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 1jz5_1_D DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.067 176.300 -0.388 0.000 0.893 13 R CA 0.000 55.956 56.100 -0.240 0.000 0.921 13 R CB 0.000 30.159 30.300 -0.234 0.000 0.687 14 R N 1.326 121.487 120.500 -0.565 0.000 3.436 14 R HA 0.152 4.500 4.340 0.013 0.000 0.247 14 R C -0.166 175.581 176.300 -0.922 0.000 1.434 14 R CA -0.333 55.007 56.100 -1.267 0.000 1.543 14 R CB 0.215 29.927 30.300 -0.980 0.000 1.289 14 R HN 0.480 nan 8.270 nan 0.000 0.664 15 D N 0.992 121.057 120.400 -0.558 0.000 2.271 15 D HA -0.198 4.450 4.640 0.013 0.000 0.207 15 D C 1.339 177.557 176.300 -0.138 0.000 0.983 15 D CA 1.201 54.979 54.000 -0.370 0.000 0.878 15 D CB 0.143 40.569 40.800 -0.623 0.000 0.920 15 D HN 0.642 nan 8.370 nan 0.000 0.479 16 W N 1.203 122.517 121.300 0.025 0.000 3.180 16 W HA 0.180 4.848 4.660 0.013 0.000 0.254 16 W C 0.512 177.127 176.519 0.159 0.000 1.318 16 W CA -0.212 57.248 57.345 0.191 0.000 1.608 16 W CB -0.230 29.389 29.460 0.264 0.000 1.124 16 W HN -0.188 nan 8.180 nan 0.000 0.694 17 E N 1.158 121.242 120.200 -0.194 0.000 3.157 17 E HA 0.068 4.426 4.350 0.013 0.000 0.203 17 E C -0.715 175.756 176.600 -0.215 0.000 0.982 17 E CA -0.214 56.106 56.400 -0.133 0.000 1.217 17 E CB -0.195 29.438 29.700 -0.111 0.000 1.123 17 E HN 0.023 nan 8.360 nan 0.000 0.457 18 N N 1.039 119.640 118.700 -0.165 0.000 2.599 18 N HA 0.138 4.887 4.740 0.013 0.000 0.283 18 N C -2.454 172.922 175.510 -0.222 0.000 1.160 18 N CA -1.895 51.019 53.050 -0.227 0.000 0.869 18 N CB 1.581 39.948 38.487 -0.200 0.000 1.448 18 N HN -0.189 nan 8.380 nan 0.000 0.535 19 P HA 0.110 nan 4.420 nan 0.000 0.234 19 P C 1.035 178.103 177.300 -0.388 0.000 1.167 19 P CA 0.565 63.347 63.100 -0.529 0.000 0.763 19 P CB 0.161 31.103 31.700 -1.262 0.000 0.835 20 G N -0.584 108.033 108.800 -0.306 0.000 2.777 20 G HA2 0.063 4.031 3.960 0.013 0.000 0.211 20 G HA3 0.063 4.031 3.960 0.013 0.000 0.211 20 G C 0.240 175.067 174.900 -0.122 0.000 1.149 20 G CA 0.172 45.144 45.100 -0.214 0.000 0.785 20 G HN 0.190 nan 8.290 nan 0.000 0.536 21 V N 1.936 121.797 119.914 -0.088 0.000 2.304 21 V HA 0.274 4.402 4.120 0.013 0.000 0.278 21 V C 0.892 177.039 176.094 0.090 0.000 1.018 21 V CA 0.110 62.407 62.300 -0.006 0.000 0.814 21 V CB 1.117 32.921 31.823 -0.032 0.000 1.021 21 V HN 0.327 nan 8.190 nan 0.000 0.440 22 T N 0.803 115.405 114.554 0.080 0.000 3.069 22 T HA 0.386 4.744 4.350 0.013 0.000 0.252 22 T C 0.211 174.971 174.700 0.099 0.000 1.053 22 T CA -0.051 62.107 62.100 0.097 0.000 0.964 22 T CB 0.159 69.039 68.868 0.021 0.000 1.005 22 T HN 0.710 nan 8.240 nan 0.000 0.532 23 Q N 0.138 120.048 119.800 0.183 0.000 2.791 23 Q HA 0.645 4.993 4.340 0.013 0.000 0.280 23 Q C -2.278 173.874 176.000 0.253 0.000 0.928 23 Q CA -1.049 54.857 55.803 0.172 0.000 0.819 23 Q CB 0.675 29.430 28.738 0.029 0.000 1.552 23 Q HN 0.214 nan 8.270 nan 0.000 0.410 24 L N 1.619 123.021 121.223 0.298 0.000 2.436 24 L HA 0.639 4.987 4.340 0.013 0.000 0.268 24 L C -0.485 176.517 176.870 0.219 0.000 0.974 24 L CA -0.971 54.037 54.840 0.280 0.000 0.826 24 L CB 1.949 44.282 42.059 0.457 0.000 1.291 24 L HN 0.843 nan 8.230 nan 0.000 0.406 25 N N 0.656 119.454 118.700 0.165 0.000 2.753 25 N HA -0.214 4.534 4.740 0.013 0.000 0.251 25 N C 0.204 175.822 175.510 0.180 0.000 1.097 25 N CA 0.834 53.972 53.050 0.146 0.000 0.786 25 N CB -0.839 37.686 38.487 0.064 0.000 1.137 25 N HN 0.658 nan 8.380 nan 0.000 0.566 26 R N 0.937 121.480 120.500 0.072 0.000 2.438 26 R HA 0.342 4.690 4.340 0.013 0.000 0.287 26 R C 0.628 176.808 176.300 -0.200 0.000 1.077 26 R CA -0.283 55.658 56.100 -0.265 0.000 1.034 26 R CB 0.495 30.618 30.300 -0.294 0.000 0.993 26 R HN 0.133 nan 8.270 nan 0.000 0.459 27 L N 2.969 124.034 121.223 -0.265 0.000 2.472 27 L HA 0.272 4.620 4.340 0.013 0.000 0.260 27 L C 0.700 177.518 176.870 -0.087 0.000 1.209 27 L CA -0.493 54.279 54.840 -0.113 0.000 0.817 27 L CB 0.692 42.705 42.059 -0.076 0.000 1.106 27 L HN 0.774 nan 8.230 nan 0.000 0.479 28 A N 1.271 124.077 122.820 -0.022 0.000 2.466 28 A HA 0.499 4.827 4.320 0.013 0.000 0.238 28 A C 0.279 177.875 177.584 0.020 0.000 1.074 28 A CA 0.021 52.054 52.037 -0.007 0.000 0.774 28 A CB 0.219 19.235 19.000 0.027 0.000 1.015 28 A HN 0.794 nan 8.150 nan 0.000 0.498 29 A N 1.040 123.826 122.820 -0.057 0.000 2.332 29 A HA 0.691 5.019 4.320 0.013 0.000 0.258 29 A C 0.085 177.576 177.584 -0.155 0.000 1.087 29 A CA 0.522 52.451 52.037 -0.181 0.000 0.802 29 A CB -0.054 18.828 19.000 -0.196 0.000 1.042 29 A HN 2.029 nan 8.150 nan 0.000 0.489 30 H N -2.561 116.348 119.070 -0.268 0.000 2.921 30 H HA 0.582 5.146 4.556 0.013 0.000 0.287 30 H C -3.427 171.599 175.328 -0.503 0.000 1.434 30 H CA -1.633 54.190 56.048 -0.375 0.000 1.178 30 H CB 0.094 29.535 29.762 -0.534 0.000 1.836 30 H HN 0.394 nan 8.280 nan 0.000 0.495 31 P HA 0.235 nan 4.420 nan 0.000 0.274 31 P C -2.597 174.510 177.300 -0.322 0.000 1.256 31 P CA -1.556 61.314 63.100 -0.383 0.000 0.795 31 P CB -0.281 31.138 31.700 -0.469 0.000 1.038 32 P HA 0.068 nan 4.420 nan 0.000 0.261 32 P C -0.720 176.791 177.300 0.351 0.000 1.183 32 P CA 1.128 64.258 63.100 0.050 0.000 0.761 32 P CB -0.100 31.672 31.700 0.119 0.000 0.785 33 F N 1.299 121.346 119.950 0.161 0.000 2.579 33 F HA 0.597 5.132 4.527 0.013 0.000 0.324 33 F C 0.936 176.657 175.800 -0.131 0.000 1.058 33 F CA -1.045 56.998 58.000 0.071 0.000 0.944 33 F CB 2.238 41.250 39.000 0.019 0.000 1.245 33 F HN 0.206 nan 8.300 nan 0.000 0.477 34 A N 0.391 123.127 122.820 -0.141 0.000 2.606 34 A HA 0.245 4.573 4.320 0.013 0.000 0.230 34 A C 0.613 177.911 177.584 -0.475 0.000 1.279 34 A CA 0.367 52.073 52.037 -0.550 0.000 1.010 34 A CB -0.032 18.061 19.000 -1.513 0.000 1.271 34 A HN 0.736 nan 8.150 nan 0.000 0.584 35 S N 0.295 115.827 115.700 -0.279 0.000 3.550 35 S HA -0.147 4.332 4.470 0.013 0.000 0.372 35 S C -0.044 174.498 174.600 -0.097 0.000 0.966 35 S CA 0.416 58.503 58.200 -0.189 0.000 1.229 35 S CB -1.511 61.564 63.200 -0.208 0.000 0.917 35 S HN 0.487 nan 8.310 nan 0.000 0.496 36 W N 1.498 122.779 121.300 -0.031 0.000 2.158 36 W HA 0.250 4.918 4.660 0.013 0.000 0.339 36 W C 1.317 177.822 176.519 -0.023 0.000 1.294 36 W CA -0.526 56.813 57.345 -0.011 0.000 1.231 36 W CB 0.303 29.753 29.460 -0.016 0.000 1.143 36 W HN 0.312 nan 8.180 nan 0.000 0.571 37 R N 1.952 122.591 120.500 0.232 0.000 2.509 37 R HA 0.069 4.417 4.340 0.013 0.000 0.300 37 R C -0.034 176.334 176.300 0.113 0.000 0.985 37 R CA -0.122 56.057 56.100 0.132 0.000 1.092 37 R CB -0.161 30.198 30.300 0.099 0.000 1.237 37 R HN 0.337 nan 8.270 nan 0.000 0.546 38 N N 0.273 119.053 118.700 0.132 0.000 2.480 38 N HA 0.116 4.864 4.740 0.013 0.000 0.289 38 N C -0.033 175.456 175.510 -0.036 0.000 1.073 38 N CA -0.013 53.066 53.050 0.048 0.000 0.885 38 N CB 1.762 40.280 38.487 0.051 0.000 1.421 38 N HN -0.265 nan 8.380 nan 0.000 0.503 39 S N 2.455 118.113 115.700 -0.070 0.000 2.387 39 S HA -0.194 4.284 4.470 0.013 0.000 0.230 39 S C 1.386 175.825 174.600 -0.269 0.000 1.035 39 S CA 1.459 59.570 58.200 -0.147 0.000 1.014 39 S CB -0.012 63.128 63.200 -0.100 0.000 0.836 39 S HN 0.768 nan 8.310 nan 0.000 0.466 40 E N 1.319 121.382 120.200 -0.229 0.000 2.106 40 E HA -0.121 4.237 4.350 0.013 0.000 0.192 40 E C 1.903 178.304 176.600 -0.331 0.000 0.984 40 E CA 1.040 57.265 56.400 -0.291 0.000 0.806 40 E CB -0.122 29.462 29.700 -0.194 0.000 0.750 40 E HN 0.276 nan 8.360 nan 0.000 0.458 41 E N 0.213 120.246 120.200 -0.279 0.000 2.072 41 E HA -0.124 4.234 4.350 0.013 0.000 0.191 41 E C 2.013 178.129 176.600 -0.806 0.000 0.985 41 E CA 1.155 57.370 56.400 -0.308 0.000 0.801 41 E CB -0.543 29.128 29.700 -0.048 0.000 0.750 41 E HN 0.383 nan 8.360 nan 0.000 0.452 42 A N 1.526 123.614 122.820 -1.220 0.000 1.933 42 A HA -0.198 4.130 4.320 0.013 0.000 0.218 42 A C 2.226 179.167 177.584 -1.072 0.000 1.175 42 A CA 1.641 52.501 52.037 -1.962 0.000 0.628 42 A CB -0.493 17.875 19.000 -1.053 0.000 0.814 42 A HN 0.127 nan 8.150 nan 0.000 0.444 43 R N -0.198 119.875 120.500 -0.711 0.000 2.081 43 R HA -0.134 4.214 4.340 0.013 0.000 0.235 43 R C 1.971 177.989 176.300 -0.469 0.000 1.131 43 R CA 2.076 57.812 56.100 -0.608 0.000 0.960 43 R CB -0.452 29.368 30.300 -0.800 0.000 0.856 43 R HN 0.629 nan 8.270 nan 0.000 0.436 44 T N -2.763 111.544 114.554 -0.413 0.000 3.129 44 T HA 0.058 4.417 4.350 0.013 0.000 0.251 44 T C 0.301 174.898 174.700 -0.172 0.000 1.117 44 T CA 0.576 62.526 62.100 -0.250 0.000 1.034 44 T CB 0.136 68.890 68.868 -0.190 0.000 0.968 44 T HN 0.354 nan 8.240 nan 0.000 0.526 45 D N 0.438 120.688 120.400 -0.250 0.000 3.090 45 D HA -0.153 4.495 4.640 0.013 0.000 0.215 45 D C 0.202 176.609 176.300 0.179 0.000 1.140 45 D CA 0.535 54.538 54.000 0.006 0.000 0.937 45 D CB -1.042 39.811 40.800 0.089 0.000 1.108 45 D HN 0.584 nan 8.370 nan 0.000 0.420 46 R N 0.066 120.639 120.500 0.121 0.000 2.652 46 R HA 0.504 4.852 4.340 0.013 0.000 0.271 46 R C -2.143 174.440 176.300 0.472 0.000 1.129 46 R CA -1.243 54.993 56.100 0.227 0.000 1.200 46 R CB 0.013 30.385 30.300 0.121 0.000 1.146 46 R HN 0.058 nan 8.270 nan 0.000 0.581 47 P HA -0.017 nan 4.420 nan 0.000 0.269 47 P C -0.822 176.631 177.300 0.254 0.000 1.215 47 P CA 0.072 63.313 63.100 0.234 0.000 0.780 47 P CB 0.741 32.523 31.700 0.137 0.000 0.898 48 S N 0.739 116.449 115.700 0.016 0.000 2.449 48 S HA 0.154 4.632 4.470 0.013 0.000 0.310 48 S C 0.820 175.431 174.600 0.019 0.000 1.096 48 S CA -0.468 57.680 58.200 -0.086 0.000 1.095 48 S CB 0.474 63.353 63.200 -0.536 0.000 1.007 48 S HN 0.310 nan 8.310 nan 0.000 0.474 49 Q N 2.118 121.978 119.800 0.099 0.000 2.488 49 Q HA -0.011 4.337 4.340 0.013 0.000 0.211 49 Q C 1.155 177.306 176.000 0.251 0.000 0.967 49 Q CA 0.735 56.629 55.803 0.152 0.000 0.926 49 Q CB 0.135 28.968 28.738 0.157 0.000 0.992 49 Q HN 0.677 nan 8.270 nan 0.000 0.506 50 Q N -0.237 119.662 119.800 0.166 0.000 2.425 50 Q HA 0.050 4.398 4.340 0.013 0.000 0.204 50 Q C -0.014 176.051 176.000 0.109 0.000 0.933 50 Q CA 0.316 56.216 55.803 0.161 0.000 0.939 50 Q CB 0.362 29.091 28.738 -0.014 0.000 1.044 50 Q HN 0.159 nan 8.270 nan 0.000 0.513 51 L N 0.942 122.211 121.223 0.076 0.000 2.319 51 L HA 0.398 4.746 4.340 0.013 0.000 0.281 51 L C -0.999 175.934 176.870 0.104 0.000 1.005 51 L CA -0.263 54.608 54.840 0.051 0.000 0.828 51 L CB 1.216 43.227 42.059 -0.079 0.000 1.227 51 L HN -0.173 nan 8.230 nan 0.000 0.415 52 R N 2.502 123.093 120.500 0.151 0.000 2.740 52 R HA 0.626 4.974 4.340 0.013 0.000 0.282 52 R C -0.850 175.483 176.300 0.054 0.000 0.969 52 R CA -0.788 55.375 56.100 0.106 0.000 0.918 52 R CB 2.155 32.528 30.300 0.122 0.000 1.175 52 R HN 0.664 nan 8.270 nan 0.000 0.464 53 S N 1.972 117.694 115.700 0.038 0.000 2.480 53 S HA 0.296 4.774 4.470 0.013 0.000 0.286 53 S C 0.495 175.114 174.600 0.032 0.000 1.180 53 S CA -0.668 57.547 58.200 0.026 0.000 1.075 53 S CB 0.559 63.780 63.200 0.036 0.000 0.996 53 S HN 0.554 nan 8.310 nan 0.000 0.487 54 L N 3.680 124.925 121.223 0.036 0.000 2.741 54 L HA 0.301 4.649 4.340 0.013 0.000 0.237 54 L C 0.135 177.169 176.870 0.273 0.000 1.178 54 L CA -0.420 54.474 54.840 0.090 0.000 0.973 54 L CB -0.456 41.627 42.059 0.040 0.000 1.255 54 L HN 0.512 nan 8.230 nan 0.000 0.498 55 N N 1.360 120.163 118.700 0.172 0.000 2.479 55 N HA 0.485 5.233 4.740 0.013 0.000 0.257 55 N C 0.638 176.282 175.510 0.223 0.000 1.232 55 N CA 0.887 54.045 53.050 0.180 0.000 0.920 55 N CB 1.379 39.906 38.487 0.068 0.000 1.105 55 N HN 0.303 nan 8.380 nan 0.000 0.444 56 G N 0.562 109.523 108.800 0.268 0.000 2.366 56 G HA2 -0.043 3.925 3.960 0.013 0.000 0.190 56 G HA3 -0.043 3.925 3.960 0.013 0.000 0.190 56 G C -1.562 173.546 174.900 0.347 0.000 1.299 56 G CA -0.743 44.498 45.100 0.235 0.000 1.056 56 G HN 0.447 nan 8.290 nan 0.000 0.468 57 E N 0.064 120.441 120.200 0.296 0.000 2.200 57 E HA 0.484 4.843 4.350 0.013 0.000 0.283 57 E C -1.091 175.750 176.600 0.401 0.000 1.015 57 E CA -0.294 56.296 56.400 0.317 0.000 0.819 57 E CB 1.283 31.088 29.700 0.174 0.000 1.081 57 E HN 0.344 nan 8.360 nan 0.000 0.397 58 W N 1.566 122.962 121.300 0.160 0.000 2.894 58 W HA 0.405 5.073 4.660 0.014 0.000 0.345 58 W C 0.123 176.771 176.519 0.215 0.000 1.152 58 W CA -0.763 56.706 57.345 0.206 0.000 1.089 58 W CB 0.747 30.387 29.460 0.299 0.000 1.454 58 W HN 0.177 nan 8.180 nan 0.000 0.589 59 R N 1.515 122.291 120.500 0.460 0.000 2.368 59 R HA 0.573 4.922 4.340 0.013 0.000 0.302 59 R C -1.407 175.143 176.300 0.417 0.000 1.002 59 R CA -0.825 55.484 56.100 0.348 0.000 0.929 59 R CB 1.095 31.546 30.300 0.252 0.000 1.073 59 R HN 0.473 nan 8.270 nan 0.000 0.464 60 F N 0.499 120.497 119.950 0.080 0.000 2.591 60 F HA 0.642 5.177 4.527 0.013 0.000 0.309 60 F C -1.527 174.135 175.800 -0.229 0.000 1.098 60 F CA -0.645 57.258 58.000 -0.163 0.000 0.937 60 F CB 2.034 40.826 39.000 -0.346 0.000 1.250 60 F HN 0.616 nan 8.300 nan 0.000 0.447 61 A N 4.407 126.467 122.820 -1.267 0.000 2.455 61 A HA 0.552 4.880 4.320 0.013 0.000 0.300 61 A C -2.423 174.231 177.584 -1.550 0.000 1.040 61 A CA -0.499 50.905 52.037 -1.055 0.000 0.697 61 A CB 0.686 19.332 19.000 -0.589 0.000 1.265 61 A HN 0.934 nan 8.150 nan 0.000 0.407 62 W N 2.633 123.097 121.300 -1.394 0.000 2.469 62 W HA 0.740 5.408 4.660 0.013 0.000 0.320 62 W C -1.684 174.234 176.519 -1.002 0.000 1.086 62 W CA -0.188 56.506 57.345 -1.085 0.000 1.211 62 W CB 1.027 30.122 29.460 -0.609 0.000 1.298 62 W HN 0.500 nan 8.180 nan 0.000 0.525 63 F N 6.347 125.580 119.950 -1.195 0.000 2.588 63 F HA 0.357 4.892 4.527 0.013 0.000 0.314 63 F C -1.216 173.706 175.800 -1.463 0.000 1.069 63 F CA -2.161 55.278 58.000 -0.935 0.000 0.931 63 F CB 1.883 40.499 39.000 -0.641 0.000 1.260 63 F HN 0.217 nan 8.300 nan 0.000 0.465 64 P HA 0.077 nan 4.420 nan 0.000 0.225 64 P C -0.284 176.884 177.300 -0.220 0.000 1.156 64 P CA 0.960 63.840 63.100 -0.367 0.000 0.787 64 P CB 0.728 32.477 31.700 0.083 0.000 0.802 65 A N -0.741 121.962 122.820 -0.194 0.000 2.608 65 A HA 0.522 4.851 4.320 0.013 0.000 0.292 65 A C -2.411 175.055 177.584 -0.196 0.000 1.066 65 A CA -1.031 50.929 52.037 -0.129 0.000 0.676 65 A CB 0.475 19.467 19.000 -0.014 0.000 1.277 65 A HN -0.281 nan 8.150 nan 0.000 0.413 66 P HA -0.126 nan 4.420 nan 0.000 0.218 66 P C 0.685 177.884 177.300 -0.168 0.000 1.149 66 P CA 1.540 64.493 63.100 -0.244 0.000 0.817 66 P CB 0.195 31.728 31.700 -0.278 0.000 0.785 67 E N 0.337 120.503 120.200 -0.056 0.000 2.331 67 E HA -0.086 4.273 4.350 0.013 0.000 0.199 67 E C 2.030 178.556 176.600 -0.123 0.000 1.008 67 E CA 1.285 57.658 56.400 -0.044 0.000 0.843 67 E CB -0.983 28.727 29.700 0.017 0.000 0.761 67 E HN 0.270 nan 8.360 nan 0.000 0.507 68 A N 0.404 123.115 122.820 -0.182 0.000 2.238 68 A HA 0.079 4.407 4.320 0.013 0.000 0.208 68 A C 0.698 177.946 177.584 -0.561 0.000 1.177 68 A CA -0.095 51.819 52.037 -0.204 0.000 0.804 68 A CB 0.180 19.169 19.000 -0.018 0.000 0.823 68 A HN 0.047 nan 8.150 nan 0.000 0.482 69 V N 2.713 122.152 119.914 -0.792 0.000 2.470 69 V HA 0.189 4.317 4.120 0.013 0.000 0.276 69 V C -2.301 173.477 176.094 -0.526 0.000 1.040 69 V CA -1.435 60.200 62.300 -1.109 0.000 1.008 69 V CB 0.521 31.751 31.823 -0.988 0.000 0.990 69 V HN 0.257 nan 8.190 nan 0.000 0.477 70 P HA 0.239 nan 4.420 nan 0.000 0.276 70 P C 0.448 177.697 177.300 -0.085 0.000 1.230 70 P CA -0.333 62.670 63.100 -0.162 0.000 0.776 70 P CB 1.049 32.714 31.700 -0.058 0.000 0.888 71 E N 1.255 121.414 120.200 -0.069 0.000 2.160 71 E HA -0.166 4.192 4.350 0.013 0.000 0.195 71 E C 1.789 178.362 176.600 -0.044 0.000 0.991 71 E CA 1.729 58.091 56.400 -0.063 0.000 0.810 71 E CB -0.761 28.905 29.700 -0.056 0.000 0.742 71 E HN 0.537 nan 8.360 nan 0.000 0.466 72 S N -0.674 115.021 115.700 -0.009 0.000 2.469 72 S HA -0.176 4.303 4.470 0.013 0.000 0.238 72 S C 1.773 176.382 174.600 0.014 0.000 0.998 72 S CA 0.682 58.880 58.200 -0.002 0.000 0.957 72 S CB -0.721 62.488 63.200 0.016 0.000 0.764 72 S HN 0.535 nan 8.310 nan 0.000 0.514 73 W N 2.241 123.451 121.300 -0.151 0.000 2.421 73 W HA 0.118 4.786 4.660 0.013 0.000 0.270 73 W C 1.405 177.818 176.519 -0.178 0.000 1.233 73 W CA 0.485 57.743 57.345 -0.145 0.000 1.226 73 W CB -0.297 29.055 29.460 -0.180 0.000 1.121 73 W HN 0.273 nan 8.180 nan 0.000 0.579 74 L N 0.242 121.256 121.223 -0.348 0.000 2.093 74 L HA -0.141 4.207 4.340 0.013 0.000 0.208 74 L C 2.279 178.932 176.870 -0.362 0.000 1.085 74 L CA 1.659 56.161 54.840 -0.565 0.000 0.755 74 L CB -0.654 41.095 42.059 -0.517 0.000 0.904 74 L HN -0.082 nan 8.230 nan 0.000 0.435 75 E N -1.032 119.043 120.200 -0.209 0.000 2.216 75 E HA 0.002 4.361 4.350 0.013 0.000 0.192 75 E C 0.135 176.673 176.600 -0.103 0.000 0.973 75 E CA 0.372 56.700 56.400 -0.120 0.000 0.851 75 E CB 0.510 30.170 29.700 -0.066 0.000 0.804 75 E HN 0.563 nan 8.360 nan 0.000 0.477 76 C N -0.991 118.252 119.300 -0.095 0.000 3.173 76 C HA 0.558 5.026 4.460 0.013 0.000 0.310 76 C C -0.398 174.584 174.990 -0.013 0.000 1.306 76 C CA -1.839 57.148 59.018 -0.052 0.000 1.426 76 C CB 0.764 28.494 27.740 -0.017 0.000 1.800 76 C HN 0.210 nan 8.230 nan 0.000 0.470 77 D N 0.723 121.131 120.400 0.014 0.000 2.493 77 D HA 0.312 4.960 4.640 0.013 0.000 0.240 77 D C -0.177 176.193 176.300 0.116 0.000 1.142 77 D CA 0.249 54.298 54.000 0.083 0.000 0.872 77 D CB 0.504 41.343 40.800 0.067 0.000 1.173 77 D HN 0.549 nan 8.370 nan 0.000 0.467 78 L N 6.080 127.415 121.223 0.187 0.000 2.367 78 L HA 0.232 4.580 4.340 0.013 0.000 0.275 78 L C -1.036 175.888 176.870 0.089 0.000 1.129 78 L CA -1.419 53.508 54.840 0.144 0.000 0.839 78 L CB 0.910 43.062 42.059 0.155 0.000 1.133 78 L HN 0.531 nan 8.230 nan 0.000 0.453 79 P HA -0.190 nan 4.420 nan 0.000 0.216 79 P C 0.660 177.981 177.300 0.035 0.000 1.150 79 P CA 1.311 64.438 63.100 0.044 0.000 0.843 79 P CB 0.193 31.913 31.700 0.034 0.000 0.787 80 E N -0.170 120.045 120.200 0.024 0.000 2.482 80 E HA 0.220 4.578 4.350 0.013 0.000 0.196 80 E C 1.129 177.725 176.600 -0.007 0.000 1.047 80 E CA 0.086 56.486 56.400 -0.001 0.000 0.869 80 E CB -0.865 28.816 29.700 -0.032 0.000 0.836 80 E HN 0.258 nan 8.360 nan 0.000 0.520 81 A N 1.047 123.875 122.820 0.014 0.000 2.366 81 A HA 0.213 4.541 4.320 0.013 0.000 0.250 81 A C 0.026 177.649 177.584 0.065 0.000 1.099 81 A CA -0.268 51.774 52.037 0.008 0.000 0.794 81 A CB 0.313 19.350 19.000 0.061 0.000 1.056 81 A HN -0.013 nan 8.150 nan 0.000 0.499 82 D N -0.795 119.673 120.400 0.114 0.000 2.392 82 D HA 0.534 5.182 4.640 0.013 0.000 0.246 82 D C -0.804 175.608 176.300 0.186 0.000 1.013 82 D CA -0.011 54.082 54.000 0.156 0.000 0.993 82 D CB 1.453 42.395 40.800 0.236 0.000 1.219 82 D HN 0.364 nan 8.370 nan 0.000 0.538 83 T N 0.582 115.231 114.554 0.159 0.000 2.756 83 T HA 0.507 4.865 4.350 0.013 0.000 0.290 83 T C -0.009 174.785 174.700 0.156 0.000 0.985 83 T CA -0.554 61.648 62.100 0.171 0.000 0.955 83 T CB 0.647 69.590 68.868 0.125 0.000 0.930 83 T HN 0.266 nan 8.240 nan 0.000 0.451 84 V N 1.519 121.559 119.914 0.211 0.000 3.102 84 V HA 0.805 4.933 4.120 0.013 0.000 0.312 84 V C -0.280 175.956 176.094 0.236 0.000 1.135 84 V CA -1.047 61.348 62.300 0.159 0.000 1.022 84 V CB 1.652 33.579 31.823 0.173 0.000 1.056 84 V HN 0.499 nan 8.190 nan 0.000 0.436 85 V N 2.086 122.121 119.914 0.202 0.000 2.614 85 V HA 0.459 4.587 4.120 0.013 0.000 0.291 85 V C 0.146 176.338 176.094 0.162 0.000 1.049 85 V CA -0.090 62.327 62.300 0.195 0.000 1.038 85 V CB 1.198 33.105 31.823 0.139 0.000 0.980 85 V HN 0.739 nan 8.190 nan 0.000 0.481 86 V N 6.945 126.881 119.914 0.037 0.000 2.540 86 V HA 0.451 4.579 4.120 0.013 0.000 0.302 86 V C -2.276 173.735 176.094 -0.139 0.000 1.035 86 V CA -1.716 60.461 62.300 -0.205 0.000 0.873 86 V CB 2.444 33.805 31.823 -0.770 0.000 0.992 86 V HN 0.766 nan 8.190 nan 0.000 0.428 87 P HA 0.466 nan 4.420 nan 0.000 0.277 87 P C -0.880 176.345 177.300 -0.125 0.000 1.240 87 P CA -0.174 62.812 63.100 -0.189 0.000 0.798 87 P CB 1.303 32.902 31.700 -0.168 0.000 0.979 88 S N 0.181 115.803 115.700 -0.129 0.000 2.578 88 S HA 0.406 4.884 4.470 0.013 0.000 0.272 88 S C -1.272 173.226 174.600 -0.170 0.000 1.145 88 S CA -1.018 57.081 58.200 -0.168 0.000 0.835 88 S CB 0.446 63.484 63.200 -0.270 0.000 1.104 88 S HN 0.320 nan 8.310 nan 0.000 0.458 89 N N 0.894 119.445 118.700 -0.249 0.000 2.421 89 N HA 0.444 5.192 4.740 0.013 0.000 0.285 89 N C 0.700 176.031 175.510 -0.299 0.000 1.027 89 N CA -0.767 52.117 53.050 -0.278 0.000 0.918 89 N CB 0.685 38.983 38.487 -0.316 0.000 1.152 89 N HN 0.868 nan 8.380 nan 0.000 0.485 90 W N 2.459 123.620 121.300 -0.231 0.000 2.350 90 W HA -0.136 4.533 4.660 0.014 0.000 0.289 90 W C 1.068 177.576 176.519 -0.017 0.000 1.215 90 W CA 0.882 58.103 57.345 -0.206 0.000 1.236 90 W CB -0.429 28.881 29.460 -0.249 0.000 1.130 90 W HN 0.515 nan 8.180 nan 0.000 0.541 91 Q N 0.455 120.239 119.800 -0.027 0.000 2.291 91 Q HA -0.127 4.221 4.340 0.013 0.000 0.206 91 Q C 2.108 178.061 176.000 -0.078 0.000 0.976 91 Q CA 1.834 57.618 55.803 -0.032 0.000 0.875 91 Q CB -0.544 28.046 28.738 -0.246 0.000 0.927 91 Q HN 0.326 nan 8.270 nan 0.000 0.450 92 M N -1.236 118.288 119.600 -0.127 0.000 2.558 92 M HA -0.013 4.475 4.480 0.013 0.000 0.255 92 M C 0.753 177.125 176.300 0.120 0.000 1.113 92 M CA 1.213 56.462 55.300 -0.085 0.000 1.097 92 M CB -0.454 32.072 32.600 -0.123 0.000 1.426 92 M HN 0.373 nan 8.290 nan 0.000 0.488 93 H N -0.500 118.615 119.070 0.076 0.000 2.539 93 H HA 0.241 4.806 4.556 0.014 0.000 0.269 93 H C 1.188 176.444 175.328 -0.120 0.000 0.980 93 H CA 0.142 56.236 56.048 0.075 0.000 1.152 93 H CB 0.412 30.366 29.762 0.320 0.000 1.407 93 H HN 0.566 nan 8.280 nan 0.000 0.564 94 G N 0.551 109.377 108.800 0.043 0.000 2.136 94 G HA2 -0.356 3.612 3.960 0.013 0.000 0.242 94 G HA3 -0.356 3.612 3.960 0.013 0.000 0.242 94 G C 0.328 175.102 174.900 -0.210 0.000 0.989 94 G CA 0.311 45.355 45.100 -0.092 0.000 0.682 94 G HN 0.477 nan 8.290 nan 0.000 0.522 95 Y N 1.365 121.694 120.300 0.048 0.000 2.314 95 Y HA 0.241 4.799 4.550 0.013 0.000 0.293 95 Y C 1.670 177.361 175.900 -0.347 0.000 1.129 95 Y CA 1.686 59.706 58.100 -0.134 0.000 1.201 95 Y CB 0.284 38.763 38.460 0.032 0.000 0.999 95 Y HN 0.657 nan 8.280 nan 0.000 0.541 96 D N -1.861 118.610 120.400 0.119 0.000 2.692 96 D HA 0.452 5.101 4.640 0.013 0.000 0.290 96 D C -1.254 175.127 176.300 0.134 0.000 1.281 96 D CA -0.790 53.279 54.000 0.115 0.000 0.804 96 D CB 0.764 41.742 40.800 0.296 0.000 1.331 96 D HN -0.068 nan 8.370 nan 0.000 0.432 97 A N 0.137 123.043 122.820 0.143 0.000 2.310 97 A HA 0.703 5.031 4.320 0.013 0.000 0.299 97 A C -2.340 175.269 177.584 0.042 0.000 1.147 97 A CA -1.189 50.907 52.037 0.097 0.000 0.818 97 A CB 0.222 19.342 19.000 0.201 0.000 1.096 97 A HN 0.532 nan 8.150 nan 0.000 0.495 98 P HA 0.454 nan 4.420 nan 0.000 0.284 98 P C -0.944 176.505 177.300 0.249 0.000 1.253 98 P CA 0.058 63.085 63.100 -0.122 0.000 0.800 98 P CB 0.883 32.207 31.700 -0.626 0.000 0.961 99 I N 2.822 123.637 120.570 0.409 0.000 2.433 99 I HA 0.255 4.433 4.170 0.013 0.000 0.292 99 I C -0.341 176.016 176.117 0.400 0.000 1.001 99 I CA -1.010 60.557 61.300 0.446 0.000 1.119 99 I CB 1.603 39.792 38.000 0.315 0.000 1.289 99 I HN 0.290 nan 8.210 nan 0.000 0.438 100 Y N 5.991 126.286 120.300 -0.008 0.000 2.717 100 Y HA 0.459 5.017 4.550 0.013 0.000 0.329 100 Y C -0.169 175.594 175.900 -0.229 0.000 1.017 100 Y CA -0.416 57.370 58.100 -0.524 0.000 1.275 100 Y CB 0.828 38.346 38.460 -1.569 0.000 1.109 100 Y HN 0.553 nan 8.280 nan 0.000 0.511 101 T N 4.557 118.619 114.554 -0.820 0.000 2.887 101 T HA 0.265 4.624 4.350 0.013 0.000 0.288 101 T C 0.313 174.588 174.700 -0.708 0.000 1.021 101 T CA -0.574 61.079 62.100 -0.745 0.000 1.000 101 T CB 1.151 69.814 68.868 -0.341 0.000 1.034 101 T HN 0.740 nan 8.240 nan 0.000 0.467 102 N N 2.712 121.058 118.700 -0.589 0.000 2.288 102 N HA 0.052 4.800 4.740 0.013 0.000 0.199 102 N C 1.575 176.882 175.510 -0.338 0.000 1.043 102 N CA 1.564 54.438 53.050 -0.293 0.000 0.947 102 N CB -0.719 37.639 38.487 -0.214 0.000 1.140 102 N HN 0.380 nan 8.380 nan 0.000 0.490 103 V N 0.452 120.085 119.914 -0.468 0.000 2.341 103 V HA 0.073 4.201 4.120 0.013 0.000 0.240 103 V C 0.399 176.204 176.094 -0.481 0.000 1.035 103 V CA 1.124 63.057 62.300 -0.611 0.000 1.033 103 V CB -0.975 30.373 31.823 -0.792 0.000 0.678 103 V HN 0.383 nan 8.190 nan 0.000 0.464 104 T N 1.223 115.562 114.554 -0.359 0.000 2.831 104 T HA 0.071 4.429 4.350 0.013 0.000 0.291 104 T C -0.317 174.267 174.700 -0.192 0.000 0.981 104 T CA 0.327 62.288 62.100 -0.232 0.000 1.174 104 T CB -0.452 68.313 68.868 -0.172 0.000 0.929 104 T HN 0.182 nan 8.240 nan 0.000 0.532 105 Y N 4.811 125.024 120.300 -0.145 0.000 2.683 105 Y HA 0.087 4.645 4.550 0.013 0.000 0.340 105 Y C -0.767 175.014 175.900 -0.200 0.000 1.245 105 Y CA -1.606 56.399 58.100 -0.159 0.000 1.485 105 Y CB 0.436 38.800 38.460 -0.159 0.000 1.328 105 Y HN 0.512 nan 8.280 nan 0.000 0.603 106 P HA 0.025 nan 4.420 nan 0.000 0.245 106 P C -0.468 176.594 177.300 -0.398 0.000 1.212 106 P CA 1.006 63.994 63.100 -0.187 0.000 0.774 106 P CB -0.074 31.546 31.700 -0.135 0.000 0.999 107 I N -5.724 114.596 120.570 -0.416 0.000 3.074 107 I HA 0.495 4.673 4.170 0.013 0.000 0.310 107 I C -0.606 175.373 176.117 -0.230 0.000 1.153 107 I CA -1.237 59.791 61.300 -0.454 0.000 0.993 107 I CB 1.784 39.347 38.000 -0.728 0.000 1.237 107 I HN -0.475 nan 8.210 nan 0.000 0.443 108 T N 2.613 117.079 114.554 -0.146 0.000 2.946 108 T HA 0.132 4.490 4.350 0.013 0.000 0.311 108 T C 0.189 174.872 174.700 -0.028 0.000 1.063 108 T CA -0.139 61.929 62.100 -0.054 0.000 1.139 108 T CB 0.559 69.421 68.868 -0.010 0.000 0.994 108 T HN 0.383 nan 8.240 nan 0.000 0.547 109 V N 4.977 124.894 119.914 0.006 0.000 2.352 109 V HA 0.243 4.371 4.120 0.013 0.000 0.253 109 V C 0.697 176.844 176.094 0.089 0.000 1.083 109 V CA -0.206 62.115 62.300 0.036 0.000 