713 121.323 119.800 -0.317 0.000 2.378 775 Q HA 0.168 4.522 4.340 0.024 0.000 0.216 775 Q C 0.259 176.190 176.000 -0.115 0.000 0.892 775 Q CA 0.427 56.158 55.803 -0.119 0.000 0.931 775 Q CB 0.540 29.278 28.738 0.000 0.000 1.086 775 Q HN 0.503 nan 8.270 nan 0.000 0.528 776 L N 0.558 121.642 121.223 -0.232 0.000 2.342 776 L HA 0.389 4.743 4.340 0.024 0.000 0.271 776 L C 0.894 177.636 176.870 -0.213 0.000 1.008 776 L CA -0.400 54.321 54.840 -0.198 0.000 0.818 776 L CB 1.716 43.642 42.059 -0.222 0.000 1.296 776 L HN -0.048 nan 8.230 nan 0.000 0.427 777 L N 0.208 121.299 121.223 -0.221 0.000 2.537 777 L HA 0.235 4.590 4.340 0.024 0.000 0.224 777 L C 0.140 176.894 176.870 -0.193 0.000 1.065 777 L CA 0.656 55.371 54.840 -0.209 0.000 0.860 777 L CB 0.798 42.712 42.059 -0.243 0.000 1.086 777 L HN 0.607 nan 8.230 nan 0.000 0.482 778 T N -0.050 114.369 114.554 -0.224 0.000 2.909 778 T HA 0.410 4.774 4.350 0.024 0.000 0.299 778 T C -2.575 172.058 174.700 -0.111 0.000 1.073 778 T CA -1.123 60.895 62.100 -0.136 0.000 0.999 778 T CB 2.486 71.259 68.868 -0.159 0.000 1.098 778 T HN -0.265 nan 8.240 nan 0.000 0.477 779 P HA 0.171 nan 4.420 nan 0.000 0.270 779 P C -0.687 176.570 177.300 -0.073 0.000 1.227 779 P CA -0.696 62.365 63.100 -0.064 0.000 0.788 779 P CB 0.410 32.099 31.700 -0.018 0.000 0.926 780 L N 2.678 123.896 121.223 -0.008 0.000 2.325 780 L HA 0.284 4.638 4.340 0.024 0.000 0.284 780 L C 0.118 176.931 176.870 -0.094 0.000 1.089 780 L CA 0.542 55.413 54.840 0.052 0.000 0.836 780 L CB -0.578 41.630 42.059 0.249 0.000 1.184 780 L HN 0.278 nan 8.230 nan 0.000 0.444 781 R N 2.760 123.112 120.500 -0.246 0.000 2.837 781 R HA 0.455 4.810 4.340 0.024 0.000 0.271 781 R C -0.987 175.183 176.300 -0.217 0.000 0.993 781 R CA -1.035 54.736 56.100 -0.549 0.000 0.931 781 R CB 1.338 31.186 30.300 -0.754 0.000 1.206 781 R HN 0.547 nan 8.270 nan 0.000 0.474 782 D N 1.175 121.521 120.400 -0.090 0.000 2.378 782 D HA 0.044 4.698 4.640 0.024 0.000 0.238 782 D C -0.409 175.565 176.300 -0.543 0.000 1.180 782 D CA 0.397 54.220 54.000 -0.296 0.000 0.895 782 D CB 0.626 41.206 40.800 -0.366 0.000 1.192 782 D HN 0.229 nan 8.370 nan 0.000 0.438 783 Q N 0.848 120.119 119.800 -0.882 0.000 2.271 783 Q HA 0.315 4.670 4.340 0.024 0.000 0.268 783 Q C -1.368 173.950 176.000 -1.137 0.000 1.021 783 Q CA -0.558 54.785 55.803 -0.766 0.000 0.802 783 Q CB 0.719 29.194 28.738 -0.439 0.000 1.282 783 Q HN 0.473 nan 8.270 nan 0.000 0.431 784 F N 0.872 120.437 119.950 -0.641 0.000 2.688 784 F HA 0.214 4.756 4.527 0.024 0.000 0.310 784 F C 0.490 175.840 175.800 -0.749 0.000 1.098 784 F CA 0.039 57.531 58.000 -0.847 0.000 1.228 784 F CB 1.402 39.550 39.000 -1.420 0.000 1.042 784 F HN 0.457 nan 8.300 nan 0.000 0.557 785 T N -1.014 113.235 114.554 -0.508 0.000 2.887 785 T HA 0.798 5.163 4.350 0.024 0.000 0.292 785 T C -0.532 173.918 174.700 -0.418 0.000 1.087 785 T CA -1.030 60.701 62.100 -0.615 0.000 1.009 785 T CB 2.882 71.334 68.868 -0.694 0.000 1.203 785 T HN 0.221 nan 8.240 nan 0.000 0.518 786 R N -0.117 120.178 120.500 -0.343 0.000 2.808 786 R HA 0.786 5.141 4.340 0.024 0.000 0.272 786 R C -0.757 175.586 176.300 0.071 0.000 0.995 786 R CA -1.263 54.765 56.100 -0.120 0.000 0.917 786 R CB 1.535 31.773 30.300 -0.103 0.000 1.217 786 R HN 0.827 nan 8.270 nan 0.000 0.471 787 A N 3.103 125.953 122.820 0.050 0.000 2.522 787 A HA 0.290 4.624 4.320 0.024 0.000 0.256 787 A C -2.034 175.610 177.584 0.100 0.000 1.086 787 A CA -1.285 50.785 52.037 0.056 0.000 0.763 787 A CB -0.485 18.494 19.000 -0.035 0.000 1.024 787 A HN 0.525 nan 8.150 nan 0.000 0.502 788 P HA 0.102 nan 4.420 nan 0.000 0.264 788 P C -0.166 177.241 177.300 0.178 0.000 1.193 788 P CA 0.411 63.665 63.100 0.256 0.000 0.763 788 P CB 0.301 32.178 31.700 0.296 0.000 0.810 789 L N 2.592 123.884 121.223 0.114 0.000 2.475 789 L HA 0.138 4.493 4.340 0.024 0.000 0.253 789 L C 1.824 178.703 176.870 0.016 0.000 1.198 789 L CA -0.400 54.444 54.840 0.006 0.000 0.814 789 L CB -0.008 41.986 42.059 -0.108 0.000 1.134 789 L HN 0.314 nan 8.230 nan 0.000 0.478 790 D N 0.343 120.688 120.400 -0.093 0.000 2.133 790 D HA -0.168 4.486 4.640 0.024 0.000 0.195 790 D C 1.599 177.812 176.300 -0.145 0.000 0.997 790 D CA 1.473 55.338 54.000 -0.224 0.000 0.840 790 D CB 0.015 40.599 40.800 -0.359 0.000 0.947 790 D HN 0.473 nan 8.370 nan 0.000 0.452 791 N N 0.940 119.571 118.700 -0.115 0.000 2.309 791 N HA -0.100 4.655 4.740 0.024 0.000 0.182 791 N C 1.143 176.655 175.510 0.004 0.000 1.018 791 N CA 0.645 53.657 53.050 -0.064 0.000 0.876 791 N CB -0.118 38.322 38.487 -0.079 0.000 0.972 791 N HN 0.233 nan 8.380 nan 0.000 0.434 792 D N 0.300 120.719 120.400 0.031 0.000 2.234 792 D HA 0.056 4.710 4.640 0.024 0.000 0.205 792 D C 1.973 178.314 176.300 0.067 0.000 0.962 792 D CA 0.372 54.427 54.000 0.091 0.000 0.855 792 D CB 0.177 41.109 40.800 0.220 0.000 0.951 792 D HN 0.314 nan 8.370 nan 0.000 0.500 793 I N 0.206 120.803 120.570 0.044 0.000 2.400 793 I HA 0.056 4.241 4.170 0.024 0.000 0.248 793 I C 1.789 177.923 176.117 0.028 0.000 1.109 793 I CA 0.654 61.969 61.300 0.025 0.000 1.425 793 I CB -0.382 37.603 38.000 -0.024 0.000 1.094 793 I HN 0.059 nan 8.210 nan 0.000 0.425 794 G N 1.319 110.147 108.800 0.047 0.000 2.550 794 G HA2 -0.338 3.637 3.960 0.024 0.000 0.277 794 G HA3 -0.338 3.637 3.960 0.024 0.000 0.277 794 G C 0.692 175.744 174.900 0.254 0.000 1.190 794 G CA 0.733 45.920 45.100 0.144 0.000 0.971 794 G HN 0.521 nan 8.290 nan 0.000 0.559 795 V N -1.706 118.298 119.914 0.150 0.000 3.623 795 V HA 0.538 4.672 4.120 0.024 0.000 0.271 795 V C 1.456 177.563 176.094 0.022 0.000 1.248 795 V CA 1.474 63.806 62.300 0.053 0.000 1.156 795 V CB -0.095 31.674 31.823 -0.090 0.000 0.870 795 V HN 1.338 nan 8.190 nan 0.000 0.453 796 S N 1.001 116.716 115.700 0.025 0.000 2.558 796 S HA 0.239 4.723 4.470 0.024 0.000 0.288 796 S C -0.083 174.522 174.600 0.008 0.000 1.318 796 S CA 0.209 58.410 58.200 0.002 0.000 1.056 796 S CB 0.168 63.366 63.200 -0.003 0.000 0.853 796 S HN 0.828 nan 8.310 nan 0.000 0.505 797 E N 1.127 121.327 120.200 0.000 0.000 2.366 797 E HA 0.516 4.880 4.350 0.024 0.000 0.278 797 E C 0.422 177.027 176.600 0.009 0.000 0.923 797 E CA -0.411 55.994 56.400 0.009 0.000 0.761 797 E CB 1.494 31.195 29.700 0.002 0.000 1.231 797 E HN 0.614 nan 8.360 nan 0.000 0.443 798 A N 1.307 124.138 122.820 0.020 0.000 1.948 798 A HA -0.211 4.124 4.320 0.024 0.000 0.220 798 A C 1.984 179.576 177.584 0.013 0.000 1.177 798 A CA 2.572 54.620 52.037 0.019 0.000 0.636 798 A CB -0.812 18.205 19.000 0.028 0.000 0.815 798 A HN 0.643 nan 8.150 nan 0.000 0.449 799 T N -3.323 111.239 114.554 0.012 0.000 3.085 799 T HA 0.086 4.450 4.350 0.024 0.000 0.263 799 T C 0.804 175.501 174.700 -0.006 0.000 1.127 799 T CA 0.944 63.047 62.100 0.005 0.000 1.103 799 T CB -0.134 68.739 68.868 0.008 0.000 0.921 799 T HN 0.415 nan 8.240 nan 0.000 0.510 800 R N 0.882 121.375 120.500 -0.010 0.000 3.189 800 R HA 0.286 4.640 4.340 0.024 0.000 0.222 800 R C -1.258 175.027 176.300 -0.024 0.000 1.735 800 R CA -0.609 55.478 56.100 -0.022 0.000 1.129 800 R CB 0.058 30.337 30.300 -0.036 0.000 1.549 800 R HN 0.185 nan 8.270 nan 0.000 0.525 801 I N 1.948 122.506 120.570 -0.019 0.000 2.775 801 I HA -0.028 4.157 4.170 0.024 0.000 0.290 801 I C 0.484 176.580 176.117 -0.035 0.000 1.203 801 I CA 0.505 61.792 61.300 -0.021 0.000 1.433 801 I CB 0.469 38.459 38.000 -0.016 0.000 1.354 801 I HN 0.527 nan 8.210 nan 0.000 0.579 802 D N 9.307 129.682 120.400 -0.041 0.000 2.454 802 D HA 0.273 4.928 4.640 0.024 0.000 0.225 802 D C -1.710 174.545 176.300 -0.075 0.000 1.081 802 D CA -2.211 51.756 54.000 -0.056 0.000 0.864 802 D CB 1.530 42.299 40.800 -0.052 0.000 1.040 802 D HN 0.186 nan 8.370 nan 0.000 0.517 803 P HA -0.099 nan 4.420 nan 0.000 0.225 803 P C 0.890 178.101 177.300 -0.150 0.000 1.148 803 P CA 0.687 63.730 63.100 -0.097 0.000 0.779 803 P CB 0.191 31.843 31.700 -0.080 0.000 0.780 804 N N -0.462 118.141 118.700 -0.162 0.000 2.422 804 N HA 0.034 4.789 4.740 0.024 0.000 0.181 804 N C 0.386 175.709 175.510 -0.313 0.000 1.080 804 N CA -0.193 52.716 53.050 -0.236 0.000 0.893 804 N CB 0.045 38.419 38.487 -0.188 0.000 0.973 804 N HN -0.027 nan 8.380 nan 0.000 0.456 805 A N 0.270 122.953 122.820 -0.228 0.000 2.445 805 A HA 0.028 4.362 4.320 0.024 0.000 0.242 805 A C 0.517 177.901 177.584 -0.333 0.000 1.075 805 A CA -0.378 51.525 52.037 -0.223 0.000 0.777 805 A CB -0.090 18.851 19.000 -0.098 0.000 1.013 805 A HN 0.465 nan 8.150 nan 0.000 0.493 806 W N 1.435 122.485 121.300 -0.417 0.000 2.338 806 W HA -0.159 4.515 4.660 0.024 0.000 0.304 806 W C 2.195 178.158 176.519 -0.927 0.000 1.212 806 W CA 1.614 58.448 57.345 -0.851 0.000 1.264 806 