0.993 109 V CB -0.245 31.592 31.823 0.023 0.000 1.111 109 V HN 0.844 nan 8.190 nan 0.000 0.490 110 N N 5.715 124.531 118.700 0.193 0.000 2.666 110 N HA 0.237 4.985 4.740 0.013 0.000 0.253 110 N C -2.922 172.655 175.510 0.111 0.000 1.621 110 N CA -1.279 51.867 53.050 0.160 0.000 0.785 110 N CB 1.380 40.004 38.487 0.229 0.000 1.332 110 N HN 0.266 nan 8.380 nan 0.000 0.514 111 P HA 0.138 nan 4.420 nan 0.000 0.264 111 P C -2.177 174.879 177.300 -0.407 0.000 1.183 111 P CA -0.561 62.071 63.100 -0.781 0.000 0.763 111 P CB 0.517 31.703 31.700 -0.856 0.000 0.807 112 P HA 0.200 nan 4.420 nan 0.000 0.263 112 P C -0.369 176.805 177.300 -0.211 0.000 1.448 112 P CA -0.212 62.642 63.100 -0.411 0.000 0.983 112 P CB 0.118 31.550 31.700 -0.446 0.000 1.481 113 F N 1.038 121.105 119.950 0.194 0.000 2.378 113 F HA 0.338 4.874 4.527 0.014 0.000 0.319 113 F C 1.354 177.330 175.800 0.294 0.000 1.155 113 F CA -0.757 57.370 58.000 0.213 0.000 1.157 113 F CB 0.609 39.678 39.000 0.115 0.000 1.252 113 F HN -0.226 nan 8.300 nan 0.000 0.550 114 V N -1.483 118.707 119.914 0.460 0.000 3.126 114 V HA 0.705 4.834 4.120 0.013 0.000 0.314 114 V C -2.735 173.522 176.094 0.271 0.000 1.138 114 V CA -2.744 59.740 62.300 0.307 0.000 1.034 114 V CB 1.354 33.399 31.823 0.370 0.000 1.075 114 V HN 0.516 nan 8.190 nan 0.000 0.442 115 P HA 0.184 nan 4.420 nan 0.000 0.269 115 P C 0.957 178.393 177.300 0.227 0.000 1.215 115 P CA 0.555 63.747 63.100 0.154 0.000 0.780 115 P CB 0.589 32.343 31.700 0.091 0.000 0.898 116 T N -2.023 112.637 114.554 0.177 0.000 2.951 116 T HA -0.074 4.284 4.350 0.013 0.000 0.268 116 T C 0.647 175.451 174.700 0.174 0.000 1.073 116 T CA 0.758 62.969 62.100 0.185 0.000 1.134 116 T CB -0.464 68.481 68.868 0.129 0.000 0.884 116 T HN 0.403 nan 8.240 nan 0.000 0.479 117 E N 2.417 122.720 120.200 0.171 0.000 1.893 117 E HA 0.232 4.590 4.350 0.013 0.000 0.269 117 E C -0.836 175.909 176.600 0.243 0.000 1.129 117 E CA -0.377 56.128 56.400 0.175 0.000 0.904 117 E CB 0.092 29.897 29.700 0.175 0.000 1.077 117 E HN 0.248 nan 8.360 nan 0.000 0.407 118 N N 4.578 123.394 118.700 0.193 0.000 2.573 118 N HA 0.254 5.002 4.740 0.013 0.000 0.262 118 N C -2.848 172.683 175.510 0.034 0.000 1.029 118 N CA -2.449 50.742 53.050 0.236 0.000 0.882 118 N CB 1.176 39.795 38.487 0.220 0.000 1.204 118 N HN 0.058 nan 8.380 nan 0.000 0.519 119 P HA 0.034 nan 4.420 nan 0.000 0.261 119 P C -0.831 176.366 177.300 -0.171 0.000 1.173 119 P CA 0.394 63.412 63.100 -0.138 0.000 0.760 119 P CB 0.382 32.282 31.700 0.334 0.000 0.783 120 T N 2.625 116.810 114.554 -0.615 0.000 2.809 120 T HA 0.564 4.922 4.350 0.013 0.000 0.284 120 T C 0.229 174.378 174.700 -0.918 0.000 0.992 120 T CA -0.573 61.209 62.100 -0.531 0.000 0.957 120 T CB 1.549 70.159 68.868 -0.431 0.000 0.942 120 T HN 0.363 nan 8.240 nan 0.000 0.439 121 G N 1.123 109.434 108.800 -0.814 0.000 2.370 121 G HA2 0.496 4.464 3.960 0.013 0.000 0.317 121 G HA3 0.496 4.464 3.960 0.013 0.000 0.317 121 G C -0.320 174.312 174.900 -0.448 0.000 1.162 121 G CA -0.395 44.146 45.100 -0.931 0.000 0.922 121 G HN 0.874 nan 8.290 nan 0.000 0.454 122 C N 2.901 121.709 119.300 -0.821 0.000 2.251 122 C HA 0.514 4.983 4.460 0.013 0.000 0.323 122 C C -0.586 174.379 174.990 -0.042 0.000 1.241 122 C CA -0.896 57.815 59.018 -0.512 0.000 1.601 122 C CB -1.433 25.502 27.740 -1.342 0.000 2.251 122 C HN 0.642 nan 8.230 nan 0.000 0.488 123 Y N 1.898 122.509 120.300 0.519 0.000 2.446 123 Y HA 0.650 5.208 4.550 0.014 0.000 0.338 123 Y C 0.741 177.119 175.900 0.798 0.000 1.055 123 Y CA -0.105 58.394 58.100 0.665 0.000 1.101 123 Y CB 1.696 40.477 38.460 0.536 0.000 1.221 123 Y HN 0.708 nan 8.280 nan 0.000 0.460 124 S N 2.444 118.676 115.700 0.887 0.000 2.556 124 S HA 0.824 5.302 4.470 0.013 0.000 0.271 124 S C -1.945 172.742 174.600 0.146 0.000 1.135 124 S CA -0.790 57.693 58.200 0.471 0.000 0.858 124 S CB 2.182 65.532 63.200 0.251 0.000 1.114 124 S HN 0.601 nan 8.310 nan 0.000 0.468 125 L N 0.868 121.986 121.223 -0.175 0.000 2.482 125 L HA 0.717 5.065 4.340 0.013 0.000 0.263 125 L C -1.028 175.770 176.870 -0.120 0.000 0.957 125 L CA 0.105 54.677 54.840 -0.446 0.000 0.836 125 L CB 2.372 43.636 42.059 -1.325 0.000 1.324 125 L HN 0.916 nan 8.230 nan 0.000 0.406 126 T N 5.242 119.754 114.554 -0.070 0.000 2.767 126 T HA 0.734 5.092 4.350 0.013 0.000 0.284 126 T C -0.747 174.007 174.700 0.090 0.000 0.973 126 T CA 0.023 62.131 62.100 0.013 0.000 0.996 126 T CB 0.294 69.142 68.868 -0.035 0.000 0.927 126 T HN 0.466 nan 8.240 nan 0.000 0.456 127 F N 1.481 121.353 119.950 -0.131 0.000 2.754 127 F HA 0.828 5.364 4.527 0.014 0.000 0.320 127 F C -1.015 174.728 175.800 -0.096 0.000 1.156 127 F CA -1.441 56.485 58.000 -0.123 0.000 0.950 127 F CB 1.411 40.328 39.000 -0.138 0.000 1.388 127 F HN 0.517 nan 8.300 nan 0.000 0.485 128 N N -0.407 118.181 118.700 -0.188 0.000 2.853 128 N HA 0.692 5.440 4.740 0.013 0.000 0.258 128 N C -1.600 173.818 175.510 -0.153 0.000 1.444 128 N CA -0.575 52.280 53.050 -0.326 0.000 0.837 128 N CB 2.068 40.398 38.487 -0.260 0.000 1.489 128 N HN 0.878 nan 8.380 nan 0.000 0.529 129 V N -4.017 115.775 119.914 -0.204 0.000 3.074 129 V HA 0.584 4.712 4.120 0.013 0.000 0.314 129 V C -0.328 175.531 176.094 -0.392 0.000 1.117 129 V CA -1.044 61.063 62.300 -0.321 0.000 1.014 129 V CB 1.740 33.459 31.823 -0.172 0.000 1.057 129 V HN 0.853 nan 8.190 nan 0.000 0.438 130 D N 0.850 120.825 120.400 -0.709 0.000 2.488 130 D HA -0.055 4.593 4.640 0.013 0.000 0.238 130 D C 0.953 177.083 176.300 -0.283 0.000 1.138 130 D CA 0.519 54.197 54.000 -0.536 0.000 0.873 130 D CB 1.668 42.020 40.800 -0.747 0.000 1.183 130 D HN 0.891 nan 8.370 nan 0.000 0.458 131 E N 2.093 122.207 120.200 -0.144 0.000 2.097 131 E HA -0.228 4.130 4.350 0.013 0.000 0.196 131 E C 1.877 178.490 176.600 0.022 0.000 1.000 131 E CA 2.074 58.445 56.400 -0.049 0.000 0.804 131 E CB -0.275 29.407 29.700 -0.030 0.000 0.740 131 E HN 0.489 nan 8.360 nan 0.000 0.454 132 S N -0.941 114.790 115.700 0.051 0.000 2.442 132 S HA -0.141 4.337 4.470 0.013 0.000 0.236 132 S C 1.569 176.307 174.600 0.231 0.000 1.007 132 S CA 0.901 59.191 58.200 0.150 0.000 0.965 132 S CB -0.722 62.590 63.200 0.186 0.000 0.773 132 S HN 0.388 nan 8.310 nan 0.000 0.504 133 W N 1.548 122.715 121.300 -0.223 0.000 2.678 133 W HA 0.397 5.065 4.660 0.014 0.000 0.256 133 W C 1.766 178.229 176.519 -0.094 0.000 1.280 133 W CA -0.683 56.432 57.345 -0.383 0.000 1.345 133 W CB -0.912 28.258 29.460 -0.484 0.000 1.118 133 W HN 0.334 nan 8.180 nan 0.000 0.629 134 L N -0.351 120.974 121.223 0.171 0.000 2.341 134 L HA -0.078 4.270 4.340 0.013 0.000 0.214 134 L C 2.362 179.298 176.870 0.109 0.000 1.115 134 L CA 0.791 55.703 54.840 0.120 0.000 0.820 134 L CB -0.629 41.467 42.059 0.061 0.000 0.944 134 L HN -0.033 nan 8.230 nan 0.000 0.452 135 Q N -0.126 119.745 119.800 0.117 0.000 1.965 135 Q HA -0.034 4.314 4.340 0.013 0.000 0.200 135 Q C 0.214 176.281 176.000 0.112 0.000 0.981 135 Q CA 1.102 56.966 55.803 0.102 0.000 0.834 135 Q CB 0.350 29.146 28.738 0.097 0.000 0.900 135 Q HN 0.374 nan 8.270 nan 0.000 0.426 136 E N -2.161 118.134 120.200 0.158 0.000 2.456 136 E HA 0.523 4.881 4.350 0.013 0.000 0.278 136 E C -0.654 176.077 176.600 0.219 0.000 1.034 136 E CA -0.087 56.398 56.400 0.142 0.000 0.846 136 E CB 1.634 31.394 29.700 0.100 0.000 1.460 136 E HN 0.317 nan 8.360 nan 0.000 0.463 137 G N 0.863 109.708 108.800 0.076 0.000 2.662 137 G HA2 -0.168 3.800 3.960 0.013 0.000 0.686 137 G HA3 -0.168 3.800 3.960 0.013 0.000 0.686 137 G C -0.914 173.960 174.900 -0.044 0.000 1.271 137 G CA -0.395 44.649 45.100 -0.093 0.000 0.816 137 G HN 0.422 nan 8.290 nan 0.000 0.608 138 Q N 0.032 119.696 119.800 -0.226 0.000 2.325 138 Q HA 0.618 4.967 4.340 0.013 0.000 0.262 138 Q C -0.635 175.332 176.000 -0.055 0.000 0.968 138 Q CA -0.442 55.312 55.803 -0.081 0.000 0.877 138 Q CB 1.073 29.749 28.738 -0.104 0.000 1.253 138 Q HN 0.564 nan 8.270 nan 0.000 0.448 139 T N 5.627 120.241 114.554 0.100 0.000 2.756 139 T HA 0.432 4.791 4.350 0.013 0.000 0.290 139 T C -0.477 174.294 174.700 0.118 0.000 0.985 139 T CA -0.606 61.566 62.100 0.120 0.000 0.955 139 T CB 0.440 69.466 68.868 0.264 0.000 0.930 139 T HN 0.623 nan 8.240 nan 0.000 0.451 140 R N 2.947 123.485 120.500 0.063 0.000 2.873 140 R HA 0.780 5.128 4.340 0.013 0.000 0.264 140 R C -1.061 175.280 176.300 0.069 0.000 1.026 140 R CA -1.017 55.132 56.100 0.082 0.000 1.002 140 R CB 1.550 31.881 30.300 0.052 0.000 1.174 140 R HN 0.550 nan 8.270 nan 0.000 0.488 141 I N 2.005 122.622 120.570 0.078 0.000 2.441 141 I HA 0.450 4.628 4.170 0.013 0.000 0.295 141 I C -1.149 174.944 176.117 -0.040 0.000 0.994 141 I CA -1.302 59.983 61.300 -0.024 0.000 1.144 141 I CB 1.415 39.391 38.000 -0.039 0.000 1.314 141 I HN 0.611 nan 8.210 nan 0.000 0.445 142 I N 7.334 127.786 120.570 -0.197 0.000 2.447 142 I HA 0.297 4.475 4.170 0.013 0.000 0.287 142 I C -1.282 174.650 176.117 -0.308 0.000 1.023 142 I CA -0.380 60.836 61.300 -0.139 0.000 1.083 142 I CB 1.608 39.550 38.000 -0.095 0.000 1.245 142 I HN 0.414 nan 8.210 nan 0.000 0.434 143 F N 4.642 124.571 119.950 -0.034 0.000 2.308 143 F HA 0.266 4.801 4.527 0.013 0.000 0.370 143 F C 1.297 176.988 175.800 -0.181 0.000 1.100 143 F CA -0.472 57.447 58.000 -0.135 0.000 1.108 143 F CB 0.755 39.660 39.000 -0.159 0.000 1.293 143 F HN 0.468 nan 8.300 nan 0.000 0.478 144 D N 2.350 122.673 120.400 -0.129 0.000 2.264 144 D HA 0.032 4.681 4.640 0.013 0.000 0.208 144 D C 0.993 177.122 176.300 -0.285 0.000 0.966 144 D CA 0.897 54.767 54.000 -0.215 0.000 0.864 144 D CB 0.413 41.028 40.800 -0.309 0.000 0.933 144 D HN 0.630 nan 8.370 nan 0.000 0.499 145 G N -0.423 108.158 108.800 -0.365 0.000 2.596 145 G HA2 0.416 4.384 3.960 0.013 0.000 0.300 145 G HA3 0.416 4.384 3.960 0.013 0.000 0.300 145 G C -1.503 173.126 174.900 -0.451 0.000 1.370 145 G CA -0.448 44.327 45.100 -0.541 0.000 1.170 145 G HN -0.051 nan 8.290 nan 0.000 0.594 146 V N 2.656 122.507 119.914 -0.106 0.000 2.577 146 V HA 0.557 4.685 4.120 0.013 0.000 0.303 146 V C -0.847 175.320 176.094 0.122 0.000 1.042 146 V CA -1.160 61.087 62.300 -0.088 0.000 0.872 146 V CB 2.010 33.566 31.823 -0.446 0.000 0.998 146 V HN 0.712 nan 8.190 nan 0.000 0.423 147 N N 2.362 121.123 118.700 0.103 0.000 2.443 147 N HA 0.309 5.057 4.740 0.013 0.000 0.269 147 N C 0.658 176.094 175.510 -0.123 0.000 0.985 147 N CA 0.218 53.249 53.050 -0.031 0.000 0.921 147 N CB 2.265 40.603 38.487 -0.248 0.000 1.195 147 N HN 0.676 nan 8.380 nan 0.000 0.492 148 S N 2.199 117.863 115.700 -0.060 0.000 2.506 148 S HA 0.540 5.018 4.470 0.013 0.000 0.219 148 S C 0.379 175.031 174.600 0.086 0.000 1.031 148 S CA 0.266 58.483 58.200 0.029 0.000 0.911 148 S CB 0.284 63.519 63.200 0.059 0.000 0.812 148 S HN 0.687 nan 8.310 nan 0.000 0.497 149 A N 0.580 123.460 122.820 0.099 0.000 2.608 149 A HA 0.729 5.057 4.320 0.013 0.000 0.292 149 A C -1.328 176.333 177.584 0.128 0.000 1.066 149 A CA -0.921 51.137 52.037 0.036 0.000 0.676 149 A CB 0.704 19.753 19.000 0.082 0.000 1.277 149 A HN 1.138 nan 8.150 nan 0.000 0.413 150 F N -0.603 119.143 119.950 -0.339 0.000 2.719 150 F HA 0.748 5.282 4.527 0.013 0.000 0.309 150 F C -1.176 174.516 175.800 -0.179 0.000 1.138 150 F CA -0.801 57.104 58.000 -0.159 0.000 0.943 150 F CB 1.121 40.018 39.000 -0.171 0.000 1.304 150 F HN 0.633 nan 8.300 nan 0.000 0.445 151 H N 1.946 121.197 119.070 0.302 0.000 2.472 151 H HA 0.693 5.257 4.556 0.014 0.000 0.338 151 H C -1.378 173.911 175.328 -0.064 0.000 1.133 151 H CA -0.685 55.395 56.048 0.053 0.000 1.216 151 H CB 2.446 32.243 29.762 0.059 0.000 1.497 151 H HN 0.789 nan 8.280 nan 0.000 0.500 152 L N 3.163 124.146 121.223 -0.400 0.000 2.365 152 L HA 0.406 4.754 4.340 0.013 0.000 0.273 152 L C -1.547 174.995 176.870 -0.546 0.000 1.000 152 L CA -0.463 54.200 54.840 -0.295 0.000 0.819 152 L CB 1.364 43.177 42.059 -0.409 0.000 1.284 152 L HN 0.510 nan 8.230 nan 0.000 0.418 153 W N 4.396 125.659 121.300 -0.062 0.000 2.844 153 W HA 0.604 5.272 4.660 0.014 0.000 0.340 153 W C -1.166 175.294 176.519 -0.098 0.000 1.093 153 W CA -0.831 56.467 57.345 -0.078 0.000 1.212 153 W CB 2.012 31.467 29.460 -0.008 0.000 1.422 153 W HN 0.601 nan 8.180 nan 0.000 0.515 154 C N 4.421 123.795 119.300 0.123 0.000 2.481 154 C HA 0.310 4.778 4.460 0.013 0.000 0.324 154 C C 0.188 175.311 174.990 0.221 0.000 1.170 154 C CA -0.392 58.706 59.018 0.133 0.000 1.361 154 C CB -0.238 27.517 27.740 0.025 0.000 1.977 154 C HN 0.807 nan 8.230 nan 0.000 0.459 155 N N 3.600 122.395 118.700 0.159 0.000 2.714 155 N HA -0.191 4.557 4.740 0.013 0.000 0.252 155 N C 1.008 176.592 175.510 0.122 0.000 1.014 155 N CA 2.025 55.140 53.050 0.108 0.000 0.735 155 N CB -1.255 37.302 38.487 0.116 0.000 0.924 155 N HN 1.875 nan 8.380 nan 0.000 0.540 156 G N -1.237 107.625 108.800 0.105 0.000 2.212 156 G HA2 -0.372 3.596 3.960 0.013 0.000 0.266 156 G HA3 -0.372 3.596 3.960 0.013 0.000 0.266 156 G C 0.158 175.225 174.900 0.277 0.000 0.978 156 G CA 0.639 45.796 45.100 0.095 0.000 0.632 156 G HN 0.558 nan 8.290 nan 0.000 0.537 157 R N -0.914 119.813 120.500 0.378 0.000 2.346 157 R HA 0.398 4.746 4.340 0.013 0.000 0.311 157 R C -0.166 176.457 176.300 0.537 0.000 0.983 157 R CA -0.905 55.490 56.100 0.492 0.000 0.880 157 R CB 0.967 31.587 30.300 0.534 0.000 1.100 157 R HN 0.219 nan 8.270 nan 0.000 0.453 158 W N 3.951 125.429 121.300 0.297 0.000 2.264 158 W HA 0.009 4.677 4.660 0.013 0.000 0.331 158 W C 0.133 176.560 176.519 -0.153 0.000 1.364 158 W CA 0.154 57.394 57.345 -0.174 0.000 1.253 158 W CB 0.627 29.939 29.460 -0.246 0.000 1.215 158 W HN 0.352 nan 8.180 nan 0.000 0.561 159 V N 5.346 124.555 119.914 -1.176 0.000 2.599 159 V HA 0.551 4.679 4.120 0.013 0.000 0.237 159 V C 1.097 176.179 176.094 -1.688 0.000 1.081 159 V CA 1.002 62.571 62.300 -1.219 0.000 1.107 159 V CB -0.606 30.562 31.823 -1.092 0.000 0.808 159 V HN 0.822 nan 8.190 nan 0.000 0.486 160 G N -1.768 105.797 108.800 -2.058 0.000 2.428 160 G HA2 0.478 4.446 3.960 0.013 0.000 0.304 160 G HA3 0.478 4.446 3.960 0.013 0.000 0.304 160 G C -2.442 171.943 174.900 -0.859 0.000 1.303 160 G CA -0.271 43.937 45.100 -1.487 0.000 0.825 160 G HN 0.047 nan 8.290 nan 0.000 0.484 161 Y N -0.499 119.504 120.300 -0.494 0.000 2.562 161 Y HA 0.719 5.277 4.550 0.013 0.000 0.345 161 Y C -0.046 175.631 175.900 -0.372 0.000 1.045 161 Y CA -0.090 57.702 58.100 -0.515 0.000 1.028 161 Y CB 2.262 40.605 38.460 -0.195 0.000 1.297 161 Y HN 1.176 nan 8.280 nan 0.000 0.463 162 G N 3.467 111.408 108.800 -1.431 0.000 2.696 162 G HA2 0.595 4.563 3.960 0.013 0.000 0.295 162 G HA3 0.595 4.563 3.960 0.013 0.000 0.295 162 G C -2.097 172.338 174.900 -0.774 0.000 1.398 162 G CA -0.893 43.698 45.100 -0.849 0.000 0.920 162 G HN 0.624 nan 8.290 nan 0.000 0.492 163 Q N -0.237 119.362 119.800 -0.336 0.000 2.552 163 Q HA 0.586 4.934 4.340 0.013 0.000 0.289 163 Q C -1.403 174.593 176.000 -0.007 0.000 1.097 163 Q CA -0.851 54.883 55.803 -0.115 0.000 0.812 163 Q CB 2.715 31.444 28.738 -0.015 0.000 1.460 163 Q HN 0.627 nan 8.270 nan 0.000 0.452 164 D N -0.094 120.340 120.400 0.058 0.000 4.370 164 D HA -0.093 4.555 4.640 0.013 0.000 0.238 164 D C -0.517 175.844 176.300 0.101 0.000 1.104 164 D CA 0.390 54.440 54.000 0.082 0.000 1.101 164 D CB -0.634 40.200 40.800 0.057 0.000 0.749 164 D HN 0.550 nan 8.370 nan 0.000 0.351 165 S N 2.954 118.728 115.700 0.123 0.000 2.537 165 S HA -0.078 4.400 4.470 0.013 0.000 0.240 165 S C 1.548 176.276 174.600 0.214 0.000 0.981 165 S CA 0.561 58.863 58.200 0.170 0.000 0.948 165 S CB 0.254 63.522 63.200 0.113 0.000 0.759 165 S HN 0.445 nan 8.310 nan 0.000 0.531 166 R N 0.077 120.668 120.500 0.152 0.000 2.565 166 R HA 0.434 4.783 4.340 0.013 0.000 0.347 166 R C -0.369 175.992 176.300 0.102 0.000 1.010 166 R CA 0.040 56.234 56.100 0.157 0.000 1.126 166 R CB 0.165 30.586 30.300 0.201 0.000 1.331 166 R HN 0.326 nan 8.270 nan 0.000 0.552 167 L N 1.659 122.912 121.223 0.051 0.000 2.333 167 L HA 0.525 4.873 4.340 0.013 0.000 0.263 167 L C -2.327 174.518 176.870 -0.042 0.000 1.014 167 L CA -2.284 52.554 54.840 -0.003 0.000 0.820 167 L CB 2.842 44.891 42.059 -0.018 0.000 1.352 167 L HN -0.201 nan 8.230 nan 0.000 0.421 168 P HA 0.110 nan 4.420 nan 0.000 0.271 168 P C -1.046 176.213 177.300 -0.069 0.000 1.216 168 P CA -0.239 62.809 63.100 -0.085 0.000 0.776 168 P CB 1.137 32.747 31.700 -0.149 0.000 0.881 169 S N 1.772 117.487 115.700 0.025 0.000 2.498 169 S HA 0.313 4.791 4.470 0.013 0.000 0.317 169 S C -0.481 174.048 174.600 -0.119 0.000 1.090 169 S CA -0.618 57.548 58.200 -0.057 0.000 1.089 169 S CB 0.834 64.151 63.200 0.194 0.000 0.997 169 S HN 0.372 nan 8.310 nan 0.000 0.470 170 E N 2.254 122.177 120.200 -0.462 0.000 2.199 170 E HA 0.589 4.947 4.350 0.013 0.000 0.269 170 E C -1.393 174.757 176.600 -0.750 0.000 0.899 170 E CA -0.623 55.563 56.400 -0.357 0.000 0.772 170 E CB 1.636 31.261 29.700 -0.125 0.000 1.155 170 E HN 0.402 nan 8.360 nan 0.000 0.408 171 F N 0.516 120.513 119.950 0.078 0.000 2.565 171 F HA 0.217 4.752 4.527 0.014 0.000 0.313 171 F C 0.053 175.869 175.800 0.027 0.000 1.091 171 F CA -1.184 56.828 58.000 0.019 0.000 0.915 171 F CB 1.523 40.498 39.000 -0.040 0.000 1.208 171 F HN 0.301 nan 8.300 nan 0.000 0.453 172 D N 2.621 123.140 120.400 0.199 0.000 2.339 172 D HA 0.206 4.854 4.640 0.013 0.000 0.256 172 D C 0.364 176.799 176.300 0.226 0.000 1.214 172 D CA 0.329 54.432 54.000 0.170 0.000 0.877 172 D CB 0.974 41.861 40.800 0.144 0.000 1.111 172 D HN 0.571 nan 8.370 nan 0.000 0.478 173 L N 2.745 124.103 121.223 0.226 0.000 2.640 173 L HA 0.008 4.356 4.340 0.013 0.000 0.230 173 L C 2.149 179.262 176.870 0.406 0.000 1.123 173 L CA -0.149 54.876 54.840 0.307 0.000 0.900 173 L CB 0.008 42.215 42.059 0.247 0.000 1.146 173 L HN 0.302 nan 8.230 nan 0.000 0.484 174 S N 1.466 117.337 115.700 0.284 0.000 2.393 174 S HA -0.322 4.156 4.470 0.013 0.000 0.234 174 S C 1.994 176.708 174.600 0.189 0.000 1.064 174 S CA 1.963 60.295 58.200 0.220 0.000 1.088 174 S CB -0.251 63.038 63.200 0.148 0.000 0.939 174 S HN 0.573 nan 8.310 nan 0.000 0.448 175 A N -0.644 122.270 122.820 0.156 0.000 2.238 175 A HA 0.313 4.641 4.320 0.013 0.000 0.208 175 A C 1.265 178.736 177.584 -0.187 0.000 1.177 175 A CA 0.386 52.390 52.037 -0.055 0.000 0.804 175 A CB -0.452 18.423 19.000 -0.209 0.000 0.823 175 A HN 0.483 nan 8.150 nan 0.000 0.482 176 F N -0.676 119.326 119.950 0.088 0.000 2.717 176 F HA 0.340 4.875 4.527 0.013 0.000 0.297 176 F C 0.680 176.531 175.800 0.085 0.000 1.113 176 F CA -0.395 57.657 58.000 0.088 0.000 1.319 176 F CB -0.044 39.019 39.000 0.105 0.000 1.097 176 F HN -0.042 nan 8.300 nan 0.000 0.595 177 L N 2.336 123.722 121.223 0.272 0.000 2.461 177 L HA 0.275 4.623 4.340 0.013 0.000 0.272 177 L C 0.514 177.433 176.870 0.083 0.000 1.197 177 L CA -0.031 54.915 54.840 0.176 0.000 0.836 177 L CB 0.419 42.591 42.059 0.188 0.000 1.105 177 L HN 0.163 nan 8.230 nan 0.000 0.477 178 R N 1.921 122.430 120.500 0.015 0.000 2.855 178 R HA 0.819 5.167 4.340 0.013 0.000 0.266 178 R C -1.101 175.167 176.300 -0.053 0.000 1.034 178 R CA -0.926 55.166 56.100 -0.013 0.000 0.944 178 R CB 1.466 31.756 30.300 -0.018 0.000 1.219 178 R HN 0.532 nan 8.270 nan 0.000 0.474 179 A N 0.796 123.590 122.820 -0.044 0.000 2.445 179 A HA 0.518 4.846 4.320 0.013 0.000 0.242 179 A C 1.064 178.596 177.584 -0.087 0.000 1.075 179 A CA 0.855 52.856 52.037 -0.059 0.000 0.777 179 A CB -0.526 18.450 19.000 -0.040 0.000 1.013 179 A HN 1.364 nan 8.150 nan 0.000 0.493 180 G N 1.120 109.857 108.800 -0.105 0.000 2.531 180 G HA2 -0.207 3.762 3.960 0.013 0.000 0.274 180 G HA3 -0.207 3.762 3.960 0.013 0.000 0.274 180 G C -0.034 174.763 174.900 -0.173 0.000 1.159 180 G CA 0.353 45.383 45.100 -0.117 0.000 0.969 180 G HN 1.005 nan 8.290 nan 0.000 0.554 181 E N 1.815 121.918 120.200 -0.161 0.000 2.313 181 E HA 0.355 4.713 4.350 0.013 0.000 0.276 181 E C -0.087 176.352 176.600 -0.267 0.000 1.031 181 E CA -0.214 56.059 56.400 -0.212 0.000 0.857 181 E CB 0.513 30.130 29.700 -0.139 0.000 1.040 181 E HN 0.423 nan 8.360 nan 0.000 0.408 182 N N 2.392 120.816 118.700 -0.460 0.000 2.240 182 N HA 0.374 5.123 4.740 0.013 0.000 0.302 182 N C -0.872 174.473 175.510 -0.276 0.000 1.106 182 N CA -0.668 52.089 53.050 -0.489 0.000 0.778 182 N CB 2.337 40.236 38.487 -0.979 0.000 1.431 182 N HN 0.259 nan 8.380 nan 0.000 0.479 183 R N 1.856 122.343 120.500 -0.022 0.000 2.476 183 R HA 0.462 4.810 4.340 0.013 0.000 0.305 183 R C -1.223 175.174 176.300 0.163 0.000 0.965 183 R CA -0.455 55.693 56.100 0.080 0.000 0.867 183 R CB 0.879 31.168 30.300 -0.019 0.000 1.176 183 R HN 0.479 nan 8.270 nan 0.000 0.447 184 L N 3.217 124.552 121.223 0.187 0.000 2.325 184 L HA 0.733 5.081 4.340 0.013 0.000 0.279 184 L C -0.239 176.693 176.870 0.104 0.000 1.054 184 L CA -0.843 54.098 54.840 0.169 0.000 0.804 184 L CB 1.924 44.067 42.059 0.140 0.000 1.200 184 L HN 0.747 nan 8.230 nan 0.000 0.436 185 A N 3.392 126.278 122.820 0.111 0.000 2.335 185 A HA 0.750 5.078 4.320 0.013 0.000 0.304 185 A C -1.023 176.826 177.584 0.441 0.000 1.118 185 A CA -0.457 51.543 52.037 -0.063 0.000 0.757 185 A CB 1.487 19.977 19.000 -0.851 0.000 1.188 185 A HN 0.379 nan 8.150 nan 0.000 0.460 186 V N 3.368 123.704 119.914 0.703 0.000 2.407 186 V HA 0.445 4.573 4.120 0.013 0.000 0.291 186 V C -0.063 176.586 176.094 0.925 0.000 1.018 186 V CA -0.303 62.434 62.300 0.728 0.000 0.842 186 V CB 1.539 33.592 31.823 0.383 0.000 0.996 186 V HN 0.962 nan 8.190 nan 0.000 0.426 187 M N 5.966 126.140 119.600 0.956 0.000 2.080 187 M HA 0.512 5.000 4.480 0.013 0.000 0.350 187 M C -1.340 175.227 176.300 0.446 0.000 1.143 187 M CA -0.316 55.373 55.300 0.648 0.000 1.064 187 M CB 0.911 33.940 32.600 0.715 0.000 1.429 187 M HN 0.499 nan 8.290 nan 0.000 0.418 188 V N 6.500 126.626 119.914 0.354 0.000 2.427 188 V HA 0.414 4.542 4.120 0.013 0.000 0.286 188 V C -0.117 176.131 176.094 0.256 0.000 1.034 188 V CA -0.688 61.810 62.300 0.331 0.000 0.893 188 V CB 1.627 33.726 31.823 0.460 0.000 0.982 188 V HN 0.759 nan 8.190 nan 0.000 0.452 189 L N 4.833 126.142 121.223 0.143 0.000 2.282 189 L HA 0.537 4.885 4.340 0.013 0.000 0.288 189 L C 1.496 178.370 176.870 0.007 0.000 1.033 189 L CA -0.448 54.400 54.840 0.014 0.000 0.807 189 L CB 1.174 43.141 42.059 -0.153 0.000 1.209 189 L HN 0.623 nan 8.230 nan 0.000 0.423 190 R N 2.873 123.333 120.500 -0.067 0.000 2.083 190 R HA -0.082 4.266 4.340 0.013 0.000 0.237 190 R C -0.367 175.630 176.300 -0.505 0.000 1.137 190 R CA 1.620 57.436 56.100 -0.474 0.000 0.951 190 R CB 0.197 30.054 30.300 -0.738 0.000 0.851 190 R HN 0.576 nan 8.270 nan 0.000 0.434 191 W N -0.208 121.142 121.300 0.083 0.000 2.689 191 W HA 0.405 5.073 4.660 0.013 0.000 0.340 191 W C -0.293 176.321 176.519 0.158 0.000 1.060 191 W CA -0.841 56.560 57.345 0.094 0.000 1.218 191 W CB 1.764 31.281 29.460 0.095 0.000 1.410 191 W HN 0.015 nan 8.180 nan 0.000 0.528 192 S N -1.146 114.821 115.700 0.445 0.000 2.727 192 S HA 0.221 4.699 4.470 0.013 0.000 0.278 192 S C 0.058 174.907 174.600 0.414 0.000 1.186 192 S CA -0.444 58.035 58.200 0.465 0.000 0.836 192 S CB 1.176 64.628 63.200 0.419 0.000 1.186 192 S HN 0.609 nan 8.310 nan 0.000 0.499 193 D N 0.315 120.972 120.400 0.428 0.000 2.264 193 D HA 0.090 4.738 4.640 0.013 0.000 0.208 193 D C 1.778 178.393 176.300 0.525 0.000 0.966 193 D CA 1.083 55.390 54.000 0.512 0.000 0.864 193 D CB -0.724 40.253 40.800 0.294 0.000 0.933 193 D HN 0.688 nan 8.370 nan 0.000 0.499 194 G N 0.231 109.254 108.800 0.372 0.000 2.432 194 G HA2 -0.279 3.689 3.960 0.013 0.000 0.219 194 G HA3 -0.279 3.689 3.960 0.013 0.000 0.219 194 G C 1.717 176.802 174.900 0.308 0.000 1.135 194 G CA 0.779 46.071 45.100 0.320 0.000 0.767 194 G HN 0.315 nan 8.290 nan 0.000 0.550 195 S N -0.035 115.827 115.700 0.269 0.000 2.419 195 S HA -0.135 4.343 4.470 0.013 0.000 0.235 195 S C 1.913 176.607 174.600 0.157 0.000 1.019 195 S CA 0.877 59.203 58.200 0.211 0.000 0.982 195 S CB -0.436 62.886 63.200 0.204 0.000 0.789 195 S HN 0.571 nan 8.310 nan 0.000 0.490 196 Y N 1.140 121.558 120.300 0.197 0.000 2.333 196 Y HA 0.001 4.559 4.550 0.013 0.000 0.290 196 Y C 1.660 177.654 175.900 0.156 0.000 1.144 196 Y CA 0.715 58.843 58.100 0.047 0.000 1.228 196 Y CB -0.173 38.222 38.460 -0.107 0.000 0.985 196 Y HN 0.202 nan 8.280 nan 0.000 0.542 197 L N -0.314 121.096 121.223 0.312 0.000 2.667 197 L HA 0.118 4.466 4.340 0.013 0.000 0.232 197 L C -0.006 177.008 176.870 0.239 0.000 1.138 197 L CA 0.367 55.351 54.840 0.240 0.000 0.921 197 L CB 0.076 42.277 42.059 0.236 0.000 1.180 197 L HN 0.156 nan 8.230 nan 0.000 0.487 198 E N -0.298 120.060 120.200 0.263 0.000 3.646 198 E HA 0.041 4.399 4.350 0.013 0.000 0.211 198 E C -0.406 176.322 176.600 0.214 0.000 1.034 198 E CA -0.094 56.448 56.400 0.236 0.000 1.341 198 E CB 0.467 30.293 29.700 0.209 0.000 1.202 198 E HN 0.022 nan 8.360 nan 0.000 0.447 199 D N 1.196 121.691 120.400 0.158 0.000 2.519 199 D HA 0.016 4.665 4.640 0.013 0.000 0.238 199 D C -0.254 176.068 176.300 0.037 0.000 1.192 199 D CA -0.002 53.987 54.000 -0.019 0.000 0.835 199 D CB 0.121 40.684 40.800 -0.396 0.000 0.975 199 D HN 0.085 nan 8.370 nan 0.000 0.490 200 Q N 0.429 120.335 119.800 0.178 0.000 2.392 200 Q HA 0.109 4.457 4.340 0.013 0.000 0.262 200 Q C 0.014 176.159 176.000 0.241 0.000 1.003 200 Q CA -0.059 55.915 55.803 0.284 0.000 0.888 200 Q CB 0.618 29.671 28.738 0.526 0.000 1.260 200 Q HN 0.001 nan 8.270 nan 0.000 0.435 201 D N 3.314 123.881 120.400 0.280 0.000 2.542 201 D HA 0.068 4.716 4.640 0.013 0.000 0.242 201 D C -0.762 175.718 176.300 0.300 0.000 1.207 201 D CA 0.297 54.456 54.000 0.265 0.000 1.172 201 D CB -0.507 40.449 40.800 0.261 0.000 1.126 201 D HN 0.505 nan 8.370 nan 0.000 0.500 202 M N -0.105 119.637 119.600 0.235 0.000 3.012 202 M HA 0.367 4.855 4.480 0.013 0.000 0.272 202 M C -1.282 175.122 176.300 0.173 0.000 1.187 202 M CA -1.175 54.172 55.300 0.078 0.000 0.813 202 M CB 0.989 33.543 32.600 -0.077 0.000 1.626 202 M HN -0.127 nan 8.290 nan 0.000 0.507 203 W N 1.995 123.376 121.300 0.135 0.000 2.257 203 W HA 0.270 4.938 4.660 0.014 0.000 0.337 203 W C 0.264 176.800 176.519 0.028 0.000 1.321 203 W CA -0.076 57.340 57.345 0.118 0.000 1.267 203 W CB 0.348 29.813 29.460 0.008 0.000 1.187 203 W HN 0.289 nan 8.180 nan 0.000 0.565 204 R N 4.962 125.652 120.500 0.316 0.000 2.204 204 R HA 0.411 4.759 4.340 0.013 0.000 0.341 204 R C -0.103 176.201 176.300 0.006 0.000 1.035 204 R CA -0.233 55.963 56.100 0.160 0.000 0.887 204 R CB 0.236 30.714 30.300 0.298 0.000 1.114 204 R HN 0.562 nan 8.270 nan 0.000 0.473 205 M N 0.197 119.685 119.600 -0.187 0.000 2.739 205 M HA 0.527 5.015 4.480 0.013 0.000 0.284 205 M C 0.017 175.964 176.300 -0.589 0.000 1.103 205 M CA -0.786 54.287 55.300 -0.378 0.000 0.809 205 M CB 2.080 34.446 32.600 -0.389 0.000 1.708 205 M HN 0.638 nan 8.290 nan 0.000 0.481 206 S N -1.406 113.817 115.700 -0.794 0.000 2.636 206 S HA 0.905 5.383 4.470 0.013 0.000 0.266 206 S C -0.597 173.483 174.600 -0.866 0.000 1.147 206 S CA -0.214 57.443 58.200 -0.906 0.000 0.815 206 S CB 1.516 63.993 63.200 -1.204 0.000 1.119 206 S HN 1.492 nan 8.310 nan 0.000 0.470 207 G N 0.034 108.545 108.800 -0.482 0.000 2.318 207 G HA2 0.165 4.133 3.960 0.013 0.000 0.367 207 G HA3 0.165 4.133 3.960 0.013 0.000 0.367 207 G C -1.491 173.368 174.900 -0.068 0.000 1.260 207 G CA -0.534 44.582 45.100 0.026 0.000 1.055 207 G HN 1.254 nan 8.290 nan 0.000 0.484 208 I N 2.011 122.388 120.570 -0.321 0.000 2.316 208 I HA 0.323 4.501 4.170 0.013 0.000 0.286 208 I C 0.992 176.939 176.117 -0.284 0.000 1.107 208 I CA -0.295 60.713 61.300 -0.487 0.000 1.219 208 I CB 0.076 37.509 38.000 -0.946 0.000 1.455 208 I HN 0.527 nan 8.210 nan 0.000 0.498 209 F N 4.411 124.188 119.950 -0.288 0.000 2.695 209 F HA 0.478 5.013 4.527 0.013 0.000 0.303 209 F C 0.653 176.361 175.800 -0.153 0.000 1.091 209 F CA -0.431 57.439 58.000 -0.217 0.000 1.300 209 F CB 0.150 39.022 39.000 -0.214 0.000 1.071 209 F HN 0.117 nan 8.300 nan 0.000 0.578 210 R N 0.479 120.551 120.500 -0.715 0.000 2.905 210 R HA 0.238 4.586 4.340 0.013 0.000 0.260 210 R C -0.717 175.376 176.300 -0.345 0.000 1.086 210 R CA -1.131 54.651 56.100 -0.529 0.000 0.978 210 R CB 0.804 30.697 30.300 -0.679 0.000 1.215 210 R HN -0.024 nan 8.270 nan 0.000 0.480 211 D N 0.674 120.922 120.400 -0.252 0.000 2.406 211 D HA 0.087 4.735 4.640 0.013 0.000 0.234 211 D C -0.463 175.710 176.300 -0.213 0.000 1.196 211 D CA 0.464 54.355 54.000 -0.182 0.000 0.881 211 D CB 0.659 41.385 40.800 -0.123 0.000 1.205 211 D HN -0.019 nan 8.370 nan 0.000 0.453 212 V N 0.841 120.648 119.914 -0.178 0.000 2.540 212 V HA 0.532 4.660 4.120 0.013 0.000 0.302 212 V C 0.029 176.019 176.094 -0.174 0.000 1.035 212 V CA -0.561 61.580 62.300 -0.265 0.000 0.873 212 V CB 1.690 33.388 31.823 -0.208 0.000 0.992 212 V HN 0.759 nan 8.190 nan 0.000 0.428 213 S N 4.710 120.276 115.700 -0.223 0.000 2.618 213 S HA 0.843 5.321 4.470 0.013 0.000 0.277 213 S C -1.297 173.237 174.600 -0.110 0.000 1.138 213 S CA -0.928 57.203 58.200 -0.114 0.000 0.844 213 S CB 1.930 65.093 63.200 -0.062 0.000 1.127 213 S HN 0.461 nan 8.310 nan 0.000 0.474 214 L N 1.518 122.739 121.223 -0.003 0.000 2.333 214 L HA 0.668 5.016 4.340 0.013 0.000 0.280 214 L C -1.401 175.547 176.870 0.129 0.000 1.004 214 L CA -0.838 54.059 54.840 0.095 0.000 0.820 214 L CB 1.677 43.897 42.059 0.268 0.000 1.247 214 L HN 0.676 nan 8.230 nan 0.000 0.416 215 L N 3.439 124.685 121.223 0.039 0.000 2.376 215 L HA 0.407 4.755 4.340 0.013 0.000 0.275 215 L C -0.674 176.082 176.870 -0.190 0.000 0.987 215 L CA -0.089 54.721 54.840 -0.050 0.000 0.828 215 L CB 1.410 43.457 42.059 -0.019 0.000 1.249 215 L HN 0.498 nan 8.230 nan 0.000 0.409 216 H N 5.774 124.500 119.070 -0.573 0.000 2.685 216 H HA 0.381 4.945 4.556 0.014 0.000 0.286 216 H C -0.968 174.082 175.328 -0.464 0.000 1.102 216 H CA -0.669 54.886 56.048 -0.821 0.000 1.254 216 H CB 0.657 29.308 29.762 -1.852 0.000 1.397 216 H HN 0.526 nan 8.280 nan 0.000 0.473 217 K N 4.807 124.856 120.400 -0.585 0.000 2.185 217 K HA 0.387 4.715 4.320 0.013 0.000 0.240 217 K C -2.609 173.672 176.600 -0.531 0.000 0.983 217 K CA -1.980 54.029 56.287 -0.463 0.000 0.873 217 K CB 1.541 33.864 32.500 -0.294 0.000 1.118 217 K HN 0.477 nan 8.250 nan 0.000 0.441 218 P HA 0.081 nan 4.420 nan 0.000 0.276 218 P C 0.661 177.846 177.300 -0.193 0.000 1.252 218 P CA -0.109 62.839 63.100 -0.254 0.000 0.802 218 P CB 0.321 31.928 31.700 -0.155 0.000 1.035 219 T N -3.164 111.308 114.554 -0.136 0.000 2.904 219 T HA -0.033 4.325 4.350 0.013 0.000 0.267 219 T C 0.691 175.333 174.700 -0.096 0.000 1.059 219 T CA 1.216 63.257 62.100 -0.099 0.000 1.137 219 T CB -0.995 67.836 68.868 -0.062 0.000 0.879 219 T HN 0.280 nan 8.240 nan 0.000 0.467 220 T N 3.366 117.865 114.554 -0.092 0.000 2.811 220 T HA 0.453 4.811 4.350 0.013 0.000 0.309 220 T C -0.321 174.316 174.700 -0.105 0.000 1.005 220 T CA -0.742 61.298 62.100 -0.101 0.000 0.955 220 T CB 0.575 69.396 68.868 -0.077 0.000 0.970 220 T HN 0.681 nan 8.240 nan 0.000 0.496 221 Q N 2.438 122.163 119.800 -0.124 0.000 2.544 221 Q HA 0.645 4.994 4.340 0.013 0.000 0.291 221 Q C -1.063 174.869 176.000 -0.112 0.000 1.068 221 Q CA -1.206 54.518 55.803 -0.131 0.000 0.785 221 Q CB 1.433 30.073 28.738 -0.164 0.000 1.481 221 Q HN 0.416 nan 8.270 nan 0.000 0.430 222 I N 2.563 123.049 120.570 -0.139 0.000 2.379 222 I HA 0.021 4.199 4.170 0.013 0.000 0.290 222 I C 0.677 176.707 176.117 -0.144 0.000 1.063 222 I CA 0.000 61.243 61.300 -0.096 0.000 1.351 222 I CB 1.088 38.995 38.000 -0.154 0.000 1.410 222 I HN 0.880 nan 8.210 nan 0.000 0.505 223 S N 2.782 118.499 115.700 0.028 0.000 2.502 223 S HA 0.202 4.681 4.470 0.013 0.000 0.215 223 S C 0.202 175.000 174.600 0.331 0.000 1.009 223 S CA -0.243 58.037 58.200 0.133 0.000 0.908 223 S CB 0.309 63.544 63.200 0.059 0.000 0.801 223 S HN 0.705 nan 8.310 nan 0.000 0.505 224 D N -0.294 120.299 120.400 0.322 0.000 2.742 224 D HA 0.515 5.163 4.640 0.013 0.000 0.262 224 D C -2.001 174.481 176.300 0.302 0.000 1.240 224 D CA -0.697 53.493 54.000 0.316 0.000 0.752 224 D CB 1.594 42.467 40.800 0.121 0.000 1.290 224 D HN 0.210 nan 8.370 nan 0.000 0.420 225 F N -0.710 119.300 119.950 0.100 0.000 2.654 225 F HA 0.561 5.096 4.527 0.013 0.000 0.314 225 F C -1.622 174.244 175.800 0.110 0.000 1.116 225 F CA -0.783 57.214 58.000 -0.004 0.000 1.017 225 F CB 1.011 40.049 39.000 0.064 0.000 1.285 225 F HN 0.232 nan 8.300 nan 0.000 0.448 226 H N 2.140 121.306 119.070 0.159 0.000 2.529 226 H HA 0.751 5.315 4.556 0.014 0.000 0.348 226 H C -1.256 174.127 175.328 0.090 0.000 1.079 226 H CA -1.524 54.544 56.048 0.033 0.000 1.198 226 H CB 2.657 32.413 29.762 -0.011 0.000 1.521 226 H HN 0.607 nan 8.280 nan 0.000 0.514 227 V N 2.460 122.487 119.914 0.189 0.000 2.417 227 V HA 0.646 4.774 4.120 0.013 0.000 0.291 227 V C -0.216 175.877 176.094 -0.001 0.000 1.024 227 V CA -0.512 61.842 62.300 0.091 0.000 0.861 227 V CB 1.193 33.066 31.823 0.083 0.000 0.985 227 V HN 0.928 nan 8.190 nan 0.000 0.436 228 A N 3.393 126.189 122.820 -0.040 0.000 2.413 228 A HA 0.952 5.280 4.320 0.013 0.000 0.307 228 A C -0.148 177.342 177.584 -0.157 0.000 1.087 228 A CA -0.536 51.456 52.037 -0.075 0.000 0.750 228 A CB 2.038 21.016 19.000 -0.037 0.000 1.296 228 A HN 0.897 nan 8.150 nan 0.000 0.423 229 T N -0.179 114.264 114.554 -0.185 0.000 2.847 229 T HA 0.710 5.068 4.350 0.013 0.000 0.291 229 T C -0.516 173.969 174.700 -0.360 0.000 0.998 229 T CA -0.608 61.299 62.100 -0.321 0.000 0.967 229 T CB 0.854 69.484 68.868 -0.397 0.000 0.954 229 T HN 0.675 nan 8.240 nan 0.000 0.441 230 R N 2.008 122.219 120.500 -0.481 0.000 2.711 230 R HA 0.785 5.133 4.340 0.013 0.000 0.284 230 R C -1.134 174.749 176.300 -0.694 0.000 0.968 230 R CA -0.746 55.134 56.100 -0.366 0.000 0.924 230 R CB 1.507 31.706 30.300 -0.169 0.000 1.162 230 R HN 0.551 nan 8.270 nan 0.000 0.465 231 F N 0.407 120.336 119.950 -0.034 0.000 2.631 231 F HA 0.362 4.896 4.527 0.012 0.000 0.328 231 F C 0.595 176.251 175.800 -0.239 0.000 1.067 231 F CA -1.055 56.861 58.000 -0.140 0.000 0.969 231 F CB 0.985 39.778 39.000 -0.344 0.000 1.332 231 F HN 0.529 nan 8.300 nan 0.000 0.490 232 N N -0.051 118.622 118.700 -0.045 0.000 2.418 232 N HA 0.066 4.814 4.740 0.013 0.000 0.283 232 N C 0.442 175.806 175.510 -0.243 0.000 1.267 232 N CA -0.177 52.811 53.050 -0.103 0.000 0.975 232 N CB 0.025 38.482 38.487 -0.051 0.000 1.167 232 N HN 0.653 nan 8.380 nan 0.000 0.581 233 D N -1.211 119.100 120.400 -0.149 0.000 2.158 233 D HA -0.241 4.407 4.640 0.013 0.000 0.197 233 D C 0.346 176.565 176.300 -0.136 0.000 0.995 233 D CA 1.653 55.570 54.000 -0.139 0.000 0.846 233 D CB -0.527 40.249 40.800 -0.039 0.000 0.941 233 D HN 0.742 nan 8.370 nan 0.000 0.456 234 D N -1.843 118.520 120.400 -0.062 0.000 2.440 234 D HA 0.033 4.681 4.640 0.013 0.000 0.216 234 D C 0.104 176.551 176.300 0.245 0.000 1.150 234 D CA -0.901 53.170 54.000 0.118 0.000 0.832 234 D CB -0.859 40.012 40.800 0.119 0.000 0.992 234 D HN 0.196 nan 8.370 nan 0.000 0.502 235 F N 0.269 120.277 119.950 0.098 0.000 2.884 235 F HA -0.287 4.247 4.527 0.012 0.000 0.294 235 F C 1.626 177.499 175.800 0.123 0.000 0.723 235 F CA 0.794 58.862 58.000 0.112 0.000 1.294 235 F CB -2.502 36.460 39.000 -0.063 0.000 1.551 235 F HN 0.181 nan 8.300 nan 0.000 0.363 236 S N -1.393 114.407 115.700 0.167 0.000 2.528 236 S HA 0.290 4.768 4.470 0.013 0.000 0.219 236 S C 0.659 175.312 174.600 0.090 0.000 0.985 236 S CA 0.134 58.406 58.200 0.120 0.000 0.914 236 S CB 0.411 63.657 63.200 0.076 0.000 0.776 236 S HN 0.467 nan 8.310 nan 0.000 0.526 237 R N 0.029 120.589 120.500 0.099 0.000 2.651 237 R HA 0.789 5.137 4.340 0.013 0.000 0.278 237 R C -1.316 175.017 176.300 0.054 0.000 1.010 237 R CA -0.152 55.974 56.100 0.043 0.000 0.896 237 R CB 2.277 32.577 30.300 -0.001 0.000 1.211 237 R HN 0.272 nan 8.270 nan 0.000 0.456 238 A N 1.600 124.395 122.820 -0.042 0.000 2.527 238 A HA 0.772 5.100 4.320 0.013 0.000 0.293 238 A C -1.418 176.079 177.584 -0.145 0.000 1.117 238 A CA -0.642 51.278 52.037 -0.195 0.000 0.723 238 A CB 2.014 20.887 19.000 -0.212 0.000 1.313 238 A HN 0.353 nan 8.150 nan 0.000 0.411 239 V N 1.489 121.289 119.914 -0.190 0.000 2.483 239 V HA 0.410 4.538 4.120 0.013 0.000 0.297 239 V C -0.564 175.467 176.094 -0.104 0.000 1.027 239 V CA -0.334 61.899 62.300 -0.112 0.000 0.855 239 V CB 1.406 33.164 31.823 -0.108 0.000 0.995 239 V HN 0.794 nan 8.190 nan 0.000 0.424 240 L N 4.869 126.072 121.223 -0.033 0.000 2.265 240 L HA 0.613 4.962 4.340 0.013 0.000 0.288 240 L C 0.001 176.833 176.870 -0.062 0.000 1.058 240 L CA 0.035 54.838 54.840 -0.062 0.000 0.809 240 L CB 0.982 43.031 42.059 -0.017 0.000 1.179 240 L HN 0.814 nan 8.230 nan 0.000 0.429 241 E N 4.781 124.938 120.200 -0.071 0.000 2.191 241 E HA 0.644 5.002 4.350 0.013 0.000 0.263 241 E C -1.531 175.059 176.600 -0.017 0.000 0.881 241 E CA -0.781 55.593 56.400 -0.043 0.000 0.757 241 E CB 1.766 31.438 29.700 -0.045 0.000 1.147 241 E HN 0.710 nan 8.360 nan 0.000 0.414 242 A N 4.625 127.441 122.820 -0.007 0.000 2.311 242 A HA 0.325 4.653 4.320 0.013 0.000 0.306 242 A C -0.650 176.938 177.584 0.006 0.000 1.189 242 A CA -0.686 51.369 52.037 0.030 0.000 0.791 242 A CB 1.126 20.142 19.000 0.027 0.000 1.172 242 A HN 0.756 nan 8.150 nan 0.000 0.481 243 E N 2.452 122.655 120.200 0.005 0.000 2.200 243 E HA 0.540 4.898 4.350 0.013 0.000 0.283 243 E C -1.286 175.273 176.600 -0.069 0.000 1.015 243 E CA -0.329 56.035 56.400 -0.061 0.000 0.819 243 E CB 1.077 30.709 29.700 -0.113 0.000 1.081 243 E HN 0.381 nan 8.360 nan 0.000 0.397 244 V N 4.707 124.596 119.914 -0.042 0.000 2.656 244 V HA 0.303 4.431 4.120 0.013 0.000 0.307 244 V C -0.538 175.609 176.094 0.087 0.000 1.051 244 V CA -0.803 61.517 62.300 0.033 0.000 0.893 244 V CB 1.813 33.640 31.823 0.008 0.000 0.999 244 V HN 0.750 nan 8.190 nan 0.000 0.426 245 Q N 3.984 123.847 119.800 0.106 0.000 2.377 245 Q HA 0.823 5.171 4.340 0.013 0.000 0.271 245 Q C -0.885 175.186 176.000 0.118 0.000 1.077 245 Q CA -0.885 54.982 55.803 0.106 0.000 0.820 245 Q CB 2.795 31.523 28.738 -0.016 0.000 1.347 245 Q HN 0.821 nan 8.270 nan 0.000 0.444 246 M N -0.903 118.699 119.600 0.003 0.000 2.716 246 M HA 0.769 5.257 4.480 0.013 0.000 0.307 246 M C -1.320 174.886 176.300 -0.157 0.000 1.223 246 M CA -0.470 54.747 55.300 -0.138 0.000 0.871 246 M CB 1.662 33.979 32.600 -0.471 0.000 1.739 246 M HN 0.509 nan 8.290 nan 0.000 0.475 247 C N 0.879 120.094 119.300 -0.141 0.000 2.634 247 C HA 1.032 5.501 4.460 0.013 0.000 0.313 247 C C 0.529 175.438 174.990 -0.135 0.000 1.198 247 C CA 0.542 59.492 59.018 -0.112 0.000 1.605 247 C CB 0.928 28.629 27.740 -0.066 0.000 2.196 247 C HN 1.397 nan 8.230 nan 0.000 0.486 248 G N 1.833 110.562 108.800 -0.118 0.000 2.373 248 G HA2 0.041 4.009 3.960 0.013 0.000 0.634 248 G HA3 0.041 4.009 3.960 0.013 0.000 0.634 248 G C -1.079 173.742 174.900 -0.133 0.000 1.267 248 G CA -0.557 44.474 45.100 -0.115 0.000 1.008 248 G HN 0.935 nan 8.290 nan 0.000 0.497 249 E N -0.137 119.992 120.200 -0.120 0.000 2.223 249 E HA 0.455 4.813 4.350 0.013 0.000 0.282 249 E C 0.463 176.951 176.600 -0.186 0.000 1.046 249 E CA -0.514 55.811 56.400 -0.124 0.000 0.857 249 E CB 0.310 29.961 29.700 -0.082 0.000 1.055 249 E HN 0.468 nan 8.360 nan 0.000 0.409 250 L N 4.956 126.062 121.223 -0.195 0.000 2.439 250 L HA 0.341 4.689 4.340 0.013 0.000 0.269 250 L C 0.556 177.278 176.870 -0.247 0.000 1.179 250 L CA 0.004 54.698 54.840 -0.243 0.000 0.828 250 L CB 0.542 42.483 42.059 -0.196 0.000 1.106 250 L HN 0.504 nan 8.230 nan 0.000 0.467 251 R N 1.305 121.599 120.500 -0.345 0.000 2.584 251 R HA 0.162 4.510 4.340 0.013 0.000 0.276 251 R C -0.488 175.550 176.300 -0.437 0.000 1.046 251 R CA -0.801 55.001 56.100 -0.498 0.000 0.906 251 R CB 1.828 31.537 30.300 -0.985 0.000 1.215 251 R HN 0.549 nan 8.270 nan 0.000 0.449 252 D N 1.137 121.383 120.400 -0.257 0.000 2.221 252 D HA -0.163 4.485 4.640 0.013 0.000 0.204 252 D C 1.523 177.793 176.300 -0.049 0.000 0.982 252 D CA 1.675 55.614 54.000 -0.100 0.000 0.857 252 D CB 0.021 40.812 40.800 -0.015 0.000 0.934 252 D HN 0.595 nan 8.370 nan 0.000 0.475 253 Y N -0.223 120.085 120.300 0.014 0.000 2.583 253 Y HA 0.256 4.814 4.550 0.014 0.000 0.293 253 Y C 0.739 176.639 175.900 0.000 0.000 1.157 253 Y CA -0.427 57.678 58.100 0.008 0.000 1.315 253 Y CB -0.904 37.561 38.460 0.009 0.000 1.021 253 Y HN -0.186 nan 8.280 nan 0.000 0.536 254 L N 2.174 123.347 121.223 -0.083 0.000 2.452 254 L HA 0.352 4.700 4.340 0.013 0.000 0.267 254 L C 0.268 177.133 176.870 -0.008 0.000 1.188 254 L CA -0.305 54.559 54.840 0.039 0.000 0.821 254 L CB 0.476 42.575 42.059 0.066 0.000 1.102 254 L HN 0.131 nan 8.230 nan 0.000 0.470 255 R N 1.088 121.476 120.500 -0.186 0.000 2.799 255 R HA 0.707 5.056 4.340 0.013 0.000 0.270 255 R C -1.544 174.446 176.300 -0.516 0.000 1.010 255 R CA -0.821 55.042 56.100 -0.396 0.000 0.916 255 R CB 2.090 32.064 30.300 -0.542 0.000 1.228 255 R HN 0.275 nan 8.270 nan 0.000 0.469 256 V N 0.701 120.350 119.914 -0.440 0.000 2.656 256 V HA 0.529 4.657 4.120 0.013 0.000 0.307 256 V C -0.349 175.708 176.094 -0.062 0.000 1.051 256 V CA -0.547 61.590 62.300 -0.271 0.000 0.893 256 V CB 2.359 33.945 31.823 -0.396 0.000 0.999 256 V HN 0.719 nan 8.190 nan 0.000 0.426 257 T N 3.714 118.338 114.554 0.117 0.000 2.841 257 T HA 0.658 5.016 4.350 0.013 0.000 0.283 257 T C -0.797 173.912 174.700 0.014 0.000 1.000 257 T CA -0.363 61.794 62.100 0.096 0.000 0.977 257 T CB 1.769 70.727 68.868 0.149 0.000 0.979 257 T HN 0.356 nan 8.240 nan 0.000 0.446 258 V N 2.945 122.848 119.914 -0.018 0.000 2.487 258 V HA 0.608 4.736 4.120 0.013 0.000 0.298 258 V C -0.232 175.855 176.094 -0.012 0.000 1.028 258 V CA -0.637 61.649 62.300 -0.025 0.000 0.860 258 V CB 1.979 33.776 31.823 -0.044 0.000 0.991 258 V HN 0.933 nan 8.190 nan 0.000 0.427 259 S N 4.530 120.249 115.700 0.031 0.000 2.513 259 S HA 0.773 5.251 4.470 0.013 0.000 0.299 259 S C -0.918 173.714 174.600 0.054 0.000 1.087 259 S CA -0.469 57.733 58.200 0.003 0.000 1.012 259 S CB 1.829 65.094 63.200 0.109 0.000 1.044 259 S HN 0.582 nan 8.310 nan 0.000 0.485 260 L N 2.934 124.095 121.223 -0.103 0.000 2.341 260 L HA 0.750 5.098 4.340 0.013 0.000 0.278 260 L C -2.010 174.825 176.870 -0.058 0.000 1.005 260 L CA -0.132 54.742 54.840 0.056 0.000 0.818 260 L CB 0.738 42.833 42.059 0.061 0.000 1.259 260 L HN 0.722 nan 8.230 nan 0.000 0.418 261 W N 3.353 124.755 121.300 0.170 0.000 2.761 261 W HA 0.600 5.268 4.660 0.013 0.000 0.340 261 W C -0.630 176.003 176.519 0.189 0.000 1.072 261 W CA -0.448 56.984 57.345 0.145 0.000 1.215 261 W CB 1.491 30.983 29.460 0.054 0.000 1.420 261 W HN 0.436 nan 8.180 nan 0.000 0.519 262 Q N 2.421 122.416 119.800 0.325 0.000 2.456 262 Q HA 0.494 4.842 4.340 0.013 0.000 0.252 262 Q C 0.694 176.751 176.000 0.095 0.000 1.042 262 Q CA 0.399 56.242 55.803 0.067 0.000 0.766 262 Q CB 0.629 29.364 28.738 -0.005 0.000 1.196 262 Q HN 0.771 nan 8.270 nan 0.000 0.504 263 G N 3.061 111.902 108.800 0.069 0.000 2.582 263 G HA2 -0.369 3.599 3.960 0.013 0.000 0.288 263 G HA3 -0.369 3.599 3.960 0.013 0.000 0.288 263 G C 0.172 175.163 174.900 0.152 0.000 1.247 263 G CA 0.371 45.509 45.100 0.064 0.000 0.972 263 G HN 0.769 nan 8.290 nan 0.000 0.557 264 E N 0.436 120.711 120.200 0.125 0.000 2.463 264 E HA 0.199 4.557 4.350 0.013 0.000 0.191 264 E C 0.298 177.122 176.600 0.373 0.000 1.083 264 E CA 0.613 57.129 56.400 0.194 0.000 0.872 264 E CB 0.032 29.783 29.700 0.086 0.000 0.966 264 E HN 0.298 nan 8.360 nan 0.000 0.491 265 T N 1.637 116.380 114.554 0.316 0.000 2.771 265 T HA 0.098 4.456 4.350 0.013 0.000 0.281 265 T C -0.309 174.431 174.700 0.067 0.000 0.982 265 T CA -0.505 61.704 62.100 0.181 0.000 0.978 265 T CB 1.629 70.541 68.868 0.073 0.000 0.930 265 T HN 0.066 nan 8.240 nan 0.000 0.447 266 Q N 3.224 122.808 119.800 -0.359 0.000 2.344 266 Q HA 0.252 4.601 4.340 0.013 0.000 0.253 266 Q C 1.104 176.830 176.000 -0.458 0.000 1.050 266 Q CA -0.394 54.818 55.803 -0.985 0.000 0.912 266 Q CB 0.615 28.508 28.738 -1.408 0.000 1.258 266 Q HN 0.705 nan 8.270 nan 0.000 0.443 267 V N 1.710 121.446 119.914 -0.297 0.000 2.878 267 V HA 0.481 4.609 4.120 0.013 0.000 0.250 267 V C 0.239 176.236 176.094 -0.162 0.000 1.075 267 V CA 1.117 63.331 62.300 -0.145 0.000 1.096 267 V CB 0.105 31.930 31.823 0.003 0.000 0.724 267 V HN 0.657 nan 8.190 nan 0.000 0.467 268 A N -0.959 121.737 122.820 -0.206 0.000 2.608 268 A HA 0.800 5.128 4.320 0.013 0.000 0.292 268 A C -0.641 176.838 177.584 -0.175 0.000 1.066 268 A CA 0.177 52.121 52.037 -0.156 0.000 0.676 268 A CB 1.507 20.445 19.000 -0.103 0.000 1.277 268 A HN 0.658 nan 8.150 nan 0.000 0.413 269 S N -1.175 114.447 115.700 -0.129 0.000 2.565 269 S HA 0.831 5.309 4.470 0.013 0.000 0.269 269 S C -0.620 173.938 174.600 -0.071 0.000 1.153 269 S CA 0.170 58.306 58.200 -0.107 0.000 0.835 269 S CB 1.826 64.951 63.200 -0.124 0.000 1.122 269 S HN 2.298 nan 8.310 nan 0.000 0.462 270 G N 1.355 110.123 108.800 -0.053 0.000 2.746 270 G HA2 0.617 4.585 3.960 0.013 0.000 0.297 270 G HA3 0.617 4.585 3.960 0.013 0.000 0.297 270 G C -1.431 173.450 174.900 -0.032 0.000 1.426 270 G CA -0.343 44.730 45.100 -0.045 0.000 0.989 270 G HN 0.675 nan 8.290 nan 0.000 0.520 271 T N -0.031 114.508 114.554 -0.026 0.000 2.893 271 T HA 0.874 5.232 4.350 0.013 0.000 0.293 271 T C -0.271 174.400 174.700 -0.048 0.000 1.027 271 T CA 0.062 62.157 62.100 -0.009 0.000 0.988 271 T CB 1.822 70.716 68.868 0.043 0.000 1.043 271 T HN 1.597 nan 8.240 nan 0.000 0.461 272 A N 3.405 126.166 122.820 -0.098 0.000 2.601 272 A HA 0.907 5.235 4.320 0.013 0.000 0.291 272 A C -3.124 174.345 177.584 -0.193 0.000 1.075 272 A CA -1.454 50.510 52.037 -0.122 0.000 0.671 272 A CB 1.176 20.103 19.000 -0.122 0.000 1.277 272 A HN 0.534 nan 8.150 nan 0.000 0.417 273 P HA 0.588 nan 4.420 nan 0.000 0.281 273 P C -0.612 176.579 177.300 -0.181 0.000 1.281 273 P CA -0.396 62.624 63.100 -0.134 0.000 0.811 273 P CB 0.374 32.052 31.700 -0.038 0.000 1.154 274 F N -0.271 119.640 119.950 -0.066 0.000 2.496 274 F HA 0.457 4.992 4.527 0.013 0.000 0.344 274 F C 1.488 177.270 175.800 -0.030 0.000 1.155 274 F CA 1.622 59.593 58.000 -0.049 0.000 1.302 274 F CB 0.109 39.074 39.000 -0.058 0.000 1.159 274 F HN 0.574 nan 8.300 nan 0.000 0.595 275 G N 1.604 110.507 108.800 0.172 0.000 2.648 275 G HA2 0.351 4.319 3.960 0.013 0.000 0.317 275 G HA3 0.351 4.319 3.960 0.013 0.000 0.317 275 G C -0.429 174.514 174.900 0.072 0.000 1.216 275 G CA -0.734 44.431 45.100 0.108 0.000 1.210 275 G HN 1.037 nan 8.290 nan 0.000 0.583 276 G N 1.046 109.909 108.800 0.104 0.000 2.616 276 G HA2 0.652 4.620 3.960 0.013 0.000 0.268 276 G HA3 0.652 4.620 3.960 0.013 0.000 0.268 276 G C 0.513 175.450 174.900 0.063 0.000 1.213 276 G CA 0.016 45.169 45.100 0.089 0.000 0.926 276 G HN 0.946 nan 8.290 nan 0.000 0.523 277 E N -0.320 119.910 120.200 0.050 0.000 2.409 277 E HA 0.080 4.438 4.350 0.013 0.000 0.257 277 E C 0.060 176.679 176.600 0.032 0.000 1.150 277 E CA -0.448 55.970 56.400 0.031 0.000 0.942 277 E CB 0.775 30.490 29.700 0.026 0.000 0.979 277 E HN 0.308 nan 8.360 nan 0.000 0.447 278 I N 1.317 121.895 120.570 0.013 0.000 2.648 278 I HA -0.093 4.085 4.170 0.013 0.000 0.284 278 I C 1.396 177.516 176.117 0.005 0.000 1.153 278 I CA 0.334 61.634 61.300 0.000 0.000 1.426 278 I CB 0.220 38.216 38.000 -0.007 0.000 1.381 278 I HN 0.567 nan 8.210 nan 0.000 0.571 279 I N 0.906 121.471 120.570 -0.008 0.000 4.244 279 I HA 0.350 4.528 4.170 0.013 0.000 0.318 279 I C -0.165 175.946 176.117 -0.010 0.000 1.282 279 I CA 0.030 61.334 61.300 0.006 0.000 1.276 279 I CB 0.408 38.433 38.000 0.042 0.000 1.183 279 I HN 0.606 nan 8.210 nan 0.000 0.431 280 D N -0.433 119.948 120.400 -0.032 0.000 2.838 280 D HA 0.191 4.839 4.640 0.013 0.000 0.334 280 D C 0.283 176.563 176.300 -0.034 0.000 1.315 280 D CA -0.512 53.471 54.000 -0.028 0.000 0.917 280 D CB 0.447 41.229 40.800 -0.030 0.000 1.435 280 D HN -0.121 nan 8.370 nan 0.000 0.517 281 E N -0.911 119.272 120.200 -0.028 0.000 2.273 281 E HA -0.081 4.277 4.350 0.013 0.000 0.198 281 E C 1.148 177.727 176.600 -0.035 0.000 1.002 281 E CA 1.015 57.399 56.400 -0.026 0.000 0.828 281 E CB -0.096 29.592 29.700 -0.020 0.000 0.747 281 E HN 0.227 nan 8.360 nan 0.000 0.491 282 R N -0.179 120.291 120.500 -0.050 0.000 2.388 282 R HA 0.322 4.670 4.340 0.013 0.000 0.247 282 R C 0.734 176.991 176.300 -0.072 0.000 0.931 282 R CA 0.629 56.693 56.100 -0.059 0.000 1.082 282 R CB 0.553 30.811 30.300 -0.070 0.000 1.135 282 R HN 0.207 nan 8.270 nan 0.000 0.525 283 G N -0.550 108.208 108.800 -0.069 0.000 2.384 283 G HA2 -0.118 3.851 3.960 0.013 0.000 0.200 283 G HA3 -0.118 3.851 3.960 0.013 0.000 0.200 283 G C -0.223 174.620 174.900 -0.094 0.000 1.205 283 G CA -0.625 44.434 45.100 -0.069 0.000 1.116 283 G HN 0.455 nan 8.290 nan 0.000 0.547 284 G N -2.070 106.671 108.800 -0.099 0.000 3.176 284 G HA2 0.636 4.604 3.960 0.013 0.000 0.272 284 G HA3 0.636 4.604 3.960 0.013 0.000 0.272 284 G C -1.602 173.201 174.900 -0.160 0.000 1.349 284 G CA -0.707 44.335 45.100 -0.098 0.000 0.953 284 G HN 0.786 nan 8.290 nan 0.000 0.559 285 Y N 1.086 121.396 120.300 0.018 0.000 2.477 285 Y HA 0.428 4.986 4.550 0.013 0.000 0.349 285 Y C 1.428 177.349 175.900 0.036 0.000 0.977 285 Y CA 0.039 58.153 58.100 0.023 0.000 1.214 285 Y CB 1.758 40.237 38.460 0.031 0.000 1.124 285 Y HN 0.540 nan 8.280 nan 0.000 0.521 286 A N 1.713 124.604 122.820 0.118 0.000 2.119 286 A HA -0.132 4.196 4.320 0.013 0.000 0.217 286 A C 1.317 178.964 177.584 0.105 0.000 1.153 286 A CA 1.351 53.441 52.037 0.089 0.000 0.692 286 A CB -0.242 18.770 19.000 0.020 0.000 0.799 286 A HN 0.790 nan 8.150 nan 0.000 0.458 287 D N -0.898 119.568 120.400 0.109 0.000 2.388 287 D HA 0.156 4.804 4.640 0.013 0.000 0.221 287 D C 0.491 176.887 176.300 0.161 0.000 1.133 287 D CA -0.037 53.950 54.000 -0.023 0.000 0.831 287 D CB 0.038 40.807 40.800 -0.052 0.000 0.962 287 D HN 0.394 nan 8.370 nan 0.000 0.502 288 R N -0.801 119.900 120.500 0.336 0.000 2.836 288 R HA 0.765 5.113 4.340 0.013 0.000 0.269 288 R C -1.570 174.872 176.300 0.236 0.000 1.010 288 R CA -1.135 55.148 56.100 0.306 0.000 0.930 288 R CB 3.029 33.376 30.300 0.080 0.000 1.218 288 R HN -0.029 nan 8.270 nan 0.000 0.473 289 V N 0.056 119.997 119.914 0.045 0.000 3.147 289 V HA 0.497 4.625 4.120 0.013 0.000 0.299 289 V C -1.623 174.420 176.094 -0.085 0.000 1.302 289 V CA -0.308 61.945 62.300 -0.079 0.000 1.015 289 V CB 2.810 34.457 31.823 -0.293 0.000 1.086 289 V HN 0.812 nan 8.190 nan 0.000 0.437 290 T N 6.950 121.463 114.554 -0.067 0.000 2.792 290 T HA 0.622 4.980 4.350 0.013 0.000 0.280 290 T C -1.001 173.661 174.700 -0.063 0.000 0.990 290 T CA -0.408 61.659 62.100 -0.055 0.000 0.960 290 T CB 1.108 69.957 68.868 -0.030 0.000 0.939 290 T HN 0.458 nan 8.240 nan 0.000 0.439 291 L N 3.457 124.643 121.223 -0.062 0.000 2.325 291 L HA 0.588 4.936 4.340 0.013 0.000 0.278 291 L C 0.371 177.213 176.870 -0.047 0.000 1.023 291 L CA -0.518 54.285 54.840 -0.062 0.000 0.811 291 L CB 1.588 43.607 42.059 -0.065 0.000 1.249 291 L HN 0.547 nan 8.230 nan 0.000 0.431 292 R N 3.130 123.602 120.500 -0.046 0.000 2.439 292 R HA 0.632 4.981 4.340 0.013 0.000 0.310 292 R C -1.346 174.928 176.300 -0.044 0.000 0.955 292 R CA -0.913 55.160 56.100 -0.044 0.000 0.853 292 R CB 2.090 32.364 30.300 -0.042 0.000 1.171 292 R HN 0.253 nan 8.270 nan 0.000 0.449 293 L N 2.749 123.947 121.223 -0.041 0.000 2.341 293 L HA 0.362 4.710 4.340 0.013 0.000 0.278 293 L C -0.311 176.533 176.870 -0.043 0.000 1.005 293 L CA -0.405 54.410 54.840 -0.042 0.000 0.818 293 L CB 1.804 43.843 42.059 -0.033 0.000 1.259 293 L HN 0.509 nan 8.230 nan 0.000 0.418 294 N N 1.623 120.291 118.700 -0.053 0.000 2.499 294 N