W CB -0.330 28.478 29.460 -1.087 0.000 1.142 806 W HN 0.541 nan 8.180 nan 0.000 0.512 807 V N 0.909 120.713 119.914 -0.183 0.000 2.469 807 V HA -0.257 3.877 4.120 0.024 0.000 0.251 807 V C 2.082 178.260 176.094 0.141 0.000 1.064 807 V CA 2.050 64.448 62.300 0.164 0.000 1.066 807 V CB -0.303 31.648 31.823 0.214 0.000 0.667 807 V HN 0.098 nan 8.190 nan 0.000 0.461 808 E N -0.146 120.042 120.200 -0.021 0.000 2.158 808 E HA -0.126 4.239 4.350 0.024 0.000 0.191 808 E C 2.328 178.891 176.600 -0.062 0.000 0.982 808 E CA 0.790 57.176 56.400 -0.023 0.000 0.823 808 E CB -0.271 29.393 29.700 -0.060 0.000 0.766 808 E HN 0.627 nan 8.360 nan 0.000 0.468 809 R N -0.012 120.376 120.500 -0.187 0.000 2.073 809 R HA -0.114 4.241 4.340 0.024 0.000 0.234 809 R C 2.274 178.502 176.300 -0.121 0.000 1.134 809 R CA 1.294 57.258 56.100 -0.227 0.000 0.952 809 R CB -0.199 29.845 30.300 -0.426 0.000 0.850 809 R HN 0.245 nan 8.270 nan 0.000 0.433 810 W N 1.547 122.810 121.300 -0.062 0.000 2.381 810 W HA -0.049 4.626 4.660 0.025 0.000 0.301 810 W C 1.998 178.470 176.519 -0.078 0.000 1.205 810 W CA 0.602 57.799 57.345 -0.247 0.000 1.285 810 W CB -0.658 28.792 29.460 -0.017 0.000 1.133 810 W HN 0.103 nan 8.180 nan 0.000 0.521 811 K N 0.210 120.831 120.400 0.368 0.000 2.009 811 K HA -0.120 4.215 4.320 0.024 0.000 0.210 811 K C 2.280 178.939 176.600 0.098 0.000 1.049 811 K CA 1.916 58.380 56.287 0.295 0.000 0.929 811 K CB -0.666 31.955 32.500 0.202 0.000 0.714 811 K HN -0.026 nan 8.250 nan 0.000 0.440 812 A N 1.200 124.048 122.820 0.046 0.000 1.978 812 A HA -0.141 4.194 4.320 0.024 0.000 0.220 812 A C 2.216 179.787 177.584 -0.021 0.000 1.170 812 A CA 1.936 53.982 52.037 0.014 0.000 0.636 812 A CB -0.603 18.394 19.000 -0.005 0.000 0.810 812 A HN 0.371 nan 8.150 nan 0.000 0.448 813 A N -2.145 120.634 122.820 -0.069 0.000 2.208 813 A HA 0.402 4.736 4.320 0.024 0.000 0.209 813 A C 1.844 179.319 177.584 -0.181 0.000 1.161 813 A CA 1.257 53.253 52.037 -0.068 0.000 0.782 813 A CB -0.776 18.160 19.000 -0.106 0.000 0.816 813 A HN 1.899 nan 8.150 nan 0.000 0.477 814 G N -1.645 106.945 108.800 -0.350 0.000 2.141 814 G HA2 -0.294 3.680 3.960 0.024 0.000 0.242 814 G HA3 -0.294 3.680 3.960 0.024 0.000 0.242 814 G C 0.608 175.515 174.900 0.012 0.000 0.982 814 G CA 0.632 45.341 45.100 -0.652 0.000 0.662 814 G HN 0.730 nan 8.290 nan 0.000 0.527 815 H N -1.322 117.732 119.070 -0.027 0.000 2.387 815 H HA -0.115 4.456 4.556 0.024 0.000 0.299 815 H C 2.084 177.390 175.328 -0.037 0.000 1.099 815 H CA 1.666 57.713 56.048 -0.002 0.000 1.315 815 H CB 0.060 29.754 29.762 -0.114 0.000 1.380 815 H HN 0.596 nan 8.280 nan 0.000 0.513 816 Y N -0.033 120.396 120.300 0.215 0.000 2.546 816 Y HA -0.037 4.527 4.550 0.024 0.000 0.287 816 Y C 1.869 177.856 175.900 0.145 0.000 1.158 816 Y CA 0.213 58.401 58.100 0.146 0.000 1.307 816 Y CB 0.503 39.031 38.460 0.114 0.000 1.036 816 Y HN 0.141 nan 8.280 nan 0.000 0.532 817 Q N -0.301 119.669 119.800 0.283 0.000 2.280 817 Q HA 0.344 4.698 4.340 0.024 0.000 0.228 817 Q C 0.741 176.922 176.000 0.302 0.000 0.857 817 Q CA 0.124 56.086 55.803 0.264 0.000 0.939 817 Q CB 0.233 29.127 28.738 0.260 0.000 1.114 817 Q HN 0.257 nan 8.270 nan 0.000 0.514 818 A N 2.110 125.131 122.820 0.334 0.000 2.540 818 A HA 0.137 4.472 4.320 0.024 0.000 0.239 818 A C -0.115 177.761 177.584 0.486 0.000 1.061 818 A CA 0.272 52.564 52.037 0.425 0.000 0.758 818 A CB 0.050 19.326 19.000 0.460 0.000 0.991 818 A HN 0.176 nan 8.150 nan 0.000 0.502 819 E N 1.416 121.819 120.200 0.339 0.000 2.212 819 E HA 0.576 4.941 4.350 0.024 0.000 0.268 819 E C -0.378 176.155 176.600 -0.112 0.000 0.902 819 E CA -0.892 55.628 56.400 0.199 0.000 0.779 819 E CB 1.701 31.488 29.700 0.145 0.000 1.172 819 E HN 0.747 nan 8.360 nan 0.000 0.409 820 A N 2.026 124.648 122.820 -0.331 0.000 2.522 820 A HA 0.433 4.768 4.320 0.024 0.000 0.256 820 A C -0.042 177.399 177.584 -0.239 0.000 1.086 820 A CA 0.000 51.606 52.037 -0.719 0.000 0.763 820 A CB -0.079 18.677 19.000 -0.407 0.000 1.024 820 A HN 0.623 nan 8.150 nan 0.000 0.502 821 A N 3.050 125.729 122.820 -0.234 0.000 2.303 821 A HA 0.590 4.924 4.320 0.024 0.000 0.320 821 A C -0.344 177.191 177.584 -0.082 0.000 1.192 821 A CA -0.566 51.419 52.037 -0.086 0.000 0.821 821 A CB 0.515 19.479 19.000 -0.061 0.000 1.188 821 A HN 1.214 nan 8.150 nan 0.000 0.492 822 L N 2.852 124.022 121.223 -0.088 0.000 2.380 822 L HA 0.373 4.727 4.340 0.024 0.000 0.273 822 L C 0.454 177.212 176.870 -0.186 0.000 1.138 822 L CA 0.308 55.002 54.840 -0.244 0.000 0.832 822 L CB 0.521 42.444 42.059 -0.227 0.000 1.124 822 L HN 0.778 nan 8.230 nan 0.000 0.454 823 L N 2.593 123.681 121.223 -0.224 0.000 2.547 823 L HA 0.350 4.704 4.340 0.024 0.000 0.218 823 L C 0.382 177.188 176.870 -0.108 0.000 1.048 823 L CA 0.027 54.797 54.840 -0.118 0.000 0.859 823 L CB 0.072 42.090 42.059 -0.069 0.000 1.128 823 L HN 0.654 nan 8.230 nan 0.000 0.483 824 Q N -0.177 119.528 119.800 -0.158 0.000 2.386 824 Q HA 0.283 4.638 4.340 0.024 0.000 0.274 824 Q C -2.135 173.810 176.000 -0.092 0.000 1.011 824 Q CA -0.353 55.395 55.803 -0.091 0.000 0.867 824 Q CB 3.272 31.980 28.738 -0.050 0.000 1.409 824 Q HN 0.102 nan 8.270 nan 0.000 0.395 825 C N 3.385 122.678 119.300 -0.011 0.000 2.781 825 C HA 0.715 5.190 4.460 0.024 0.000 0.348 825 C C -0.528 174.582 174.990 0.200 0.000 1.051 825 C CA 0.270 59.332 59.018 0.073 0.000 1.347 825 C CB 0.226 28.015 27.740 0.082 0.000 1.846 825 C HN 0.810 nan 8.230 nan 0.000 0.473 826 T N 2.291 116.888 114.554 0.072 0.000 2.926 826 T HA 0.922 5.287 4.350 0.024 0.000 0.289 826 T C -0.416 174.046 174.700 -0.395 0.000 1.054 826 T CA -0.349 61.730 62.100 -0.034 0.000 1.015 826 T CB 1.988 70.820 68.868 -0.060 0.000 1.167 826 T HN 1.611 nan 8.240 nan 0.000 0.526 827 A N 1.109 123.511 122.820 -0.698 0.000 2.422 827 A HA 0.748 5.083 4.320 0.024 0.000 0.302 827 A C -1.308 175.997 177.584 -0.465 0.000 1.041 827 A CA -0.748 50.791 52.037 -0.830 0.000 0.708 827 A CB 1.369 19.477 19.000 -1.487 0.000 1.257 827 A HN 0.874 nan 8.150 nan 0.000 0.414 828 D N 0.987 121.184 120.400 -0.338 0.000 2.645 828 D HA 0.564 5.219 4.640 0.024 0.000 0.228 828 D C -0.794 175.389 176.300 -0.195 0.000 1.148 828 D CA 0.005 53.873 54.000 -0.219 0.000 0.860 828 D CB 2.412 43.117 40.800 -0.158 0.000 1.548 828 D HN 0.621 nan 8.370 nan 0.000 0.460 829 T N -0.363 114.102 114.554 -0.149 0.000 2.795 829 T HA 0.696 5.061 4.350 0.024 0.000 0.282 829 T C 0.367 175.012 174.700 -0.092 0.000 0.980 829 T CA -0.682 61.343 62.100 -0.126 0.000 1.012 829 T CB 1.109 69.909 68.868 -0.113 0.000 0.936 829 T HN 0.186 nan 8.240 nan 0.000 0.457 830 L N 1.605 122.780 121.223 -0.081 0.000 2.299 830 L HA 0.671 5.026 4.340 0.024 0.000 0.268 830 L C 2.110 178.953 176.870 -0.045 0.000 1.012 830 L CA -1.518 53.286 54.840 -0.060 0.000 0.816 830 L CB 0.450 42.474 42.059 -0.058 0.000 1.355 830 L HN 0.768 nan 8.230 nan 0.000 0.457 831 A N 0.693 123.493 122.820 -0.033 0.000 1.903 831 A HA -0.220 4.115 4.320 0.024 0.000 0.219 831 A C 1.164 178.737 177.584 -0.019 0.000 1.191 831 A CA 2.423 54.447 52.037 -0.022 0.000 0.638 831 A CB -0.600 18.391 19.000 -0.015 0.000 0.823 831 A HN 0.916 nan 8.150 nan 0.000 0.451 832 D N -2.615 117.771 120.400 -0.024 0.000 2.599 832 D HA 0.570 5.225 4.640 0.024 0.000 0.249 832 D C -0.027 176.251 176.300 -0.036 0.000 1.313 832 D CA 0.643 54.629 54.000 -0.022 0.000 0.815 832 D CB -0.215 40.573 40.800 -0.020 0.000 1.077 832 D HN 0.577 nan 8.370 nan 0.000 0.492 833 A N -0.683 122.106 122.820 -0.051 0.000 2.564 833 A HA 0.629 4.964 4.320 0.024 0.000 0.291 833 A C -1.745 175.780 177.584 -0.099 0.000 1.102 833 A CA -0.687 51.304 52.037 -0.075 0.000 0.660 833 A CB 1.442 20.398 19.000 -0.074 0.000 1.283 833 A HN 0.006 nan 8.150 nan 0.000 0.430 834 V N 0.384 120.217 119.914 -0.135 0.000 2.628 834 V HA 0.689 4.824 4.120 0.024 0.000 0.306 834 V C -1.005 174.976 176.094 -0.188 0.000 1.045 834 V CA -0.497 61.703 62.300 -0.167 0.000 0.905 834 V CB 1.567 33.283 31.823 -0.179 0.000 0.997 834 V HN 0.936 nan 8.190 nan 0.000 0.436 835 L N 5.722 126.821 121.223 -0.205 0.000 2.349 835 L HA 0.645 5.000 4.340 0.024 0.000 0.278 835 L C -0.963 175.745 176.870 -0.270 0.000 0.996 835 L CA 0.004 54.728 54.840 -0.194 0.000 0.825 835 L CB 1.297 43.271 42.059 -0.141 0.000 1.243 835 L HN 0.403 nan 8.230 nan 0.000 0.412 836 I N 4.117 124.511 120.570 -0.292 0.000 2.377 836 I HA 0.425 4.610 4.170 0.024 0.000 0.293 836 I C 0.055 176.103 176.117 -0.115 0.000 0.987 836 I CA -0.198 60.878 61.300 -0.373 0.000 1.185 836 I CB 1.503 39.016 38.000 -0.811 0.000 1.341 836 I HN 0.582 nan 8.210 nan 0.000 0.455 837 T N 5.041 119.540 114.554 -0.091 0.000 2.807 837 T HA 0.659 5.024 4.350 0.024 0.000 0.279 837 T C 0.140 174.867 174.700 0.045 0.000 0.993 837 T CA -0.514 61.586 62.100 -0.000 0.000 0.970 837 T CB 1.737 70.584 68.868 -0.035 0.000 0.950 837 T HN 0.771 nan 8.240 nan 0.000 0.441 838 T N -0.574 114.043 114.554 0.105 0.000 2.896 838 T HA 0.863 5.228 4.350 0.024 0.000 0.297 838 T C -1.163 173.563 174.700 0.043 0.000 1.108 838 T CA -1.068 61.074 62.100 0.070 0.000 1.004 838 T CB 1.988 70.974 68.868 0.196 0.000 1.159 838 T HN 0.760 nan 8.240 nan 0.000 0.499 839 A N 1.534 124.291 122.820 -0.106 0.000 2.427 839 A HA 0.781 5.116 4.320 0.024 0.000 0.298 839 A C -1.413 176.033 177.584 -0.229 0.000 1.036 839 A CA -0.772 51.249 52.037 -0.027 0.000 0.701 839 A CB 0.896 19.898 19.000 0.003 0.000 1.250 839 A HN 0.998 nan 8.150 nan 0.000 0.412 840 H N 0.035 119.159 119.070 0.090 0.000 2.821 840 H HA 0.779 5.350 4.556 0.024 0.000 0.373 840 H C -0.026 175.333 175.328 0.052 0.000 1.165 840 H CA 0.283 56.308 56.048 -0.038 0.000 1.154 840 H CB 2.147 31.796 29.762 -0.189 0.000 1.765 840 H HN 0.989 nan 8.280 nan 0.000 0.549 841 A N 1.825 124.673 122.820 0.047 0.000 2.365 841 A HA 0.474 4.809 4.320 0.024 0.000 0.318 841 A C -1.370 176.231 177.584 0.028 0.000 1.091 841 A CA -0.702 51.435 52.037 0.167 0.000 0.763 841 A CB 1.234 20.292 19.000 0.097 0.000 1.248 841 A HN 0.597 nan 8.150 nan 0.000 0.442 842 W N 1.688 123.097 121.300 0.182 0.000 2.417 842 W HA 0.454 5.129 4.660 0.025 0.000 0.315 842 W C -0.524 176.015 176.519 0.034 0.000 1.045 842 W CA -0.137 57.311 57.345 0.172 0.000 1.221 842 W CB 1.833 31.455 29.460 0.270 0.000 1.309 842 W HN 0.796 nan 8.180 nan 0.000 0.453 843 Q N 1.794 121.734 119.800 0.233 0.000 2.451 843 Q HA 0.459 4.814 4.340 0.024 0.000 0.281 843 Q C -0.948 175.185 176.000 0.222 0.000 1.099 843 Q CA -0.905 54.991 55.803 0.155 0.000 0.806 843 Q CB 3.656 32.446 28.738 0.086 0.000 1.419 843 Q HN 0.377 nan 8.270 nan 0.000 0.427 844 H N 1.433 120.539 119.070 0.061 0.000 3.042 844 H HA 0.069 4.640 4.556 0.024 0.000 0.345 844 H C -0.879 174.480 175.328 0.052 0.000 1.052 844 H CA -0.227 55.865 56.048 0.074 0.000 1.311 844 H CB 1.274 31.094 29.762 0.097 0.000 1.810 844 H HN 0.629 nan 8.280 nan 0.000 0.505 845 Q N 2.913 122.436 119.800 -0.462 0.000 2.411 845 Q HA -0.181 4.174 4.340 0.024 0.000 0.305 845 Q C 1.103 177.042 176.000 -0.102 0.000 1.273 845 Q CA 1.594 57.219 55.803 -0.297 0.000 0.895 845 Q CB -1.926 26.643 28.738 -0.282 0.000 1.198 845 Q HN 1.170 nan 8.270 nan 0.000 0.470 846 G N -1.260 107.507 108.800 -0.055 0.000 2.162 846 G HA2 -0.371 3.604 3.960 0.024 0.000 0.260 846 G HA3 -0.371 3.604 3.960 0.024 0.000 0.260 846 G C 0.082 174.987 174.900 0.008 0.000 0.976 846 G CA 0.628 45.719 45.100 -0.014 0.000 0.655 846 G HN 0.430 nan 8.290 nan 0.000 0.533 847 K N 0.779 121.193 120.400 0.023 0.000 2.164 847 K HA 0.537 4.871 4.320 0.024 0.000 0.258 847 K C -0.378 176.237 176.600 0.025 0.000 0.951 847 K CA -0.360 55.944 56.287 0.028 0.000 0.844 847 K CB 0.904 33.429 32.500 0.043 0.000 1.099 847 K HN 0.009 nan 8.250 nan 0.000 0.435 848 T N 5.328 119.888 114.554 0.010 0.000 2.737 848 T HA 0.192 4.556 4.350 0.024 0.000 0.296 848 T C 1.413 176.058 174.700 -0.092 0.000 0.922 848 T CA -0.254 61.848 62.100 0.003 0.000 1.079 848 T CB 0.465 69.351 68.868 0.031 0.000 0.892 848 T HN 0.505 nan 8.240 nan 0.000 0.514 849 L N 2.297 123.374 121.223 -0.243 0.000 2.145 849 L HA 0.321 4.675 4.340 0.024 0.000 0.201 849 L C -0.204 176.148 176.870 -0.862 0.000 1.075 849 L CA 0.827 55.261 54.840 -0.676 0.000 0.773 849 L CB 0.075 41.321 42.059 -1.355 0.000 0.936 849 L HN 0.503 nan 8.230 nan 0.000 0.451 850 F N -0.964 118.937 119.950 -0.081 0.000 2.599 850 F HA 0.574 5.115 4.527 0.024 0.000 0.311 850 F C -0.436 175.457 175.800 0.154 0.000 1.076 850 F CA -0.952 56.925 58.000 -0.204 0.000 0.937 850 F CB 1.590 40.017 39.000 -0.955 0.000 1.282 850 F HN -0.311 nan 8.300 nan 0.000 0.460 851 I N 1.425 122.212 120.570 0.363 0.000 2.498 851 I HA 0.442 4.627 4.170 0.024 0.000 0.290 851 I C -0.782 175.607 176.117 0.454 0.000 1.032 851 I CA -0.560 60.987 61.300 0.412 0.000 1.073 851 I CB 2.231 40.380 38.000 0.249 0.000 1.251 851 I HN 0.595 nan 8.210 nan 0.000 0.426 852 S N 6.822 122.886 115.700 0.606 0.000 2.478 852 S HA 0.607 5.092 4.470 0.024 0.000 0.312 852 S C -0.747 174.085 174.600 0.388 0.000 1.094 852 S CA -0.685 57.828 58.200 0.521 0.000 1.081 852 S CB 0.933 64.565 63.200 0.720 0.000 1.007 852 S HN 0.570 nan 8.310 nan 0.000 0.475 853 R N 3.216 123.867 120.500 0.251 0.000 2.494 853 R HA 0.600 4.955 4.340 0.024 0.000 0.305 853 R C -0.781 175.582 176.300 0.104 0.000 0.959 853 R CA -0.796 55.406 56.100 0.170 0.000 0.864 853 R CB 1.888 32.262 30.300 0.123 0.000 1.159 853 R HN 0.591 nan 8.270 nan 0.000 0.446 854 K N 0.675 121.124 120.400 0.081 0.000 2.509 854 K HA 0.447 4.781 4.320 0.024 0.000 0.266 854 K C -0.903 175.661 176.600 -0.061 0.000 0.987 854 K CA -0.914 55.343 56.287 -0.049 0.000 0.868 854 K CB 2.585 35.022 32.500 -0.104 0.000 1.421 854 K HN 0.650 nan 8.250 nan 0.000 0.444 855 T N -1.526 112.924 114.554 -0.173 0.000 2.893 855 T HA 0.575 4.940 4.350 0.024 0.000 0.291 855 T C -1.236 173.323 174.700 -0.235 0.000 1.028 855 T CA -0.734 61.303 62.100 -0.105 0.000 0.995 855 T CB 0.609 69.442 68.868 -0.058 0.000 1.051 855 T HN 0.402 nan 8.240 nan 0.000 0.470 856 Y N 0.691 120.938 120.300 -0.090 0.000 2.331 856 Y HA 0.610 5.174 4.550 0.024 0.000 0.334 856 Y C 0.441 176.254 175.900 -0.146 0.000 0.960 856 Y CA -1.024 57.036 58.100 -0.066 0.000 1.130 856 Y CB 1.934 40.351 38.460 -0.071 0.000 1.164 856 Y HN 0.646 nan 8.280 nan 0.000 0.458 857 R N 4.648 125.154 120.500 0.010 0.000 2.360 857 R HA 0.641 4.995 4.340 0.024 0.000 0.318 857 R C -1.638 174.599 176.300 -0.105 0.000 0.950 857 R CA -0.452 55.611 56.100 -0.061 0.000 0.837 857 R CB 0.648 30.923 30.300 -0.042 0.000 1.165 857 R HN 0.778 nan 8.270 nan 0.000 0.458 858 I N 5.149 125.600 120.570 -0.198 0.000 2.339 858 I HA 0.212 4.397 4.170 0.024 0.000 0.290 858 I C -0.218 175.773 176.117 -0.209 0.000 0.994 858 I CA -0.678 60.434 61.300 -0.314 0.000 1.191 858 I CB 1.477 39.094 38.000 -0.638 0.000 1.343 858 I HN 0.689 nan 8.210 nan 0.000 0.458 859 D N 4.272 124.588 120.400 -0.139 0.000 2.592 859 D HA 0.265 4.919 4.640 0.024 0.000 0.259 859 D C 1.256 177.531 176.300 -0.041 0.000 1.144 859 D CA -0.724 53.230 54.000 -0.078 0.000 1.080 859 D CB 0.667 41.439 40.800 -0.046 0.000 1.225 859 D HN 0.458 nan 8.370 nan 0.000 0.619 860 G N -1.009 107.777 108.800 -0.023 0.000 2.479 860 G HA2 -0.224 3.750 3.960 0.024 0.000 0.220 860 G HA3 -0.224 3.750 3.960 0.024 0.000 0.220 860 G C 1.229 176.128 174.900 -0.002 0.000 1.115 860 G CA 1.289 46.387 45.100 -0.004 0.000 0.757 860 G HN 0.573 nan 8.290 nan 0.000 0.560 861 S N -0.858 114.836 115.700 -0.010 0.000 2.603 861 S HA 0.363 4.848 4.470 0.024 0.000 0.220 861 S C 1.894 176.533 174.600 0.065 0.000 0.967 861 S CA 0.921 59.123 58.200 0.004 0.000 0.920 861 S CB -0.040 63.158 63.200 -0.003 0.000 0.773 861 S HN 1.497 nan 8.310 nan 0.000 0.529 862 G N 0.181 109.035 108.800 0.091 0.000 2.176 862 G HA2 -0.292 3.683 3.960 0.024 0.000 0.253 862 G HA3 -0.292 3.683 3.960 0.024 0.000 0.253 862 G C -0.100 174.922 174.900 0.202 0.000 0.979 862 G CA 0.260 45.487 45.100 0.212 0.000 0.641 862 G HN 0.659 nan 8.290 nan 0.000 0.530 863 Q N -0.176 119.684 119.800 0.100 0.000 2.293 863 Q HA 0.699 5.053 4.340 0.024 0.000 0.251 863 Q C 0.358 176.385 176.000 0.046 0.000 0.930 863 Q CA -0.329 55.541 55.803 0.112 0.000 0.893 863 Q CB 0.733 29.516 28.738 0.076 0.000 1.215 863 Q HN 0.454 nan 8.270 nan 0.000 0.425 864 M N 2.843 122.511 119.600 0.115 0.000 2.114 864 M HA 0.579 5.073 4.480 0.024 0.000 0.332 864 M C -1.447 174.940 176.300 0.146 0.000 1.014 864 M CA -0.545 54.779 55.300 0.041 0.000 0.956 864 M CB 1.035 33.681 32.600 0.078 0.000 1.551 864 M HN 0.681 nan 8.290 nan 0.000 0.427 865 A N 6.969 129.840 122.820 0.084 0.000 2.276 865 A HA 0.664 4.998 4.320 0.024 0.000 0.300 865 A C -0.715 176.902 177.584 0.054 0.000 1.235 865 A CA -0.602 51.487 52.037 0.088 0.000 0.867 865 A CB 0.114 19.144 19.000 0.050 0.000 1.137 865 A HN 0.921 nan 8.150 nan 0.000 0.527 866 I N 2.617 123.211 120.570 0.041 0.000 2.362 866 I HA 0.318 4.503 4.170 0.024 0.000 0.289 866 I C -0.196 175.817 176.117 -0.173 0.000 0.994 866 I CA -0.217 61.011 61.300 -0.119 0.000 1.158 866 I CB 1.978 39.945 38.000 -0.056 0.000 1.315 866 I HN 0.501 nan 8.210 nan 0.000 0.451 867 T N 5.707 120.117 114.554 -0.240 0.000 2.797 867 T HA 0.562 4.926 4.350 0.024 0.000 0.279 867 T C -0.275 174.217 174.700 -0.347 0.000 0.991 867 T CA -0.494 61.458 62.100 -0.247 0.000 0.979 867 T CB 2.128 70.946 68.868 -0.082 0.000 0.943 867 T HN 0.220 nan 8.240 nan 0.000 