HA 0.619 5.367 4.740 0.013 0.000 0.281 294 N C -1.271 174.194 175.510 -0.075 0.000 1.098 294 N CA -0.405 52.610 53.050 -0.059 0.000 0.979 294 N CB 1.553 40.007 38.487 -0.054 0.000 1.121 294 N HN 0.221 nan 8.380 nan 0.000 0.466 295 V N 1.779 121.635 119.914 -0.096 0.000 2.525 295 V HA 0.253 4.381 4.120 0.013 0.000 0.299 295 V C -0.452 175.560 176.094 -0.136 0.000 1.034 295 V CA -0.925 61.282 62.300 -0.155 0.000 0.863 295 V CB 1.556 33.194 31.823 -0.308 0.000 0.999 295 V HN 0.573 nan 8.190 nan 0.000 0.423 296 E N 2.721 122.862 120.200 -0.099 0.000 2.301 296 E HA 0.273 4.631 4.350 0.013 0.000 0.275 296 E C 0.230 176.801 176.600 -0.049 0.000 1.030 296 E CA -0.362 56.004 56.400 -0.057 0.000 0.852 296 E CB 0.526 30.203 29.700 -0.038 0.000 1.060 296 E HN 0.762 nan 8.360 nan 0.000 0.401 297 N N 1.154 119.848 118.700 -0.009 0.000 2.686 297 N HA -0.156 4.592 4.740 0.013 0.000 0.261 297 N C -2.450 173.059 175.510 -0.001 0.000 1.001 297 N CA 0.182 53.242 53.050 0.016 0.000 0.764 297 N CB -1.018 37.482 38.487 0.020 0.000 0.898 297 N HN 0.324 nan 8.380 nan 0.000 0.544 298 P HA 0.047 nan 4.420 nan 0.000 0.272 298 P C -0.378 176.956 177.300 0.057 0.000 1.223 298 P CA 0.119 63.139 63.100 -0.134 0.000 0.784 298 P CB 0.838 32.238 31.700 -0.500 0.000 0.923 299 K N 2.282 122.801 120.400 0.197 0.000 2.312 299 K HA 0.299 4.627 4.320 0.013 0.000 0.287 299 K C 0.170 176.932 176.600 0.270 0.000 1.062 299 K CA -0.399 56.000 56.287 0.187 0.000 0.934 299 K CB 0.316 32.897 32.500 0.135 0.000 1.027 299 K HN 0.439 nan 8.250 nan 0.000 0.478 300 L N 2.443 123.745 121.223 0.133 0.000 2.375 300 L HA 0.338 4.686 4.340 0.013 0.000 0.271 300 L C -0.044 176.891 176.870 0.108 0.000 1.107 300 L CA -0.875 54.032 54.840 0.112 0.000 0.806 300 L CB 0.444 42.406 42.059 -0.163 0.000 1.146 300 L HN 0.598 nan 8.230 nan 0.000 0.447 301 W N 3.046 124.353 121.300 0.013 0.000 2.417 301 W HA 0.527 5.194 4.660 0.012 0.000 0.317 301 W C -0.075 176.386 176.519 -0.096 0.000 1.121 301 W CA 0.052 57.401 57.345 0.006 0.000 1.208 301 W CB 1.388 30.906 29.460 0.098 0.000 1.253 301 W HN 0.641 nan 8.180 nan 0.000 0.533 302 S N 3.012 118.145 115.700 -0.946 0.000 2.643 302 S HA 0.628 5.106 4.470 0.013 0.000 0.270 302 S C 0.079 173.875 174.600 -1.340 0.000 1.166 302 S CA -0.364 57.321 58.200 -0.859 0.000 0.815 302 S CB 1.079 64.032 63.200 -0.412 0.000 1.139 302 S HN 1.014 nan 8.310 nan 0.000 0.472 303 A N 0.568 122.766 122.820 -1.037 0.000 2.015 303 A HA 0.053 4.381 4.320 0.013 0.000 0.219 303 A C 1.763 179.006 177.584 -0.569 0.000 1.163 303 A CA 1.476 52.931 52.037 -0.970 0.000 0.646 303 A CB -1.035 17.305 19.000 -1.101 0.000 0.806 303 A HN 0.882 nan 8.150 nan 0.000 0.448 304 E N -0.623 119.377 120.200 -0.332 0.000 2.051 304 E HA -0.048 4.310 4.350 0.013 0.000 0.192 304 E C -0.189 176.259 176.600 -0.254 0.000 0.991 304 E CA 0.864 57.132 56.400 -0.222 0.000 0.799 304 E CB -0.092 29.600 29.700 -0.013 0.000 0.748 304 E HN 0.625 nan 8.360 nan 0.000 0.449 305 I N 1.504 121.901 120.570 -0.287 0.000 2.595 305 I HA 0.140 4.318 4.170 0.013 0.000 0.276 305 I C -2.459 173.429 176.117 -0.381 0.000 1.109 305 I CA -1.834 59.319 61.300 -0.245 0.000 1.084 305 I CB 2.239 40.153 38.000 -0.144 0.000 1.206 305 I HN -0.196 nan 8.210 nan 0.000 0.486 306 P HA 0.038 nan 4.420 nan 0.000 0.232 306 P C -0.556 176.705 177.300 -0.064 0.000 1.738 306 P CA -0.179 62.601 63.100 -0.534 0.000 0.948 306 P CB -0.334 31.202 31.700 -0.273 0.000 1.943 307 N N 1.553 120.244 118.700 -0.015 0.000 2.412 307 N HA 0.070 4.818 4.740 0.013 0.000 0.258 307 N C 0.173 175.891 175.510 0.348 0.000 1.236 307 N CA 0.613 53.740 53.050 0.129 0.000 0.882 307 N CB 0.681 39.239 38.487 0.118 0.000 1.066 307 N HN 0.320 nan 8.380 nan 0.000 0.465 308 L N 2.171 123.515 121.223 0.203 0.000 2.371 308 L HA 0.485 4.833 4.340 0.013 0.000 0.262 308 L C -0.808 176.140 176.870 0.129 0.000 1.006 308 L CA -0.860 54.155 54.840 0.290 0.000 0.818 308 L CB 1.347 43.547 42.059 0.235 0.000 1.354 308 L HN 0.383 nan 8.230 nan 0.000 0.415 309 Y N 0.067 120.513 120.300 0.243 0.000 2.675 309 Y HA 0.675 5.233 4.550 0.014 0.000 0.328 309 Y C -0.243 175.769 175.900 0.187 0.000 1.092 309 Y CA -0.853 57.389 58.100 0.238 0.000 1.190 309 Y CB 1.572 40.236 38.460 0.340 0.000 1.350 309 Y HN 0.369 nan 8.280 nan 0.000 0.525 310 R N 0.873 121.599 120.500 0.378 0.000 2.480 310 R HA 0.799 5.147 4.340 0.013 0.000 0.306 310 R C -1.695 174.782 176.300 0.295 0.000 0.958 310 R CA -0.511 55.737 56.100 0.246 0.000 0.861 310 R CB 1.136 31.507 30.300 0.118 0.000 1.171 310 R HN 0.733 nan 8.270 nan 0.000 0.445 311 A N 3.799 126.733 122.820 0.190 0.000 2.288 311 A HA 0.642 4.970 4.320 0.013 0.000 0.320 311 A C -1.091 176.532 177.584 0.064 0.000 1.217 311 A CA -0.646 51.483 52.037 0.153 0.000 0.840 311 A CB 1.332 20.387 19.000 0.093 0.000 1.179 311 A HN 0.481 nan 8.150 nan 0.000 0.504 312 V N 3.308 123.266 119.914 0.073 0.000 2.448 312 V HA 0.404 4.532 4.120 0.013 0.000 0.295 312 V C -0.406 175.646 176.094 -0.070 0.000 1.025 312 V CA -0.509 61.769 62.300 -0.037 0.000 0.859 312 V CB 1.647 33.455 31.823 -0.025 0.000 0.988 312 V HN 0.625 nan 8.190 nan 0.000 0.431 313 V N 4.825 124.628 119.914 -0.185 0.000 2.334 313 V HA 0.429 4.557 4.120 0.013 0.000 0.281 313 V C -0.066 175.963 176.094 -0.110 0.000 1.016 313 V CA -0.578 61.598 62.300 -0.206 0.000 0.832 313 V CB 1.310 32.847 31.823 -0.476 0.000 0.999 313 V HN 0.929 nan 8.190 nan 0.000 0.439 314 E N 3.860 124.051 120.200 -0.014 0.000 2.179 314 E HA 0.516 4.875 4.350 0.013 0.000 0.275 314 E C -1.055 175.634 176.600 0.148 0.000 0.945 314 E CA -0.907 55.536 56.400 0.072 0.000 0.792 314 E CB 2.451 32.212 29.700 0.102 0.000 1.125 314 E HN 0.425 nan 8.360 nan 0.000 0.397 315 L N 4.632 125.926 121.223 0.119 0.000 2.262 315 L HA 0.378 4.726 4.340 0.013 0.000 0.288 315 L C -0.987 175.979 176.870 0.161 0.000 1.035 315 L CA 0.061 54.964 54.840 0.105 0.000 0.820 315 L CB -0.286 41.823 42.059 0.083 0.000 1.204 315 L HN 0.712 nan 8.230 nan 0.000 0.424 316 H N 0.450 119.565 119.070 0.074 0.000 2.984 316 H HA 0.809 5.373 4.556 0.013 0.000 0.277 316 H C -0.762 174.638 175.328 0.121 0.000 1.502 316 H CA -0.460 55.634 56.048 0.078 0.000 1.195 316 H CB 0.844 30.631 29.762 0.042 0.000 1.866 316 H HN 0.442 nan 8.280 nan 0.000 0.594 317 T N -2.195 112.483 114.554 0.205 0.000 2.943 317 T HA 0.573 4.931 4.350 0.013 0.000 0.284 317 T C 1.331 176.155 174.700 0.206 0.000 1.015 317 T CA -0.369 61.841 62.100 0.183 0.000 1.042 317 T CB 1.581 70.522 68.868 0.122 0.000 1.055 317 T HN 0.950 nan 8.240 nan 0.000 0.500 318 A N 1.153 124.060 122.820 0.145 0.000 1.940 318 A HA -0.060 4.268 4.320 0.013 0.000 0.219 318 A C 1.678 179.338 177.584 0.126 0.000 1.176 318 A CA 1.840 53.955 52.037 0.131 0.000 0.631 318 A CB -1.129 17.930 19.000 0.098 0.000 0.814 318 A HN 0.928 nan 8.150 nan 0.000 0.446 319 D N -1.714 118.739 120.400 0.089 0.000 2.324 319 D HA 0.353 5.001 4.640 0.013 0.000 0.235 319 D C 1.121 177.456 176.300 0.058 0.000 1.095 319 D CA 1.149 55.181 54.000 0.053 0.000 0.871 319 D CB 0.007 40.813 40.800 0.011 0.000 0.906 319 D HN 0.585 nan 8.370 nan 0.000 0.522 320 G N -0.293 108.576 108.800 0.116 0.000 2.144 320 G HA2 -0.237 3.731 3.960 0.013 0.000 0.218 320 G HA3 -0.237 3.731 3.960 0.013 0.000 0.218 320 G C 0.477 175.409 174.900 0.054 0.000 0.988 320 G CA -0.092 45.046 45.100 0.064 0.000 0.659 320 G HN 0.291 nan 8.290 nan 0.000 0.522 321 T N 1.092 115.697 114.554 0.085 0.000 2.806 321 T HA 0.559 4.918 4.350 0.013 0.000 0.290 321 T C 0.169 174.937 174.700 0.114 0.000 0.966 321 T CA -0.270 61.868 62.100 0.063 0.000 1.060 321 T CB 1.913 70.799 68.868 0.030 0.000 0.927 321 T HN 0.556 nan 8.240 nan 0.000 0.485 322 L N 4.270 125.541 121.223 0.081 0.000 2.349 322 L HA 0.428 4.776 4.340 0.013 0.000 0.275 322 L C 0.612 177.539 176.870 0.094 0.000 1.115 322 L CA 0.287 55.190 54.840 0.105 0.000 0.820 322 L CB 0.363 42.455 42.059 0.055 0.000 1.135 322 L HN 0.697 nan 8.230 nan 0.000 0.445 323 I N 2.516 123.149 120.570 0.105 0.000 2.556 323 I HA 0.149 4.327 4.170 0.013 0.000 0.251 323 I C 0.256 176.394 176.117 0.035 0.000 1.105 323 I CA 0.561 61.900 61.300 0.065 0.000 1.436 323 I CB 0.178 38.220 38.000 0.069 0.000 1.139 323 I HN 0.831 nan 8.210 nan 0.000 0.438 324 E N -0.288 119.936 120.200 0.040 0.000 2.417 324 E HA 0.708 5.067 4.350 0.013 0.000 0.280 324 E C -1.531 175.089 176.600 0.033 0.000 1.112 324 E CA -1.137 55.276 56.400 0.022 0.000 0.863 324 E CB 1.421 31.097 29.700 -0.040 0.000 1.346 324 E HN -0.059 nan 8.360 nan 0.000 0.443 325 A N 1.004 123.860 122.820 0.061 0.000 2.475 325 A HA 0.704 5.033 4.320 0.013 0.000 0.301 325 A C -1.129 176.545 177.584 0.150 0.000 1.059 325 A CA -0.742 51.333 52.037 0.063 0.000 0.710 325 A CB 1.768 20.809 19.000 0.068 0.000 1.288 325 A HN 0.499 nan 8.150 nan 0.000 0.408 326 E N -0.303 119.921 120.200 0.039 0.000 2.359 326 E HA 0.829 5.187 4.350 0.013 0.000 0.266 326 E C -0.568 176.051 176.600 0.031 0.000 0.920 326 E CA -0.601 55.883 56.400 0.140 0.000 0.788 326 E CB 2.448 32.148 29.700 -0.000 0.000 1.279 326 E HN 1.173 nan 8.360 nan 0.000 0.438 327 A N 0.051 123.027 122.820 0.260 0.000 2.610 327 A HA 0.729 5.057 4.320 0.013 0.000 0.291 327 A C -1.054 176.712 177.584 0.304 0.000 1.086 327 A CA -0.503 51.596 52.037 0.103 0.000 0.677 327 A CB 0.910 19.854 19.000 -0.093 0.000 1.278 327 A HN 0.836 nan 8.150 nan 0.000 0.414 328 C N -0.419 119.010 119.300 0.214 0.000 3.288 328 C HA 0.823 5.291 4.460 0.013 0.000 0.318 328 C C -1.254 173.824 174.990 0.146 0.000 1.356 328 C CA -0.890 58.265 59.018 0.227 0.000 1.359 328 C CB 1.112 29.020 27.740 0.280 0.000 1.688 328 C HN 0.813 nan 8.230 nan 0.000 0.467 329 D N 0.945 121.418 120.400 0.123 0.000 2.302 329 D HA 0.564 5.212 4.640 0.013 0.000 0.248 329 D C -0.382 175.975 176.300 0.094 0.000 1.094 329 D CA 0.169 54.244 54.000 0.125 0.000 0.897 329 D CB 1.804 42.679 40.800 0.126 0.000 1.200 329 D HN 0.558 nan 8.370 nan 0.000 0.429 330 V N 1.037 121.036 119.914 0.140 0.000 2.540 330 V HA 0.660 4.788 4.120 0.013 0.000 0.302 330 V C 0.500 176.666 176.094 0.120 0.000 1.035 330 V CA -0.855 61.475 62.300 0.050 0.000 0.873 330 V CB 2.080 33.908 31.823 0.008 0.000 0.992 330 V HN 0.602 nan 8.190 nan 0.000 0.428 331 G N 3.150 111.920 108.800 -0.050 0.000 2.502 331 G HA2 0.597 4.565 3.960 0.013 0.000 0.311 331 G HA3 0.597 4.565 3.960 0.013 0.000 0.311 331 G C -0.945 174.022 174.900 0.111 0.000 1.270 331 G CA -0.385 44.764 45.100 0.082 0.000 0.948 331 G HN 0.431 nan 8.290 nan 0.000 0.487 332 F N 3.978 124.115 119.950 0.312 0.000 2.462 332 F HA 0.398 4.932 4.527 0.013 0.000 0.360 332 F C 1.192 177.217 175.800 0.374 0.000 1.134 332 F CA -0.014 58.222 58.000 0.393 0.000 1.148 332 F CB 0.628 39.885 39.000 0.428 0.000 1.147 332 F HN 0.441 nan 8.300 nan 0.000 0.550 333 R N 3.214 123.985 120.500 0.452 0.000 2.629 333 R HA 0.424 4.772 4.340 0.013 0.000 0.266 333 R C -1.814 174.645 176.300 0.265 0.000 1.051 333 R CA -0.795 55.432 56.100 0.212 0.000 0.895 333 R CB 1.684 32.134 30.300 0.250 0.000 1.246 333 R HN 0.600 nan 8.270 nan 0.000 0.459 334 E N 2.223 122.489 120.200 0.110 0.000 2.183 334 E HA 0.486 4.844 4.350 0.013 0.000 0.271 334 E C -1.275 175.406 176.600 0.135 0.000 0.919 334 E CA -0.940 55.609 56.400 0.249 0.000 0.781 334 E CB 2.165 32.092 29.700 0.379 0.000 1.140 334 E HN 0.400 nan 8.360 nan 0.000 0.402 335 V N 5.311 125.298 119.914 0.121 0.000 2.444 335 V HA 0.553 4.681 4.120 0.013 0.000 0.294 335 V C -0.284 175.856 176.094 0.076 0.000 1.022 335 V CA -0.679 61.661 62.300 0.067 0.000 0.850 335 V CB 1.206 33.045 31.823 0.026 0.000 0.992 335 V HN 0.747 nan 8.190 nan 0.000 0.426 336 R N 4.333 124.875 120.500 0.071 0.000 2.739 336 R HA 0.776 5.124 4.340 0.013 0.000 0.271 336 R C -1.995 174.337 176.300 0.052 0.000 1.010 336 R CA -0.946 55.196 56.100 0.071 0.000 0.897 336 R CB 2.119 32.475 30.300 0.093 0.000 1.236 336 R HN 0.505 nan 8.270 nan 0.000 0.466 337 I N 1.191 121.791 120.570 0.049 0.000 2.378 337 I HA 0.369 4.547 4.170 0.013 0.000 0.291 337 I C -0.760 175.383 176.117 0.042 0.000 0.992 337 I CA -0.502 60.821 61.300 0.038 0.000 1.154 337 I CB 1.941 39.964 38.000 0.039 0.000 1.315 337 I HN 0.747 nan 8.210 nan 0.000 0.448 338 E N 5.889 126.111 120.200 0.036 0.000 2.304 338 E HA 0.273 4.632 4.350 0.013 0.000 0.277 338 E C -0.248 176.369 176.600 0.029 0.000 0.898 338 E CA -0.510 55.913 56.400 0.038 0.000 0.764 338 E CB 1.113 30.841 29.700 0.047 0.000 1.216 338 E HN 0.524 nan 8.360 nan 0.000 0.419 339 N N 2.975 121.691 118.700 0.027 0.000 2.714 339 N HA -0.226 4.522 4.740 0.013 0.000 0.250 339 N C 0.506 176.026 175.510 0.016 0.000 1.117 339 N CA 2.254 55.317 53.050 0.021 0.000 0.719 339 N CB -1.182 37.317 38.487 0.019 0.000 1.081 339 N HN 1.046 nan 8.380 nan 0.000 0.557 340 G N -2.314 106.495 108.800 0.017 0.000 2.175 340 G HA2 -0.277 3.691 3.960 0.013 0.000 0.244 340 G HA3 -0.277 3.691 3.960 0.013 0.000 0.244 340 G C -0.104 174.796 174.900 -0.000 0.000 0.982 340 G CA 0.429 45.535 45.100 0.010 0.000 0.641 340 G HN 0.437 nan 8.290 nan 0.000 0.527 341 L N 0.367 121.590 121.223 0.000 0.000 2.346 341 L HA 0.698 5.046 4.340 0.013 0.000 0.276 341 L C 0.118 176.983 176.870 -0.009 0.000 1.006 341 L CA -1.297 53.536 54.840 -0.012 0.000 0.817 341 L CB 1.874 43.927 42.059 -0.010 0.000 1.272 341 L HN 0.110 nan 8.230 nan 0.000 0.421 342 L N 4.813 126.018 121.223 -0.029 0.000 2.325 342 L HA 0.400 4.749 4.340 0.013 0.000 0.284 342 L C -0.806 176.047 176.870 -0.029 0.000 1.089 342 L CA 0.425 55.248 54.840 -0.029 0.000 0.836 342 L CB 0.173 42.200 42.059 -0.053 0.000 1.184 342 L HN 0.388 nan 8.230 nan 0.000 0.444 343 L N 6.054 127.277 121.223 -0.000 0.000 2.317 343 L HA 0.515 4.863 4.340 0.013 0.000 0.281 343 L C -0.677 176.205 176.870 0.021 0.000 1.024 343 L CA -0.754 54.095 54.840 0.016 0.000 0.810 343 L CB 1.832 43.922 42.059 0.053 0.000 1.240 343 L HN 0.553 nan 8.230 nan 0.000 0.427 344 L N 4.146 125.391 121.223 0.036 0.000 2.319 344 L HA 0.462 4.810 4.340 0.013 0.000 0.281 344 L C -0.208 176.674 176.870 0.020 0.000 1.005 344 L CA -0.104 54.761 54.840 0.043 0.000 0.828 344 L CB 0.735 42.829 42.059 0.058 0.000 1.227 344 L HN 0.612 nan 8.230 nan 0.000 0.415 345 N N 4.121 122.699 118.700 -0.204 0.000 2.727 345 N HA -0.215 4.533 4.740 0.013 0.000 0.249 345 N C 0.907 176.085 175.510 -0.552 0.000 1.048 345 N CA 1.303 53.882 53.050 -0.785 0.000 0.714 345 N CB -1.223 36.724 38.487 -0.899 0.000 0.959 345 N HN 1.140 nan 8.380 nan 0.000 0.544 346 G N -2.034 106.742 108.800 -0.041 0.000 2.184 346 G HA2 -0.357 3.612 3.960 0.013 0.000 0.264 346 G HA3 -0.357 3.612 3.960 0.013 0.000 0.264 346 G C -0.049 174.897 174.900 0.077 0.000 0.975 346 G CA 0.951 46.126 45.100 0.125 0.000 0.642 346 G HN 0.426 nan 8.290 nan 0.000 0.536 347 K N 0.686 121.126 120.400 0.067 0.000 2.259 347 K HA 0.545 4.873 4.320 0.013 0.000 0.249 347 K C -2.850 173.742 176.600 -0.013 0.000 0.942 347 K CA -2.219 54.071 56.287 0.005 0.000 0.816 347 K CB 2.582 35.022 32.500 -0.100 0.000 1.155 347 K HN 0.054 nan 8.250 nan 0.000 0.428 348 P HA 0.236 nan 4.420 nan 0.000 0.282 348 P C -0.106 177.143 177.300 -0.086 0.000 1.274 348 P CA -0.300 62.766 63.100 -0.057 0.000 0.770 348 P CB 0.552 32.219 31.700 -0.055 0.000 0.867 349 L N 3.447 124.614 121.223 -0.094 0.000 2.464 349 L HA 0.277 4.625 4.340 0.013 0.000 0.264 349 L C 0.663 177.459 176.870 -0.123 0.000 1.199 349 L CA -0.555 54.219 54.840 -0.111 0.000 0.818 349 L CB 0.312 42.261 42.059 -0.185 0.000 1.102 349 L HN 0.271 nan 8.230 nan 0.000 0.473 350 L N 3.475 124.642 121.223 -0.094 0.000 2.427 350 L HA 0.410 4.758 4.340 0.013 0.000 0.264 350 L C -0.555 176.270 176.870 -0.074 0.000 0.989 350 L CA -0.200 54.566 54.840 -0.124 0.000 0.865 350 L CB 0.854 42.868 42.059 -0.075 0.000 1.209 350 L HN 0.239 nan 8.230 nan 0.000 0.430 351 I N 4.749 125.201 120.570 -0.197 0.000 2.421 351 I HA 0.176 4.354 4.170 0.013 0.000 0.291 351 I C 0.622 176.697 176.117 -0.071 0.000 1.089 351 I CA 0.275 61.468 61.300 -0.178 0.000 1.354 351 I CB 0.370 38.129 38.000 -0.402 0.000 1.413 351 I HN 0.567 nan 8.210 nan 0.000 0.513 352 R N 4.749 125.300 120.500 0.085 0.000 3.070 352 R HA 0.421 4.769 4.340 0.013 0.000 0.252 352 R C 0.536 176.965 176.300 0.216 0.000 1.370 352 R CA -0.265 55.924 56.100 0.149 0.000 1.482 352 R CB 0.792 31.023 30.300 -0.114 0.000 1.220 352 R HN 0.777 nan 8.270 nan 0.000 0.622 353 G N 0.034 108.924 108.800 0.150 0.000 2.552 353 G HA2 0.585 4.553 3.960 0.013 0.000 0.324 353 G HA3 0.585 4.553 3.960 0.013 0.000 0.324 353 G C -1.278 173.952 174.900 0.551 0.000 1.217 353 G CA -0.433 44.774 45.100 0.179 0.000 0.989 353 G HN 0.217 nan 8.290 nan 0.000 0.490 354 V N -0.139 120.062 119.914 0.479 0.000 3.012 354 V HA 0.468 4.596 4.120 0.013 0.000 0.307 354 V C -1.145 175.065 176.094 0.193 0.000 1.166 354 V CA -1.215 61.238 62.300 0.254 0.000 0.974 354 V CB 2.218 33.898 31.823 -0.238 0.000 1.040 354 V HN 0.767 nan 8.190 nan 0.000 0.428 355 N N 4.300 123.027 118.700 0.044 0.000 2.529 355 N HA 0.439 5.187 4.740 0.013 0.000 0.278 355 N C -0.753 174.528 175.510 -0.381 0.000 1.146 355 N CA -0.310 52.618 53.050 -0.202 0.000 0.980 355 N CB 1.456 39.742 38.487 -0.335 0.000 1.124 355 N HN 0.643 nan 8.380 nan 0.000 0.458 356 R N 2.102 122.347 120.500 -0.425 0.000 2.514 356 R HA 0.218 4.566 4.340 0.013 0.000 0.296 356 R C -1.049 174.979 176.300 -0.455 0.000 1.012 356 R CA -0.541 55.329 56.100 -0.384 0.000 0.897 356 R CB 0.888 30.967 30.300 -0.368 0.000 1.184 356 R HN 0.595 nan 8.270 nan 0.000 0.440 357 H N 2.049 120.950 119.070 -0.281 0.000 2.508 357 H HA 0.156 4.720 4.556 0.014 0.000 0.358 357 H C -0.521 174.794 175.328 -0.020 0.000 1.212 357 H CA -0.022 55.965 56.048 -0.103 0.000 1.356 357 H CB 1.478 31.241 29.762 0.002 0.000 1.525 357 H HN 0.559 nan 8.280 nan 0.000 0.578 358 E N 1.574 121.960 120.200 0.309 0.000 1.963 358 E HA 0.107 4.465 4.350 0.013 0.000 0.274 358 E C -0.820 175.903 176.600 0.204 0.000 1.061 358 E CA -0.074 56.414 56.400 0.147 0.000 0.847 358 E CB 0.247 30.057 29.700 0.184 0.000 1.083 358 E HN 0.369 nan 8.360 nan 0.000 0.402 359 H N 1.742 120.858 119.070 0.077 0.000 2.771 359 H HA 0.278 4.842 4.556 0.013 0.000 0.361 359 H C -1.619 173.764 175.328 0.091 0.000 1.108 359 H CA -0.669 55.425 56.048 0.075 0.000 1.201 359 H CB 1.063 30.856 29.762 0.051 0.000 1.681 359 H HN 0.386 nan 8.280 nan 0.000 0.534 360 H N 6.250 124.909 119.070 -0.685 0.000 2.782 360 H HA 0.209 4.773 4.556 0.013 0.000 0.347 360 H C -2.350 172.611 175.328 -0.611 0.000 1.038 360 H CA -2.378 53.418 56.048 -0.419 0.000 1.255 360 H CB 2.624 32.291 29.762 -0.158 0.000 1.623 360 H HN 0.535 nan 8.280 nan 0.000 0.525 361 P HA -0.092 nan 4.420 nan 0.000 0.219 361 P C 1.175 178.396 177.300 -0.132 0.000 1.146 361 P CA 0.921 63.882 63.100 -0.232 0.000 0.808 361 P CB 0.692 32.280 31.700 -0.186 0.000 0.779 362 L N -2.051 119.224 121.223 0.086 0.000 2.362 362 L HA 0.133 4.481 4.340 0.013 0.000 0.204 362 L C 2.014 178.701 176.870 -0.306 0.000 1.060 362 L CA 0.715 55.469 54.840 -0.144 0.000 0.827 362 L CB -0.964 40.906 42.059 -0.315 0.000 1.027 362 L HN -0.007 nan 8.230 nan 0.000 0.474 363 H N -0.014 119.023 119.070 -0.056 0.000 2.529 363 H HA 0.323 4.887 4.556 0.013 0.000 0.277 363 H C 1.385 176.590 175.328 -0.204 0.000 1.004 363 H CA 0.237 56.131 56.048 -0.256 0.000 1.167 363 H CB 0.436 29.906 29.762 -0.486 0.000 1.445 363 H HN 0.398 nan 8.280 nan 0.000 0.554 364 G N 1.480 110.186 108.800 -0.158 0.000 2.543 364 G HA2 -0.390 3.578 3.960 0.013 0.000 0.286 364 G HA3 -0.390 3.578 3.960 0.013 0.000 0.286 364 G C 0.655 175.456 174.900 -0.166 0.000 1.153 364 G CA 0.380 45.338 45.100 -0.236 0.000 0.968 364 G HN 0.473 nan 8.290 nan 0.000 0.544 365 Q N -0.123 119.602 119.800 -0.125 0.000 2.220 365 Q HA 0.480 4.828 4.340 0.013 0.000 0.205 365 Q C 0.307 176.379 176.000 0.120 0.000 0.865 365 Q CA -0.118 55.654 55.803 -0.053 0.000 0.960 365 Q CB 1.364 29.974 28.738 -0.212 0.000 1.097 365 Q HN 0.371 nan 8.270 nan 0.000 0.493 366 V N 2.172 122.140 119.914 0.089 0.000 2.488 366 V HA 0.156 4.284 4.120 0.013 0.000 0.277 366 V C 0.126 176.250 176.094 0.049 0.000 1.046 366 V CA 0.178 62.536 62.300 0.097 0.000 0.986 366 V CB 0.827 32.637 31.823 -0.021 0.000 0.989 366 V HN 0.346 nan 8.190 nan 0.000 0.475 367 M N 4.935 124.572 119.600 0.062 0.000 2.404 367 M HA 0.469 4.957 4.480 0.013 0.000 0.338 367 M C -0.479 175.762 176.300 -0.098 0.000 1.150 367 M CA -0.617 54.676 55.300 -0.011 0.000 1.016 367 M CB 1.536 34.099 32.600 -0.061 0.000 1.672 367 M HN 0.935 nan 8.290 nan 0.000 0.448 368 D N -0.800 119.555 120.400 -0.075 0.000 2.527 368 D HA 0.276 4.924 4.640 0.013 0.000 0.233 368 D C 0.473 176.749 176.300 -0.040 0.000 1.063 368 D CA -0.679 53.277 54.000 -0.073 0.000 0.880 368 D CB 1.555 42.333 40.800 -0.036 0.000 1.457 368 D HN 0.667 nan 8.370 nan 0.000 0.475 369 E N 0.090 120.275 120.200 -0.024 0.000 2.070 369 E HA -0.365 3.994 4.350 0.013 0.000 0.197 369 E C 1.669 178.309 176.600 0.067 0.000 1.004 369 E CA 1.522 57.940 56.400 0.029 0.000 0.805 369 E CB 0.076 29.808 29.700 0.054 0.000 0.744 369 E HN 0.614 nan 8.360 nan 0.000 0.451 370 Q N -0.431 119.410 119.800 0.068 0.000 2.096 370 Q HA -0.173 4.175 4.340 0.013 0.000 0.204 370 Q C 2.091 178.148 176.000 0.095 0.000 0.982 370 Q CA 2.145 57.998 55.803 0.084 0.000 0.850 370 Q CB -0.085 28.704 28.738 0.086 0.000 0.901 370 Q HN 0.344 nan 8.270 nan 0.000 0.422 371 T N 0.815 115.432 114.554 0.105 0.000 2.777 371 T HA -0.104 4.254 4.350 0.013 0.000 0.266 371 T C 1.894 176.665 174.700 0.118 0.000 1.040 371 T CA 1.367 63.541 62.100 0.123 0.000 1.141 371 T CB -0.133 68.831 68.868 0.161 0.000 0.868 371 T HN 0.291 nan 8.240 nan 0.000 0.444 372 M N 0.563 120.236 119.600 0.121 0.000 2.108 372 M HA -0.099 4.389 4.480 0.013 0.000 0.261 372 M C 2.460 178.872 176.300 0.186 0.000 1.066 372 M CA 1.297 56.742 55.300 0.242 0.000 1.107 372 M CB -0.655 32.129 32.600 0.308 0.000 1.356 372 M HN 0.093 nan 8.290 nan 0.000 0.406 373 V N 0.370 120.337 119.914 0.089 0.000 2.295 373 V HA -0.309 3.819 4.120 0.013 0.000 0.246 373 V C 2.376 178.447 176.094 -0.037 0.000 1.049 373 V CA 2.207 64.496 62.300 -0.018 0.000 1.024 373 V CB -0.859 30.994 31.823 0.050 0.000 0.648 373 V HN 0.575 nan 8.190 nan 0.000 0.447 374 Q N -0.473 119.355 119.800 0.046 0.000 2.124 374 Q HA -0.259 4.089 4.340 0.013 0.000 0.202 374 Q C 1.889 177.944 176.000 0.091 0.000 0.977 374 Q CA 2.013 57.856 55.803 0.068 0.000 0.850 374 Q CB -0.119 28.678 28.738 0.099 0.000 0.901 374 Q HN 0.630 nan 8.270 nan 0.000 0.429 375 D N 0.402 120.869 120.400 0.111 0.000 2.097 375 D HA -0.118 4.530 4.640 0.013 0.000 0.197 375 D C 1.930 178.165 176.300 -0.109 0.000 0.984 375 D CA 1.062 55.121 54.000 0.099 0.000 0.826 375 D CB -0.158 40.677 40.800 0.057 0.000 0.973 375 D HN 0.345 nan 8.370 nan 0.000 0.460 376 I N 0.786 121.280 120.570 -0.126 0.000 2.226 376 I HA -0.228 3.950 4.170 0.013 0.000 0.245 376 I C 2.399 178.362 176.117 -0.256 0.000 1.100 376 I CA 0.636 61.759 61.300 -0.296 0.000 1.374 376 I CB -0.084 37.610 38.000 -0.509 0.000 1.057 376 I HN -0.015 nan 8.210 nan 0.000 0.413 377 L N -0.103 121.004 121.223 -0.193 0.000 2.046 377 L HA -0.221 4.127 4.340 0.013 0.000 0.208 377 L C 2.503 179.417 176.870 0.073 0.000 1.077 377 L CA 1.397 56.211 54.840 -0.042 0.000 0.747 377 L CB -0.587 41.471 42.059 -0.001 0.000 0.896 377 L HN 0.292 nan 8.230 nan 0.000 0.432 378 L N -1.023 120.261 121.223 0.102 0.000 2.093 378 L HA -0.190 4.158 4.340 0.013 0.000 0.208 378 L C 2.659 179.671 176.870 0.235 0.000 1.085 378 L CA 1.072 56.056 54.840 0.239 0.000 0.755 378 L CB -0.250 42.066 42.059 0.429 0.000 0.904 378 L HN 0.266 nan 8.230 nan 0.000 0.435 379 M N -0.519 119.045 119.600 -0.060 0.000 2.080 379 M HA -0.248 4.240 4.480 0.013 0.000 0.260 379 M C 2.248 178.616 176.300 0.114 0.000 1.068 379 M CA 1.920 57.109 55.300 -0.185 0.000 1.109 379 M CB -0.298 31.944 32.600 -0.596 0.000 1.342 379 M HN 0.058 nan 8.290 nan 0.000 0.405 380 K N -0.167 120.211 120.400 -0.037 0.000 2.097 380 K HA -0.157 4.171 4.320 0.013 0.000 0.205 380 K C 1.982 178.584 176.600 0.004 0.000 1.050 380 K CA 1.206 57.391 56.287 -0.169 0.000 0.938 380 K CB -0.192 32.001 32.500 -0.512 0.000 0.718 380 K HN 0.427 nan 8.250 nan 0.000 0.442 381 Q N 0.438 120.377 119.800 0.231 0.000 2.291 381 Q HA -0.039 4.309 4.340 0.013 0.000 0.205 381 Q C 0.817 177.090 176.000 0.455 0.000 0.970 381 Q CA 0.745 56.766 55.803 0.364 0.000 0.876 381 Q CB 0.141 29.063 28.738 0.306 0.000 0.935 381 Q HN 0.261 nan 8.270 nan 0.000 0.455 382 N N 0.749 119.683 118.700 0.390 0.000 2.279 382 N HA 0.041 4.789 4.740 0.013 0.000 0.226 382 N C -0.626 174.995 175.510 0.186 0.000 1.126 382 N CA 0.056 53.335 53.050 0.381 0.000 0.846 382 N CB 0.590 39.383 38.487 0.509 0.000 1.050 382 N HN 0.187 nan 8.380 nan 0.000 0.502 383 N N 0.088 118.904 118.700 0.192 0.000 2.741 383 N HA -0.193 4.555 4.740 0.013 0.000 0.251 383 N C -0.786 174.664 175.510 -0.099 0.000 1.112 383 N CA 0.824 53.942 53.050 0.114 0.000 0.750 383 N CB -1.726 36.739 38.487 -0.038 0.000 1.119 383 N HN 0.241 nan 8.380 nan 0.000 0.561 384 F N 1.169 121.138 119.950 0.032 0.000 2.375 384 F HA 0.316 4.851 4.527 0.013 0.000 0.333 384 F C 1.778 177.572 175.800 -0.010 0.000 1.104 384 F CA -0.549 57.453 58.000 0.004 0.000 1.149 384 F CB 0.763 39.741 39.000 -0.038 0.000 1.190 384 F HN 0.039 nan 8.300 nan 0.000 0.533 385 N N 0.339 119.160 118.700 0.202 0.000 2.160 385 N HA 0.442 5.190 4.740 0.013 0.000 0.226 385 N C -0.902 174.642 175.510 0.057 0.000 1.256 385 N CA -0.020 53.065 53.050 0.058 0.000 0.890 385 N CB 0.727 39.294 38.487 0.133 0.000 1.116 385 N HN 0.492 nan 8.380 nan 0.000 0.517 386 A N -0.493 122.441 122.820 0.189 0.000 2.594 386 A HA 0.763 5.091 4.320 0.013 0.000 0.295 386 A C -1.735 176.065 177.584 0.359 0.000 1.071 386 A CA -0.690 51.522 52.037 0.292 0.000 0.685 386 A CB 1.823 21.015 19.000 0.319 0.000 1.285 386 A HN 0.250 nan 8.150 nan 0.000 0.405 387 V N 1.098 121.268 119.914 0.427 0.000 2.971 387 V HA 0.820 4.948 4.120 0.013 0.000 0.309 387 V C -0.712 175.507 176.094 0.209 0.000 1.130 387 V CA -0.752 61.752 62.300 0.341 0.000 0.964 387 V CB 1.956 33.900 31.823 0.201 0.000 1.029 387 V HN 1.117 nan 8.190 nan 0.000 0.427 388 R N 4.649 125.109 120.500 -0.068 0.000 2.387 388 R HA 0.478 4.826 4.340 0.013 0.000 0.314 388 R C -0.728 175.415 176.300 -0.263 0.000 0.958 388 R CA -0.482 55.397 56.100 -0.369 0.000 0.846 388 R CB 1.105 30.971 30.300 -0.723 0.000 1.147 388 R HN 0.828 nan 8.270 nan 0.000 0.447 389 C N 4.392 123.567 119.300 -0.208 0.000 3.329 389 C HA 0.095 4.563 4.460 0.013 0.000 0.537 389 C C 0.575 175.275 174.990 -0.483 0.000 1.034 389 C CA -0.395 58.455 59.018 -0.279 0.000 1.086 389 C CB -2.189 25.509 27.740 -0.072 0.000 1.392 389 C HN 0.715 nan 8.230 nan 0.000 0.612 390 S N 1.231 116.526 115.700 -0.676 0.000 2.465 390 S HA 0.163 4.641 4.470 0.013 0.000 0.280 390 S C -0.047 173.688 174.600 -1.442 0.000 1.232 390 S CA 0.135 57.688 58.200 -1.078 0.000 1.066 390 S CB 0.142 62.643 63.200 -1.165 0.000 0.929 390 S HN 0.725 nan 8.310 nan 0.000 0.494 391 H N 3.648 122.152 119.070 -0.943 0.000 2.535 391 H HA 0.321 4.885 4.556 0.013 0.000 0.232 391 H C -1.092 174.156 175.328 -0.133 0.000 1.405 391 H CA -0.342 55.527 56.048 -0.299 0.000 1.224 391 H CB -0.242 29.542 29.762 0.037 0.000 1.763 391 H HN 0.890 nan 8.280 nan 0.000 0.529 392 Y N -3.062 117.350 120.300 0.186 0.000 2.774 392 Y HA 0.412 4.970 4.550 0.014 0.000 0.346 392 Y C -3.322 172.689 175.900 0.185 0.000 1.222 392 Y CA -3.110 55.105 58.100 0.191 0.000 1.088 392 Y CB -0.023 38.555 38.460 0.196 0.000 1.354 392 Y HN -0.131 nan 8.280 nan 0.000 0.455 393 P HA 0.173 nan 4.420 nan 0.000 0.268 393 P C -0.664 176.930 177.300 0.490 0.000 1.204 393 P CA 0.160 63.512 63.100 0.419 0.000 0.768 393 P CB 0.557 32.432 31.700 0.292 0.000 0.842 394 N N 0.672 119.678 118.700 0.509 0.000 2.447 394 N HA 0.086 4.835 4.740 0.013 0.000 0.271 394 N C 0.158 175.921 175.510 0.421 0.000 1.226 394 N CA -0.583 52.679 53.050 0.352 0.000 0.980 394 N CB 0.344 38.819 38.487 -0.021 0.000 1.206 394 N HN 0.599 nan 8.380 nan 0.000 0.558 395 H N 2.057 121.232 119.070 0.175 0.000 3.001 395 H HA 0.003 4.567 4.556 0.013 0.000 0.334 395 H C -1.682 173.807 175.328 0.267 0.000 1.034 395 H CA -0.822 55.314 56.048 0.146 0.000 1.420 395 H CB 0.975 30.784 29.762 0.078 0.000 1.405 395 H HN 0.421 nan 8.280 nan 0.000 0.593 396 P HA -0.208 nan 4.420 nan 0.000 0.217 396 P C 1.829 179.449 177.300 0.534 0.000 1.148 396 P CA 0.707 64.052 63.100 0.409 0.000 0.828 396 P CB 0.190 31.977 31.700 0.145 0.000 0.783 397 L N -1.069 120.568 121.223 0.690 0.000 2.191 397 L HA -0.057 4.291 4.340 0.013 0.000 0.212 397 L C 2.324 179.363 176.870 0.281 0.000 1.103 397 L CA 1.350 56.434 54.840 0.406 0.000 0.769 397 L CB -1.438 40.779 42.059 0.263 0.000 0.908 397 L HN 0.045 nan 8.230 nan 0.000 0.438 398 W N -0.497 120.816 121.300 0.022 0.000 2.335 398 W HA -0.331 4.337 4.660 0.013 0.000 0.311 398 W C 2.098 178.449 176.519 -0.279 0.000 1.213 398 W CA 1.947 59.163 57.345 -0.214 0.000 1.274 398 W CB -0.397 28.827 29.460 -0.395 0.000 1.148 398 W HN 0.270 nan 8.180 nan 0.000 0.498 399 Y N 0.813 121.038 120.300 -0.125 0.000 2.181 399 Y HA -0.236 4.322 4.550 0.013 0.000 0.288 399 Y C 2.878 178.527 175.900 -0.419 0.000 1.146 399 Y CA 2.241 60.034 58.100 -0.511 0.000 1.164 399 Y CB -1.303 36.502 38.460 -1.091 0.000 0.982 399 Y HN -0.220 nan 8.280 nan 0.000 0.515 400 T N 0.603 115.161 114.554 0.006 0.000 2.746 400 T HA -0.148 4.210 4.350 0.013 0.000 0.267 400 T C 1.974 176.710 174.700 0.061 0.000 1.039 400 T CA 1.358 63.551 62.100 0.155 0.000 1.142 400 T CB -0.514 68.493 68.868 0.230 0.000 0.866 400 T HN 0.233 nan 8.240 nan 0.000 0.444 401 L N 0.238 121.454 121.223 -0.011 0.000 2.093 401 L HA -0.064 4.284 4.340 0.013 0.000 0.208 401 L C 2.813 179.648 176.870 -0.058 0.000 1.085 401 L CA 0.737 55.590 54.840 0.023 0.000 0.755 401 L CB -0.591 41.446 42.059 -0.038 0.000 0.904 401 L HN 0.378 nan 8.230 nan 0.000 0.435 402 C N -0.211 118.884 119.300 -0.341 0.000 2.440 402 C HA -0.138 4.330 4.460 0.013 0.000 0.278 402 C C 2.402 177.417 174.990 0.042 0.000 1.295 402 C CA 0.415 59.255 59.018 -0.297 0.000 1.738 402 C CB -0.721 26.735 27.740 -0.473 0.000 1.987 402 C HN 0.535 nan 8.230 nan 0.000 0.492 403 D N 0.461 120.900 120.400 0.064 0.000 2.117 403 D HA -0.104 4.544 4.640 0.013 0.000 0.197 403 D C 2.401 178.909 176.300 0.346 0.000 0.987 403 D CA 1.242 55.370 54.000 0.214 0.000 0.829 403 D CB -0.324 40.568 40.800 0.153 0.000 0.961 403 D HN 0.519 nan 8.370 nan 0.000 0.460 404 R N -1.108 119.493 120.500 0.169 0.000 2.100 404 R HA 0.028 4.376 4.340 0.013 0.000 0.220 404 R C 2.068 178.351 176.300 -0.029 0.000 1.091 404 R CA 0.478 56.615 56.100 0.063 0.000 0.986 404 R CB -0.120 30.146 30.300 -0.056 0.000 0.888 404 R HN 0.281 nan 8.270 nan 0.000 0.444 405 Y N -0.008 120.298 120.300 0.011 0.000 2.475 405 Y HA 0.157 4.715 4.550 0.013 0.000 0.289 405 Y C 1.002 176.823 175.900 -0.131 0.000 1.121 405 Y CA 0.701 58.778 58.100 -0.039 0.000 1.257 405 Y CB 0.678 39.089 38.460 -0.083 0.000 1.026 405 Y HN 0.221 nan 8.280 nan 0.000 0.555 406 G N 1.311 110.134 108.800 0.038 0.000 2.884 406 G HA2 -0.180 3.788 3.960 0.013 0.000 0.261 406 G HA3 -0.180 3.788 3.960 0.013 0.000 0.261 406 G C -1.132 173.600 174.900 -0.280 0.000 1.025 406 G CA -0.493 44.491 45.100 -0.194 0.000 1.228 406 G HN 0.184 nan 8.290 nan 0.000 0.558 407 L N 1.123 122.261 121.223 -0.142 0.000 2.464 407 L HA 0.483 4.831 4.340 0.013 0.000 0.266 407 L C 0.114 176.981 176.870 -0.004 0.000 0.965 407 L CA -1.300 53.421 54.840 -0.199 0.000 0.833 407 L CB 1.903 43.868 42.059 -0.156 0.000 1.296 407 L HN 0.447 nan 8.230 nan 0.000 0.405 408 Y N 2.032 122.463 120.300 0.218 0.000 2.425 408 Y HA 0.327 4.887 4.550 0.016 0.000 0.331 408 Y C 0.239 176.269 175.900 0.216 0.000 1.157 408 Y CA -0.635 57.629 58.100 0.274 0.000 1.372 408 Y CB 1.132 39.730 38.460 0.229 0.000 1.253 408 Y HN 0.172 nan 8.280 nan 0.000 0.536 409 V N 4.409 124.514 119.914 0.319 0.000 2.604 409 V HA 0.287 4.415 4.120 0.013 0.000 0.305 409 V C -0.559 175.618 176.094 0.138 0.000 1.043 409 V CA -1.007 61.418 62.300 0.208 0.000 0.888 409 V CB 1.904 33.810 31.823 0.139 0.000 0.995 409 V HN 0.458 nan 8.190 nan 0.000 0.429 410 V N 3.431 123.396 119.914 0.084 0.000 2.333 410 V HA 0.305 4.433 4.120 0.013 0.000 0.274 410 V C -0.236 175.887 176.094 0.049 0.000 1.028 410 V CA -0.356 61.941 62.300 -0.005 0.000 0.851 410 V CB 1.358 33.069 31.823 -0.186 0.000 1.000 410 V HN 0.863 nan 8.190 nan 0.000 0.456 411 D N 4.281 124.743 120.400 0.105 0.000 2.280 411 D HA 0.264 4.912 4.640 0.013 0.000 0.243 411 D C -0.137 176.345 176.300 0.304 0.000 1.129 411 D CA -0.088 54.068 54.000 0.259 0.000 0.848 411 D CB 1.208 42.192 40.800 0.308 0.000 1.107 411 D HN 0.696 nan 8.370 nan 0.000 0.471 412 E N 2.124 122.466 120.200 0.238 0.000 2.171 412 E HA 0.613 4.971 4.350 0.013 0.000 0.271 412 E C -0.930 175.808 176.600 0.230 0.000 0.916 412 E CA -1.039 55.492 56.400 0.218 0.000 0.774 412 E CB 1.274 31.052 29.700 0.130 0.000 1.128 412 E HN 0.443 nan 8.360 nan 0.000 0.403 413 A N 3.905 126.856 122.820 0.217 0.000 2.425 413 A HA 0.066 4.394 4.320 0.013 0.000 0.242 413 A C 0.303 178.013 177.584 0.210 0.000 1.077 413 A CA -0.249 51.897 52.037 0.181 0.000 0.781 413 A CB 0.144 19.218 19.000 0.122 0.000 1.020 413 A HN 0.740 nan 8.150 nan 0.000 0.494 414 N N 1.038 119.869 118.700 0.218 0.000 3.050 414 N HA 0.284 5.032 4.740 0.013 0.000 0.289 414 N C -1.077 174.565 175.510 0.221 0.000 1.209 414 N CA 0.200 53.413 53.050 0.271 0.000 1.154 414 N CB -0.826 37.831 38.487 0.283 0.000 1.444 414 N HN 0.467 nan 8.380 nan 0.000 0.529 415 I N 0.837 121.532 120.570 0.208 0.000 2.497 415 I HA 0.280 4.458 4.170 0.013 0.000 0.284 415 I C -0.606 175.617 176.117 0.176 0.000 1.060 415 I CA -0.631 60.773 61.300 0.173 0.000 1.071 415 I CB 1.816 39.890 38.000 0.123 0.000 1.216 415 I HN 0.258 nan 8.210 nan 0.000 0.442 416 E N 4.352 124.652 120.200 0.168 0.000 2.281 416 E HA 0.371 4.729 4.350 0.013 0.000 0.266 416 E C -0.598 176.073 176.600 0.119 0.000 0.893 416 E CA -0.482 55.992 56.400 0.123 0.000 0.798 416 E CB 1.553 31.308 29.700 0.091 0.000 1.245 416 E HN 0.609 nan 8.360 nan 0.000 0.410 417 T N 0.663 115.277 114.554 0.099 0.000 3.374 417 T HA 0.164 4.523 4.350 0.013 0.000 0.267 417 T C 0.861 175.616 174.700 0.091 0.000 0.996 417 T CA -0.346 61.836 62.100 0.136 0.000 0.977 417 T CB -0.260 68.667 68.868 0.098 0.000 1.149 417 T HN 0.657 nan 8.240 nan 0.000 0.517 418 H N 1.173 120.161 119.070 -0.137 0.000 2.353 418 H HA -0.045 4.519 4.556 0.014 0.000 0.298 418 H C 2.311 177.514 175.328 -0.208 0.000 1.103 418 H CA 1.281 57.221 56.048 -0.179 0.000 1.293 418 H CB -0.162 29.464 29.762 -0.227 0.000 1.372 418 H HN 0.586 nan 8.280 nan 0.000 0.501 419 G N 0.229 108.860 108.800 -0.282 0.000 2.776 419 G HA2 -0.036 3.932 3.960 0.013 0.000 0.209 419 G HA3 -0.036 3.932 3.960 0.013 0.000 0.209 419 G C 0.469 175.472 174.900 0.173 0.000 1.145 419 G CA -0.150 44.819 45.100 -0.218 0.000 0.791 419 G HN 0.151 nan 8.290 nan 0.000 0.530 420 M N 0.393 120.141 119.600 0.246 0.000 2.226 420 M HA 0.318 4.806 4.480 0.013 0.000 0.324 420 M C -0.391 175.953 176.300 0.074 0.000 1.112 420 M CA -0.185 55.221 55.300 0.177 0.000 1.176 420 M CB 1.357 34.016 32.600 0.099 0.000 1.430 420 M HN -0.204 nan 8.290 nan 0.000 0.462 421 V N 3.466 123.403 119.914 0.038 0.000 2.482 421 V HA 0.370 4.498 4.120 0.013 0.000 0.295 421 V C -1.975 174.119 176.094 -0.000 0.000 1.026 421 V CA -1.272 61.036 62.300 0.013 0.000 0.856 421 V CB 1.781 33.606 31.823 0.004 0.000 1.001 421 V HN 0.730 nan 8.190 nan 0.000 0.424 422 P HA 0.259 nan 4.420 nan 0.000 0.286 422 P C 0.984 178.292 177.300 0.014 0.000 1.293 422 P CA -0.526 62.576 63.100 0.004 0.000 0.770 422 P CB 1.031 32.734 31.700 0.004 0.000 1.206 423 M N 0.328 119.942 119.600 0.022 0.000 2.279 423 M HA -0.143 4.345 4.480 0.013 0.000 0.264 423 M C 1.158 177.486 176.300 0.046 0.000 1.062 423 M CA 1.636 56.958 55.300 0.037 0.000 1.099 423 M CB -0.458 32.153 32.600 0.017 0.000 1.394 423 M HN 0.333 nan 8.290 nan 0.000 0.426 424 N N -0.012 118.715 118.700 0.044 0.000 2.313 424 N HA -0.071 4.677 4.740 0.013 0.000 0.207 424 N C 1.126 176.624 175.510 -0.020 0.000 1.141 424 N CA 0.102 53.181 53.050 0.048 0.000 0.830 424 N CB -0.720 37.813 38.487 0.077 0.000 1.008 424 N HN 0.381 nan 8.380 nan 0.000 0.481 425 R N 0.541 121.017 120.500 -0.040 0.000 2.096 425 R HA -0.056 4.292 4.340 0.013 0.000 0.240 425 R C 1.438 177.650 176.300 -0.146 0.000 1.139 425 R CA 1.488 57.541 56.100 -0.077 0.000 0.952 425 R CB -0.091 30.167 30.300 -0.071 0.000 0.854 425 R HN 0.293 nan 8.270 nan 0.000 0.436 426 L N -0.460 120.614 121.223 -0.249 0.000 2.162 426 L HA -0.019 4.329 4.340 0.013 0.000 0.205 426 L C 2.555 179.296 176.870 -0.214 0.000 1.086 426 L CA 1.366 55.945 54.840 -0.434 0.000 0.778 426 L CB -0.552 41.004 42.059 -0.839 0.000 0.928 426 L HN 0.390 nan 8.230 nan 0.000 0.446 427 T N -4.351 110.102 114.554 -0.169 0.000 3.035 427 T HA -0.157 4.201 4.350 0.013 0.000 0.268 427 T C 1.324 175.940 174.700 -0.141 0.000 1.109 427 T CA 1.120 63.104 62.100 -0.194 0.000 1.119 427 T CB -0.210 68.491 68.868 -0.279 0.000 0.900 427 T HN 0.098 nan 8.240 nan 0.000 0.503 428 D N 1.260 121.613 120.400 -0.078 0.000 2.339 428 D HA 0.092 4.740 4.640 0.013 0.000 0.217 428 D C -0.193 176.091 176.300 -0.028 0.000 1.050 428 D CA -0.135 53.830 54.000 -0.058 0.000 0.856 428 D CB -0.140 40.633 40.800 -0.046 0.000 0.922 428 D HN 0.346 nan 8.370 nan 0.000 0.518 429 D N -0.185 120.216 120.400 0.001 0.000 2.280 429 D HA 0.121 4.769 4.640 0.013 0.000 0.236 429 D C -1.641 174.708 176.300 0.082 0.000 1.082 429 D CA -2.208 51.826 54.000 0.056 0.000 0.834 429 D CB 2.042 42.919 40.800 0.128 0.000 1.100 429 D HN -0.048 nan 8.370 nan 0.000 0.486 430 P HA -0.141 nan 4.420 nan 0.000 0.219 430 P C 0.963 178.264 177.300 0.003 0.000 1.146 430 P CA 0.857 63.964 63.100 0.013 0.000 0.808 430 P CB 0.269 31.967 31.700 -0.004 0.000 0.779 431 R N -1.804 118.702 120.500 0.009 0.000 2.241 431 R HA -0.088 4.260 4.340 0.013 0.000 0.224 431 R C 1.637 177.814 176.300 -0.204 0.000 1.101 431 R CA 1.134 57.174 56.100 -0.101 0.000 0.995 431 R CB -0.601 29.621 30.300 -0.131 0.000 0.870 431 R HN 0.336 nan 8.270 nan 0.000 0.463 432 W N -0.133 121.114 121.300 -0.089 0.000 3.278 432 W HA 0.128 4.795 4.660 0.013 0.000 0.308 432 W C 1.543 178.005 176.519 -0.094 0.000 1.253 432 W CA -0.509 56.782 57.345 -0.089 0.000 1.759 432 W CB 0.042 29.447 29.460 -0.091 0.000 1.093 432 W HN -0.002 nan 8.180 nan 0.000 0.648 433 L N 2.241 123.494 121.223 0.049 0.000 2.012 433 L HA -0.098 4.250 4.340 0.013 0.000 0.210 433 L C -0.667 176.172 176.870 -0.052 0.000 1.073 433 L CA 2.345 57.176 54.840 -0.015 0.000 0.748 433 L CB -1.756 40.284 42.059 -0.032 0.000 0.891 433 L HN -0.227 nan 8.230 nan 0.000 0.431 434 P HA -0.170 nan 4.420 nan 0.000 0.215 434 P C 1.612 178.861 177.300 -0.084 0.000 1.157 434 P CA 2.288 65.329 63.100 -0.099 0.000 0.868 434 P CB -0.246 31.385 31.700 -0.115 0.000 0.788 435 A N -1.145 121.641 122.820 -0.057 0.000 1.902 435 A HA -0.181 4.147 4.320 0.013 0.000 0.217 435 A C 2.243 179.848 177.584 0.034 0.000 1.181 435 A CA 1.890 53.929 52.037 0.004 0.000 0.623 435 A CB -1.446 17.593 19.000 0.065 0.000 0.818 435 A HN 0.098 nan 8.150 nan 0.000 0.443 436 M N 0.259 119.890 119.600 0.051 0.000 2.117 436 M HA -0.157 4.331 4.480 0.013 0.000 0.262 436 M C 2.575 178.830 176.300 -0.075 0.000 1.065 436 M CA 1.773 57.078 55.300 0.007 0.000 1.114 436 M CB -0.439 32.144 32.600 -0.029 0.000 1.361 436 M HN 0.673 nan 8.290 nan 0.000 0.408 437 S N 0.595 116.221 115.700 -0.122 0.000 2.374 437 S HA -0.218 4.260 4.470 0.013 0.000 0.227 437 S C 1.587 176.022 174.600 -0.276 0.000 1.037 437 S CA 1.737 59.797 58.200 -0.232 0.000 1.024 437 S CB -0.656 62.387 63.200 -0.261 0.000 0.861 437 S HN 0.551 nan 8.310 nan 0.000 0.456 438 E N 0.953 121.038 120.200 -0.191 0.000 2.153 438 E HA -0.073 4.285 4.350 0.013 0.000 0.194 438 E C 2.445 178.958 176.600 -0.144 0.000 0.988 438 E CA 0.897 57.190 56.400 -0.180 0.000 0.811 438 E CB -0.154 29.476 29.700 -0.117 0.000 0.746 438 E HN 0.598 nan 8.360 nan 0.000 0.466 439 R N 0.184 120.631 120.500 -0.089 0.000 2.148 439 R HA -0.051 4.297 4.340 0.013 0.000 0.223 439 R C 2.218 178.479 176.300 -0.066 0.000 1.088 439 R CA 0.617 56.695 56.100 -0.036 0.000 0.985 439 R CB 0.059 30.376 30.300 0.029 0.000 0.880 439 R HN 0.027 nan 8.270 nan 0.000 0.451 440 V N 0.219 120.050 119.914 -0.139 0.000 2.374 440 V HA -0.168 3.960 4.120 0.013 0.000 0.241 440 V C 2.511 178.428 176.094 -0.295 0.000 1.034 440 V CA 2.140 64.340 62.300 -0.167 0.000 1.037 440 V CB -0.142 31.576 31.823 -0.174 0.000 0.682 440 V HN 0.493 nan 8.190 nan 0.000 0.463 441 T N -1.028 113.222 114.554 -0.507 0.000 2.821 441 T HA -0.218 4.140 4.350 0.013 0.000 0.267 441 T C 1.931 176.456 174.700 -0.290 0.000 1.046 441 T CA 1.288 62.991 62.100 -0.662 0.000 1.139 441 T CB -0.392 67.867 68.868 -1.016 0.000 0.871 441 T HN 0.377 nan 8.240 nan 0.000 0.454 442 R N 0.251 120.611 120.500 -0.234 0.000 2.148 442 R HA 0.174 4.522 4.340 0.013 0.000 0.227 442 R C 2.627 178.840 176.300 -0.145 0.000 1.103 442 R CA 1.376 57.377 56.100 -0.165 0.000 0.983 442 R CB -0.451 29.764 30.300 -0.143 0.000 0.874 442 R HN 0.520 nan 8.270 nan 0.000 0.451 443 M N 0.569 120.090 119.600 -0.132 0.000 2.077 443 M HA -0.135 4.353 4.480 0.013 0.000 0.261 443 M C 1.858 178.065 176.300 -0.155 0.000 1.070 443 M CA 1.684 56.936 55.300 -0.081 0.000 1.125 443 M CB 0.040 32.642 32.600 0.003 0.000 1.339 443 M HN -0.043 nan 8.290 nan 0.000 0.409 444 V N 1.384 121.084 119.914 -0.356 0.000 2.332 444 V HA -0.305 3.823 4.120 0.013 0.000 0.248 444 V C 2.317 178.285 176.094 -0.210 0.000 1.055 444 V CA 2.179 64.133 62.300 -0.577 0.000 1.038 444 V CB -1.089 30.380 31.823 -0.592 0.000 0.651 444 V HN 0.611 nan 8.190 nan 0.000 0.450 445 Q N -0.589 119.129 119.800 -0.138 0.000 2.170 445 Q HA -0.229 4.119 4.340 0.013 0.000 0.203 445 Q C 2.446 178.351 176.000 -0.158 0.000 0.976 445 Q CA 1.610 57.343 55.803 -0.117 0.000 0.858 445 Q CB -0.206 28.486 28.738 -0.078 0.000 0.907 445 Q HN 0.562 nan 8.270 nan 0.000 0.433 446 R N 0.310 120.712 120.500 -0.164 0.000 2.090 446 R HA -0.077 4.271 4.340 0.013 0.000 0.219 446 R C 0.629 176.848 176.300 -0.135 0.000 1.100 446 R CA 1.202 57.178 56.100 -0.207 0.000 0.991 446 R CB 0.429 30.610 30.300 -0.200 0.000 0.893 446 R HN 0.143 nan 8.270 nan 0.000 0.443 447 D N 0.103 120.491 120.400 -0.020 0.000 2.360 447 D HA -0.022 4.626 4.640 0.013 0.000 0.210 447 D C 1.449 177.856 176.300 0.179 0.000 1.047 447 D CA 0.198 54.239 54.000 0.069 0.000 0.854 447 D CB 0.147 40.942 40.800 -0.008 0.000 0.936 447 D HN 0.360 nan 8.370 nan 0.000 0.514 448 R N 0.734 121.361 120.500 0.212 0.000 2.249 448 R HA -0.032 4.316 4.340 0.013 0.000 0.230 448 R C 0.710 177.018 176.300 0.012 0.000 1.121 448 R CA 0.933 57.162 56.100 0.215 0.000 0.997 448 R CB -0.322 30.036 30.300 0.097 0.000 0.867 448 R HN -0.042 nan 8.270 nan 0.000 0.465 449 N N 0.207 118.848 118.700 -0.099 0.000 2.280 449 N HA 0.011 4.759 4.740 0.013 0.000 0.192 449 N C -0.517 174.881 175.510 -0.186 0.000 1.109 449 N CA 0.177 53.145 53.050 -0.137 0.000 0.855 449 N CB 0.117 38.504 38.487 -0.167 0.000 0.974 449 N HN 0.276 nan 8.380 nan 0.000 0.482 450 H N 1.468 120.474 119.070 -0.106 0.000 2.742 450 H HA 0.094 4.657 4.556 0.013 0.000 0.302 450 H C -1.178 173.992 175.328 -0.263 0.000 1.069 450 H CA -1.113 54.853 56.048 -0.137 0.000 1.446 450 H CB 1.565 31.277 29.762 -0.083 0.000 1.462 450 H HN 0.064 nan 8.280 nan 0.000 0.499 451 P HA -0.136 nan 4.420 nan 0.000 0.219 451 P C 1.405 178.196 177.300 -0.849 0.000 1.150 451 P CA 1.021 63.742 63.100 -0.630 0.000 0.814 451 P CB 0.285 31.393 31.700 -0.987 0.000 0.787 452 S N -0.561 114.740 115.700 -0.665 0.000 2.419 452 S HA -0.054 4.424 4.470 0.013 0.000 0.233 452 S C 1.134 175.679 174.600 -0.093 0.000 1.016 452 S CA 0.443 58.430 58.200 -0.356 0.000 0.974 452 S CB -1.617 61.565 63.200 -0.029 0.000 0.786 452 S HN -0.053 nan 8.310 nan 0.000 0.492 453 V N 3.645 123.478 119.914 -0.135 0.000 2.446 453 V HA 0.211 4.339 4.120 0.013 0.000 0.276 453 V C 1.140 177.085 176.094 -0.249 0.000 1.030 453 V CA 0.098 62.286 62.300 -0.187 0.000 1.033 453 V CB 0.319 31.919 31.823 -0.372 0.000 0.993 453 V HN 0.634 nan 8.190 nan 0.000 0.477 454 I N 2.539 123.021 120.570 -0.146 0.000 4.187 454 I HA 0.521 4.700 4.170 0.013 0.000 0.326 454 I C 0.385 176.395 176.117 -0.178 0.000 1.302 454 I CA 0.529 61.760 61.300 -0.115 0.000 1.196 454 I CB 0.507 38.520 38.000 0.022 0.000 1.095 454 I HN 0.337 nan 8.210 nan 0.000 0.411 455 I N 0.015 120.450 120.570 -0.225 0.000 2.752 455 I HA 0.356 4.534 4.170 0.013 0.000 0.295 455 I C -1.623 174.392 176.117 -0.169 0.000 1.219 455 I CA -0.390 60.821 61.300 -0.149 0.000 1.030 455 I CB 2.239 40.245 38.000 0.010 0.000 1.259 455 I HN 0.022 nan 8.210 nan 0.000 0.423 456 W N 3.593 124.939 121.300 0.077 0.000 2.512 456 W HA 0.643 5.309 4.660 0.011 0.000 0.335 456 W C 0.310 176.892 176.519 0.105 0.000 1.088 456 W CA -0.650 56.746 57.345 0.086 0.000 1.236 456 W CB 1.766 31.272 29.460 0.076 0.000 1.307 456 W HN 0.283 nan 8.180 nan 0.000 0.567 457 S N 2.399 118.329 115.700 0.383 0.000 2.500 457 S HA 0.386 4.864 4.470 0.013 0.000 0.301 457 S C 0.312 175.080 174.600 0.280 0.000 1.092 457 S CA -0.693 57.681 58.200 0.291 0.000 1.030 457 S CB 0.798 64.124 63.200 0.209 0.000 1.031 457 S HN 0.574 nan 8.310 nan 0.000 0.483 458 L N 4.092 125.472 121.223 0.262 0.000 2.610 458 L HA 0.323 4.671 4.340 0.013 0.000 0.232 458 L C 1.412 178.353 176.870 0.117 0.000 1.149 458 L CA 0.558 55.477 54.840 0.131 0.000 0.872 458 L CB -1.087 40.950 42.059 -0.038 0.000 0.992 458 L HN 0.966 nan 8.230 nan 0.000 0.447 459 G N -0.178 108.774 108.800 0.254 0.000 2.250 459 G HA2 -0.104 3.864 3.960 0.013 0.000 0.252 459 G HA3 -0.104 3.864 3.960 0.013 0.000 0.252 459 G C -1.738 173.365 174.900 0.338 0.000 1.325 459 G CA -0.582 44.676 45.100 0.263 0.000 1.091 459 G HN 0.138 nan 8.290 nan 0.000 0.476 460 N N 0.187 119.028 118.700 0.236 0.000 2.308 460 N HA 0.479 5.227 4.740 0.013 0.000 0.283 460 N C -0.447 175.033 175.510 -0.050 0.000 1.105 460 N CA 0.011 53.053 53.050 -0.013 0.000 0.840 460 N CB 1.707 39.898 38.487 -0.494 0.000 1.633 460 N HN 0.841 nan 8.380 nan 0.000 0.476 461 E N 0.824 120.903 120.200 -0.201 0.000 2.202 461 E HA -0.180 4.178 4.350 0.013 0.000 0.169 461 E C -0.796 175.740 176.600 -0.107 0.000 1.536 461 E CA 0.733 56.943 56.400 -0.316 0.000 0.664 461 E CB -1.188 28.105 29.700 -0.678 0.000 1.064 461 E HN 0.446 nan 8.360 nan 0.000 0.327 462 S N 0.062 115.835 115.700 0.121 0.000 2.952 462 S HA 0.388 4.866 4.470 0.013 0.000 0.251 462 S C 0.579 175.358 174.600 0.298 0.000 1.021 462 S CA -0.110 58.227 58.200 0.229 0.000 1.067 462 S CB 1.433 64.821 63.200 0.314 0.000 1.002 462 S HN 0.861 nan 8.310 nan 0.000 0.574 463 G N 1.949 110.850 108.800 0.167 0.000 2.641 463 G HA2 -0.256 3.712 3.960 0.013 0.000 0.254 463 G HA3 -0.256 3.712 3.960 0.013 0.000 0.254 463 G C -0.562 174.550 174.900 0.352 0.000 1.315 463 G CA -0.204 45.001 45.100 0.174 0.000 0.907 463 G HN 0.636 nan 8.290 nan 0.000 0.572 464 H N 0.335 119.530 119.070 0.209 0.000 2.800 464 H HA 0.577 5.141 4.556 0.014 0.000 0.322 464 H C 0.328 175.834 175.328 0.297 0.000 0.979 464 H CA -0.118 56.095 56.048 0.275 0.000 1.277 464 H CB 0.658 30.507 29.762 0.145 0.000 1.484 464 H HN 1.051 nan 8.280 nan 0.000 0.512 465 G N 1.580 110.520 108.800 0.234 0.000 2.537 465 G HA2 0.448 4.417 3.960 0.013 0.000 0.308 465 G HA3 0.448 4.417 3.960 0.013 0.000 0.308 465 G C 0.605 175.428 174.900 -0.128 0.000 1.237 465 G CA -0.167 44.892 45.100 -0.068 0.000 0.968 465 G HN 0.685 nan 8.290 nan 0.000 0.481 466 A N 0.559 123.305 122.820 -0.125 0.000 2.024 466 A HA -0.100 4.228 4.320 0.013 0.000 0.220 466 A C 2.094 179.665 177.584 -0.022 0.000 1.164 466 A CA 1.812 53.813 52.037 -0.060 0.000 0.643 466 A CB -0.384 18.594 19.000 -0.037 0.000 0.806 466 A HN 0.534 nan 8.150 nan 0.000 0.451 467 N N -0.321 118.329 118.700 -0.084 0.000 2.289 467 N HA -0.124 4.624 4.740 0.013 0.000 0.184 467 N C 1.314 176.777 175.510 -0.079 0.000 1.016 467 N CA 1.568 54.557 53.050 -0.100 0.000 0.872 467 N CB -0.613 37.770 38.487 -0.172 0.000 0.973 467 N HN 0.787 nan 8.380 nan 0.000 0.433 468 H N 0.188 119.257 119.070 -0.002 0.000 2.357 468 H HA 0.007 4.571 4.556 0.014 0.000 0.301 468 H C 1.202 176.603 175.328 0.122 0.000 1.082 468 H CA 1.166 57.220 56.048 0.010 0.000 1.342 468 H CB 0.201 29.982 29.762 0.032 0.000 1.389 468 H HN 0.187 nan 8.280 nan 0.000 0.511 469 D N 0.477 121.040 120.400 0.271 0.000 2.117 469 D HA -0.115 4.533 4.640 0.013 0.000 0.198 469 D C 2.311 178.762 176.300 0.251 0.000 0.982 469 D CA 1.114 55.266 54.000 0.253 0.000 0.828 469 D CB -0.365 40.551 40.800 0.194 0.000 0.967 469 D HN 0.414 nan 8.370 nan 0.000 0.464 470 A N 1.054 123.975 122.820 0.168 0.000 1.883 470 A HA -0.145 4.183 4.320 0.013 0.000 0.217 470 A C 2.426 180.124 177.584 0.190 0.000 1.186 470 A CA 1.060 53.187 52.037 0.149 0.000 0.624 470 A CB -0.819 18.227 19.000 0.077 0.000 0.822 470 A HN 0.197 nan 8.150 nan 0.000 0.444 471 L N -2.288 119.033 121.223 0.164 0.000 2.109 471 L HA -0.149 4.200 4.340 0.013 0.000 0.207 471 L C 2.578 179.598 176.870 0.250 0.000 1.086 471 L CA 1.568 56.510 54.840 0.169 0.000 0.760 471 L CB -0.749 41.341 42.059 0.052 0.000 0.910 471 L HN 0.580 nan 8.230 nan 0.000 0.437 472 Y N 1.363 121.749 120.300 0.143 0.000 2.081 472 Y HA -0.352 4.204 4.550 0.010 0.000 0.280 472 Y C 2.853 178.831 175.900 0.129 0.000 1.163 472 Y CA 1.914 60.097 58.100 0.138 0.000 1.135 472 Y CB -0.185 38.356 38.460 0.136 0.000 0.970 472 Y HN -0.034 nan 8.280 nan 0.000 0.498 473 R N -0.265 120.353 120.500 0.196 0.000 2.096 473 R HA -0.204 4.144 4.340 0.013 0.000 0.235 473 R C 2.059 178.359 176.300 0.000 0.000 1.127 473 R CA 1.942 58.084 56.100 0.068 0.000 0.968 473 R CB -1.365 29.049 30.300 0.191 0.000 0.861 473 R HN 0.647 nan 8.270 nan 0.000 0.440 474 W N 0.624 121.885 121.300 -0.065 0.000 2.333 474 W HA -0.167 4.502 4.660 0.014 0.000 0.316 474 W C 1.634 178.064 176.519 -0.149 0.000 1.215 474 W CA 2.132 59.424 57.345 -0.088 0.000 1.278 474 W CB -0.359 29.053 29.460 -0.079 0.000 1.154 474 W HN 0.081 nan 8.180 nan 0.000 0.486 475 I N 0.922 121.480 120.570 -0.020 0.000 2.163 475 I HA -0.373 3.805 4.170 0.013 0.000 0.243 475 I C 2.465 178.356 176.117 -0.377 0.000 1.085 475 I CA 1.479 62.600 61.300 -0.297 0.000 1.347 475 I CB -0.860 37.043 38.000 -0.163 0.000 1.044 475 I HN -0.088 nan 8.210 nan 0.000 0.408 476 K N 0.840 121.031 120.400 -0.348 0.000 2.113 476 K HA -0.123 4.205 4.320 0.013 0.000 0.208 476 K C 2.236 178.686 176.600 -0.250 0.000 1.047 476 K CA 1.546 57.653 56.287 -0.299 0.000 0.928 476 K CB -0.499 31.790 32.500 -0.352 0.000 0.716 476 K HN 0.318 nan 8.250 nan 0.000 0.446 477 S N 0.600 116.119 115.700 -0.302 0.000 2.395 477 S HA -0.030 4.448 4.470 0.013 0.000 0.225 477 S C 2.180 176.565 174.600 -0.358 0.000 1.027 477 S CA 0.596 58.631 58.200 -0.275 0.000 0.965 477 S CB -0.018 63.023 63.200 -0.265 0.000 0.812 477 S HN -0.008 nan 8.310 nan 0.000 0.482 478 V N 1.390 120.947 119.914 -0.596 0.000 2.591 478 V HA 0.028 4.156 4.120 0.013 0.000 0.249 478 V C 0.452 176.311 176.094 -0.391 0.000 1.053 478 V CA 1.250 63.182 62.300 -0.613 0.000 1.068 478 V CB -0.166 30.956 31.823 -1.168 0.000 0.689 478 V HN 0.392 nan 8.190 nan 0.000 0.462 479 D N -0.835 119.377 120.400 -0.314 0.000 2.429 479 D HA 0.224 4.873 4.640 0.013 0.000 0.255 479 D C -2.029 174.246 176.300 -0.042 0.000 1.257 479 D CA -1.658 52.265 54.000 -0.129 0.000 0.890 479 D CB 1.527 42.324 40.800 -0.005 0.000 1.267 479 D HN 