0.444 868 V N 3.397 122.979 119.914 -0.553 0.000 2.531 868 V HA 0.480 4.614 4.120 0.024 0.000 0.301 868 V C -0.775 175.146 176.094 -0.289 0.000 1.034 868 V CA -0.884 61.115 62.300 -0.503 0.000 0.865 868 V CB 2.002 33.253 31.823 -0.953 0.000 0.995 868 V HN 0.857 nan 8.190 nan 0.000 0.424 869 D N 3.327 123.719 120.400 -0.012 0.000 2.549 869 D HA 0.531 5.186 4.640 0.024 0.000 0.251 869 D C -0.993 175.427 176.300 0.200 0.000 1.153 869 D CA -0.085 54.002 54.000 0.146 0.000 0.861 869 D CB 2.739 43.645 40.800 0.178 0.000 1.207 869 D HN 0.255 nan 8.370 nan 0.000 0.543 870 V N 2.344 122.418 119.914 0.268 0.000 2.667 870 V HA 0.322 4.457 4.120 0.024 0.000 0.308 870 V C 0.036 176.279 176.094 0.248 0.000 1.048 870 V CA -0.678 61.797 62.300 0.291 0.000 0.928 870 V CB 2.462 34.503 31.823 0.363 0.000 1.004 870 V HN 0.365 nan 8.190 nan 0.000 0.444 871 E N 2.263 122.594 120.200 0.218 0.000 2.183 871 E HA 0.627 4.992 4.350 0.024 0.000 0.271 871 E C -1.581 175.131 176.600 0.185 0.000 0.919 871 E CA -0.610 55.895 56.400 0.175 0.000 0.781 871 E CB 2.563 32.346 29.700 0.140 0.000 1.140 871 E HN 0.390 nan 8.360 nan 0.000 0.402 872 V N 2.142 122.167 119.914 0.185 0.000 2.444 872 V HA 0.373 4.507 4.120 0.024 0.000 0.294 872 V C 0.141 176.320 176.094 0.140 0.000 1.022 872 V CA -0.934 61.492 62.300 0.210 0.000 0.850 872 V CB 1.390 33.375 31.823 0.270 0.000 0.992 872 V HN 0.845 nan 8.190 nan 0.000 0.426 873 A N 3.605 126.464 122.820 0.065 0.000 2.565 873 A HA 0.268 4.602 4.320 0.024 0.000 0.237 873 A C 1.628 179.275 177.584 0.106 0.000 1.053 873 A CA 0.632 52.702 52.037 0.055 0.000 0.755 873 A CB 0.238 19.237 19.000 -0.002 0.000 0.980 873 A HN 1.355 nan 8.150 nan 0.000 0.506 874 S N 0.939 116.698 115.700 0.098 0.000 2.423 874 S HA -0.144 4.341 4.470 0.024 0.000 0.231 874 S C 0.824 175.502 174.600 0.130 0.000 1.014 874 S CA 1.262 59.540 58.200 0.131 0.000 0.965 874 S CB -0.291 62.967 63.200 0.096 0.000 0.785 874 S HN 0.815 nan 8.310 nan 0.000 0.495 875 D N 0.506 120.957 120.400 0.085 0.000 2.328 875 D HA 0.136 4.790 4.640 0.024 0.000 0.221 875 D C 0.514 176.851 176.300 0.062 0.000 1.072 875 D CA 0.032 54.069 54.000 0.060 0.000 0.850 875 D CB -0.417 40.404 40.800 0.036 0.000 0.922 875 D HN 0.319 nan 8.370 nan 0.000 0.516 876 T N 1.665 116.282 114.554 0.105 0.000 2.922 876 T HA 0.360 4.725 4.350 0.024 0.000 0.285 876 T C -2.571 172.239 174.700 0.183 0.000 1.005 876 T CA -1.914 60.271 62.100 0.141 0.000 1.061 876 T CB 1.190 70.151 68.868 0.155 0.000 1.007 876 T HN -0.141 nan 8.240 nan 0.000 0.502 877 P HA 0.072 nan 4.420 nan 0.000 0.266 877 P C -0.589 177.017 177.300 0.509 0.000 1.195 877 P CA 0.100 63.300 63.100 0.168 0.000 0.768 877 P CB -0.041 31.737 31.700 0.131 0.000 0.838 878 H N 3.567 122.990 119.070 0.587 0.000 3.001 878 H HA 0.076 4.646 4.556 0.024 0.000 0.334 878 H C -1.579 174.091 175.328 0.569 0.000 1.034 878 H CA -1.347 54.990 56.048 0.481 0.000 1.420 878 H CB -0.437 29.548 29.762 0.372 0.000 1.405 878 H HN 0.384 nan 8.280 nan 0.000 0.593 879 P HA 0.015 nan 4.420 nan 0.000 0.274 879 P C 0.116 177.289 177.300 -0.212 0.000 1.237 879 P CA -0.302 62.853 63.100 0.091 0.000 0.793 879 P CB 1.001 32.600 31.700 -0.169 0.000 0.977 880 A N 2.738 125.136 122.820 -0.704 0.000 2.015 880 A HA -0.084 4.251 4.320 0.024 0.000 0.219 880 A C 1.016 178.189 177.584 -0.685 0.000 1.163 880 A CA 1.300 52.892 52.037 -0.741 0.000 0.646 880 A CB -0.531 17.817 19.000 -1.086 0.000 0.806 880 A HN 0.742 nan 8.150 nan 0.000 0.448 881 R N -3.066 117.075 120.500 -0.598 0.000 2.741 881 R HA 0.741 5.096 4.340 0.024 0.000 0.274 881 R C -1.656 174.394 176.300 -0.418 0.000 1.029 881 R CA -0.844 54.928 56.100 -0.546 0.000 0.880 881 R CB 0.808 30.754 30.300 -0.590 0.000 1.264 881 R HN -0.010 nan 8.270 nan 0.000 0.465 882 I N 0.836 121.194 120.570 -0.354 0.000 2.560 882 I HA 0.595 4.779 4.170 0.024 0.000 0.278 882 I C -0.589 175.290 176.117 -0.397 0.000 1.089 882 I CA -0.349 60.765 61.300 -0.311 0.000 1.086 882 I CB 1.872 39.766 38.000 -0.176 0.000 1.202 882 I HN 0.957 nan 8.210 nan 0.000 0.471 883 G N 5.742 114.247 108.800 -0.491 0.000 2.731 883 G HA2 0.783 4.758 3.960 0.024 0.000 0.309 883 G HA3 0.783 4.758 3.960 0.024 0.000 0.309 883 G C -1.705 173.023 174.900 -0.287 0.000 1.273 883 G CA -0.548 44.308 45.100 -0.407 0.000 0.798 883 G HN 0.257 nan 8.290 nan 0.000 0.509 884 L N 0.786 121.893 121.223 -0.194 0.000 2.333 884 L HA 0.638 4.992 4.340 0.024 0.000 0.263 884 L C -0.817 175.952 176.870 -0.167 0.000 1.014 884 L CA -1.142 53.617 54.840 -0.135 0.000 0.820 884 L CB 2.546 44.601 42.059 -0.007 0.000 1.352 884 L HN 0.804 nan 8.230 nan 0.000 0.421 885 N N 0.561 119.189 118.700 -0.120 0.000 2.494 885 N HA 0.679 5.433 4.740 0.024 0.000 0.270 885 N C -1.291 174.220 175.510 0.002 0.000 1.285 885 N CA -0.566 52.443 53.050 -0.069 0.000 0.812 885 N CB 2.302 40.766 38.487 -0.039 0.000 1.557 885 N HN 0.817 nan 8.380 nan 0.000 0.487 886 C N -1.221 118.097 119.300 0.029 0.000 3.311 886 C HA 0.595 5.070 4.460 0.024 0.000 0.325 886 C C -1.044 173.806 174.990 -0.233 0.000 1.352 886 C CA -0.835 58.165 59.018 -0.029 0.000 1.308 886 C CB 1.065 28.809 27.740 0.006 0.000 1.619 886 C HN 0.846 nan 8.230 nan 0.000 0.469 887 Q N 1.550 120.995 119.800 -0.592 0.000 2.400 887 Q HA 0.617 4.971 4.340 0.024 0.000 0.255 887 Q C -0.914 174.784 176.000 -0.504 0.000 1.008 887 Q CA -0.405 54.762 55.803 -1.060 0.000 0.841 887 Q CB 0.783 28.505 28.738 -1.693 0.000 1.220 887 Q HN 0.780 nan 8.270 nan 0.000 0.474 888 L N 2.413 123.441 121.223 -0.326 0.000 2.439 888 L HA 0.178 4.532 4.340 0.024 0.000 0.269 888 L C 1.173 177.973 176.870 -0.115 0.000 1.179 888 L CA -0.061 54.716 54.840 -0.105 0.000 0.828 888 L CB 0.688 42.783 42.059 0.060 0.000 1.106 888 L HN 0.808 nan 8.230 nan 0.000 0.467 889 A N 1.914 124.701 122.820 -0.056 0.000 2.016 889 A HA 0.014 4.349 4.320 0.024 0.000 0.217 889 A C 0.872 178.441 177.584 -0.025 0.000 1.162 889 A CA 0.688 52.681 52.037 -0.073 0.000 0.662 889 A CB -0.025 18.925 19.000 -0.084 0.000 0.812 889 A HN 0.753 nan 8.150 nan 0.000 0.450 890 Q N -1.459 118.364 119.800 0.038 0.000 2.241 890 Q HA 0.626 4.981 4.340 0.024 0.000 0.262 890 Q C -0.909 175.141 176.000 0.083 0.000 1.014 890 Q CA -0.360 55.463 55.803 0.033 0.000 0.885 890 Q CB 2.117 30.869 28.738 0.023 0.000 1.311 890 Q HN 0.084 nan 8.270 nan 0.000 0.461 891 V N 0.600 120.535 119.914 0.035 0.000 2.555 891 V HA 0.898 5.032 4.120 0.024 0.000 0.302 891 V C -0.773 175.295 176.094 -0.043 0.000 1.038 891 V CA -0.687 61.661 62.300 0.079 0.000 0.887 891 V CB 1.510 33.360 31.823 0.045 0.000 0.991 891 V HN 0.821 nan 8.190 nan 0.000 0.434 892 A N 2.561 125.304 122.820 -0.127 0.000 2.423 892 A HA 0.702 5.037 4.320 0.024 0.000 0.304 892 A C 0.647 178.210 177.584 -0.035 0.000 1.104 892 A CA -0.488 51.385 52.037 -0.273 0.000 0.757 892 A CB 1.340 19.892 19.000 -0.747 0.000 1.313 892 A HN 0.772 nan 8.150 nan 0.000 0.423 893 E N 0.371 120.556 120.200 -0.026 0.000 2.072 893 E HA -0.067 4.298 4.350 0.024 0.000 0.191 893 E C 0.134 176.793 176.600 0.098 0.000 0.985 893 E CA 0.903 57.326 56.400 0.038 0.000 0.801 893 E CB 0.074 29.783 29.700 0.017 0.000 0.750 893 E HN 0.464 nan 8.360 nan 0.000 0.452 894 R N 0.132 120.693 120.500 0.102 0.000 2.873 894 R HA 0.560 4.915 4.340 0.024 0.000 0.264 894 R C -0.446 176.028 176.300 0.290 0.000 1.026 894 R CA -0.903 55.300 56.100 0.171 0.000 1.002 894 R CB 1.701 32.076 30.300 0.125 0.000 1.174 894 R HN -0.177 nan 8.270 nan 0.000 0.488 895 V N 1.865 121.972 119.914 0.321 0.000 2.531 895 V HA 0.364 4.499 4.120 0.024 0.000 0.301 895 V C -0.354 176.014 176.094 0.457 0.000 1.034 895 V CA -0.901 61.634 62.300 0.391 0.000 0.865 895 V CB 1.879 33.878 31.823 0.293 0.000 0.995 895 V HN 0.658 nan 8.190 nan 0.000 0.424 896 N N 4.614 123.559 118.700 0.409 0.000 2.346 896 N HA 0.534 5.289 4.740 0.024 0.000 0.289 896 N C -1.385 174.380 175.510 0.426 0.000 1.027 896 N CA -0.432 52.835 53.050 0.362 0.000 0.864 896 N CB 2.688 41.280 38.487 0.175 0.000 1.370 896 N HN 0.807 nan 8.380 nan 0.000 0.481 897 W N 3.054 124.387 121.300 0.054 0.000 3.118 897 W HA 0.599 5.273 4.660 0.024 0.000 0.328 897 W C -1.979 174.495 176.519 -0.076 0.000 1.239 897 W CA -1.129 56.217 57.345 0.002 0.000 1.176 897 W CB 0.775 30.250 29.460 0.025 0.000 1.433 897 W HN 0.225 nan 8.180 nan 0.000 0.562 898 L N 3.854 125.035 121.223 -0.070 0.000 2.301 898 L HA 0.906 5.260 4.340 0.024 0.000 0.278 898 L C -0.026 176.622 176.870 -0.369 0.000 1.022 898 L CA 0.319 54.913 54.840 -0.411 0.000 0.854 898 L CB 0.614 42.520 42.059 -0.256 0.000 1.226 898 L HN 0.980 nan 8.230 nan 0.000 0.429 899 G N 3.735 112.168 108.800 -0.612 0.000 2.335 899 G HA2 0.232 4.206 3.960 0.024 0.000 0.291 899 G