0.100 nan 8.370 nan 0.000 0.521 480 P HA -0.068 nan 4.420 nan 0.000 0.234 480 P C 1.129 178.442 177.300 0.022 0.000 1.167 480 P CA 0.482 63.568 63.100 -0.025 0.000 0.763 480 P CB 0.103 31.785 31.700 -0.029 0.000 0.835 481 S N -1.281 114.442 115.700 0.039 0.000 2.522 481 S HA 0.039 4.517 4.470 0.013 0.000 0.227 481 S C 0.878 175.506 174.600 0.046 0.000 0.986 481 S CA -0.114 58.115 58.200 0.049 0.000 0.929 481 S CB -0.376 62.847 63.200 0.039 0.000 0.769 481 S HN 0.097 nan 8.310 nan 0.000 0.529 482 R N 0.821 121.360 120.500 0.066 0.000 2.673 482 R HA 0.552 4.901 4.340 0.013 0.000 0.281 482 R C -3.224 173.129 176.300 0.087 0.000 0.991 482 R CA -2.219 53.894 56.100 0.023 0.000 0.896 482 R CB 1.421 31.640 30.300 -0.135 0.000 1.201 482 R HN 0.125 nan 8.270 nan 0.000 0.457 483 P HA 0.110 nan 4.420 nan 0.000 0.272 483 P C -0.865 176.540 177.300 0.174 0.000 1.240 483 P CA -0.397 62.767 63.100 0.107 0.000 0.791 483 P CB 0.656 32.404 31.700 0.080 0.000 0.978 484 V N 1.828 121.874 119.914 0.220 0.000 2.540 484 V HA 0.420 4.548 4.120 0.013 0.000 0.302 484 V C 0.136 176.413 176.094 0.306 0.000 1.035 484 V CA -0.343 62.135 62.300 0.296 0.000 0.873 484 V CB 1.309 33.294 31.823 0.269 0.000 0.992 484 V HN 0.622 nan 8.190 nan 0.000 0.428 485 Q N 3.652 123.613 119.800 0.267 0.000 2.458 485 Q HA 0.820 5.168 4.340 0.013 0.000 0.282 485 Q C -1.886 174.270 176.000 0.260 0.000 1.106 485 Q CA -0.925 55.002 55.803 0.205 0.000 0.814 485 Q CB 3.021 31.827 28.738 0.113 0.000 1.425 485 Q HN 0.624 nan 8.270 nan 0.000 0.437 486 Y N -0.077 120.223 120.300 0.001 0.000 2.409 486 Y HA 0.141 4.699 4.550 0.012 0.000 0.321 486 Y C -0.633 175.198 175.900 -0.115 0.000 1.209 486 Y CA -0.774 57.294 58.100 -0.054 0.000 1.086 486 Y CB 2.018 40.426 38.460 -0.085 0.000 1.320 486 Y HN 0.961 nan 8.280 nan 0.000 0.440 487 E N 3.273 122.980 120.200 -0.821 0.000 2.340 487 E HA 0.141 4.499 4.350 0.013 0.000 0.194 487 E C 0.646 176.802 176.600 -0.740 0.000 0.996 487 E CA 0.683 56.705 56.400 -0.630 0.000 0.869 487 E CB 0.286 29.743 29.700 -0.405 0.000 0.835 487 E HN 0.886 nan 8.360 nan 0.000 0.493 488 G N -0.063 107.913 108.800 -1.373 0.000 2.474 488 G HA2 0.223 4.191 3.960 0.013 0.000 0.233 488 G HA3 0.223 4.191 3.960 0.013 0.000 0.233 488 G C 0.808 175.538 174.900 -0.283 0.000 1.278 488 G CA 0.282 44.941 45.100 -0.734 0.000 0.861 488 G HN 0.339 nan 8.290 nan 0.000 0.567 489 G N -0.472 108.278 108.800 -0.084 0.000 2.160 489 G HA2 0.222 4.190 3.960 0.013 0.000 0.251 489 G HA3 0.222 4.190 3.960 0.013 0.000 0.251 489 G C 1.258 176.165 174.900 0.012 0.000 1.008 489 G CA 1.031 46.154 45.100 0.039 0.000 0.724 489 G HN 2.599 nan 8.290 nan 0.000 0.514 490 G N -1.639 107.155 108.800 -0.010 0.000 2.260 490 G HA2 0.426 4.394 3.960 0.013 0.000 0.179 490 G HA3 0.426 4.394 3.960 0.013 0.000 0.179 490 G C 1.120 176.127 174.900 0.180 0.000 1.002 490 G CA 1.293 46.451 45.100 0.098 0.000 0.677 490 G HN 2.318 nan 8.290 nan 0.000 0.486 491 A N -0.139 122.669 122.820 -0.021 0.000 3.420 491 A HA -0.104 4.224 4.320 0.013 0.000 0.269 491 A C 1.040 178.546 177.584 -0.130 0.000 1.122 491 A CA 2.641 54.602 52.037 -0.126 0.000 1.023 491 A CB -1.799 17.103 19.000 -0.164 0.000 1.099 491 A HN 2.091 nan 8.150 nan 0.000 0.860 492 D N -1.221 119.186 120.400 0.011 0.000 2.712 492 D HA 0.307 4.955 4.640 0.013 0.000 0.300 492 D C 0.389 176.685 176.300 -0.007 0.000 1.521 492 D CA 0.735 54.748 54.000 0.023 0.000 0.790 492 D CB -1.157 39.800 40.800 0.262 0.000 1.155 492 D HN 0.807 nan 8.370 nan 0.000 0.456 493 T N -2.354 112.127 114.554 -0.121 0.000 2.698 493 T HA 0.198 4.556 4.350 0.013 0.000 0.295 493 T C 1.608 176.177 174.700 -0.219 0.000 1.007 493 T CA 0.441 62.404 62.100 -0.229 0.000 0.980 493 T CB 0.823 69.295 68.868 -0.660 0.000 1.036 493 T HN 0.088 nan 8.240 nan 0.000 0.526 494 T N -2.436 111.998 114.554 -0.199 0.000 3.163 494 T HA 0.200 4.558 4.350 0.013 0.000 0.260 494 T C 1.497 175.957 174.700 -0.400 0.000 1.156 494 T CA 0.294 62.283 62.100 -0.186 0.000 1.072 494 T CB -0.508 68.333 68.868 -0.044 0.000 0.937 494 T HN 0.837 nan 8.240 nan 0.000 0.528 495 A N 0.444 123.030 122.820 -0.390 0.000 2.460 495 A HA 0.510 4.838 4.320 0.013 0.000 0.258 495 A C 0.815 178.216 177.584 -0.306 0.000 1.300 495 A CA -0.310 51.472 52.037 -0.426 0.000 0.913 495 A CB 0.074 19.058 19.000 -0.026 0.000 1.031 495 A HN 0.424 nan 8.150 nan 0.000 0.512 496 T N -1.480 112.904 114.554 -0.283 0.000 2.952 496 T HA 0.375 4.733 4.350 0.013 0.000 0.305 496 T C -0.606 174.106 174.700 0.020 0.000 1.064 496 T CA -0.425 61.660 62.100 -0.025 0.000 1.008 496 T CB 1.283 70.133 68.868 -0.029 0.000 1.078 496 T HN 0.069 nan 8.240 nan 0.000 0.459 497 D N 2.818 123.316 120.400 0.164 0.000 2.348 497 D HA 0.273 4.921 4.640 0.013 0.000 0.211 497 D C 0.343 176.674 176.300 0.052 0.000 0.998 497 D CA 0.694 54.777 54.000 0.138 0.000 0.873 497 D CB 0.357 41.270 40.800 0.188 0.000 0.925 497 D HN 0.544 nan 8.370 nan 0.000 0.524 498 I N 1.045 121.627 120.570 0.019 0.000 2.498 498 I HA 0.260 4.438 4.170 0.013 0.000 0.290 498 I C -0.183 175.866 176.117 -0.114 0.000 1.032 498 I CA -0.884 60.393 61.300 -0.039 0.000 1.073 498 I CB 2.732 40.723 38.000 -0.014 0.000 1.251 498 I HN -0.350 nan 8.210 nan 0.000 0.426 499 I N 5.797 126.252 120.570 -0.193 0.000 2.436 499 I HA 0.073 4.252 4.170 0.013 0.000 0.289 499 I C 0.204 176.110 176.117 -0.351 0.000 1.083 499 I CA -0.092 60.994 61.300 -0.357 0.000 1.372 499 I CB 0.201 37.870 38.000 -0.551 0.000 1.408 499 I HN 0.672 nan 8.210 nan 0.000 0.516 500 C N 5.630 124.737 119.300 -0.321 0.000 3.276 500 C HA 0.480 4.948 4.460 0.013 0.000 0.226 500 C C -2.139 172.712 174.990 -0.230 0.000 1.502 500 C CA -2.322 56.561 59.018 -0.225 0.000 1.488 500 C CB -0.939 26.728 27.740 -0.122 0.000 2.014 500 C HN 0.419 nan 8.230 nan 0.000 0.492 501 P HA 0.316 nan 4.420 nan 0.000 0.273 501 P C -0.458 176.784 177.300 -0.097 0.000 1.250 501 P CA 0.295 63.294 63.100 -0.169 0.000 0.793 501 P CB 0.741 32.375 31.700 -0.111 0.000 1.011 502 M N 0.089 119.654 119.600 -0.057 0.000 2.190 502 M HA 0.447 4.935 4.480 0.013 0.000 0.312 502 M C -0.897 175.378 176.300 -0.042 0.000 0.990 502 M CA -0.673 54.481 55.300 -0.243 0.000 0.927 502 M CB 1.368 33.811 32.600 -0.262 0.000 1.571 502 M HN 0.343 nan 8.290 nan 0.000 0.427 503 Y N -0.204 120.251 120.300 0.260 0.000 4.490 503 Y HA -0.213 4.345 4.550 0.015 0.000 0.233 503 Y C 0.450 176.513 175.900 0.272 0.000 1.101 503 Y CA 0.398 58.652 58.100 0.257 0.000 2.010 503 Y CB -2.259 36.316 38.460 0.193 0.000 1.622 503 Y HN 0.978 nan 8.280 nan 0.000 0.675 504 A N 1.127 124.159 122.820 0.353 0.000 2.425 504 A HA 0.608 4.936 4.320 0.013 0.000 0.249 504 A C 0.690 178.501 177.584 0.378 0.000 1.084 504 A CA -0.474 51.777 52.037 0.357 0.000 0.781 504 A CB 0.422 19.673 19.000 0.418 0.000 1.019 504 A HN 0.419 nan 8.150 nan 0.000 0.490 505 R N 1.358 122.011 120.500 0.254 0.000 2.543 505 R HA 0.347 4.696 4.340 0.013 0.000 0.268 505 R C 1.007 177.283 176.300 -0.039 0.000 1.067 505 R CA -0.722 55.455 56.100 0.129 0.000 1.142 505 R CB 0.662 31.003 30.300 0.069 0.000 1.110 505 R HN 0.487 nan 8.270 nan 0.000 0.549 506 V N 0.663 120.389 119.914 -0.312 0.000 2.244 506 V HA -0.204 3.924 4.120 0.013 0.000 0.244 506 V C 0.972 176.949 176.094 -0.195 0.000 1.042 506 V CA 1.852 63.928 62.300 -0.373 0.000 1.006 506 V CB -0.245 31.223 31.823 -0.591 0.000 0.641 506 V HN 0.744 nan 8.190 nan 0.000 0.446 507 D N -1.330 118.985 120.400 -0.141 0.000 2.454 507 D HA 0.098 4.746 4.640 0.013 0.000 0.219 507 D C 0.928 177.211 176.300 -0.028 0.000 1.081 507 D CA 0.090 54.044 54.000 -0.076 0.000 0.867 507 D CB 0.583 41.344 40.800 -0.066 0.000 1.054 507 D HN 0.505 nan 8.370 nan 0.000 0.500 508 E N 1.815 122.001 120.200 -0.022 0.000 2.167 508 E HA 0.107 4.466 4.350 0.013 0.000 0.284 508 E C -0.790 175.810 176.600 -0.001 0.000 1.016 508 E CA -0.599 55.797 56.400 -0.007 0.000 0.817 508 E CB 0.870 30.567 29.700 -0.006 0.000 1.080 508 E HN -0.199 nan 8.360 nan 0.000 0.397 509 D N 3.579 123.981 120.400 0.004 0.000 2.339 509 D HA 0.123 4.771 4.640 0.013 0.000 0.245 509 D C -0.586 175.610 176.300 -0.173 0.000 1.115 509 D CA 0.256 54.252 54.000 -0.005 0.000 0.917 509 D CB 1.102 41.969 40.800 0.112 0.000 1.192 509 D HN 0.417 nan 8.370 nan 0.000 0.428 510 Q N 1.325 120.894 119.800 -0.387 0.000 3.090 510 Q HA 0.234 4.582 4.340 0.013 0.000 0.241 510 Q C -2.243 173.134 176.000 -1.039 0.000 0.958 510 Q CA -1.443 53.931 55.803 -0.714 0.000 0.715 510 Q CB 2.375 30.678 28.738 -0.724 0.000 1.298 510 Q HN 0.185 nan 8.270 nan 0.000 0.468 511 P HA -0.007 nan 4.420 nan 0.000 0.225 511 P C -0.631 176.368 177.300 -0.502 0.000 1.768 511 P CA -0.087 62.609 63.100 -0.673 0.000 0.943 511 P CB -0.631 30.890 31.700 -0.299 0.000 1.936 512 F N 1.729 121.521 119.950 -0.264 0.000 2.595 512 F HA 0.106 4.641 4.527 0.013 0.000 0.359 512 F C -1.195 174.507 175.800 -0.163 0.000 1.147 512 F CA -2.087 55.812 58.000 -0.169 0.000 1.341 512 F CB -0.762 38.154 39.000 -0.140 0.000 1.104 512 F HN 0.068 nan 8.300 nan 0.000 0.603 513 P HA 0.154 nan 4.420 nan 0.000 0.271 513 P C 0.317 177.642 177.300 0.041 0.000 1.216 513 P CA 0.925 64.048 63.100 0.039 0.000 0.776 513 P CB 1.265 32.987 31.700 0.037 0.000 0.881 514 A N 2.577 125.413 122.820 0.027 0.000 2.617 514 A HA -0.248 4.080 4.320 0.013 0.000 0.236 514 A C 0.728 178.328 177.584 0.027 0.000 0.551 514 A CA 2.078 54.135 52.037 0.033 0.000 1.144 514 A CB -2.711 16.308 19.000 0.031 0.000 1.384 514 A HN 0.689 nan 8.150 nan 0.000 0.694 515 V N -2.950 116.975 119.914 0.019 0.000 2.468 515 V HA 0.564 4.692 4.120 0.013 0.000 0.256 515 V C -2.317 173.769 176.094 -0.014 0.000 0.998 515 V CA -1.324 60.984 62.300 0.013 0.000 1.114 515 V CB 0.534 32.367 31.823 0.017 0.000 1.378 515 V HN 0.499 nan 8.190 nan 0.000 0.573 516 P HA 0.215 nan 4.420 nan 0.000 0.269 516 P C -0.579 176.309 177.300 -0.687 0.000 1.215 516 P CA 0.224 62.958 63.100 -0.609 0.000 0.780 516 P CB 0.901 31.774 31.700 -1.378 0.000 0.898 517 K N 2.152 122.195 120.400 -0.595 0.000 2.419 517 K HA 0.208 4.536 4.320 0.013 0.000 0.244 517 K C -0.369 175.930 176.600 -0.503 0.000 1.045 517 K CA -0.273 55.833 56.287 -0.302 0.000 1.004 517 K CB 0.389 32.980 32.500 0.151 0.000 1.376 517 K HN 0.471 nan 8.250 nan 0.000 0.460 518 W N 1.366 122.375 121.300 -0.485 0.000 2.126 518 W HA 0.026 4.695 4.660 0.016 0.000 0.346 518 W C 1.358 177.864 176.519 -0.022 0.000 1.279 518 W CA -0.496 56.639 57.345 -0.350 0.000 1.259 518 W CB 0.446 29.520 29.460 -0.644 0.000 1.133 518 W HN 0.374 nan 8.180 nan 0.000 0.592 519 S N 2.948 118.799 115.700 0.252 0.000 2.558 519 S HA -0.075 4.403 4.470 0.013 0.000 0.293 519 S C 1.161 175.902 174.600 0.234 0.000 1.292 519 S CA -0.159 58.136 58.200 0.158 0.000 1.063 519 S CB 0.168 63.411 63.200 0.072 0.000 0.831 519 S HN 0.506 nan 8.310 nan 0.000 0.499 520 I N 2.082 122.759 120.570 0.179 0.000 2.286 520 I HA -0.145 4.033 4.170 0.013 0.000 0.248 520 I C 2.117 178.265 176.117 0.051 0.000 1.115 520 I CA 1.300 62.713 61.300 0.188 0.000 1.392 520 I CB -0.429 37.630 38.000 0.099 0.000 1.065 520 I HN 0.597 nan 8.210 nan 0.000 0.418 521 K N 1.447 121.769 120.400 -0.130 0.000 2.057 521 K HA -0.166 4.162 4.320 0.013 0.000 0.207 521 K C 2.312 178.903 176.600 -0.015 0.000 1.049 521 K CA 1.688 57.805 56.287 -0.283 0.000 0.931 521 K CB -0.176 32.087 32.500 -0.396 0.000 0.714 521 K HN 0.367 nan 8.250 nan 0.000 0.440 522 K N 0.059 120.477 120.400 0.030 0.000 2.097 522 K HA -0.179 4.149 4.320 0.013 0.000 0.205 522 K C 1.911 178.544 176.600 0.054 0.000 1.050 522 K CA 0.963 57.259 56.287 0.016 0.000 0.938 522 K CB -0.097 32.381 32.500 -0.037 0.000 0.718 522 K HN 0.222 nan 8.250 nan 0.000 0.442 523 W N 2.166 123.469 121.300 0.004 0.000 2.321 523 W HA -0.212 4.454 4.660 0.009 0.000 0.306 523 W C 1.633 178.147 176.519 -0.008 0.000 1.217 523 W CA 1.195 58.560 57.345 0.033 0.000 1.257 523 W CB -0.670 28.877 29.460 0.145 0.000 1.145 523 W HN 0.100 nan 8.180 nan 0.000 0.509 524 L N 0.739 122.133 121.223 0.284 0.000 2.043 524 L HA -0.264 4.084 4.340 0.013 0.000 0.212 524 L C 2.254 179.198 176.870 0.123 0.000 1.075 524 L CA 2.118 57.057 54.840 0.166 0.000 0.752 524 L CB -1.157 40.985 42.059 0.139 0.000 0.891 524 L HN -0.018 nan 8.230 nan 0.000 0.432 525 S N -1.180 114.576 115.700 0.094 0.000 2.597 525 S HA 0.243 4.721 4.470 0.013 0.000 0.224 525 S C 0.593 175.189 174.600 -0.006 0.000 0.955 525 S CA -0.486 57.740 58.200 0.043 0.000 0.933 525 S CB -0.541 62.681 63.200 0.037 0.000 0.788 525 S HN 0.159 nan 8.310 nan 0.000 0.488 526 L N 1.980 123.194 121.223 -0.016 0.000 2.506 526 L HA 0.195 4.543 4.340 0.013 0.000 0.281 526 L C -2.209 174.636 176.870 -0.042 0.000 1.228 526 L CA -1.620 53.163 54.840 -0.095 0.000 0.850 526 L CB -0.306 41.676 42.059 -0.129 0.000 1.110 526 L HN 0.016 nan 8.230 nan 0.000 0.496 527 P HA -0.041 nan 4.420 nan 0.000 0.261 527 P C 0.724 178.020 177.300 -0.006 0.000 1.173 527 P CA 1.073 64.154 63.100 -0.032 0.000 0.760 527 P CB 0.539 32.215 31.700 -0.041 0.000 0.783 528 G N 1.720 110.523 108.800 0.005 0.000 2.184 528 G HA2 -0.288 3.680 3.960 0.013 0.000 0.264 528 G HA3 -0.288 3.680 3.960 0.013 0.000 0.264 528 G C 0.260 175.179 174.900 0.031 0.000 0.975 528 G CA 0.224 45.334 45.100 0.017 0.000 0.642 528 G HN 0.614 nan 8.290 nan 0.000 0.536 529 E N 0.913 121.137 120.200 0.040 0.000 2.289 529 E HA 0.604 4.962 4.350 0.013 0.000 0.278 529 E C 1.319 177.948 176.600 0.048 0.000 1.032 529 E CA 0.535 56.973 56.400 0.062 0.000 0.854 529 E CB 0.774 30.539 29.700 0.109 0.000 1.046 529 E HN 0.491 nan 8.360 nan 0.000 0.409 530 T N 0.704 115.282 114.554 0.040 0.000 3.087 530 T HA 0.343 4.701 4.350 0.013 0.000 0.283 530 T C 0.579 175.292 174.700 0.021 0.000 0.956 530 T CA -0.464 61.654 62.100 0.030 0.000 0.894 530 T CB 0.092 68.976 68.868 0.027 0.000 1.160 530 T HN 0.246 nan 8.240 nan 0.000 0.532 531 R N 2.331 122.839 120.500 0.014 0.000 2.637 531 R HA 0.460 4.808 4.340 0.013 0.000 0.269 531 R C -2.520 173.764 176.300 -0.028 0.000 1.089 531 R CA -1.840 54.256 56.100 -0.006 0.000 1.177 531 R CB 0.092 30.380 30.300 -0.020 0.000 1.091 531 R HN 0.225 nan 8.270 nan 0.000 0.540 532 P HA 0.096 nan 4.420 nan 0.000 0.277 532 P C -1.112 176.124 177.300 -0.107 0.000 1.240 532 P CA -0.134 62.929 63.100 -0.061 0.000 0.798 532 P CB 0.747 32.411 31.700 -0.058 0.000 0.979 533 L N 3.076 124.220 121.223 -0.132 0.000 2.349 533 L HA 0.567 4.915 4.340 0.013 0.000 0.278 533 L C -0.919 175.821 176.870 -0.216 0.000 0.996 533 L CA -0.684 54.039 54.840 -0.195 0.000 0.825 533 L CB 0.589 42.532 42.059 -0.193 0.000 1.243 533 L HN 0.239 nan 8.230 nan 0.000 0.412 534 I N 5.723 126.169 120.570 -0.205 0.000 2.468 534 I HA 0.258 4.436 4.170 0.013 0.000 0.285 534 I C -0.811 175.219 176.117 -0.145 0.000 1.039 534 I CA -0.623 60.542 61.300 -0.224 0.000 1.074 534 I CB 1.991 39.911 38.000 -0.134 0.000 1.228 534 I HN 0.471 nan 8.210 nan 0.000 0.436 535 L N 5.747 126.859 121.223 -0.185 0.000 2.410 535 L HA 0.059 4.407 4.340 0.013 0.000 0.273 535 L C 1.488 178.434 176.870 0.127 0.000 1.144 535 L CA -0.211 54.585 54.840 -0.074 0.000 0.863 535 L CB 0.607 42.603 42.059 -0.105 0.000 1.140 535 L HN 0.851 nan 8.230 nan 0.000 0.463 536 C N 0.283 119.636 119.300 0.088 0.000 2.432 536 C HA 0.094 4.562 4.460 0.013 0.000 0.280 536 C C 0.677 175.802 174.990 0.226 0.000 1.353 536 C CA -0.071 59.038 59.018 0.151 0.000 1.766 536 C CB -1.053 26.693 27.740 0.009 0.000 1.924 536 C HN 0.836 nan 8.230 nan 0.000 0.509 537 E N -1.049 119.205 120.200 0.090 0.000 2.335 537 E HA 0.632 4.990 4.350 0.013 0.000 0.280 537 E C -1.323 175.235 176.600 -0.069 0.000 0.918 537 E CA -0.451 56.002 56.400 0.088 0.000 0.765 537 E CB 2.094 31.672 29.700 -0.205 0.000 1.218 537 E HN 0.668 nan 8.360 nan 0.000 0.425 538 Y N -1.117 119.185 120.300 0.002 0.000 2.689 538 Y HA 0.624 5.183 4.550 0.015 0.000 0.333 538 Y C -0.746 175.332 175.900 0.297 0.000 1.208 538 Y CA -0.868 57.254 58.100 0.036 0.000 1.055 538 Y CB 0.845 39.157 38.460 -0.246 0.000 1.304 538 Y HN 0.663 nan 8.280 nan 0.000 0.455 539 A N 1.965 124.840 122.820 0.090 0.000 2.251 539 A HA -0.270 4.058 4.320 0.013 0.000 0.283 539 A C -0.342 177.355 177.584 0.189 0.000 1.415 539 A CA 1.117 53.208 52.037 0.090 0.000 0.742 539 A CB -2.460 16.505 19.000 -0.059 0.000 1.151 539 A HN 1.086 nan 8.150 nan 0.000 0.354 540 H N 0.826 120.037 119.070 0.236 0.000 3.191 540 H HA 0.268 4.832 4.556 0.013 0.000 0.261 540 H C 1.153 176.539 175.328 0.097 0.000 1.013 540 H CA 0.814 57.003 56.048 0.235 0.000 1.457 540 H CB 0.435 30.238 29.762 0.067 0.000 1.535 540 H HN 0.766 nan 8.280 nan 0.000 0.518 541 A N 6.440 129.161 122.820 -0.165 0.000 2.416 541 A HA 0.028 4.356 4.320 0.013 0.000 0.252 541 A C 1.066 178.511 177.584 -0.232 0.000 1.353 541 A CA -0.375 51.548 52.037 -0.189 0.000 0.996 541 A CB -0.674 18.199 19.000 -0.211 0.000 0.961 541 A HN 0.817 nan 8.150 nan 0.000 0.523 542 M N 1.287 120.731 119.600 -0.259 0.000 2.292 542 M HA 0.412 4.900 4.480 0.013 0.000 0.342 542 M C 1.057 177.248 176.300 -0.182 0.000 1.538 542 M CA 1.252 56.435 55.300 -0.195 0.000 1.163 542 M CB -0.407 32.169 32.600 -0.040 0.000 1.823 542 M HN 0.770 nan 8.290 nan 0.000 0.462 543 G N 4.495 113.159 108.800 -0.226 0.000 2.583 543 G HA2 -0.361 3.607 3.960 0.013 0.000 0.292 543 G HA3 -0.361 3.607 3.960 0.013 0.000 0.292 543 G C -0.123 174.283 174.900 -0.823 0.000 1.203 543 G CA 0.227 44.999 45.100 -0.546 0.000 0.987 543 G HN 0.849 nan 8.290 nan 0.000 0.554 544 N N 1.433 119.483 118.700 -1.083 0.000 2.466 544 N HA 0.489 5.237 4.740 0.013 0.000 0.263 544 N C -0.022 175.262 175.510 -0.377 0.000 1.178 544 N CA 1.118 53.724 53.050 -0.740 0.000 0.983 544 N CB 0.345 38.435 38.487 -0.662 0.000 1.331 544 N HN 0.789 nan 8.380 nan 0.000 0.500 545 S N 1.954 117.516 115.700 -0.230 0.000 2.903 545 S HA 0.642 5.120 4.470 0.013 0.000 0.314 545 S C -0.079 174.471 174.600 -0.084 0.000 1.177 545 S CA -0.373 57.744 58.200 -0.138 0.000 0.859 545 S CB 0.244 63.379 63.200 -0.108 0.000 1.265 545 S HN 0.363 nan 8.310 nan 0.000 0.584 546 L N 0.007 121.211 121.223 -0.032 0.000 4.696 546 L HA -0.046 4.302 4.340 0.013 0.000 0.398 546 L C 0.540 177.460 176.870 0.082 0.000 0.971 546 L CA 0.830 55.672 54.840 0.004 0.000 1.427 546 L CB -1.733 40.244 42.059 -0.137 0.000 1.965 546 L HN 0.734 nan 8.230 nan 0.000 0.593 547 G N -0.759 108.059 108.800 0.030 0.000 2.365 547 G HA2 0.470 4.438 3.960 0.013 0.000 0.249 547 G HA3 0.470 4.438 3.960 0.013 0.000 0.249 547 G C 1.232 176.178 174.900 0.077 0.000 1.288 547 G CA 0.241 45.334 45.100 -0.012 0.000 0.887 547 G HN 1.347 nan 8.290 nan 0.000 0.524 548 G N 1.657 110.488 108.800 0.052 0.000 2.157 548 G HA2 -0.319 3.650 3.960 0.013 0.000 0.248 548 G HA3 -0.319 3.650 3.960 0.013 0.000 0.248 548 G C 0.982 176.064 174.900 0.304 0.000 0.979 548 G CA 0.750 45.937 45.100 0.145 0.000 0.650 548 G HN 0.774 nan 8.290 nan 0.000 0.529 549 F N 1.842 121.917 119.950 0.208 0.000 2.095 549 F HA 0.146 4.681 4.527 0.015 0.000 0.298 549 F C 2.698 178.711 175.800 0.355 0.000 1.104 549 F CA 2.566 60.763 58.000 0.329 0.000 1.232 549 F CB -0.469 38.659 39.000 0.214 0.000 0.987 549 F HN 0.338 nan 8.300 nan 0.000 0.475 550 A N -0.280 122.706 122.820 0.276 0.000 2.024 550 A HA -0.255 4.073 4.320 0.013 0.000 0.220 550 A C 2.289 179.892 177.584 0.032 0.000 1.164 550 A CA 1.804 53.936 52.037 0.158 0.000 0.643 550 A CB -0.852 18.245 19.000 0.162 0.000 0.806 550 A HN 0.473 nan 8.150 nan 0.000 0.451 551 K N -1.635 118.765 120.400 0.000 0.000 2.097 551 K HA -0.171 4.157 4.320 0.013 0.000 0.206 551 K C 1.697 178.063 176.600 -0.389 0.000 1.049 551 K CA 1.575 57.775 56.287 -0.145 0.000 0.933 551 K CB -0.293 32.126 32.500 -0.135 0.000 0.717 551 K HN 0.592 nan 8.250 nan 0.000 0.442 552 Y N -0.752 119.269 120.300 -0.464 0.000 2.114 552 Y HA -0.247 4.311 4.550 0.012 0.000 0.284 552 Y C 2.046 176.984 175.900 -1.604 0.000 1.143 552 Y CA 1.608 59.083 58.100 -1.041 0.000 1.135 552 Y CB -0.350 37.528 38.460 -0.970 0.000 0.980 552 Y HN 0.166 nan 8.280 nan 0.000 0.499 553 W N 0.090 120.950 121.300 -0.734 0.000 2.338 553 W HA -0.232 4.437 4.660 0.016 0.000 0.304 553 W C 2.638 178.971 176.519 -0.310 0.000 1.212 553 W CA 1.644 58.688 57.345 -0.502 0.000 1.264 553 W CB -0.703 28.566 29.460 -0.318 0.000 1.142 553 W HN 0.069 nan 8.180 nan 0.000 0.512 554 Q N 0.822 120.526 119.800 -0.160 0.000 2.124 554 Q HA -0.171 4.177 4.340 0.013 0.000 0.202 554 Q C 2.149 178.076 176.000 -0.122 0.000 0.977 554 Q CA 2.138 57.889 55.803 -0.088 0.000 0.850 554 Q CB -0.646 28.062 28.738 -0.050 0.000 0.901 554 Q HN 0.276 nan 8.270 nan 0.000 0.429 555 A N -0.181 122.467 122.820 -0.287 0.000 1.897 555 A HA -0.073 4.255 4.320 0.013 0.000 0.215 555 A C 2.059 179.601 177.584 -0.071 0.000 1.181 555 A CA 0.899 52.809 52.037 -0.212 0.000 0.620 555 A CB -0.988 17.763 19.000 -0.416 0.000 0.821 555 A HN 0.462 nan 8.150 nan 0.000 0.443 556 F N -0.222 119.548 119.950 -0.301 0.000 2.126 556 F HA -0.236 4.299 4.527 0.013 0.000 0.299 556 F C 2.765 178.464 175.800 -0.169 0.000 1.096 556 F CA 1.193 58.984 58.000 -0.349 0.000 1.255 556 F CB -0.188 38.383 39.000 -0.715 0.000 0.997 556 F HN 0.160 nan 8.300 nan 0.000 0.479 557 R N 0.040 120.589 120.500 0.081 0.000 2.075 557 R HA -0.179 4.170 4.340 0.013 0.000 0.232 557 R C 2.147 178.479 176.300 0.053 0.000 1.126 557 R CA 1.344 57.478 56.100 0.058 0.000 0.963 557 R CB -0.462 29.867 30.300 0.049 0.000 0.858 557 R HN 0.362 nan 8.270 nan 0.000 0.435 558 Q N -0.367 119.488 119.800 0.092 0.000 2.187 558 Q HA -0.064 4.284 4.340 0.013 0.000 0.199 558 Q C -0.444 175.579 176.000 0.038 0.000 0.957 558 Q CA 0.920 56.767 55.803 0.074 0.000 0.857 558 Q CB 0.376 29.197 28.738 0.139 0.000 0.929 558 Q HN 0.206 nan 8.270 nan 0.000 0.453 559 Y N 0.092 120.375 120.300 -0.029 0.000 2.385 559 Y HA 0.247 4.804 4.550 0.012 0.000 0.341 559 Y C -1.782 174.096 175.900 -0.037 0.000 0.965 559 Y CA -2.769 55.315 58.100 -0.027 0.000 1.180 559 Y CB 1.348 39.797 38.460 -0.018 0.000 1.139 559 Y HN 0.125 nan 8.280 nan 0.000 0.502 560 P HA -0.188 nan 4.420 nan 0.000 0.215 560 P C 1.173 178.480 177.300 0.011 0.000 1.157 560 P CA 1.907 65.010 63.100 0.005 0.000 0.874 560 P CB 0.303 31.991 31.700 -0.021 0.000 0.790 561 R N -1.189 119.336 120.500 0.043 0.000 2.307 561 R HA 0.079 4.427 4.340 0.013 0.000 0.199 561 R C 0.442 176.734 176.300 -0.012 0.000 1.000 561 R CA 0.133 56.242 56.100 0.015 0.000 1.023 561 R CB -0.551 29.767 30.300 0.030 0.000 0.908 561 R HN 0.236 nan 8.270 nan 0.000 0.473 562 L N 2.003 123.241 121.223 0.026 0.000 2.334 562 L HA 0.111 4.459 4.340 0.013 0.000 0.286 562 L C 0.512 177.256 176.870 -0.209 0.000 1.108 562 L CA 0.188 54.999 54.840 -0.048 0.000 0.875 562 L CB 0.974 43.071 42.059 0.064 0.000 1.246 562 L HN 0.091 nan 8.230 nan 0.000 0.439 563 Q N 2.809 122.407 119.800 -0.336 0.000 2.211 563 Q HA 0.313 4.661 4.340 0.013 0.000 0.231 563 Q C 0.898 176.483 176.000 -0.692 0.000 0.865 563 Q CA 0.123 55.683 55.803 -0.405 0.000 0.997 563 Q CB 0.984 29.575 28.738 -0.244 0.000 1.101 563 Q HN 0.951 nan 8.270 nan 0.000 0.468 564 G N -0.193 107.806 108.800 -1.336 0.000 2.445 564 G HA2 0.076 4.044 3.960 0.013 0.000 0.212 564 G HA3 0.076 4.044 3.960 0.013 0.000 0.212 564 G C -0.223 173.827 174.900 -1.417 0.000 1.217 564 G CA -0.729 43.165 45.100 -2.010 0.000 1.002 564 G HN 0.621 nan 8.290 nan 0.000 0.574 565 G N -2.247 106.020 108.800 -0.889 0.000 2.342 565 G HA2 0.639 4.607 3.960 0.013 0.000 0.297 565 G HA3 0.639 4.607 3.960 0.013 0.000 0.297 565 G C -1.848 172.985 174.900 -0.111 0.000 1.313 565 G CA -0.238 44.565 45.100 -0.495 0.000 0.830 565 G HN 1.158 nan 8.290 nan 0.000 0.506 566 F N 0.620 120.810 119.950 0.399 0.000 2.427 566 F HA 0.531 5.066 4.527 0.012 0.000 0.348 566 F C 0.769 176.863 175.800 0.490 0.000 1.125 566 F CA -0.757 57.507 58.000 0.439 0.000 0.989 566 F CB 2.083 41.233 39.000 0.249 0.000 1.165 566 F HN 0.262 nan 8.300 nan 0.000 0.442 567 V N 3.219 123.429 119.914 0.492 0.000 2.872 567 V HA -0.127 4.001 4.120 0.013 0.000 0.307 567 V C -0.288 175.955 176.094 0.249 0.000 1.072 567 V CA -0.232 62.147 62.300 0.131 0.000 1.148 567 V CB 0.824 32.737 31.823 0.150 0.000 0.954 567 V HN 0.761 nan 8.190 nan 0.000 0.490 568 W N 6.300 127.672 121.300 0.119 0.000 2.296 568 W HA 0.471 5.139 4.660 0.013 0.000 0.316 568 W C -0.901 175.597 176.519 -0.035 0.000 1.022 568 W CA -0.678 56.758 57.345 0.152 0.000 1.324 568 W CB 1.303 31.016 29.460 0.421 0.000 1.227 568 W HN 0.916 nan 8.180 nan 0.000 0.409 569 D N 2.823 122.910 120.400 -0.522 0.000 2.812 569 D HA 0.098 4.746 4.640 0.013 0.000 0.318 569 D C 0.592 176.638 176.300 -0.424 0.000 1.234 569 D CA -0.560 52.985 54.000 -0.757 0.000 0.989 569 D CB 0.215 39.918 40.800 -1.828 0.000 1.442 569 D HN 0.401 nan 8.370 nan 0.000 0.537 570 W N 0.545 121.509 121.300 -0.558 0.000 2.408 570 W HA 0.174 4.842 4.660 0.014 0.000 0.311 570 W C -0.232 176.044 176.519 -0.405 0.000 1.190 570 W CA 1.071 58.146 57.345 -0.450 0.000 1.321 570 W CB 0.401 29.620 29.460 -0.402 0.000 1.143 570 W HN 0.168 nan 8.180 nan 0.000 0.501 571 V N 2.680 122.330 119.914 -0.441 0.000 2.709 571 V HA 0.250 4.378 4.120 0.013 0.000 0.308 571 V C -0.970 174.907 176.094 -0.361 0.000 1.062 571 V CA -0.793 61.204 62.300 -0.505 0.000 0.901 571 V CB 1.578 33.219 31.823 -0.304 0.000 1.003 571 V HN -0.121 nan 8.190 nan 0.000 0.425 572 D N 4.103 124.294 120.400 -0.348 0.000 2.493 572 D HA 0.092 4.740 4.640 0.013 0.000 0.240 572 D C 0.341 176.472 176.300 -0.283 0.000 1.142 572 D CA 0.684 54.538 54.000 -0.243 0.000 0.872 572 D CB 0.889 41.641 40.800 -0.080 0.000 1.173 572 D HN 0.610 nan 8.370 nan 0.000 0.467 573 Q N 1.234 120.785 119.800 -0.415 0.000 3.170 573 Q HA 0.108 4.456 4.340 0.013 0.000 0.346 573 Q C 0.002 175.916 176.000 -0.143 0.000 1.333 573 Q CA -0.296 54.996 55.803 -0.853 0.000 0.958 573 Q CB 0.031 28.408 28.738 -0.602 0.000 1.600 573 Q HN 0.379 nan 8.270 nan 0.000 