HA3 0.232 4.206 3.960 0.024 0.000 0.291 899 G C -1.684 173.240 174.900 0.040 0.000 1.261 899 G CA -1.020 43.995 45.100 -0.142 0.000 0.871 899 G HN 0.421 nan 8.290 nan 0.000 0.491 900 L N 0.955 122.364 121.223 0.311 0.000 2.349 900 L HA 0.663 5.018 4.340 0.024 0.000 0.275 900 L C 1.040 178.049 176.870 0.231 0.000 1.115 900 L CA 0.577 55.569 54.840 0.253 0.000 0.820 900 L CB 0.774 42.925 42.059 0.153 0.000 1.135 900 L HN 1.211 nan 8.230 nan 0.000 0.445 901 G N 2.572 111.297 108.800 -0.124 0.000 2.348 901 G HA2 0.206 4.180 3.960 0.024 0.000 0.296 901 G HA3 0.206 4.180 3.960 0.024 0.000 0.296 901 G C -2.744 171.355 174.900 -1.335 0.000 1.258 901 G CA -0.239 44.479 45.100 -0.637 0.000 0.868 901 G HN 0.315 nan 8.290 nan 0.000 0.488 902 P HA 0.086 nan 4.420 nan 0.000 0.230 902 P C 0.501 177.624 177.300 -0.294 0.000 1.168 902 P CA 0.639 63.111 63.100 -1.046 0.000 0.793 902 P CB 0.451 31.657 31.700 -0.822 0.000 0.851 903 Q N 0.538 120.153 119.800 -0.310 0.000 2.317 903 Q HA 0.131 4.486 4.340 0.024 0.000 0.229 903 Q C 0.371 176.273 176.000 -0.163 0.000 0.984 903 Q CA -0.564 55.135 55.803 -0.174 0.000 0.911 903 Q CB 0.678 29.327 28.738 -0.148 0.000 1.217 903 Q HN 0.136 nan 8.270 nan 0.000 0.501 904 E N 1.319 121.428 120.200 -0.151 0.000 2.568 904 E HA -0.140 4.224 4.350 0.024 0.000 0.262 904 E C -1.105 175.418 176.600 -0.130 0.000 0.961 904 E CA 0.372 56.670 56.400 -0.170 0.000 0.945 904 E CB 0.242 29.910 29.700 -0.052 0.000 0.924 904 E HN 0.584 nan 8.360 nan 0.000 0.467 905 N N 2.585 121.129 118.700 -0.260 0.000 2.405 905 N HA 0.342 5.097 4.740 0.024 0.000 0.274 905 N C -1.857 173.425 175.510 -0.380 0.000 1.170 905 N CA -0.680 52.273 53.050 -0.162 0.000 0.848 905 N CB 0.733 39.151 38.487 -0.115 0.000 1.629 905 N HN 0.258 nan 8.380 nan 0.000 0.481 906 Y N -0.356 119.858 120.300 -0.144 0.000 2.633 906 Y HA 0.509 5.074 4.550 0.024 0.000 0.339 906 Y C -1.671 174.156 175.900 -0.122 0.000 1.045 906 Y CA -2.031 55.968 58.100 -0.168 0.000 1.098 906 Y CB 1.992 40.347 38.460 -0.174 0.000 1.296 906 Y HN 0.443 nan 8.280 nan 0.000 0.494 907 P HA -0.165 nan 4.420 nan 0.000 0.216 907 P C 0.378 177.555 177.300 -0.206 0.000 1.150 907 P CA 2.111 65.242 63.100 0.052 0.000 0.843 907 P CB 0.198 32.043 31.700 0.240 0.000 0.787 908 D N -2.309 117.747 120.400 -0.573 0.000 2.340 908 D HA 0.001 4.656 4.640 0.024 0.000 0.217 908 D C 0.736 176.886 176.300 -0.250 0.000 1.081 908 D CA 0.122 53.598 54.000 -0.873 0.000 0.842 908 D CB -0.239 39.793 40.800 -1.281 0.000 0.934 908 D HN 0.115 nan 8.370 nan 0.000 0.511 909 R N 0.950 121.400 120.500 -0.082 0.000 2.627 909 R HA 0.190 4.545 4.340 0.024 0.000 0.251 909 R C -0.676 175.656 176.300 0.055 0.000 1.524 909 R CA -0.162 55.956 56.100 0.030 0.000 1.606 909 R CB 0.079 30.403 30.300 0.039 0.000 1.396 909 R HN 0.098 nan 8.270 nan 0.000 0.724 910 L N -1.740 119.523 121.223 0.066 0.000 3.410 910 L HA 0.343 4.697 4.340 0.024 0.000 0.309 910 L C 1.284 178.212 176.870 0.097 0.000 1.254 910 L CA 0.045 54.922 54.840 0.062 0.000 1.048 910 L CB 0.120 42.205 42.059 0.042 0.000 1.442 910 L HN 0.086 nan 8.230 nan 0.000 0.615 911 T N -2.551 112.086 114.554 0.139 0.000 2.821 911 T HA -0.020 4.344 4.350 0.024 0.000 0.267 911 T C 1.842 176.571 174.700 0.048 0.000 1.046 911 T CA 1.376 63.580 62.100 0.172 0.000 1.139 911 T CB -0.391 68.641 68.868 0.273 0.000 0.871 911 T HN 0.381 nan 8.240 nan 0.000 0.454 912 A N 1.966 124.816 122.820 0.050 0.000 2.015 912 A HA 0.572 4.907 4.320 0.024 0.000 0.219 912 A C 1.690 179.347 177.584 0.122 0.000 1.163 912 A CA 0.696 52.711 52.037 -0.038 0.000 0.646 912 A CB -1.146 17.985 19.000 0.218 0.000 0.806 912 A HN 0.890 nan 8.150 nan 0.000 0.448 913 A N -1.058 121.791 122.820 0.049 0.000 2.445 913 A HA 0.406 4.741 4.320 0.024 0.000 0.242 913 A C 0.119 177.738 177.584 0.058 0.000 1.075 913 A CA 0.037 52.073 52.037 -0.001 0.000 0.777 913 A CB -0.241 18.749 19.000 -0.018 0.000 1.013 913 A HN 0.497 nan 8.150 nan 0.000 0.493 914 C N 1.029 120.363 119.300 0.057 0.000 2.493 914 C HA 0.569 5.044 4.460 0.024 0.000 0.326 914 C C -0.077 175.048 174.990 0.225 0.000 1.200 914 C CA -0.466 58.649 59.018 0.161 0.000 1.739 914 C CB 0.767 28.624 27.740 0.194 0.000 2.300 914 C HN 0.788 nan 8.230 nan 0.000 0.500 915 F N 3.552 123.365 119.950 -0.229 0.000 2.420 915 F HA 0.520 5.061 4.527 0.024 0.000 0.352 915 F C 0.340 175.817 175.800 -0.539 0.000 1.108 915 F CA 1.060 58.775 58.000 -0.476 0.000 1.162 915 F CB 0.079 38.272 39.000 -1.345 0.000 1.118 915 F HN 0.644 nan 8.300 nan 0.000 0.510 916 D N 3.025 122.797 120.400 -1.047 0.000 3.213 916 D HA 0.161 4.816 4.640 0.024 0.000 0.357 916 D C -1.704 173.713 176.300 -1.473 0.000 1.446 916 D CA -0.690 52.598 54.000 -1.186 0.000 0.893 916 D CB 1.300 41.333 40.800 -1.279 0.000 1.466 916 D HN 0.501 nan 8.370 nan 0.000 0.541 917 R N 0.663 120.363 120.500 -1.333 0.000 2.265 917 R HA 0.555 4.910 4.340 0.024 0.000 0.328 917 R C -1.430 174.143 176.300 -1.212 0.000 0.969 917 R CA -0.296 55.168 56.100 -1.059 0.000 0.832 917 R CB 0.340 30.279 30.300 -0.601 0.000 1.139 917 R HN 0.290 nan 8.270 nan 0.000 0.457 918 W N 2.436 123.214 121.300 -0.870 0.000 2.647 918 W HA 0.438 5.113 4.660 0.024 0.000 0.353 918 W C -0.464 175.708 176.519 -0.579 0.000 1.080 918 W CA -0.633 56.177 57.345 -0.892 0.000 1.208 918 W CB 1.712 30.157 29.460 -1.692 0.000 1.396 918 W HN 0.397 nan 8.180 nan 0.000 0.573 919 D N 2.234 122.624 120.400 -0.016 0.000 2.763 919 D HA 0.434 5.089 4.640 0.024 0.000 0.235 919 D C -1.603 174.814 176.300 0.195 0.000 1.334 919 D CA -0.170 53.906 54.000 0.126 0.000 0.950 919 D CB 1.048 41.872 40.800 0.040 0.000 1.433 919 D HN 0.381 nan 8.370 nan 0.000 0.580 920 L N 3.150 124.559 121.223 0.311 0.000 2.327 920 L HA 0.582 4.936 4.340 0.024 0.000 0.258 920 L C -2.248 174.744 176.870 0.203 0.000 1.024 920 L CA -2.170 52.813 54.840 0.238 0.000 0.825 920 L CB 2.772 45.005 42.059 0.290 0.000 1.386 920 L HN 0.200 nan 8.230 nan 0.000 0.417 921 P HA 0.011 nan 4.420 nan 0.000 0.271 921 P C 0.551 177.931 177.300 0.134 0.000 1.218 921 P CA -0.344 62.829 63.100 0.121 0.000 0.780 921 P CB 0.990 32.740 31.700 0.083 0.000 0.901 922 L N 3.716 125.024 121.223 0.142 0.000 2.021 922 L HA -0.267 4.088 4.340 0.024 0.000 0.215 922 L C 2.387 179.306 176.870 0.082 0.000 1.074 922 L CA 2.838 57.752 54.840 0.123 0.000 0.760 922 L CB -1.637 40.504 42.059 0.136 0.000 0.889 922 L HN 0.489 nan 8.230 nan 0.000 0.433 923 S N -1.722 114.026 115.700 0.080 0.000 2.419 923 S HA -0.201 4.284 4.470 0.024 0.000 0.235 923 S C 1.633 176.308 174.600 0.126 0.000 1.019 923 S CA 1.204 59.466 58.200 0.104 0.000 0.982 923 S CB -0.857 62.401 63.200 0.098 0.000 0.789 923 S HN 0.541 nan 8.310 nan 0.000 0.490 924 D N 1.277 121.727 120.400 0.084 0.000 2.350 924 D HA 0.042 4.697 4.640 0.024 0.000 0.216 924 D C 1.242 177.555 176.300 0.021 0.000 0.968 924 D CA 0.683 54.712 54.000 0.049 0.000 0.894 924 D CB -0.176 40.657 40.800 0.055 0.000 0.909 924 D HN 0.410 nan 8.370 nan 0.000 0.520 925 M N -0.409 119.213 119.600 0.035 0.000 2.563 925 M HA 0.049 4.544 4.480 0.024 0.000 0.231 925 M C -0.011 176.301 176.300 0.019 0.000 1.136 925 M CA -0.016 55.260 55.300 -0.039 0.000 1.026 925 M CB -0.831 31.729 32.600 -0.067 0.000 1.597 925 M HN -0.048 nan 8.290 nan 0.000 0.495 926 Y N -0.225 120.044 120.300 -0.052 0.000 2.425 926 Y HA 0.508 5.073 4.550 0.025 0.000 0.344 926 Y C -0.846 175.034 175.900 -0.034 0.000 0.969 926 Y CA -1.061 57.034 58.100 -0.008 0.000 1.052 926 Y CB 1.372 39.882 38.460 0.084 0.000 1.215 926 Y HN -0.130 nan 8.280 nan 0.000 0.451 927 T N 8.813 122.940 114.554 -0.712 0.000 2.756 927 T HA 0.292 4.656 4.350 0.024 0.000 0.290 927 T C -2.688 171.337 174.700 -1.124 0.000 0.985 927 T CA -1.492 60.141 62.100 -0.778 0.000 0.955 927 T CB 1.082 69.574 68.868 -0.628 0.000 0.930 927 T HN 0.458 nan 8.240 nan 0.000 0.451 928 P HA 0.124 nan 4.420 nan 0.000 0.226 928 P C -0.709 176.578 177.300 -0.021 0.000 1.783 928 P CA -0.481 62.294 63.100 -0.542 0.000 0.980 928 P CB -0.599 30.931 31.700 -0.283 0.000 1.967 929 Y N -0.136 120.211 120.300 0.079 0.000 2.610 929 Y HA -0.096 4.468 4.550 0.024 0.000 0.332 929 Y C 2.266 178.290 175.900 0.206 0.000 1.201 929 Y CA 0.056 58.270 58.100 0.189 0.000 1.465 929 Y CB 0.177 38.635 38.460 -0.002 0.000 1.283 929 Y HN -0.070 nan 8.280 nan 0.000 0.563 930 V N 3.105 123.299 119.914 0.468 0.000 2.332 930 V HA -0.296 3.839 4.120 0.024 0.000 0.248 930 V C 0.670 176.952 176.094 0.313 0.000 1.055 930 V CA 1.417 63.949 62.300 0.387 0.000 1.038 930 V CB -0.618 31.459 31.823 0.424 0.000 0.651 930 V HN 0.613 nan 8.190 nan 0.000 0.450 931 F N 3.393 123.403 119.950 0.100 0.000 2.375 931 F HA 0.486 5.028 4.527 0.025 0.000 0.362 931 F C -2.375 173.434 175.800 0.015 0.000 1.129 931 F CA -3.539 54.452 58.000 -0.016 0.000 1.154 931 F CB 0.533 39.398 39.000 -0.224 0.000 1.205 931 F HN 0.015 nan 8.300 nan 0.000 0.513 932 P HA 0.277 nan 4.420 nan 0.000 0.271 932 P C -0.994 176.008 177.300 -0.496 0.000 1.218 932 P CA 0.035 62.912 63.100 -0.372 0.000 0.780 932 P CB 1.284 32.797 31.700 -0.313 0.000 0.901 933 S N -0.366 115.222 115.700 -0.185 0.000 2.724 933 S HA 0.423 4.907 4.470 0.024 0.000 0.278 933 S C -0.828 173.758 174.600 -0.023 0.000 1.190 933 S CA -0.944 57.180 58.200 -0.126 0.000 0.860 933 S CB 0.284 63.433 63.200 -0.085 0.000 1.206 933 S HN 0.337 nan 8.310 nan 0.000 0.507 934 E N 1.276 121.472 120.200 -0.007 0.000 2.502 934 E HA 0.373 4.738 4.350 0.024 0.000 0.261 934 E C -0.224 176.421 176.600 0.075 0.000 0.974 934 E CA 0.795 57.220 56.400 0.041 0.000 0.936 934 E CB -0.224 29.521 29.700 0.075 0.000 0.926 934 E HN 0.793 nan 8.360 nan 0.000 0.459 935 N N 1.561 120.348 118.700 0.146 0.000 2.961 935 N HA 0.474 5.228 4.740 0.024 0.000 0.245 935 N C 0.113 175.693 175.510 0.117 0.000 1.404 935 N CA -0.502 52.681 53.050 0.221 0.000 0.880 935 N CB 0.931 39.563 38.487 0.241 0.000 1.461 935 N HN 0.730 nan 8.380 nan 0.000 0.510 936 G N -1.245 107.590 108.800 0.059 0.000 2.162 936 G HA2 -0.256 3.719 3.960 0.024 0.000 0.260 936 G HA3 -0.256 3.719 3.960 0.024 0.000 0.260 936 G C -0.222 174.428 174.900 -0.415 0.000 0.976 936 G CA 0.391 45.398 45.100 -0.154 0.000 0.655 936 G HN 0.737 nan 8.290 nan 0.000 0.533 937 L N -0.023 120.887 121.223 -0.522 0.000 2.483 937 L HA 0.706 5.061 4.340 0.024 0.000 0.275 937 L C 0.639 176.943 176.870 -0.944 0.000 1.220 937 L CA 0.255 54.547 54.840 -0.913 0.000 0.833 937 L CB 0.547 41.761 42.059 -1.409 0.000 1.102 937 L HN 0.242 nan 8.230 nan 0.000 0.490 938 R N 2.158 122.019 120.500 -1.063 0.000 2.561 938 R HA 0.519 4.874 4.340 0.024 0.000 0.297 938 R C -0.939 175.042 176.300 -0.531 0.000 0.969 938 R CA -0.288 55.350 56.100 -0.770 0.000 0.879 938 R CB 1.462 31.224 30.300 -0.897 0.000 1.178 938 R HN 0.702 nan 8.270 nan 0.000 0.445 939 C N 0.069 119.200 119.300 -0.281 0.000 2.547 939 C HA 0.717 5.192 4.460 0.024 0.000 0.411 939 C C 1.249 176.238 174.990 -0.001 0.000 1.424 939 C CA 0.015 58.943 59.018 -0.151 0.000 1.848 939 C CB 1.314 28.984 27.740 -0.116 0.000 2.062 939 C HN 1.019 nan 8.230 nan 0.000 0.504 940 G N 1.664 110.473 108.800 0.014 0.000 2.341 940 G HA2 -0.187 3.787 3.960 0.024 0.000 0.292 940 G HA3 -0.187 3.787 3.960 0.024 0.000 0.292 940 G C -0.045 174.932 174.900 0.127 0.000 1.021 940 G CA 0.679 45.836 45.100 0.093 0.000 0.905 940 G HN 0.780 nan 8.290 nan 0.000 0.508 941 T N -0.118 114.382 114.554 -0.089 0.000 2.799 941 T HA 0.531 4.895 4.350 0.024 0.000 0.286 941 T C 1.306 175.702 174.700 -0.506 0.000 0.973 941 T CA -0.668 61.327 62.100 -0.176 0.000 1.035 941 T CB 1.298 70.093 68.868 -0.121 0.000 0.932 941 T HN 0.224 nan 8.240 nan 0.000 0.469 942 R N 1.550 121.971 120.500 -0.131 0.000 2.307 942 R HA 0.298 4.653 4.340 0.024 0.000 0.200 942 R C 0.470 176.802 176.300 0.053 0.000 0.893 942 R CA 0.161 56.241 56.100 -0.034 0.000 1.042 942 R CB 0.464 30.875 30.300 0.185 0.000 1.059 942 R HN 0.678 nan 8.270 nan 0.000 0.530 943 E N 0.574 120.811 120.200 0.062 0.000 2.321 943 E HA 0.338 4.702 4.350 0.024 0.000 0.281 943 E C -1.882 174.857 176.600 0.232 0.000 0.910 943 E CA -0.645 55.872 56.400 0.196 0.000 0.770 943 E CB 1.571 31.349 29.700 0.131 0.000 1.225 943 E HN -0.066 nan 8.360 nan 0.000 0.417 944 L N 3.943 125.366 121.223 0.333 0.000 2.408 944 L HA 0.631 4.986 4.340 0.024 0.000 0.268 944 L C -1.853 175.206 176.870 0.315 0.000 0.986 944 L CA -0.363 54.614 54.840 0.228 0.000 0.820 944 L CB 1.856 43.893 42.059 -0.036 0.000 1.303 944 L HN 0.458 nan 8.230 nan 0.000 0.411 945 N N 4.077 122.940 118.700 0.271 0.000 2.296 945 N HA 0.440 5.194 4.740 0.024 0.000 0.294 945 N C -2.025 173.713 175.510 0.380 0.000 1.033 945 N CA -0.277 52.930 53.050 0.261 0.000 0.839 945 N CB 2.260 40.839 38.487 0.153 0.000 1.395 945 N HN 0.629 nan 8.380 nan 0.000 0.479 946 Y N 0.909 121.345 120.300 0.227 0.000 2.323 946 Y HA 0.408 4.972 4.550 0.024 0.000 0.322 946 Y C 0.582 176.581 175.900 0.166 0.000 1.133 946 Y CA 0.191 58.424 58.100 0.221 0.000 1.093 946 Y CB 0.664 39.325 38.460 0.335 0.000 1.203 946 Y HN 0.855 nan 8.280 nan 0.000 0.427 947 G N 6.497 115.078 108.800 -0.366 0.000 2.574 947 G HA2 -0.287 3.687 3.960 0.024 0.000 0.286 947 G HA3 -0.287 3.687 3.960 0.024 0.000 0.286 947 G C -1.855 172.915 174.900 -0.217 0.000 1.212 947 G CA 0.098 45.005 45.100 -0.322 0.000 0.979 947 G HN 0.613 nan 8.290 nan 0.000 0.557 948 P HA 0.165 nan 4.420 nan 0.000 0.255 948 P C 0.093 177.193 177.300 -0.333 0.000 1.248 948 P CA 0.528 63.443 63.100 -0.309 0.000 0.807 948 P CB 0.025 31.508 31.700 -0.363 0.000 1.150 949 H N 0.551 119.564 119.070 -0.096 0.000 2.481 949 H HA 0.435 5.006 4.556 0.024 0.000 0.339 949 H C 0.016 175.052 175.328 -0.487 0.000 1.131 949 H CA 0.002 55.868 56.048 -0.304 0.000 1.301 949 H CB 1.630 31.050 29.762 -0.569 0.000 1.476 949 H HN 0.122 nan 8.280 nan 0.000 0.529 950 Q N 2.652 122.169 119.800 -0.471 0.000 2.331 950 Q HA 0.244 4.599 4.340 0.024 0.000 0.272 950 Q C -1.652 174.033 176.000 -0.526 0.000 1.062 950 Q CA -0.754 54.854 55.803 -0.325 0.000 0.806 950 Q CB 2.160 30.864 28.738 -0.057 0.000 1.312 950 Q HN 0.587 nan 8.270 nan 0.000 0.431 951 W N 3.905 125.173 121.300 -0.054 0.000 2.656 951 W HA 0.550 5.224 4.660 0.025 0.000 0.327 951 W C -0.304 176.303 176.519 0.147 0.000 1.041 951 W CA -0.690 56.595 57.345 -0.100 0.000 1.229 951 W CB 2.006 31.207 29.460 -0.431 0.000 1.397 951 W HN 0.554 nan 8.180 nan 0.000 0.479 952 R N 0.912 121.646 120.500 0.390 0.000 2.740 952 R HA 0.805 5.160 4.340 0.024 0.000 0.282 952 R C 0.250 176.829 176.300 0.464 0.000 0.969 952 R CA -0.457 55.888 56.100 0.410 0.000 0.918 952 R CB 2.395 32.844 30.300 0.249 0.000 1.175 952 R HN 0.731 nan 8.270 nan 0.000 0.464 953 G N 0.644 109.716 108.800 0.454 0.000 2.566 953 G HA2 0.033 4.007 3.960 0.024 0.000 0.138 953 G HA3 0.033 4.007 3.960 0.024 0.000 0.138 953 G C -1.756 173.281 174.900 0.229 0.000 1.133 953 G CA -0.298 45.044 45.100 0.403 0.000 1.037 953 G HN 0.493 nan 8.290 nan 0.000 0.491 954 D N -0.082 120.445 120.400 0.212 0.000 2.411 954 D HA 0.560 5.214 4.640 0.024 0.000 0.239 954 D C -0.750 175.556 176.300 0.010 0.000 1.307 954 D CA -0.476 53.528 54.000 0.008 0.000 0.930 954 D CB 0.149 40.992 40.800 0.073 0.000 1.395 954 D HN 0.539 nan 8.370 nan 0.000 0.536 955 F N -0.266 119.687 119.950 0.004 0.000 2.824 955 F HA 0.741 5.282 4.527 0.024 0.000 0.330 955 F C -1.042 174.726 175.800 -0.052 0.000 1.175 955 F CA -1.003 56.937 58.000 -0.101 0.000 0.974 955 F CB 0.719 39.658 39.000 -0.102 0.000 1.430 955 F HN -0.151 nan 8.300 nan 0.000 0.507 956 Q N 1.498 121.405 119.800 0.178 0.000 2.345 956 Q HA 0.636 4.990 4.340 0.024 0.000 0.268 956 Q C -1.333 174.754 176.000 0.145 0.000 1.054 956 Q CA -0.498 55.319 55.803 0.024 0.000 0.835 956 Q CB 2.729 31.370 28.738 -0.161 0.000 1.339 956 Q HN 0.847 nan 8.270 nan 0.000 0.447 957 F N -1.033 118.818 119.950 -0.166 0.000 2.686 957 F HA 0.765 5.307 4.527 0.025 0.000 0.311 957 F C -1.577 174.014 175.800 -0.348 0.000 1.128 957 F CA -1.098 56.757 58.000 -0.242 0.000 0.946 957 F CB 1.523 40.401 39.000 -0.205 0.000 1.336 957 F HN 0.575 nan 8.300 nan 0.000 0.457 958 N N 1.355 119.854 118.700 -0.336 0.000 2.329 958 N HA 0.724 5.479 4.740 0.024 0.000 0.282 958 N C -2.142 173.294 175.510 -0.123 0.000 1.198 958 N CA -0.732 52.088 53.050 -0.383 0.000 0.790 958 N CB 2.569 40.870 38.487 -0.309 0.000 1.579 958 N HN 1.127 nan 8.380 nan 0.000 0.475 959 I N 0.372 120.867 120.570 -0.124 0.000 2.610 959 I HA 0.691 4.875 4.170 0.024 0.000 0.289 959 I C -1.439 174.592 176.117 -0.143 0.000 1.163 959 I CA 0.021 61.222 61.300 -0.166 0.000 1.044 959 I CB 1.391 39.230 38.000 -0.268 0.000 1.251 959 I HN 1.056 nan 8.210 nan 0.000 0.424 960 S N 6.151 121.775 115.700 -0.127 0.000 2.655 960 S HA 0.503 4.988 4.470 0.024 0.000 0.266 960 S C -0.291 174.192 174.600 -0.196 0.000 1.149 960 S CA -1.004 57.107 58.200 -0.150 0.000 0.818 960 S CB 1.666 64.827 63.200 -0.065 0.000 1.130 960 S HN 0.632 nan 8.310 nan 0.000 0.476 961 R N -0.075 120.127 120.500 -0.496 0.000 2.335 961 R HA 0.245 4.600 4.340 0.024 0.000 0.223 961 R C -0.993 175.022 176.300 -0.475 0.000 0.940 961 R CA 0.316 56.136 56.100 -0.467 0.000 1.086 961 R CB -0.978 28.959 30.300 -0.606 0.000 1.073 961 R HN 0.616 nan 8.270 nan 0.000 0.504 962 Y N -0.139 120.148 120.300 -0.021 0.000 2.391 962 Y HA 0.220 4.785 4.550 0.024 0.000 0.341 962 Y C 0.647 176.348 175.900 -0.333 0.000 0.965 962 Y CA -1.626 56.375 58.100 -0.165 0.000 1.067 962 Y