0.482 574 S N -0.241 115.517 115.700 0.096 0.000 2.616 574 S HA 0.602 5.080 4.470 0.013 0.000 0.277 574 S C -0.122 174.677 174.600 0.332 0.000 1.234 574 S CA -0.769 57.614 58.200 0.305 0.000 1.028 574 S CB 1.290 64.653 63.200 0.272 0.000 0.988 574 S HN 0.326 nan 8.310 nan 0.000 0.522 575 L N 1.874 123.236 121.223 0.232 0.000 2.334 575 L HA 0.530 4.878 4.340 0.013 0.000 0.273 575 L C -0.390 176.414 176.870 -0.110 0.000 1.013 575 L CA -1.234 53.621 54.840 0.025 0.000 0.816 575 L CB 1.306 43.272 42.059 -0.155 0.000 1.278 575 L HN 0.543 nan 8.230 nan 0.000 0.431 576 I N 2.222 122.663 120.570 -0.215 0.000 2.474 576 I HA 0.298 4.477 4.170 0.013 0.000 0.287 576 I C 0.187 175.897 176.117 -0.679 0.000 1.048 576 I CA -0.045 60.982 61.300 -0.454 0.000 1.383 576 I CB 1.036 38.771 38.000 -0.442 0.000 1.412 576 I HN 0.588 nan 8.210 nan 0.000 0.531 577 K N 4.937 124.641 120.400 -1.159 0.000 2.395 577 K HA 0.567 4.896 4.320 0.013 0.000 0.245 577 K C -1.603 174.152 176.600 -1.409 0.000 1.017 577 K CA -0.717 54.782 56.287 -1.314 0.000 0.852 577 K CB 2.348 33.727 32.500 -1.867 0.000 1.311 577 K HN 0.231 nan 8.250 nan 0.000 0.452 578 Y N 0.735 120.755 120.300 -0.467 0.000 2.409 578 Y HA 0.149 4.707 4.550 0.014 0.000 0.343 578 Y C 0.070 176.094 175.900 0.208 0.000 0.973 578 Y CA -1.094 56.945 58.100 -0.103 0.000 1.064 578 Y CB 1.288 39.709 38.460 -0.065 0.000 1.207 578 Y HN 0.663 nan 8.280 nan 0.000 0.452 579 D N 0.179 120.855 120.400 0.460 0.000 2.433 579 D HA 0.064 4.712 4.640 0.013 0.000 0.255 579 D C 0.888 177.305 176.300 0.194 0.000 1.226 579 D CA -0.344 53.851 54.000 0.324 0.000 1.015 579 D CB 0.687 41.591 40.800 0.173 0.000 1.091 579 D HN 0.398 nan 8.370 nan 0.000 0.527 580 E N -0.067 120.205 120.200 0.119 0.000 2.200 580 E HA -0.242 4.116 4.350 0.013 0.000 0.211 580 E C 1.317 177.955 176.600 0.063 0.000 1.048 580 E CA 1.507 57.951 56.400 0.072 0.000 0.851 580 E CB -0.464 29.260 29.700 0.041 0.000 0.747 580 E HN 0.616 nan 8.360 nan 0.000 0.462 581 N N -0.714 118.030 118.700 0.074 0.000 2.398 581 N HA 0.023 4.771 4.740 0.013 0.000 0.188 581 N C 1.127 176.681 175.510 0.074 0.000 1.122 581 N CA 0.863 53.950 53.050 0.061 0.000 0.866 581 N CB 0.823 39.343 38.487 0.054 0.000 0.970 581 N HN 0.244 nan 8.380 nan 0.000 0.462 582 G N 0.991 109.860 108.800 0.116 0.000 2.132 582 G HA2 -0.226 3.742 3.960 0.013 0.000 0.234 582 G HA3 -0.226 3.742 3.960 0.013 0.000 0.234 582 G C -0.470 174.581 174.900 0.252 0.000 0.989 582 G CA -0.471 44.707 45.100 0.130 0.000 0.676 582 G HN 0.311 nan 8.290 nan 0.000 0.522 583 N N 1.931 120.775 118.700 0.240 0.000 2.434 583 N HA 0.429 5.178 4.740 0.013 0.000 0.272 583 N C -2.431 173.221 175.510 0.238 0.000 1.040 583 N CA -1.126 52.054 53.050 0.217 0.000 0.956 583 N CB 1.950 40.527 38.487 0.150 0.000 1.108 583 N HN 0.204 nan 8.380 nan 0.000 0.481 584 P HA 0.203 nan 4.420 nan 0.000 0.275 584 P C -0.495 176.773 177.300 -0.053 0.000 1.227 584 P CA -0.255 62.707 63.100 -0.230 0.000 0.781 584 P CB 0.645 32.209 31.700 -0.226 0.000 0.906 585 W N -0.083 120.984 121.300 -0.389 0.000 3.107 585 W HA 0.440 5.108 4.660 0.013 0.000 0.331 585 W C -1.480 174.873 176.519 -0.277 0.000 1.204 585 W CA -1.127 56.006 57.345 -0.353 0.000 1.184 585 W CB 0.526 29.586 29.460 -0.666 0.000 1.421 585 W HN 0.112 nan 8.180 nan 0.000 0.544 586 S N 1.635 117.433 115.700 0.163 0.000 2.448 586 S HA 0.548 5.026 4.470 0.013 0.000 0.279 586 S C 0.165 174.944 174.600 0.299 0.000 1.195 586 S CA -0.211 58.079 58.200 0.151 0.000 1.051 586 S CB 0.642 63.983 63.200 0.234 0.000 0.948 586 S HN 0.581 nan 8.310 nan 0.000 0.493 587 A N 3.243 126.097 122.820 0.057 0.000 2.320 587 A HA 0.871 5.199 4.320 0.013 0.000 0.334 587 A C -0.692 177.144 177.584 0.421 0.000 1.147 587 A CA -0.717 51.380 52.037 0.101 0.000 0.820 587 A CB 0.677 19.387 19.000 -0.484 0.000 1.218 587 A HN 0.836 nan 8.150 nan 0.000 0.482 588 Y N -0.610 120.015 120.300 0.543 0.000 2.857 588 Y HA 0.768 5.326 4.550 0.014 0.000 0.318 588 Y C 0.581 176.870 175.900 0.649 0.000 1.313 588 Y CA -1.457 56.977 58.100 0.558 0.000 1.117 588 Y CB 0.007 38.617 38.460 0.249 0.000 1.344 588 Y HN 0.938 nan 8.280 nan 0.000 0.525 589 G N -0.004 109.214 108.800 0.697 0.000 2.224 589 G HA2 0.373 4.341 3.960 0.013 0.000 0.239 589 G HA3 0.373 4.341 3.960 0.013 0.000 0.239 589 G C 0.942 176.164 174.900 0.537 0.000 1.240 589 G CA 0.481 45.903 45.100 0.537 0.000 0.896 589 G HN 2.007 nan 8.290 nan 0.000 0.496 590 G N 2.323 111.410 108.800 0.478 0.000 2.299 590 G HA2 -0.291 3.677 3.960 0.013 0.000 0.237 590 G HA3 -0.291 3.677 3.960 0.013 0.000 0.237 590 G C 0.971 176.055 174.900 0.307 0.000 1.027 590 G CA 0.687 45.998 45.100 0.351 0.000 0.619 590 G HN 0.647 nan 8.290 nan 0.000 0.513 591 D N -0.035 120.555 120.400 0.316 0.000 2.384 591 D HA 0.101 4.750 4.640 0.013 0.000 0.222 591 D C 1.350 177.538 176.300 -0.187 0.000 0.976 591 D CA 0.643 54.671 54.000 0.046 0.000 0.915 591 D CB -0.233 40.533 40.800 -0.056 0.000 0.896 591 D HN 0.502 nan 8.370 nan 0.000 0.523 592 F N -1.255 118.821 119.950 0.211 0.000 2.683 592 F HA 0.310 4.845 4.527 0.014 0.000 0.306 592 F C 1.805 177.689 175.800 0.139 0.000 1.102 592 F CA -0.095 57.986 58.000 0.135 0.000 1.244 592 F CB 0.859 39.927 39.000 0.114 0.000 1.029 592 F HN -0.044 nan 8.300 nan 0.000 0.545 593 G N 0.385 109.340 108.800 0.258 0.000 2.176 593 G HA2 -0.267 3.701 3.960 0.013 0.000 0.253 593 G HA3 -0.267 3.701 3.960 0.013 0.000 0.253 593 G C -0.215 174.817 174.900 0.220 0.000 0.979 593 G CA 0.117 45.337 45.100 0.199 0.000 0.641 593 G HN 0.390 nan 8.290 nan 0.000 0.530 594 D N 0.481 121.059 120.400 0.297 0.000 2.390 594 D HA 0.523 5.171 4.640 0.013 0.000 0.249 594 D C 0.074 176.495 176.300 0.201 0.000 1.144 594 D CA 0.869 55.034 54.000 0.274 0.000 0.880 594 D CB 1.721 42.750 40.800 0.381 0.000 1.182 594 D HN 0.257 nan 8.370 nan 0.000 0.451 595 T N 1.017 115.659 114.554 0.147 0.000 2.977 595 T HA 0.375 4.733 4.350 0.013 0.000 0.345 595 T C -2.708 172.028 174.700 0.061 0.000 1.562 595 T CA -1.071 61.085 62.100 0.094 0.000 1.090 595 T CB 1.017 69.941 68.868 0.093 0.000 1.383 595 T HN 0.257 nan 8.240 nan 0.000 0.484 596 P HA 0.457 nan 4.420 nan 0.000 0.271 596 P C -0.896 176.391 177.300 -0.022 0.000 1.233 596 P CA -0.219 62.877 63.100 -0.006 0.000 0.789 596 P CB 0.267 31.939 31.700 -0.047 0.000 0.951 597 N N -1.817 116.860 118.700 -0.038 0.000 2.825 597 N HA 0.303 5.051 4.740 0.013 0.000 0.253 597 N C -1.214 174.214 175.510 -0.135 0.000 1.426 597 N CA -0.793 52.202 53.050 -0.091 0.000 0.851 597 N CB 0.822 39.344 38.487 0.059 0.000 1.470 597 N HN 0.070 nan 8.380 nan 0.000 0.517 598 D N -0.070 120.180 120.400 -0.250 0.000 2.670 598 D HA 0.206 4.854 4.640 0.013 0.000 0.255 598 D C 0.223 176.636 176.300 0.188 0.000 1.286 598 D CA -0.224 53.699 54.000 -0.128 0.000 0.830 598 D CB 0.157 40.781 40.800 -0.293 0.000 1.065 598 D HN 0.481 nan 8.370 nan 0.000 0.486 599 R N 0.824 121.477 120.500 0.255 0.000 3.682 599 R HA -0.267 4.081 4.340 0.013 0.000 0.519 599 R C 1.417 177.773 176.300 0.094 0.000 0.241 599 R CA 1.400 57.687 56.100 0.311 0.000 1.619 599 R CB -1.627 28.757 30.300 0.140 0.000 0.923 599 R HN 0.288 nan 8.270 nan 0.000 0.598 600 Q N 1.629 121.168 119.800 -0.435 0.000 2.482 600 Q HA -0.023 4.325 4.340 0.013 0.000 0.209 600 Q C 1.632 177.464 176.000 -0.279 0.000 0.961 600 Q CA 1.051 56.416 55.803 -0.731 0.000 0.945 600 Q CB -0.181 27.953 28.738 -1.006 0.000 1.012 600 Q HN 0.543 nan 8.270 nan 0.000 0.515 601 F N 2.269 122.121 119.950 -0.163 0.000 2.449 601 F HA -0.145 4.390 4.527 0.013 0.000 0.299 601 F C 1.917 177.657 175.800 -0.099 0.000 1.092 601 F CA 0.852 58.833 58.000 -0.032 0.000 1.446 601 F CB -0.065 38.983 39.000 0.080 0.000 1.084 601 F HN 0.433 nan 8.300 nan 0.000 0.567 602 C N -1.136 117.781 119.300 -0.639 0.000 2.618 602 C HA 0.272 4.741 4.460 0.013 0.000 0.264 602 C C 1.065 175.760 174.990 -0.493 0.000 1.334 602 C CA -0.517 57.945 59.018 -0.925 0.000 1.731 602 C CB -1.771 24.875 27.740 -1.823 0.000 1.852 602 C HN 0.204 nan 8.230 nan 0.000 0.566 603 M N 2.754 122.138 119.600 -0.360 0.000 2.103 603 M HA 0.278 4.766 4.480 0.013 0.000 0.350 603 M C -0.421 175.735 176.300 -0.240 0.000 1.100 603 M CA 0.391 55.553 55.300 -0.231 0.000 1.042 603 M CB -0.153 32.379 32.600 -0.112 0.000 1.368 603 M HN 0.376 nan 8.290 nan 0.000 0.404 604 N N 0.916 119.452 118.700 -0.274 0.000 2.232 604 N HA 0.186 4.934 4.740 0.013 0.000 0.240 604 N C 0.365 175.648 175.510 -0.379 0.000 1.307 604 N CA -0.536 52.313 53.050 -0.335 0.000 0.859 604 N CB 1.223 39.535 38.487 -0.293 0.000 1.260 604 N HN 0.661 nan 8.380 nan 0.000 0.501 605 G N 0.010 108.566 108.800 -0.406 0.000 2.537 605 G HA2 0.331 4.299 3.960 0.013 0.000 0.273 605 G HA3 0.331 4.299 3.960 0.013 0.000 0.273 605 G C 0.716 175.178 174.900 -0.731 0.000 1.189 605 G CA -0.509 44.247 45.100 -0.573 0.000 0.881 605 G HN 0.107 nan 8.290 nan 0.000 0.535 606 L N -0.153 120.618 121.223 -0.753 0.000 2.341 606 L HA 0.131 4.479 4.340 0.013 0.000 0.214 606 L C 0.818 177.032 176.870 -1.094 0.000 1.115 606 L CA 0.316 54.722 54.840 -0.723 0.000 0.820 606 L CB -0.245 41.528 42.059 -0.477 0.000 0.944 606 L HN 0.385 nan 8.230 nan 0.000 0.452 607 V N -4.833 114.315 119.914 -1.276 0.000 2.914 607 V HA 0.465 4.593 4.120 0.013 0.000 0.314 607 V C -0.256 175.299 176.094 -0.898 0.000 1.084 607 V CA -1.239 60.428 62.300 -1.056 0.000 0.963 607 V CB 1.587 32.866 31.823 -0.907 0.000 1.025 607 V HN -0.134 nan 8.190 nan 0.000 0.432 608 F N 1.763 121.538 119.950 -0.291 0.000 2.485 608 F HA 0.511 5.046 4.527 0.014 0.000 0.327 608 F C 1.945 177.666 175.800 -0.131 0.000 1.203 608 F CA 0.620 58.603 58.000 -0.028 0.000 1.295 608 F CB 1.009 40.029 39.000 0.034 0.000 1.191 608 F HN 0.786 nan 8.300 nan 0.000 0.588 609 A N 0.856 123.762 122.820 0.144 0.000 2.024 609 A HA -0.225 4.103 4.320 0.013 0.000 0.220 609 A C 1.570 179.142 177.584 -0.020 0.000 1.164 609 A CA 1.873 53.947 52.037 0.061 0.000 0.643 609 A CB -0.921 18.152 19.000 0.121 0.000 0.806 609 A HN 0.790 nan 8.150 nan 0.000 0.451 610 D N -3.029 117.378 120.400 0.012 0.000 2.325 610 D HA 0.170 4.818 4.640 0.013 0.000 0.225 610 D C 0.609 176.901 176.300 -0.013 0.000 1.096 610 D CA -0.075 53.899 54.000 -0.044 0.000 0.844 610 D CB -0.053 40.723 40.800 -0.041 0.000 0.925 610 D HN 0.200 nan 8.370 nan 0.000 0.513 611 R N -1.921 118.573 120.500 -0.011 0.000 3.804 611 R HA -0.118 4.230 4.340 0.013 0.000 0.459 611 R C -0.281 176.023 176.300 0.008 0.000 1.009 611 R CA 1.053 57.138 56.100 -0.026 0.000 1.210 611 R CB -3.254 27.065 30.300 0.031 0.000 1.860 611 R HN 0.238 nan 8.270 nan 0.000 0.526 612 T N 2.549 117.154 114.554 0.085 0.000 2.884 612 T HA 0.394 4.752 4.350 0.013 0.000 0.298 612 T C -2.307 172.511 174.700 0.197 0.000 0.998 612 T CA -0.974 61.208 62.100 0.136 0.000 1.124 612 T CB 1.141 70.106 68.868 0.161 0.000 0.931 612 T HN -0.108 nan 8.240 nan 0.000 0.531 613 P HA 0.207 nan 4.420 nan 0.000 0.274 613 P C -0.235 177.143 177.300 0.130 0.000 1.231 613 P CA -0.296 62.805 63.100 0.002 0.000 0.790 613 P CB 0.458 32.162 31.700 0.006 0.000 0.951 614 H N 1.906 120.823 119.070 -0.255 0.000 2.508 614 H HA 0.145 4.709 4.556 0.014 0.000 0.358 614 H C -1.315 173.934 175.328 -0.132 0.000 1.212 614 H CA -1.977 53.905 56.048 -0.278 0.000 1.356 614 H CB 0.438 29.993 29.762 -0.346 0.000 1.525 614 H HN 0.319 nan 8.280 nan 0.000 0.578 615 P HA -0.144 nan 4.420 nan 0.000 0.218 615 P C 1.138 178.450 177.300 0.019 0.000 1.149 615 P CA 1.322 64.432 63.100 0.016 0.000 0.817 615 P CB 0.033 31.743 31.700 0.017 0.000 0.785 616 A N -0.525 122.308 122.820 0.022 0.000 2.076 616 A HA -0.172 4.156 4.320 0.013 0.000 0.220 616 A C 2.043 179.576 177.584 -0.086 0.000 1.160 616 A CA 1.135 53.145 52.037 -0.046 0.000 0.653 616 A CB -1.563 17.389 19.000 -0.080 0.000 0.801 616 A HN 0.172 nan 8.150 nan 0.000 0.455 617 L N -0.273 120.917 121.223 -0.055 0.000 2.131 617 L HA -0.103 4.245 4.340 0.013 0.000 0.210 617 L C 2.312 179.217 176.870 0.057 0.000 1.092 617 L CA 2.627 57.461 54.840 -0.011 0.000 0.759 617 L CB -0.740 41.308 42.059 -0.018 0.000 0.903 617 L HN 0.353 nan 8.230 nan 0.000 0.435 618 T N -1.382 113.219 114.554 0.077 0.000 2.904 618 T HA -0.128 4.230 4.350 0.013 0.000 0.267 618 T C 1.676 176.485 174.700 0.182 0.000 1.059 618 T CA 1.171 63.380 62.100 0.181 0.000 1.137 618 T CB -0.053 68.913 68.868 0.162 0.000 0.879 618 T HN 0.318 nan 8.240 nan 0.000 0.467 619 E N 1.759 122.003 120.200 0.074 0.000 2.072 619 E HA 0.004 4.362 4.350 0.013 0.000 0.191 619 E C 2.250 178.833 176.600 -0.028 0.000 0.985 619 E CA 1.238 57.677 56.400 0.066 0.000 0.801 619 E CB -0.490 29.214 29.700 0.006 0.000 0.750 619 E HN 0.426 nan 8.360 nan 0.000 0.452 620 A N 0.970 123.663 122.820 -0.212 0.000 1.902 620 A HA -0.209 4.119 4.320 0.013 0.000 0.217 620 A C 2.159 179.603 177.584 -0.233 0.000 1.181 620 A CA 1.842 53.679 52.037 -0.334 0.000 0.623 620 A CB -0.610 18.166 19.000 -0.373 0.000 0.818 620 A HN 0.255 nan 8.150 nan 0.000 0.443 621 K N -1.183 119.161 120.400 -0.094 0.000 2.063 621 K HA -0.290 4.039 4.320 0.013 0.000 0.208 621 K C 2.035 178.508 176.600 -0.213 0.000 1.048 621 K CA 2.030 58.276 56.287 -0.068 0.000 0.928 621 K CB -0.325 32.287 32.500 0.187 0.000 0.713 621 K HN 0.664 nan 8.250 nan 0.000 0.442 622 H N 0.313 119.175 119.070 -0.346 0.000 2.326 622 H HA -0.006 4.559 4.556 0.014 0.000 0.301 622 H C 1.983 177.036 175.328 -0.457 0.000 1.081 622 H CA 1.690 57.348 56.048 -0.649 0.000 1.334 622 H CB 0.112 29.507 29.762 -0.612 0.000 1.385 622 H HN 0.216 nan 8.280 nan 0.000 0.504 623 Q N 0.256 119.801 119.800 -0.424 0.000 2.167 623 Q HA -0.099 4.249 4.340 0.013 0.000 0.202 623 Q C 1.535 177.021 176.000 -0.857 0.000 0.970 623 Q CA 1.252 56.755 55.803 -0.499 0.000 0.855 623 Q CB 0.030 28.677 28.738 -0.151 0.000 0.911 623 Q HN 0.713 nan 8.270 nan 0.000 0.438 624 Q N 0.301 119.543 119.800 -0.931 0.000 2.280 624 Q HA 0.077 4.425 4.340 0.013 0.000 0.202 624 Q C -0.055 175.386 176.000 -0.933 0.000 0.903 624 Q CA -0.212 54.883 55.803 -1.180 0.000 0.948 624 Q CB 0.333 28.402 28.738 -1.116 0.000 1.058 624 Q HN 0.388 nan 8.270 nan 0.000 0.493 625 Q N -0.484 118.923 119.800 -0.655 0.000 2.479 625 Q HA -0.032 4.316 4.340 0.013 0.000 0.267 625 Q C -0.083 175.541 176.000 -0.626 0.000 1.071 625 Q CA 0.448 55.992 55.803 -0.431 0.000 0.935 625 Q CB 0.400 28.983 28.738 -0.258 0.000 1.295 625 Q HN 0.291 nan 8.270 nan 0.000 0.476 626 F N -0.495 119.199 119.950 -0.426 0.000 2.695 626 F HA 0.243 4.777 4.527 0.013 0.000 0.303 626 F C -0.214 174.939 175.800 -1.077 0.000 1.091 626 F CA -0.113 57.372 58.000 -0.858 0.000 1.300 626 F CB 0.591 38.709 39.000 -1.469 0.000 1.071 626 F HN 0.279 nan 8.300 nan 0.000 0.578 627 F N 0.553 120.415 119.950 -0.147 0.000 2.507 627 F HA 0.534 5.070 4.527 0.015 0.000 0.325 627 F C -0.048 175.418 175.800 -0.557 0.000 1.116 627 F CA -1.100 56.704 58.000 -0.327 0.000 0.930 627 F CB 1.203 39.998 39.000 -0.342 0.000 1.146 627 F HN -0.297 nan 8.300 nan 0.000 0.447 628 Q N 2.812 122.349 119.800 -0.437 0.000 2.348 628 Q HA 0.624 4.972 4.340 0.013 0.000 0.271 628 Q C -1.359 174.350 176.000 -0.486 0.000 1.067 628 Q CA -0.715 54.874 55.803 -0.357 0.000 0.839 628 Q CB 3.065 31.725 28.738 -0.131 0.000 1.354 628 Q HN 0.600 nan 8.270 nan 0.000 0.447 629 F N 0.251 120.332 119.950 0.218 0.000 2.599 629 F HA 0.637 5.173 4.527 0.014 0.000 0.311 629 F C 0.190 176.217 175.800 0.379 0.000 1.076 629 F CA -1.011 57.184 58.000 0.324 0.000 0.937 629 F CB 1.792 41.104 39.000 0.519 0.000 1.282 629 F HN 0.094 nan 8.300 nan 0.000 0.460 630 R N 1.475 122.279 120.500 0.507 0.000 2.698 630 R HA 0.652 5.001 4.340 0.013 0.000 0.275 630 R C -1.986 174.354 176.300 0.066 0.000 1.001 630 R CA -1.090 55.219 56.100 0.348 0.000 0.896 630 R CB 2.355 32.764 30.300 0.182 0.000 1.218 630 R HN 0.663 nan 8.270 nan 0.000 0.462 631 L N 0.009 121.128 121.223 -0.173 0.000 2.365 631 L HA 0.692 5.040 4.340 0.013 0.000 0.273 631 L C -0.803 175.902 176.870 -0.275 0.000 1.000 631 L CA 0.086 54.617 54.840 -0.516 0.000 0.819 631 L CB 2.203 43.509 42.059 -1.255 0.000 1.284 631 L HN 0.550 nan 8.230 nan 0.000 0.418 632 S N 3.501 119.065 115.700 -0.228 0.000 2.571 632 S HA 0.660 5.138 4.470 0.013 0.000 0.238 632 S C 0.143 174.655 174.600 -0.147 0.000 1.153 632 S CA 0.250 58.363 58.200 -0.144 0.000 1.141 632 S CB 0.076 63.226 63.200 -0.084 0.000 1.133 632 S HN 1.580 nan 8.310 nan 0.000 0.464 633 G N 4.684 113.394 108.800 -0.150 0.000 2.609 633 G HA2 -0.347 3.621 3.960 0.013 0.000 0.288 633 G HA3 -0.347 3.621 3.960 0.013 0.000 0.288 633 G C 0.470 175.267 174.900 -0.171 0.000 1.211 633 G CA 0.741 45.761 45.100 -0.134 0.000 0.963 633 G HN 1.049 nan 8.290 nan 0.000 0.541 634 Q N -0.215 119.489 119.800 -0.160 0.000 2.219 634 Q HA 0.509 4.857 4.340 0.013 0.000 0.209 634 Q C 0.277 176.151 176.000 -0.211 0.000 0.854 634 Q CA 0.876 56.563 55.803 -0.193 0.000 0.960 634 Q CB 0.496 29.115 28.738 -0.198 0.000 1.116 634 Q HN 0.463 nan 8.270 nan 0.000 0.500 635 T N 1.503 115.945 114.554 -0.187 0.000 2.771 635 T HA 0.531 4.889 4.350 0.013 0.000 0.281 635 T C -0.467 174.120 174.700 -0.188 0.000 0.982 635 T CA -0.487 61.517 62.100 -0.160 0.000 0.978 635 T CB 1.057 69.860 68.868 -0.108 0.000 0.930 635 T HN 0.191 nan 8.240 nan 0.000 0.447 636 I N 2.749 123.222 120.570 -0.162 0.000 2.336 636 I HA 0.299 4.477 4.170 0.013 0.000 0.292 636 I C 0.523 176.649 176.117 0.015 0.000 0.991 636 I CA -0.593 60.634 61.300 -0.122 0.000 1.227 636 I CB 1.385 39.339 38.000 -0.077 0.000 1.366 636 I HN 0.560 nan 8.210 nan 0.000 0.466 637 E N 6.589 126.829 120.200 0.066 0.000 2.109 637 E HA 0.393 4.751 4.350 0.013 0.000 0.278 637 E C -1.404 175.292 176.600 0.159 0.000 0.954 637 E CA -0.580 55.875 56.400 0.092 0.000 0.779 637 E CB 1.356 31.097 29.700 0.067 0.000 1.093 637 E HN 0.341 nan 8.360 nan 0.000 0.401 638 V N 4.094 124.080 119.914 0.119 0.000 2.427 638 V HA 0.323 4.451 4.120 0.013 0.000 0.286 638 V C 0.097 176.201 176.094 0.017 0.000 1.034 638 V CA -0.569 61.757 62.300 0.044 0.000 0.893 638 V CB 1.687 33.553 31.823 0.071 0.000 0.982 638 V HN 0.681 nan 8.190 nan 0.000 0.452 639 T N 3.191 117.716 114.554 -0.048 0.000 2.807 639 T HA 0.361 4.719 4.350 0.013 0.000 0.279 639 T C -0.080 174.618 174.700 -0.004 0.000 0.993 639 T CA -0.277 61.815 62.100 -0.013 0.000 0.970 639 T CB 1.582 70.427 68.868 -0.039 0.000 0.950 639 T HN 0.719 nan 8.240 nan 0.000 0.441 640 S N 1.788 117.502 115.700 0.024 0.000 2.525 640 S HA 0.232 4.710 4.470 0.013 0.000 0.278 640 S C 0.713 175.196 174.600 -0.195 0.000 1.234 640 S CA -0.549 57.602 58.200 -0.080 0.000 1.058 640 S CB 0.622 63.857 63.200 0.059 0.000 0.983 640 S HN 0.720 nan 8.310 nan 0.000 0.495 641 E N 2.951 122.926 120.200 -0.375 0.000 2.465 641 E HA 0.103 4.461 4.350 0.013 0.000 0.195 641 E C -0.773 175.672 176.600 -0.258 0.000 1.028 641 E CA -0.122 56.106 56.400 -0.287 0.000 0.899 641 E CB 0.281 29.788 29.700 -0.323 0.000 1.032 641 E HN 0.691 nan 8.360 nan 0.000 0.468 642 Y N 0.280 120.478 120.300 -0.171 0.000 2.397 642 Y HA 0.014 4.572 4.550 0.013 0.000 0.335 642 Y C 1.431 177.179 175.900 -0.253 0.000 1.213 642 Y CA -0.075 57.923 58.100 -0.170 0.000 1.391 642 Y CB 0.803 39.145 38.460 -0.196 0.000 1.293 642 Y HN -0.023 nan 8.280 nan 0.000 0.557 643 L N 1.204 122.280 121.223 -0.246 0.000 2.408 643 L HA 0.056 4.404 4.340 0.013 0.000 0.215 643 L C 0.620 177.050 176.870 -0.733 0.000 1.081 643 L CA 0.660 55.105 54.840 -0.657 0.000 0.840 643 L CB 0.027 41.318 42.059 -1.280 0.000 1.002 643 L HN 0.653 nan 8.230 nan 0.000 0.468 644 F N -0.564 119.407 119.950 0.034 0.000 2.699 644 F HA 0.213 4.747 4.527 0.012 0.000 0.295 644 F C 1.238 177.022 175.800 -0.026 0.000 1.052 644 F CA -0.797 57.194 58.000 -0.016 0.000 1.239 644 F CB 0.333 39.300 39.000 -0.056 0.000 1.018 644 F HN -0.148 nan 8.300 nan 0.000 0.627 645 R N 0.078 120.618 120.500 0.067 0.000 2.643 645 R HA 0.480 4.828 4.340 0.013 0.000 0.272 645 R C -1.076 175.222 176.300 -0.002 0.000 0.995 645 R CA -0.712 55.377 56.100 -0.017 0.000 1.032 645 R CB 0.868 31.043 30.300 -0.207 0.000 1.126 645 R HN 0.039 nan 8.270 nan 0.000 0.505 646 H N 0.223 119.274 119.070 -0.031 0.000 2.505 646 H HA 0.118 4.682 4.556 0.013 0.000 0.355 646 H C -0.073 175.269 175.328 0.024 0.000 1.179 646 H CA 0.108 56.169 56.048 0.022 0.000 1.343 646 H CB 1.229 31.007 29.762 0.027 0.000 1.501 646 H HN 0.743 nan 8.280 nan 0.000 0.569 647 S N 2.002 117.595 115.700 -0.180 0.000 4.183 647 S HA -0.018 4.460 4.470 0.013 0.000 0.195 647 S C -0.036 174.642 174.600 0.129 0.000 1.421 647 S CA -0.318 57.922 58.200 0.067 0.000 0.920 647 S CB -0.754 62.511 63.200 0.109 0.000 1.525 647 S HN 0.700 nan 8.310 nan 0.000 0.447 648 D N 0.594 121.090 120.400 0.161 0.000 2.352 648 D HA 0.062 4.710 4.640 0.013 0.000 0.236 648 D C 0.263 176.616 176.300 0.089 0.000 1.148 648 D CA -0.270 53.821 54.000 0.152 0.000 0.844 648 D CB -0.392 40.487 40.800 0.132 0.000 0.933 648 D HN 0.481 nan 8.370 nan 0.000 0.507 649 N N 0.120 118.872 118.700 0.088 0.000 2.639 649 N HA 0.148 4.896 4.740 0.013 0.000 0.265 649 N C -1.609 173.959 175.510 0.096 0.000 1.689 649 N CA -0.176 52.919 53.050 0.075 0.000 0.813 649 N CB 0.291 38.816 38.487 0.063 0.000 1.353 649 N HN -0.041 nan 8.380 nan 0.000 0.510 650 E N -0.220 120.025 120.200 0.075 0.000 2.363 650 E HA 0.563 4.921 4.350 0.013 0.000 0.281 650 E C -1.558 175.050 176.600 0.013 0.000 0.953 650 E CA -0.684 55.749 56.400 0.056 0.000 0.778 650 E CB 1.821 31.521 29.700 0.000 0.000 1.220 650 E HN 0.252 nan 8.360 nan 0.000 0.431 651 L N -0.393 120.838 121.223 0.013 0.000 2.393 651 L HA 0.729 5.077 4.340 0.013 0.000 0.260 651 L C -1.437 175.422 176.870 -0.019 0.000 1.002 651 L CA -1.051 53.769 54.840 -0.033 0.000 0.818 651 L CB 0.909 42.915 42.059 -0.088 0.000 1.369 651 L HN 0.481 nan 8.230 nan 0.000 0.412 652 L N 1.641 122.850 121.223 -0.024 0.000 2.272 652 L HA 0.601 4.950 4.340 0.013 0.000 0.289 652 L C -0.834 176.046 176.870 0.017 0.000 1.032 652 L CA 0.289 55.172 54.840 0.072 0.000 0.810 652 L CB 0.544 42.690 42.059 0.144 0.000 1.205 652 L HN 0.652 nan 8.230 nan 0.000 0.422 653 H N 4.613 123.758 119.070 0.124 0.000 2.472 653 H HA 0.580 5.144 4.556 0.013 0.000 0.338 653 H C -1.081 174.341 175.328 0.156 0.000 1.133 653 H CA -0.202 55.881 56.048 0.058 0.000 1.216 653 H CB 1.062 30.817 29.762 -0.012 0.000 1.497 653 H HN 0.638 nan 8.280 nan 0.000 0.500 654 W N 4.593 125.989 121.300 0.159 0.000 3.032 654 W HA 0.597 5.265 4.660 0.013 0.000 0.335 654 W C -1.790 174.793 176.519 0.105 0.000 1.154 654 W CA -1.327 56.090 57.345 0.120 0.000 1.204 654 W CB 1.365 30.876 29.460 0.084 0.000 1.416 654 W HN 0.599 nan 8.180 nan 0.000 0.521 655 M N 2.786 122.605 119.600 0.365 0.000 2.421 655 M HA 0.696 5.184 4.480 0.013 0.000 0.287 655 M C -2.462 174.044 176.300 0.343 0.000 1.183 655 M CA -0.815 54.587 55.300 0.171 0.000 0.916 655 M CB 2.037 34.627 32.600 -0.017 0.000 1.701 655 M HN 0.161 nan 8.290 nan 0.000 0.470 656 V N 2.241 122.345 119.914 0.316 0.000 2.604 656 V HA 0.963 5.092 4.120 0.013 0.000 0.305 656 V C -0.397 175.811 176.094 0.191 0.000 1.043 656 V CA -0.377 62.100 62.300 0.295 0.000 0.888 656 V CB 1.663 33.680 31.823 0.322 0.000 0.995 656 V HN 1.064 nan 8.190 nan 0.000 0.429 657 A N 4.195 127.133 122.820 0.198 0.000 2.475 657 A HA 0.870 5.198 4.320 0.013 0.000 0.301 657 A C -1.413 176.285 177.584 0.190 0.000 1.059 657 A CA -0.620 51.502 52.037 0.141 0.000 0.710 657 A CB 1.687 20.732 19.000 0.074 0.000 1.288 657 A HN 0.883 nan 8.150 nan 0.000 0.408 658 L N 1.594 122.897 121.223 0.132 0.000 2.255 658 L HA 0.510 4.858 4.340 0.013 0.000 0.289 658 L C -0.518 176.444 176.870 0.153 0.000 1.046 658 L CA 0.320 55.250 54.840 0.151 0.000 0.816 658 L CB 0.143 42.262 42.059 0.099 0.000 1.197 658 L HN 0.757 nan 8.230 nan 0.000 0.427 659 D N 4.686 125.246 120.400 0.266 0.000 2.686 659 D HA -0.213 4.435 4.640 0.013 0.000 0.235 659 D C 1.166 177.489 176.300 0.039 0.000 1.160 659 D CA 1.523 55.666 54.000 0.238 0.000 0.645 659 D CB -1.127 39.785 40.800 0.185 0.000 1.039 659 D HN 1.174 nan 8.370 nan 0.000 0.423 660 G N -0.884 107.902 108.800 -0.024 0.000 2.199 660 G HA2 -0.371 3.597 3.960 0.013 0.000 0.254 660 G HA3 -0.371 3.597 3.960 0.013 0.000 0.254 660 G C 0.244 175.060 174.900 -0.141 0.000 0.982 660 G CA 0.499 45.475 45.100 -0.208 0.000 0.632 660 G HN 0.489 nan 8.290 nan 0.000 0.529 661 K N 2.122 122.491 120.400 -0.051 0.000 2.253 661 K HA 0.465 4.793 4.320 0.013 0.000 0.277 661 K C -2.516 174.075 176.600 -0.016 0.000 1.053 661 K CA -1.935 54.327 56.287 -0.042 0.000 0.892 661 K CB 1.703 34.196 32.500 -0.013 0.000 1.102 661 K HN 0.061 nan 8.250 nan 0.000 0.469 662 P HA -0.098 nan 4.420 nan 0.000 0.261 662 P C -0.045 177.258 177.300 0.004 0.000 1.183 662 P CA 0.259 63.345 63.100 -0.024 0.000 0.761 662 P CB 0.695 32.361 31.700 -0.056 0.000 0.785 663 L N 1.680 122.925 121.223 0.035 0.000 2.526 663 L HA 0.438 4.786 4.340 0.013 0.000 0.210 663 L C 0.797 177.705 176.870 0.063 0.000 1.048 663 L CA 0.617 55.490 54.840 0.055 0.000 0.852 663 L CB 0.326 42.439 42.059 0.090 0.000 1.128 663 L HN 0.440 nan 8.230 nan 0.000 0.482 664 A N -0.699 122.166 122.820 0.074 0.000 2.597 664 A HA 0.597 4.925 4.320 0.013 0.000 0.292 664 A C -0.997 176.500 177.584 -0.144 0.000 1.057 664 A CA 0.106 52.178 52.037 0.058 0.000 0.674 664 A CB 1.481 20.636 19.000 0.259 0.000 1.278 664 A HN 0.124 nan 8.150 nan 0.000 0.416 665 S N -0.639 114.735 115.700 -0.543 0.000 2.587 665 S HA 0.957 5.435 4.470 0.013 0.000 0.269 665 S C -0.216 173.480 174.600 -1.506 0.000 1.154 665 S CA -0.113 57.373 58.200 -1.190 0.000 0.824 665 S CB 1.106 63.977 63.200 -0.548 0.000 1.118 665 S HN 2.552 nan 8.310 nan 0.000 0.462 666 G N -0.114 107.478 108.800 -2.012 0.000 2.663 666 G HA2 0.723 4.691 3.960 0.013 0.000 0.299 666 G HA3 0.723 4.691 3.960 0.013 0.000 0.299 666 G C -2.245 172.286 174.900 -0.615 0.000 1.372 666 G CA -0.845 43.646 