CB 1.389 39.694 38.460 -0.260 0.000 1.199 962 Y HN -0.087 nan 8.280 nan 0.000 0.450 963 S N 1.689 117.077 115.700 -0.521 0.000 2.600 963 S HA 0.076 4.560 4.470 0.024 0.000 0.265 963 S C 0.901 175.162 174.600 -0.564 0.000 1.325 963 S CA -0.689 56.818 58.200 -1.156 0.000 1.002 963 S CB 1.059 63.402 63.200 -1.428 0.000 0.921 963 S HN 0.696 nan 8.310 nan 0.000 0.554 964 Q N 0.647 120.131 119.800 -0.527 0.000 2.124 964 Q HA -0.195 4.159 4.340 0.024 0.000 0.202 964 Q C 2.263 178.120 176.000 -0.239 0.000 0.977 964 Q CA 1.825 57.461 55.803 -0.279 0.000 0.850 964 Q CB -0.586 28.018 28.738 -0.224 0.000 0.901 964 Q HN 0.974 nan 8.270 nan 0.000 0.429 965 Q N 0.766 120.385 119.800 -0.302 0.000 2.030 965 Q HA -0.256 4.099 4.340 0.024 0.000 0.204 965 Q C 2.136 178.027 176.000 -0.183 0.000 0.986 965 Q CA 1.891 57.572 55.803 -0.204 0.000 0.843 965 Q CB -0.064 28.563 28.738 -0.185 0.000 0.904 965 Q HN 0.412 nan 8.270 nan 0.000 0.420 966 Q N -0.075 119.591 119.800 -0.224 0.000 2.084 966 Q HA -0.170 4.185 4.340 0.024 0.000 0.202 966 Q C 2.241 178.116 176.000 -0.209 0.000 0.978 966 Q CA 1.462 57.147 55.803 -0.197 0.000 0.844 966 Q CB -0.088 28.507 28.738 -0.238 0.000 0.898 966 Q HN 0.511 nan 8.270 nan 0.000 0.426 967 L N 0.539 121.633 121.223 -0.216 0.000 2.046 967 L HA -0.209 4.145 4.340 0.024 0.000 0.208 967 L C 2.726 179.462 176.870 -0.223 0.000 1.077 967 L CA 1.494 56.201 54.840 -0.222 0.000 0.747 967 L CB -0.545 41.417 42.059 -0.162 0.000 0.896 967 L HN 0.477 nan 8.230 nan 0.000 0.432 968 M N -1.265 118.234 119.600 -0.168 0.000 2.394 968 M HA -0.103 4.391 4.480 0.024 0.000 0.264 968 M C 1.312 177.538 176.300 -0.123 0.000 1.073 968 M CA 1.652 56.869 55.300 -0.139 0.000 1.111 968 M CB -0.296 32.238 32.600 -0.109 0.000 1.401 968 M HN 0.118 nan 8.290 nan 0.000 0.448 969 E N 0.949 121.076 120.200 -0.123 0.000 2.479 969 E HA 0.120 4.485 4.350 0.024 0.000 0.193 969 E C -0.451 176.099 176.600 -0.083 0.000 1.049 969 E CA 0.041 56.392 56.400 -0.082 0.000 0.870 969 E CB 0.547 30.209 29.700 -0.064 0.000 0.944 969 E HN 0.421 nan 8.360 nan 0.000 0.492 970 T N -0.010 114.457 114.554 -0.144 0.000 2.807 970 T HA 0.130 4.495 4.350 0.024 0.000 0.279 970 T C 0.850 175.451 174.700 -0.164 0.000 0.993 970 T CA -0.598 61.418 62.100 -0.140 0.000 0.970 970 T CB 1.710 70.460 68.868 -0.197 0.000 0.950 970 T HN -0.004 nan 8.240 nan 0.000 0.441 971 S N 1.275 116.979 115.700 0.007 0.000 2.535 971 S HA 0.179 4.663 4.470 0.024 0.000 0.214 971 S C 0.122 174.803 174.600 0.136 0.000 0.980 971 S CA -0.020 58.262 58.200 0.137 0.000 0.907 971 S CB -0.191 63.244 63.200 0.392 0.000 0.790 971 S HN 0.740 nan 8.310 nan 0.000 0.510 972 H N 0.837 119.920 119.070 0.022 0.000 2.877 972 H HA 0.447 5.018 4.556 0.024 0.000 0.347 972 H C 0.909 176.220 175.328 -0.028 0.000 1.042 972 H CA -0.806 55.309 56.048 0.112 0.000 1.276 972 H CB 1.515 31.311 29.762 0.056 0.000 1.681 972 H HN 0.110 nan 8.280 nan 0.000 0.521 973 R N 2.265 122.885 120.500 0.201 0.000 2.139 973 R HA -0.200 4.155 4.340 0.024 0.000 0.243 973 R C 1.143 177.469 176.300 0.043 0.000 1.145 973 R CA 2.038 58.193 56.100 0.092 0.000 0.976 973 R CB -0.452 29.954 30.300 0.176 0.000 0.866 973 R HN 0.777 nan 8.270 nan 0.000 0.449 974 H N 0.796 119.870 119.070 0.006 0.000 2.546 974 H HA 0.038 4.608 4.556 0.024 0.000 0.277 974 H C 1.429 176.675 175.328 -0.137 0.000 1.004 974 H CA 0.731 56.739 56.048 -0.066 0.000 1.231 974 H CB -0.098 29.607 29.762 -0.096 0.000 1.382 974 H HN 0.327 nan 8.280 nan 0.000 0.580 975 L N 0.899 121.774 121.223 -0.581 0.000 2.607 975 L HA 0.232 4.587 4.340 0.024 0.000 0.228 975 L C 0.670 177.403 176.870 -0.228 0.000 1.123 975 L CA -0.147 54.410 54.840 -0.472 0.000 0.890 975 L CB 0.222 41.970 42.059 -0.518 0.000 1.103 975 L HN 0.058 nan 8.230 nan 0.000 0.468 976 L N 0.981 122.061 121.223 -0.239 0.000 2.439 976 L HA 0.152 4.506 4.340 0.024 0.000 0.269 976 L C 0.149 176.967 176.870 -0.087 0.000 1.179 976 L CA -0.085 54.577 54.840 -0.297 0.000 0.828 976 L CB 0.430 42.102 42.059 -0.645 0.000 1.106 976 L HN 0.218 nan 8.230 nan 0.000 0.467 977 H N 1.597 120.669 119.070 0.003 0.000 2.600 977 H HA 0.584 5.154 4.556 0.024 0.000 0.357 977 H C -0.828 174.633 175.328 0.221 0.000 1.106 977 H CA -1.216 54.889 56.048 0.095 0.000 1.193 977 H CB 1.457 31.233 29.762 0.023 0.000 1.594 977 H HN 0.671 nan 8.280 nan 0.000 0.526 978 A N 3.644 126.606 122.820 0.236 0.000 2.520 978 A HA 0.097 4.431 4.320 0.024 0.000 0.245 978 A C 0.371 178.027 177.584 0.119 0.000 1.072 978 A CA -0.196 51.855 52.037 0.024 0.000 0.761 978 A CB -0.039 18.935 19.000 -0.044 0.000 1.004 978 A HN 0.848 nan 8.150 nan 0.000 0.499 979 E N 1.043 121.285 120.200 0.070 0.000 2.322 979 E HA 0.190 4.555 4.350 0.024 0.000 0.257 979 E C -0.063 176.581 176.600 0.074 0.000 1.155 979 E CA -0.643 55.858 56.400 0.168 0.000 0.936 979 E CB 0.745 30.617 29.700 0.287 0.000 1.130 979 E HN 0.794 nan 8.360 nan 0.000 0.465 980 E N -0.003 120.230 120.200 0.056 0.000 2.398 980 E HA 0.200 4.564 4.350 0.024 0.000 0.263 980 E C 0.366 176.911 176.600 -0.090 0.000 1.046 980 E CA 0.622 57.013 56.400 -0.014 0.000 0.908 980 E CB 0.524 30.212 29.700 -0.021 0.000 0.963 980 E HN 0.674 nan 8.360 nan 0.000 0.431 981 G N 2.484 111.234 108.800 -0.083 0.000 2.569 981 G HA2 -0.241 3.734 3.960 0.024 0.000 0.259 981 G HA3 -0.241 3.734 3.960 0.024 0.000 0.259 981 G C -0.599 174.223 174.900 -0.130 0.000 1.263 981 G CA -0.068 44.964 45.100 -0.113 0.000 0.928 981 G HN 0.608 nan 8.290 nan 0.000 0.572 982 T N 0.057 114.505 114.554 -0.178 0.000 2.928 982 T HA 0.501 4.866 4.350 0.024 0.000 0.296 982 T C -0.847 173.687 174.700 -0.278 0.000 1.000 982 T CA -0.187 61.816 62.100 -0.161 0.000 0.989 982 T CB 1.458 70.306 68.868 -0.033 0.000 1.005 982 T HN 0.571 nan 8.240 nan 0.000 0.442 983 W N 3.063 124.263 121.300 -0.168 0.000 2.322 983 W HA 0.612 5.287 4.660 0.025 0.000 0.307 983 W C -0.337 176.043 176.519 -0.231 0.000 1.220 983 W CA -0.696 56.548 57.345 -0.167 0.000 1.210 983 W CB 0.826 30.201 29.460 -0.141 0.000 1.223 983 W HN 0.345 nan 8.180 nan 0.000 0.511 984 L N 5.710 126.922 121.223 -0.018 0.000 2.356 984 L HA 0.496 4.851 4.340 0.024 0.000 0.277 984 L C -1.031 175.729 176.870 -0.182 0.000 0.996 984 L CA -0.632 54.072 54.840 -0.226 0.000 0.822 984 L CB 0.876 42.649 42.059 -0.476 0.000 1.256 984 L HN 0.324 nan 8.230 nan 0.000 0.413 985 N N 6.124 124.712 118.700 -0.188 0.000 2.443 985 N HA 0.436 5.191 4.740 0.024 0.000 0.269 985 N C -1.215 174.148 175.510 -0.246 0.000 0.985 985 N CA -0.213 52.725 53.050 -0.186 0.000 0.921 985 N CB 2.591 40.996 38.487 -0.138 0.000 1.195 985 N HN 0.658 nan 8.380 nan 0.000 0.492 986 I N 1.750 122.128 120.570 -0.320 0.000 2.382 986 I HA 0.266 4.451 4.170 0.024 0.000 0.286 986 I C -1.093 174.832 176.117 -0.319 0.000 1.002 986 I CA -0.566 60.509 61.300 -0.374 0.000 1.135 986 I CB 0.788 38.368 38.000 -0.701 0.000 1.288 986 I HN 0.230 nan 8.210 nan 0.000 0.448 987 D N 5.287 125.539 120.400 -0.246 0.000 2.217 987 D HA 0.301 4.955 4.640 0.024 0.000 0.243 987 D C 0.860 176.850 176.300 -0.516 0.000 1.054 987 D CA -0.228 53.562 54.000 -0.349 0.000 0.838 987 D CB 2.246 42.950 40.800 -0.160 0.000 1.162 987 D HN 0.728 nan 8.370 nan 0.000 0.472 988 G N 1.255 109.400 108.800 -1.093 0.000 2.403 988 G HA2 -0.035 3.939 3.960 0.024 0.000 0.216 988 G HA3 -0.035 3.939 3.960 0.024 0.000 0.216 988 G C 0.108 174.260 174.900 -1.247 0.000 1.154 988 G CA 0.615 44.930 45.100 -1.308 0.000 0.784 988 G HN 0.387 nan 8.290 nan 0.000 0.538 989 F N -2.348 117.408 119.950 -0.323 0.000 2.619 989 F HA 0.589 5.131 4.527 0.024 0.000 0.308 989 F C -0.572 175.130 175.800 -0.164 0.000 1.097 989 F CA -1.157 56.735 58.000 -0.180 0.000 0.953 989 F CB 2.123 40.944 39.000 -0.299 0.000 1.287 989 F HN 0.036 nan 8.300 nan 0.000 0.446 990 H N 1.758 120.840 119.070 0.020 0.000 2.865 990 H HA 0.532 5.102 4.556 0.024 0.000 0.362 990 H C -0.920 174.427 175.328 0.032 0.000 1.114 990 H CA -0.869 55.158 56.048 -0.035 0.000 1.208 990 H CB 1.871 31.598 29.762 -0.060 0.000 1.727 990 H HN 0.772 nan 8.280 nan 0.000 0.534 991 M N 3.356 122.876 119.600 -0.134 0.000 2.240 991 M HA 0.298 4.793 4.480 0.024 0.000 0.333 991 M C 0.450 176.855 176.300 0.175 0.000 1.110 991 M CA 0.277 55.585 55.300 0.013 0.000 1.173 991 M CB 0.375 32.887 32.600 -0.146 0.000 1.458 991 M HN 0.842 nan 8.290 nan 0.000 0.458 992 G N 2.866 111.750 108.800 0.140 0.000 2.664 992 G HA2 0.278 4.252 3.960 0.024 0.000 0.242 992 G HA3 0.278 4.252 3.960 0.024 0.000 0.242 992 G C 0.599 175.478 174.900 -0.034 0.000 1.225 992 G CA -0.419 44.692 45.100 0.018 0.000 0.849 992 G HN 0.973 nan 8.290 nan 0.000 0.581 993 I N -1.381 119.122 120.570 -0.112 0.000 3.645 993 I HA 0.388 4.573 4.170 0.024 0.000 0.300 993 I C 1.269 177.311 176.117 -0.124 0.000 1.260 993 I CA 0.396 61.593 61.300 -0.173 0.000 1.365 993 I CB -0.619 37.177 38.000 -0.341 0.000 1.077 993 I HN 0.902 nan 8.210 nan 0.000 0.439 994 G N 1.789 110.538 108.800 -0.084 0.000 2.641 994 G HA2 -0.020 3.955 3.960 0.024 0.000 0.254 994 G HA3 -0.020 3.955 3.960 0.024 0.000 0.254 994 G C 0.606 175.494 174.900 -0.020 0.000 1.315 994 G CA 0.297 45.386 45.100 -0.018 0.000 0.907 994 G HN 1.398 nan 8.290 nan 0.000 0.572 995 G N -2.474 106.330 108.800 0.006 0.000 2.559 995 G HA2 0.023 3.998 3.960 0.024 0.000 0.202 995 G HA3 0.023 3.998 3.960 0.024 0.000 0.202 995 G C 0.632 175.582 174.900 0.083 0.000 0.992 995 G CA 0.945 46.055 45.100 0.017 0.000 0.764 995 G HN 0.929 nan 8.290 nan 0.000 0.525 996 D N 1.207 121.678 120.400 0.118 0.000 2.203 996 D HA 0.068 4.722 4.640 0.024 0.000 0.199 996 D C 1.027 177.363 176.300 0.061 0.000 0.997 996 D CA 2.167 56.300 54.000 0.222 0.000 0.863 996 D CB 0.140 41.081 40.800 0.235 0.000 0.928 996 D HN 0.813 nan 8.370 nan 0.000 0.458 997 D N -3.440 116.791 120.400 -0.281 0.000 2.639 997 D HA 0.327 4.981 4.640 0.024 0.000 0.271 997 D C -0.839 174.946 176.300 -0.858 0.000 1.254 997 D CA -0.741 52.682 54.000 -0.962 0.000 0.810 997 D CB 0.912 40.624 40.800 -1.813 0.000 1.351 997 D HN -0.301 nan 8.370 nan 0.000 0.427 998 S N -0.493 114.543 115.700 -1.107 0.000 2.711 998 S HA 0.246 4.731 4.470 0.024 0.000 0.247 998 S C -0.595 173.997 174.600 -0.013 0.000 1.079 998 S CA -0.671 57.343 58.200 -0.309 0.000 1.050 998 S CB -0.488 62.750 63.200 0.064 0.000 0.885 998 S HN 0.621 nan 8.310 nan 0.000 0.498 999 W N 0.905 122.137 121.300 -0.114 0.000 2.304 999 W HA 0.526 5.200 4.660 0.023 0.000 0.326 999 W C 0.011 176.478 176.519 -0.087 0.000 0.920 999 W CA -0.440 56.845 57.345 -0.099 0.000 1.518 999 W CB -0.447 28.882 29.460 -0.218 0.000 1.112 999 W HN 0.178 nan 8.180 nan 0.000 0.528 1000 S N -0.949 114.593 115.700 -0.263 0.000 2.579 1000 S HA 0.650 5.135 4.470 0.024 0.000 0.272 1000 S C -3.098 171.421 174.600 -0.135 0.000 1.141 1000 S CA -1.702 56.414 58.200 -0.141 0.000 0.843 1000 S CB 1.745 64.885 63.200 -0.100 0.000 1.122 1000 S HN -0.237 nan 8.310 nan 0.000 0.468 1001 P HA 0.202 nan 4.420 nan 0.000 0.264 1001 P C 0.317 177.646 177.300 0.049 0.000 1.193 1001 P CA 0.008 63.106 63.100 -0.003 0.000 0.763 1001 P CB 0.682 32.259 31.700 -0.205 0.000 0.810 1002 S N 0.570 116.343 115.700 0.122 0.000 2.960 1002 S HA 0.141 4.626 4.470 0.024 0.000 0.256 1002 S C 0.086 174.767 174.600 0.134 0.000 1.017 1002 S CA -0.334 57.912 58.200 0.076 0.000 1.144 1002 S CB -0.323 62.866 63.200 -0.019 0.000 1.109 1002 S HN 0.098 nan 8.310 nan 0.000 0.638 1003 V N 2.914 122.954 119.914 0.210 0.000 2.455 1003 V HA 0.390 4.525 4.120 0.024 0.000 0.273 1003 V C 0.854 177.101 176.094 0.254 0.000 1.045 1003 V CA -0.260 62.153 62.300 0.189 0.000 0.976 1003 V CB 0.907 32.792 31.823 0.104 0.000 0.993 1003 V HN 0.545 nan 8.190 nan 0.000 0.475 1004 S N 4.174 120.034 115.700 0.266 0.000 2.568 1004 S HA 0.265 4.750 4.470 0.024 0.000 0.282 1004 S C 1.565 176.309 174.600 0.240 0.000 1.338 1004 S CA 0.084 58.435 58.200 0.253 0.000 1.045 1004 S CB 1.085 64.456 63.200 0.285 0.000 0.873 1004 S HN 0.997 nan 8.310 nan 0.000 0.516 1005 A N 3.730 126.646 122.820 0.161 0.000 1.917 1005 A HA -0.162 4.173 4.320 0.024 0.000 0.219 1005 A C 2.033 179.658 177.584 0.069 0.000 1.182 1005 A CA 1.911 54.031 52.037 0.138 0.000 0.633 1005 A CB -0.736 18.320 19.000 0.093 0.000 0.819 1005 A HN 0.974 nan 8.150 nan 0.000 0.448 1006 E N -0.992 119.187 120.200 -0.035 0.000 2.401 1006 E HA -0.146 4.218 4.350 0.024 0.000 0.199 1006 E C 0.698 177.071 176.600 -0.379 0.000 1.023 1006 E CA 0.873 57.129 56.400 -0.241 0.000 0.859 1006 E CB -0.420 29.049 29.700 -0.385 0.000 0.780 1006 E HN 0.637 nan 8.360 nan 0.000 0.523 1007 F N 1.165 121.168 119.950 0.089 0.000 2.653 1007 F HA 0.289 4.830 4.527 0.024 0.000 0.304 1007 F C 0.802 176.644 175.800 0.069 0.000 1.092 1007 F CA -0.357 57.695 58.000 0.087 0.000 1.279 1007 F CB 0.421 39.472 39.000 0.086 0.000 1.044 1007 F HN -0.176 nan 8.300 nan 0.000 0.564 1008 Q N 1.095 121.018 119.800 0.205 0.000 2.235 1008 Q HA 0.398 4.752 4.340 0.024 0.000 0.250 1008 Q C -0.173 175.871 176.000 0.073 0.000 0.909 1008 Q CA -0.451 55.451 55.803 0.164 0.000 0.910 1008 Q CB 1.885 30.815 28.738 0.321 0.000 1.223 1008 Q HN 0.205 nan 8.270 nan 0.000 0.432 1009 L N 2.634 123.880 121.223 0.039 0.000 2.399 1009 L HA 0.090 4.445 4.340 0.024 0.000 0.257 1009 L C 0.724 177.544 176.870 -0.084 0.000 1.236 1009 L CA -0.011 54.830 54.840 0.001 0.000 1.144 1009 L CB -0.306 41.654 42.059 -0.166 0.000 1.379 1009 L HN 0.712 nan 8.230 nan 0.000 0.414 1010 S N -1.065 114.497 115.700 -0.231 0.000 2.539 1010 S HA 0.116 4.601 4.470 0.024 0.000 0.221 1010 S C 1.710 176.212 174.600 -0.163 0.000 0.987 1010 S CA 0.198 58.075 58.200 -0.538 0.000 0.929 1010 S CB 0.669 63.460 63.200 -0.681 0.000 0.832 1010 S HN 0.518 nan 8.310 nan 0.000 0.492 1011 A N 1.530 124.289 122.820 -0.102 0.000 2.125 1011 A HA 0.418 4.752 4.320 0.024 0.000 0.219 1011 A C 2.120 179.552 177.584 -0.253 0.000 1.156 1011 A CA 1.345 53.206 52.037 -0.293 0.000 0.671 1011 A CB -1.296 17.310 19.000 -0.657 0.000 0.794 1011 A HN 1.462 nan 8.150 nan 0.000 0.459 1012 G N -1.389 107.359 108.800 -0.086 0.000 2.640 1012 G HA2 -0.292 3.682 3.960 0.024 0.000 0.226 1012 G HA3 -0.292 3.682 3.960 0.024 0.000 0.226 1012 G C 0.453 175.340 174.900 -0.021 0.000 1.222 1012 G CA 0.404 45.502 45.100 -0.003 0.000 0.729 1012 G HN 0.701 nan 8.290 nan 0.000 0.516 1013 R N -0.505 119.871 120.500 -0.206 0.000 2.561 1013 R HA 0.688 5.042 4.340 0.024 0.000 0.297 1013 R C -1.581 174.490 176.300 -0.382 0.000 0.969 1013 R CA -0.605 55.425 56.100 -0.117 0.000 0.879 1013 R CB 1.620 31.884 30.300 -0.061 0.000 1.178 1013 R HN 0.242 nan 8.270 nan 0.000 0.445 1014 Y N 0.322 120.616 120.300 -0.009 0.000 2.477 1014 Y HA 0.351 4.916 4.550 0.024 0.000 0.347 1014 Y C -0.410 175.637 175.900 0.245 0.000 0.981 1014 Y CA -0.787 57.276 58.100 -0.062 0.000 1.033 1014 Y CB 2.167 40.473 38.460 -0.257 0.000 1.245 1014 Y HN 0.600 nan 8.280 nan 0.000 0.455 1015 H N 2.517 121.872 119.070 0.476 0.000 2.717 1015 H HA 0.642 5.213 4.556 0.024 0.000 0.366 1015 H C -1.801 173.910 175.328 0.639 0.000 1.132 1015 H CA -0.855 55.447 56.048 0.422 0.000 1.180 1015 H CB 1.320 31.223 29.762 0.235 0.000 1.678 1015 H HN 0.538 nan 8.280 nan 0.000 0.537 1016 Y N 1.278 121.393 120.300 -0.309 0.000 2.609 1016 Y HA 0.449 5.013 4.550 0.024 0.000 0.336 1016 Y C -2.003 173.704 175.900 -0.323 0.000 1.129 1016 Y CA -1.139 56.852 58.100 -0.180 0.000 1.040 1016 Y CB 1.264 39.687 38.460 -0.061 0.000 1.310 1016 Y HN 0.797 nan 8.280 nan 0.000 0.460 1017 Q N 2.521 122.313 119.800 -0.013 0.000 2.340 1017 Q HA 0.834 5.189 4.340 0.024 0.000 0.276 1017 Q C -2.199 173.881 176.000 0.134 0.000 1.048 1017 Q CA -1.041 54.738 55.803 -0.040 0.000 0.832 1017 Q CB 3.233 31.981 28.738 0.017 0.000 1.373 1017 Q HN 0.849 nan 8.270 nan 0.000 0.409 1018 L N 0.862 122.154 121.223 0.115 0.000 2.415 1018 L HA 0.756 5.111 4.340 0.024 0.000 0.256 1018 L C -1.008 175.980 176.870 0.196 0.000 1.010 1018 L CA -1.288 53.668 54.840 0.193 0.000 0.826 1018 L CB 2.635 44.786 42.059 0.154 0.000 1.405 1018 L HN 0.480 nan 8.230 nan 0.000 0.410 1019 V N 0.577 120.633 119.914 0.236 0.000 2.448 1019 V HA 0.419 4.554 4.120 0.024 0.000 0.295 1019 V C -1.298 174.971 176.094 0.293 0.000 1.025 1019 V CA -0.386 62.056 62.300 0.236 0.000 0.859 1019 V CB 2.118 34.053 31.823 0.186 0.000 0.988 1019 V HN 0.604 nan 8.190 nan 0.000 0.431 1020 W N 6.887 128.251 121.300 0.106 0.000 2.475 1020 W HA 0.714 5.388 4.660 0.025 0.000 0.317 1020 W C -0.312 176.210 176.519 0.006 0.000 1.046 1020 W CA -1.173 56.151 57.345 -0.034 0.000 1.215 1020 W CB 1.421 30.928 29.460 0.079 0.000 1.335 1020 W HN 0.857 nan 8.180 nan 0.000 0.471 1021 C N 4.063 123.593 119.300 0.382 0.000 3.236 1021 C HA 0.719 5.194 4.460 0.024 0.000 0.312 1021 C C -0.359 174.754 174.990 0.205 0.000 1.374 1021 C CA -0.886 58.294 59.018 0.271 0.000 1.455 1021 C CB 1.465 29.308 27.740 0.171 0.000 1.834 1021 C HN 0.748 nan 8.230 nan 0.000 0.460 1022 Q N 1.651 121.530 119.800 0.131 0.000 2.227 1022 Q HA 0.628 4.982 4.340 0.024 0.000 0.245 1022 Q C -0.649 175.354 176.000 0.005 0.000 0.926 1022 Q CA -0.195 55.632 55.803 0.040 0.000 0.895 1022 Q CB 1.172 29.901 28.738 -0.015 0.000 1.230 1022 Q HN 0.818 nan 8.270 nan 0.000 0.450 1023 K N 0.000 120.373 120.400 -0.045 0.000 2.780 1023 K HA 0.000 4.335 4.320 0.024 0.000 0.191 1023 K CA 0.000 56.264 56.287 -0.038 0.000 0.838 1023 K CB 0.000 32.475 32.500 -0.041 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543