45.100 -1.014 0.000 0.781 666 G HN 1.042 nan 8.290 nan 0.000 0.491 667 E N -1.479 118.619 120.200 -0.169 0.000 2.308 667 E HA 0.671 5.029 4.350 0.013 0.000 0.275 667 E C -1.685 174.919 176.600 0.006 0.000 0.890 667 E CA -0.979 55.330 56.400 -0.152 0.000 0.754 667 E CB 2.961 32.393 29.700 -0.447 0.000 1.207 667 E HN 0.404 nan 8.360 nan 0.000 0.426 668 V N 2.569 122.490 119.914 0.012 0.000 2.733 668 V HA 0.451 4.579 4.120 0.013 0.000 0.306 668 V C -2.406 173.693 176.094 0.007 0.000 1.084 668 V CA -1.957 60.373 62.300 0.050 0.000 0.905 668 V CB 2.399 34.295 31.823 0.122 0.000 1.010 668 V HN 0.697 nan 8.190 nan 0.000 0.424 669 P HA 0.241 nan 4.420 nan 0.000 0.271 669 P C -0.910 176.401 177.300 0.018 0.000 1.218 669 P CA -0.066 63.039 63.100 0.008 0.000 0.780 669 P CB 0.835 32.548 31.700 0.023 0.000 0.901 670 L N 2.751 123.976 121.223 0.003 0.000 2.282 670 L HA 0.325 4.673 4.340 0.013 0.000 0.288 670 L C 0.237 177.121 176.870 0.023 0.000 1.033 670 L CA -0.094 54.739 54.840 -0.013 0.000 0.807 670 L CB 1.159 43.153 42.059 -0.109 0.000 1.209 670 L HN 0.325 nan 8.230 nan 0.000 0.423 671 D N 3.563 123.990 120.400 0.044 0.000 2.443 671 D HA 0.263 4.912 4.640 0.013 0.000 0.281 671 D C -1.353 174.954 176.300 0.011 0.000 1.210 671 D CA -0.050 54.024 54.000 0.124 0.000 0.875 671 D CB 1.294 42.203 40.800 0.181 0.000 1.125 671 D HN 0.109 nan 8.370 nan 0.000 0.503 672 V N 1.806 121.583 119.914 -0.228 0.000 2.540 672 V HA 0.874 5.003 4.120 0.013 0.000 0.302 672 V C -0.212 175.615 176.094 -0.444 0.000 1.035 672 V CA -0.512 61.684 62.300 -0.173 0.000 0.873 672 V CB 1.398 33.233 31.823 0.020 0.000 0.992 672 V HN 0.500 nan 8.190 nan 0.000 0.428 673 A N 8.642 131.362 122.820 -0.168 0.000 2.332 673 A HA 0.738 5.066 4.320 0.013 0.000 0.258 673 A C -2.430 175.159 177.584 0.007 0.000 1.087 673 A CA -1.428 50.603 52.037 -0.011 0.000 0.802 673 A CB -0.006 19.108 19.000 0.189 0.000 1.042 673 A HN 0.784 nan 8.150 nan 0.000 0.489 674 P HA -0.000 nan 4.420 nan 0.000 0.262 674 P C -0.501 176.796 177.300 -0.004 0.000 1.182 674 P CA 0.613 63.727 63.100 0.023 0.000 0.761 674 P CB 0.620 32.319 31.700 -0.003 0.000 0.795 675 Q N -1.056 118.728 119.800 -0.027 0.000 2.348 675 Q HA -0.173 4.175 4.340 0.013 0.000 0.221 675 Q C 0.799 176.792 176.000 -0.011 0.000 0.735 675 Q CA 1.867 57.647 55.803 -0.039 0.000 1.351 675 Q CB -2.574 26.135 28.738 -0.048 0.000 1.640 675 Q HN 0.783 nan 8.270 nan 0.000 0.667 676 G N 0.104 108.910 108.800 0.010 0.000 2.537 676 G HA2 0.546 4.514 3.960 0.013 0.000 0.297 676 G HA3 0.546 4.514 3.960 0.013 0.000 0.297 676 G C -0.157 174.759 174.900 0.027 0.000 1.310 676 G CA -0.526 44.588 45.100 0.023 0.000 1.027 676 G HN 0.019 nan 8.290 nan 0.000 0.505 677 K N -0.941 119.478 120.400 0.032 0.000 2.400 677 K HA 0.546 4.874 4.320 0.013 0.000 0.246 677 K C -0.961 175.664 176.600 0.042 0.000 0.995 677 K CA -0.679 55.630 56.287 0.036 0.000 0.840 677 K CB 2.499 35.016 32.500 0.027 0.000 1.293 677 K HN 0.523 nan 8.250 nan 0.000 0.445 678 Q N 2.002 121.830 119.800 0.046 0.000 2.284 678 Q HA 0.361 4.709 4.340 0.013 0.000 0.269 678 Q C -1.761 174.265 176.000 0.044 0.000 1.026 678 Q CA -0.611 55.220 55.803 0.045 0.000 0.831 678 Q CB 1.504 30.271 28.738 0.049 0.000 1.322 678 Q HN 0.529 nan 8.270 nan 0.000 0.419 679 L N 5.184 126.424 121.223 0.029 0.000 2.282 679 L HA 0.576 4.924 4.340 0.013 0.000 0.288 679 L C -0.512 176.362 176.870 0.006 0.000 1.033 679 L CA -0.707 54.141 54.840 0.013 0.000 0.807 679 L CB 1.230 43.289 42.059 -0.000 0.000 1.209 679 L HN 0.604 nan 8.230 nan 0.000 0.423 680 I N 3.504 124.069 120.570 -0.009 0.000 2.439 680 I HA 0.221 4.399 4.170 0.013 0.000 0.285 680 I C -0.423 175.642 176.117 -0.088 0.000 1.021 680 I CA -0.692 60.591 61.300 -0.028 0.000 1.091 680 I CB 1.976 39.972 38.000 -0.006 0.000 1.242 680 I HN 0.518 nan 8.210 nan 0.000 0.439 681 E N 7.640 127.787 120.200 -0.089 0.000 2.115 681 E HA 0.395 4.753 4.350 0.013 0.000 0.282 681 E C -0.494 175.995 176.600 -0.185 0.000 0.987 681 E CA -0.567 55.757 56.400 -0.126 0.000 0.797 681 E CB 1.812 31.459 29.700 -0.088 0.000 1.086 681 E HN 0.514 nan 8.360 nan 0.000 0.397 682 L N 4.744 125.792 121.223 -0.292 0.000 2.439 682 L HA 0.178 4.526 4.340 0.013 0.000 0.269 682 L C -1.691 175.003 176.870 -0.293 0.000 1.179 682 L CA -1.656 52.906 54.840 -0.462 0.000 0.828 682 L CB 0.092 41.699 42.059 -0.753 0.000 1.106 682 L HN 0.218 nan 8.230 nan 0.000 0.467 683 P HA -0.071 nan 4.420 nan 0.000 0.271 683 P C -0.694 176.550 177.300 -0.094 0.000 1.238 683 P CA -0.245 62.803 63.100 -0.087 0.000 0.794 683 P CB 0.431 32.157 31.700 0.044 0.000 0.959 684 E N 0.823 121.002 120.200 -0.036 0.000 2.290 684 E HA 0.164 4.523 4.350 0.013 0.000 0.277 684 E C -0.980 175.621 176.600 0.003 0.000 1.035 684 E CA -0.323 56.059 56.400 -0.030 0.000 0.873 684 E CB 0.030 29.721 29.700 -0.014 0.000 1.029 684 E HN 0.233 nan 8.360 nan 0.000 0.419 685 L N 6.396 127.616 121.223 -0.004 0.000 2.307 685 L HA 0.431 4.779 4.340 0.013 0.000 0.284 685 L C -2.040 174.851 176.870 0.035 0.000 1.023 685 L CA -2.045 52.820 54.840 0.042 0.000 0.810 685 L CB 1.012 43.108 42.059 0.063 0.000 1.231 685 L HN 0.479 nan 8.230 nan 0.000 0.423 686 P HA 0.056 nan 4.420 nan 0.000 0.269 686 P C -1.185 176.135 177.300 0.033 0.000 1.211 686 P CA -0.276 62.845 63.100 0.036 0.000 0.781 686 P CB 0.333 32.056 31.700 0.037 0.000 0.877 687 Q N 1.823 121.637 119.800 0.024 0.000 2.245 687 Q HA 0.544 4.892 4.340 0.013 0.000 0.256 687 Q C -2.340 173.674 176.000 0.023 0.000 0.942 687 Q CA -1.722 54.093 55.803 0.020 0.000 0.896 687 Q CB 1.041 29.785 28.738 0.011 0.000 1.272 687 Q HN 0.327 nan 8.270 nan 0.000 0.442 688 P HA 0.308 nan 4.420 nan 0.000 0.253 688 P C -0.859 176.455 177.300 0.023 0.000 1.599 688 P CA -0.578 62.538 63.100 0.027 0.000 1.189 688 P CB 1.035 32.756 31.700 0.035 0.000 1.347 689 E N -0.178 120.034 120.200 0.019 0.000 2.515 689 E HA -0.031 4.327 4.350 0.013 0.000 0.201 689 E C 0.822 177.435 176.600 0.021 0.000 1.071 689 E CA 0.196 56.606 56.400 0.017 0.000 0.880 689 E CB -0.090 29.618 29.700 0.013 0.000 0.828 689 E HN 0.297 nan 8.360 nan 0.000 0.540 690 S N 1.013 116.728 115.700 0.025 0.000 2.516 690 S HA 0.333 4.811 4.470 0.013 0.000 0.282 690 S C 0.414 175.035 174.600 0.035 0.000 1.286 690 S CA -0.446 57.772 58.200 0.030 0.000 1.066 690 S CB 0.271 63.489 63.200 0.031 0.000 0.884 690 S HN 0.325 nan 8.310 nan 0.000 0.491 691 A N 4.141 126.984 122.820 0.037 0.000 2.547 691 A HA 0.590 4.918 4.320 0.013 0.000 0.233 691 A C 1.051 178.667 177.584 0.054 0.000 1.067 691 A CA 0.455 52.517 52.037 0.042 0.000 0.763 691 A CB -0.767 18.259 19.000 0.044 0.000 1.007 691 A HN 2.033 nan 8.150 nan 0.000 0.506 692 G N -0.348 108.485 108.800 0.056 0.000 2.361 692 G HA2 0.455 4.423 3.960 0.013 0.000 0.331 692 G HA3 0.455 4.423 3.960 0.013 0.000 0.331 692 G C -1.107 173.831 174.900 0.063 0.000 1.324 692 G CA -0.137 45.011 45.100 0.081 0.000 0.984 692 G HN 1.239 nan 8.290 nan 0.000 0.586 693 Q N -0.271 119.587 119.800 0.096 0.000 2.307 693 Q HA 0.737 5.085 4.340 0.013 0.000 0.262 693 Q C -0.375 175.674 176.000 0.082 0.000 0.961 693 Q CA -0.602 55.209 55.803 0.014 0.000 0.882 693 Q CB 1.336 30.044 28.738 -0.050 0.000 1.264 693 Q HN 0.596 nan 8.270 nan 0.000 0.446 694 L N 4.215 125.432 121.223 -0.009 0.000 2.326 694 L HA 0.470 4.818 4.340 0.013 0.000 0.278 694 L C -0.819 176.057 176.870 0.009 0.000 1.092 694 L CA -0.356 54.529 54.840 0.074 0.000 0.810 694 L CB 0.703 42.783 42.059 0.035 0.000 1.153 694 L HN 0.696 nan 8.230 nan 0.000 0.439 695 W N 4.114 125.464 121.300 0.084 0.000 2.819 695 W HA 0.511 5.179 4.660 0.013 0.000 0.337 695 W C -0.861 175.753 176.519 0.159 0.000 1.077 695 W CA -0.511 56.901 57.345 0.112 0.000 1.226 695 W CB 1.756 31.295 29.460 0.132 0.000 1.419 695 W HN 0.111 nan 8.180 nan 0.000 0.502 696 L N 3.161 124.649 121.223 0.442 0.000 2.307 696 L HA 0.784 5.132 4.340 0.013 0.000 0.284 696 L C -0.385 176.774 176.870 0.482 0.000 1.023 696 L CA 0.124 55.216 54.840 0.419 0.000 0.810 696 L CB 1.441 43.723 42.059 0.372 0.000 1.231 696 L HN 0.319 nan 8.230 nan 0.000 0.423 697 T N 4.919 119.706 114.554 0.388 0.000 2.841 697 T HA 0.681 5.040 4.350 0.013 0.000 0.283 697 T C -0.795 174.088 174.700 0.305 0.000 1.000 697 T CA -0.436 61.850 62.100 0.309 0.000 0.977 697 T CB 1.607 70.595 68.868 0.200 0.000 0.979 697 T HN 0.623 nan 8.240 nan 0.000 0.446 698 V N 1.418 121.484 119.914 0.252 0.000 2.769 698 V HA 0.876 5.004 4.120 0.013 0.000 0.312 698 V C -1.001 175.188 176.094 0.157 0.000 1.061 698 V CA -1.250 61.173 62.300 0.205 0.000 0.931 698 V CB 1.898 33.808 31.823 0.146 0.000 1.010 698 V HN 0.915 nan 8.190 nan 0.000 0.433 699 R N 2.607 123.233 120.500 0.209 0.000 2.604 699 R HA 0.775 5.123 4.340 0.013 0.000 0.281 699 R C -1.753 174.717 176.300 0.284 0.000 1.020 699 R CA -0.836 55.420 56.100 0.260 0.000 0.899 699 R CB 2.366 32.782 30.300 0.192 0.000 1.205 699 R HN 0.568 nan 8.270 nan 0.000 0.450 700 V N 3.059 123.163 119.914 0.317 0.000 2.407 700 V HA 0.331 4.459 4.120 0.013 0.000 0.278 700 V C -0.069 176.170 176.094 0.241 0.000 1.037 700 V CA -0.601 61.847 62.300 0.246 0.000 0.900 700 V CB 1.591 33.534 31.823 0.200 0.000 0.983 700 V HN 0.486 nan 8.190 nan 0.000 0.459 701 V N 5.119 125.170 119.914 0.228 0.000 2.628 701 V HA 0.440 4.568 4.120 0.013 0.000 0.306 701 V C -0.321 175.879 176.094 0.177 0.000 1.045 701 V CA -0.801 61.625 62.300 0.210 0.000 0.905 701 V CB 1.956 33.964 31.823 0.309 0.000 0.997 701 V HN 0.889 nan 8.190 nan 0.000 0.436 702 Q N 5.135 125.037 119.800 0.171 0.000 2.398 702 Q HA 0.296 4.644 4.340 0.013 0.000 0.251 702 Q C -1.844 174.215 176.000 0.098 0.000 0.999 702 Q CA -1.817 54.072 55.803 0.144 0.000 0.874 702 Q CB 2.079 30.917 28.738 0.167 0.000 1.215 702 Q HN 0.473 nan 8.270 nan 0.000 0.470 703 P HA -0.153 nan 4.420 nan 0.000 0.219 703 P C -0.506 176.811 177.300 0.029 0.000 1.150 703 P CA 1.064 64.201 63.100 0.061 0.000 0.814 703 P CB 0.366 32.099 31.700 0.054 0.000 0.787 704 N N -0.439 118.267 118.700 0.011 0.000 2.443 704 N HA 0.444 5.192 4.740 0.013 0.000 0.295 704 N C -0.239 175.234 175.510 -0.062 0.000 1.076 704 N CA -0.665 52.374 53.050 -0.019 0.000 0.919 704 N CB 1.014 39.490 38.487 -0.019 0.000 1.176 704 N HN -0.033 nan 8.380 nan 0.000 0.487 705 A N 0.762 123.537 122.820 -0.076 0.000 2.346 705 A HA 0.491 4.819 4.320 0.013 0.000 0.252 705 A C 0.577 178.047 177.584 -0.189 0.000 1.089 705 A CA -0.081 51.875 52.037 -0.135 0.000 0.797 705 A CB 0.045 18.989 19.000 -0.094 0.000 1.047 705 A HN 0.711 nan 8.150 nan 0.000 0.494 706 T N -3.264 111.094 114.554 -0.328 0.000 2.773 706 T HA 0.626 4.984 4.350 0.013 0.000 0.278 706 T C 0.927 175.462 174.700 -0.275 0.000 1.011 706 T CA 0.042 61.917 62.100 -0.374 0.000 1.014 706 T CB 1.130 69.512 68.868 -0.810 0.000 1.293 706 T HN 1.353 nan 8.240 nan 0.000 0.554 707 A N -0.129 122.611 122.820 -0.134 0.000 2.121 707 A HA 0.121 4.449 4.320 0.013 0.000 0.218 707 A C 1.623 179.327 177.584 0.199 0.000 1.154 707 A CA 0.990 53.062 52.037 0.059 0.000 0.679 707 A CB -0.862 18.224 19.000 0.144 0.000 0.795 707 A HN 0.913 nan 8.150 nan 0.000 0.458 708 W N -0.814 120.551 121.300 0.107 0.000 2.714 708 W HA 0.405 5.074 4.660 0.015 0.000 0.353 708 W C -0.174 176.318 176.519 -0.045 0.000 0.999 708 W CA 0.486 57.866 57.345 0.058 0.000 1.629 708 W CB -0.982 28.502 29.460 0.040 0.000 1.106 708 W HN 0.378 nan 8.180 nan 0.000 0.545 709 S N 0.075 115.380 115.700 -0.659 0.000 2.607 709 S HA 0.506 4.984 4.470 0.013 0.000 0.273 709 S C -0.905 173.496 174.600 -0.333 0.000 1.148 709 S CA -0.772 57.087 58.200 -0.567 0.000 0.833 709 S CB 2.781 65.302 63.200 -1.132 0.000 1.130 709 S HN 0.101 nan 8.310 nan 0.000 0.470 710 E N 0.343 120.451 120.200 -0.154 0.000 2.280 710 E HA 0.626 4.984 4.350 0.013 0.000 0.261 710 E C 0.068 176.648 176.600 -0.034 0.000 1.088 710 E CA -1.045 55.314 56.400 -0.069 0.000 0.915 710 E CB 1.129 30.830 29.700 0.002 0.000 1.141 710 E HN 0.870 nan 8.360 nan 0.000 0.433 711 A N 0.420 123.228 122.820 -0.021 0.000 2.540 711 A HA 0.376 4.704 4.320 0.013 0.000 0.239 711 A C 1.146 178.752 177.584 0.037 0.000 1.061 711 A CA 0.805 52.844 52.037 0.002 0.000 0.758 711 A CB -0.621 18.379 19.000 0.001 0.000 0.991 711 A HN 0.812 nan 8.150 nan 0.000 0.502 712 G N 0.673 109.508 108.800 0.059 0.000 2.199 712 G HA2 -0.269 3.699 3.960 0.013 0.000 0.254 712 G HA3 -0.269 3.699 3.960 0.013 0.000 0.254 712 G C 0.312 175.261 174.900 0.081 0.000 0.982 712 G CA 0.780 45.917 45.100 0.061 0.000 0.632 712 G HN 1.898 nan 8.290 nan 0.000 0.529 713 H N 0.763 119.853 119.070 0.033 0.000 3.115 713 H HA 0.336 4.900 4.556 0.013 0.000 0.324 713 H C 0.658 176.070 175.328 0.141 0.000 1.007 713 H CA 0.746 56.837 56.048 0.072 0.000 1.385 713 H CB 0.113 29.896 29.762 0.036 0.000 1.351 713 H HN 0.348 nan 8.280 nan 0.000 0.592 714 I N 4.551 124.830 120.570 -0.485 0.000 2.336 714 I HA 0.064 4.242 4.170 0.013 0.000 0.292 714 I C 0.833 176.776 176.117 -0.291 0.000 0.991 714 I CA -0.021 61.153 61.300 -0.210 0.000 1.227 714 I CB 1.663 39.627 38.000 -0.060 0.000 1.366 714 I HN 0.799 nan 8.210 nan 0.000 0.466 715 S N 4.021 119.782 115.700 0.101 0.000 2.512 715 S HA 0.591 5.069 4.470 0.013 0.000 0.216 715 S C 0.379 175.241 174.600 0.437 0.000 1.006 715 S CA -0.089 58.327 58.200 0.359 0.000 0.915 715 S CB 0.599 64.133 63.200 0.556 0.000 0.824 715 S HN 0.717 nan 8.310 nan 0.000 0.497 716 A N 0.564 123.677 122.820 0.488 0.000 2.599 716 A HA 0.646 4.974 4.320 0.013 0.000 0.294 716 A C -1.759 176.189 177.584 0.606 0.000 1.055 716 A CA -0.891 51.415 52.037 0.448 0.000 0.683 716 A CB 0.355 19.678 19.000 0.539 0.000 1.278 716 A HN 0.914 nan 8.150 nan 0.000 0.412 717 W N 0.120 121.605 121.300 0.307 0.000 3.025 717 W HA 0.824 5.492 4.660 0.015 0.000 0.343 717 W C -1.159 175.404 176.519 0.073 0.000 1.246 717 W CA -0.650 56.767 57.345 0.120 0.000 1.178 717 W CB 1.227 30.723 29.460 0.060 0.000 1.463 717 W HN 1.071 nan 8.180 nan 0.000 0.578 718 Q N 1.039 120.899 119.800 0.101 0.000 2.545 718 Q HA 0.391 4.739 4.340 0.013 0.000 0.273 718 Q C -1.666 174.164 176.000 -0.282 0.000 0.975 718 Q CA -0.417 55.277 55.803 -0.181 0.000 0.876 718 Q CB 2.241 30.665 28.738 -0.523 0.000 1.472 718 Q HN 0.637 nan 8.270 nan 0.000 0.389 719 Q N 1.500 121.091 119.800 -0.347 0.000 2.399 719 Q HA 0.671 5.019 4.340 0.013 0.000 0.276 719 Q C -1.067 174.732 176.000 -0.335 0.000 1.098 719 Q CA -0.724 55.021 55.803 -0.096 0.000 0.827 719 Q CB 2.337 31.230 28.738 0.257 0.000 1.386 719 Q HN 0.592 nan 8.270 nan 0.000 0.443 720 W N 0.702 122.144 121.300 0.236 0.000 3.107 720 W HA 0.429 5.097 4.660 0.013 0.000 0.331 720 W C -0.487 175.972 176.519 -0.099 0.000 1.204 720 W CA -0.644 56.749 57.345 0.080 0.000 1.184 720 W CB 1.749 31.223 29.460 0.023 0.000 1.421 720 W HN 0.440 nan 8.180 nan 0.000 0.544 721 R N 1.785 122.182 120.500 -0.172 0.000 2.390 721 R HA 0.470 4.818 4.340 0.013 0.000 0.291 721 R C 0.522 176.688 176.300 -0.223 0.000 1.070 721 R CA -0.215 55.535 56.100 -0.583 0.000 1.014 721 R CB 1.213 31.056 30.300 -0.761 0.000 1.007 721 R HN 0.285 nan 8.270 nan 0.000 0.466 722 L N 1.284 122.382 121.223 -0.208 0.000 2.719 722 L HA 0.528 4.876 4.340 0.013 0.000 0.182 722 L C 0.667 177.458 176.870 -0.130 0.000 1.940 722 L CA -0.966 53.806 54.840 -0.113 0.000 2.839 722 L CB -0.212 41.815 42.059 -0.053 0.000 2.949 722 L HN 0.575 nan 8.230 nan 0.000 0.669 723 A N 0.236 123.005 122.820 -0.085 0.000 2.386 723 A HA 0.261 4.589 4.320 0.013 0.000 0.248 723 A C -0.361 177.175 177.584 -0.080 0.000 1.082 723 A CA 0.112 52.105 52.037 -0.073 0.000 0.789 723 A CB 0.280 19.254 19.000 -0.043 0.000 1.025 723 A HN 0.598 nan 8.150 nan 0.000 0.490 724 E N 0.865 121.022 120.200 -0.071 0.000 2.238 724 E HA 0.336 4.694 4.350 0.013 0.000 0.267 724 E C -1.369 175.217 176.600 -0.025 0.000 0.887 724 E CA -0.682 55.684 56.400 -0.057 0.000 0.769 724 E CB 0.939 30.597 29.700 -0.071 0.000 1.187 724 E HN 0.690 nan 8.360 nan 0.000 0.416 725 N N 4.885 123.582 118.700 -0.004 0.000 2.569 725 N HA 0.249 4.997 4.740 0.013 0.000 0.254 725 N C -0.639 174.881 175.510 0.017 0.000 1.004 725 N CA -0.330 52.724 53.050 0.007 0.000 0.904 725 N CB 1.106 39.601 38.487 0.012 0.000 1.165 725 N HN 0.461 nan 8.380 nan 0.000 0.513 726 L N 0.787 122.018 121.223 0.015 0.000 2.485 726 L HA 0.048 4.397 4.340 0.013 0.000 0.275 726 L C 1.360 178.247 176.870 0.029 0.000 1.207 726 L CA 0.297 55.151 54.840 0.024 0.000 0.855 726 L CB 0.284 42.355 42.059 0.021 0.000 1.114 726 L HN 0.341 nan 8.230 nan 0.000 0.485 727 S N 1.618 117.340 115.700 0.038 0.000 2.474 727 S HA 0.277 4.755 4.470 0.013 0.000 0.276 727 S C 0.594 175.214 174.600 0.034 0.000 1.227 727 S CA -0.758 57.465 58.200 0.038 0.000 1.050 727 S CB 0.922 64.150 63.200 0.047 0.000 0.939 727 S HN 0.476 nan 8.310 nan 0.000 0.490 728 V N 2.315 122.246 119.914 0.028 0.000 3.477 728 V HA 0.323 4.451 4.120 0.013 0.000 0.297 728 V C 0.614 176.722 176.094 0.024 0.000 1.433 728 V CA 0.175 62.490 62.300 0.025 0.000 1.052 728 V CB -0.693 31.142 31.823 0.019 0.000 0.895 728 V HN 0.838 nan 8.190 nan 0.000 0.438 729 T N 1.394 115.964 114.554 0.026 0.000 2.851 729 T HA 0.654 5.012 4.350 0.013 0.000 0.298 729 T C -0.337 174.380 174.700 0.027 0.000 0.977 729 T CA -0.308 61.807 62.100 0.025 0.000 1.126 729 T CB 1.367 70.251 68.868 0.026 0.000 0.916 729 T HN 0.200 nan 8.240 nan 0.000 0.529 730 L N 5.081 126.317 121.223 0.022 0.000 2.331 730 L HA 0.377 4.725 4.340 0.013 0.000 0.278 730 L C -1.272 175.611 176.870 0.022 0.000 1.106 730 L CA -1.482 53.371 54.840 0.021 0.000 0.824 730 L CB -0.431 41.636 42.059 0.013 0.000 1.142 730 L HN 0.605 nan 8.230 nan 0.000 0.443 731 P HA 0.167 nan 4.420 nan 0.000 0.269 731 P C -0.635 176.676 177.300 0.019 0.000 1.209 731 P CA -0.591 62.529 63.100 0.034 0.000 0.776 731 P CB 0.597 32.324 31.700 0.045 0.000 0.876 732 A N 2.494 125.330 122.820 0.027 0.000 2.591 732 A HA 0.322 4.650 4.320 0.013 0.000 0.244 732 A C 0.979 178.522 177.584 -0.068 0.000 1.031 732 A CA 0.272 52.313 52.037 0.006 0.000 0.767 732 A CB -0.815 18.219 19.000 0.056 0.000 0.942 732 A HN 0.802 nan 8.150 nan 0.000 0.514 733 A N 3.537 126.277 122.820 -0.133 0.000 2.555 733 A HA 0.391 4.720 4.320 0.013 0.000 0.233 733 A C 0.972 178.241 177.584 -0.525 0.000 1.060 733 A CA 0.339 52.246 52.037 -0.217 0.000 0.759 733 A CB -0.164 18.748 19.000 -0.146 0.000 0.995 733 A HN 1.248 nan 8.150 nan 0.000 0.506 734 S N 1.898 117.396 115.700 -0.337 0.000 2.519 734 S HA 0.124 4.602 4.470 0.013 0.000 0.310 734 S C 0.751 175.207 174.600 -0.241 0.000 1.201 734 S CA 0.081 58.130 58.200 -0.253 0.000 1.179 734 S CB -0.334 62.839 63.200 -0.045 0.000 1.104 734 S HN 0.795 nan 8.310 nan 0.000 0.527 735 H N 2.189 121.273 119.070 0.023 0.000 2.326 735 H HA 0.264 4.828 4.556 0.013 0.000 0.301 735 H C 1.191 176.532 175.328 0.021 0.000 1.081 735 H CA 0.995 57.055 56.048 0.020 0.000 1.334 735 H CB -0.389 29.384 29.762 0.018 0.000 1.385 735 H HN 0.626 nan 8.280 nan 0.000 0.504 736 A N 0.789 123.748 122.820 0.232 0.000 2.298 736 A HA 0.652 4.980 4.320 0.013 0.000 0.302 736 A C -0.537 177.109 177.584 0.104 0.000 1.177 736 A CA -0.530 51.585 52.037 0.130 0.000 0.912 736 A CB 0.594 19.658 19.000 0.107 0.000 1.331 736 A HN 0.372 nan 8.150 nan 0.000 0.504 737 I N 0.208 120.830 120.570 0.086 0.000 2.622 737 I HA 0.370 4.548 4.170 0.013 0.000 0.283 737 I C -2.688 173.507 176.117 0.130 0.000 1.202 737 I CA -1.977 59.382 61.300 0.099 0.000 1.075 737 I CB 2.152 40.212 38.000 0.100 0.000 1.274 737 I HN 0.430 nan 8.210 nan 0.000 0.450 738 P HA 0.088 nan 4.420 nan 0.000 0.266 738 P C -1.138 176.316 177.300 0.257 0.000 1.193 738 P CA 0.488 63.667 63.100 0.132 0.000 0.770 738 P CB 0.305 32.054 31.700 0.083 0.000 0.836 739 H N 0.347 119.457 119.070 0.067 0.000 2.492 739 H HA 0.459 5.023 4.556 0.013 0.000 0.345 739 H C -0.405 174.956 175.328 0.055 0.000 1.136 739 H CA -1.113 54.962 56.048 0.046 0.000 1.202 739 H CB 1.799 31.586 29.762 0.041 0.000 1.524 739 H HN 0.267 nan 8.280 nan 0.000 0.506 740 L N 2.110 123.415 121.223 0.136 0.000 2.309 740 L HA 0.365 4.713 4.340 0.013 0.000 0.282 740 L C -0.557 176.370 176.870 0.095 0.000 1.036 740 L CA 0.001 54.894 54.840 0.089 0.000 0.806 740 L CB 1.676 43.732 42.059 -0.006 0.000 1.220 740 L HN 0.549 nan 8.230 nan 0.000 0.429 741 T N 3.306 117.943 114.554 0.138 0.000 2.848 741 T HA 0.602 4.960 4.350 0.013 0.000 0.285 741 T C -0.605 174.210 174.700 0.191 0.000 0.995 741 T CA -0.386 61.793 62.100 0.131 0.000 0.970 741 T CB 1.386 70.321 68.868 0.112 0.000 0.976 741 T HN 0.700 nan 8.240 nan 0.000 0.441 742 T N 2.495 117.153 114.554 0.173 0.000 2.887 742 T HA 0.791 5.150 4.350 0.013 0.000 0.288 742 T C -0.318 174.445 174.700 0.105 0.000 1.021 742 T CA -0.768 61.466 62.100 0.224 0.000 1.000 742 T CB 1.548 70.565 68.868 0.247 0.000 1.034 742 T HN 0.717 nan 8.240 nan 0.000 0.467 743 S N 0.491 116.217 115.700 0.043 0.000 2.651 743 S HA 0.456 4.934 4.470 0.013 0.000 0.279 743 S C 0.800 175.357 174.600 -0.072 0.000 1.148 743 S CA -0.849 57.348 58.200 -0.005 0.000 0.837 743 S CB 1.835 65.036 63.200 0.001 0.000 1.138 743 S HN 0.746 nan 8.310 nan 0.000 0.478 744 E N -0.368 119.797 120.200 -0.059 0.000 2.110 744 E HA -0.178 4.180 4.350 0.013 0.000 0.193 744 E C 1.545 178.063 176.600 -0.136 0.000 0.988 744 E CA 1.344 57.691 56.400 -0.088 0.000 0.804 744 E CB -0.138 29.532 29.700 -0.051 0.000 0.745 744 E HN 0.629 nan 8.360 nan 0.000 0.458 745 M N 0.503 120.043 119.600 -0.099 0.000 2.388 745 M HA 0.065 4.553 4.480 0.013 0.000 0.265 745 M C -0.494 175.742 176.300 -0.107 0.000 1.088 745 M CA 0.962 56.211 55.300 -0.086 0.000 1.134 745 M CB 0.682 33.262 32.600 -0.033 0.000 1.384 745 M HN -0.149 nan 8.290 nan 0.000 0.447 746 D N -1.511 118.814 120.400 -0.125 0.000 2.661 746 D HA 0.261 4.909 4.640 0.013 0.000 0.228 746 D C -1.473 174.776 176.300 -0.086 0.000 1.183 746 D CA -0.322 53.631 54.000 -0.079 0.000 0.844 746 D CB 1.430 42.269 40.800 0.065 0.000 1.555 746 D HN 0.004 nan 8.370 nan 0.000 0.453 747 F N 1.102 121.136 119.950 0.139 0.000 2.375 747 F HA 0.338 4.873 4.527 0.013 0.000 0.361 747 F C 0.182 176.116 175.800 0.224 0.000 1.117 747 F CA -0.736 57.346 58.000 0.137 0.000 1.037 747 F CB 1.193 40.242 39.000 0.083 0.000 1.192 747 F HN 0.048 nan 8.300 nan 0.000 0.452 748 C N 4.644 124.167 119.300 0.372 0.000 2.411 748 C HA 0.729 5.197 4.460 0.013 0.000 0.330 748 C C -0.199 174.968 174.990 0.294 0.000 1.224 748 C CA -0.738 58.472 59.018 0.321 0.000 1.770 748 C CB 1.000 28.864 27.740 0.207 0.000 2.297 748 C HN 0.552 nan 8.230 nan 0.000 0.507 749 I N 2.268 123.054 120.570 0.360 0.000 2.498 749 I HA 0.468 4.646 4.170 0.013 0.000 0.290 749 I C -0.136 176.225 176.117 0.407 0.000 1.032 749 I CA -0.022 61.480 61.300 0.337 0.000 1.073 749 I CB 1.474 39.675 38.000 0.334 0.000 1.251 749 I HN 0.625 nan 8.210 nan 0.000 0.426 750 E N 5.515 125.888 120.200 0.288 0.000 2.266 750 E HA 0.748 5.106 4.350 0.013 0.000 0.268 750 E C -1.828 174.889 176.600 0.194 0.000 0.879 750 E CA -0.877 55.650 56.400 0.212 0.000 0.762 750 E CB 2.418 32.159 29.700 0.068 0.000 1.199 750 E HN 0.518 nan 8.360 nan 0.000 0.422 751 L N 4.531 125.876 121.223 0.202 0.000 2.596 751 L HA 0.489 4.837 4.340 0.013 0.000 0.265 751 L C 0.096 177.007 176.870 0.068 0.000 0.962 751 L CA 0.596 55.534 54.840 0.164 0.000 0.891 751 L CB 1.255 43.484 42.059 0.283 0.000 1.248 751 L HN 0.795 nan 8.230 nan 0.000 0.410 752 G N 4.343 113.138 108.800 -0.007 0.000 2.611 752 G HA2 -0.426 3.542 3.960 0.013 0.000 0.301 752 G HA3 -0.426 3.542 3.960 0.013 0.000 0.301 752 G C 0.470 175.338 174.900 -0.053 0.000 1.233 752 G CA 0.602 45.683 45.100 -0.033 0.000 0.993 752 G HN 1.335 nan 8.290 nan 0.000 0.553 753 N N 1.617 120.279 118.700 -0.063 0.000 2.362 753 N HA 0.132 4.880 4.740 0.013 0.000 0.211 753 N C 0.157 175.595 175.510 -0.122 0.000 1.170 753 N CA 0.665 53.664 53.050 -0.086 0.000 0.828 753 N CB 0.058 38.499 38.487 -0.077 0.000 1.034 753 N HN 0.760 nan 8.380 nan 0.000 0.475 754 K N 0.559 120.873 120.400 -0.144 0.000 2.259 754 K HA 0.523 4.851 4.320 0.013 0.000 0.252 754 K C -0.327 176.084 176.600 -0.315 0.000 0.936 754 K CA -0.725 55.367 56.287 -0.325 0.000 0.810 754 K CB 2.109 34.296 32.500 -0.521 0.000 1.143 754 K HN 0.115 nan 8.250 nan 0.000 0.427 755 R N 1.720 121.986 120.500 -0.390 0.000 2.725 755 R HA 0.476 4.824 4.340 0.013 0.000 0.277 755 R C -1.112 175.143 176.300 -0.075 0.000 0.987 755 R CA -1.016 55.037 56.100 -0.078 0.000 0.901 755 R CB 1.891 32.162 30.300 -0.048 0.000 1.207 755 R HN 0.543 nan 8.270 nan 0.000 0.463 756 W N 1.646 123.063 121.300 0.193 0.000 2.998 756 W HA 0.312 4.980 4.660 0.013 0.000 0.335 756 W C -0.615 175.972 176.519 0.113 0.000 1.110 756 W CA -0.508 56.873 57.345 0.058 0.000 1.230 756 W CB 2.610 32.079 29.460 0.015 0.000 1.405 756 W HN 0.488 nan 8.180 nan 0.000 0.493 757 Q N 2.678 122.579 119.800 0.167 0.000 2.337 757 Q HA 0.495 4.843 4.340 0.013 0.000 0.270 757 Q C -2.019 173.924 176.000 -0.095 0.000 1.043 757 Q CA -0.470 55.439 55.803 0.178 0.000 0.794 757 Q CB 1.738 30.671 28.738 0.325 0.000 1.281 757 Q HN 0.375 nan 8.270 nan 0.000 0.446 758 F N 2.802 122.837 119.950 0.141 0.000 2.427 758 F HA 0.302 4.837 4.527 0.013 0.000 0.348 758 F C 0.496 176.323 175.800 0.046 0.000 1.125 758 F CA -0.885 57.160 58.000 0.076 0.000 0.989 758 F CB 1.437 40.483 39.000 0.077 0.000 1.165 758 F HN 0.505 nan 8.300 nan 0.000 0.442 759 N N 3.798 122.602 118.700 0.173 0.000 2.438 759 N HA 0.041 4.789 4.740 0.013 0.000 0.267 759 N C 0.946 176.465 175.510 0.014 0.000 1.222 759 N CA 0.170 53.270 53.050 0.082 0.000 0.930 759 N CB 0.638 39.181 38.487 0.094 0.000 1.083 759 N HN 0.700 nan 8.380 nan 0.000 0.476 760 R N 2.400 122.839 120.500 -0.102 0.000 2.280 760 R HA -0.104 4.244 4.340 0.013 0.000 0.207 760 R C 1.678 177.905 176.300 -0.122 0.000 1.043 760 R CA 0.785 56.770 56.100 -0.192 0.000 1.006 760 R CB 0.168 30.241 30.300 -0.380 0.000 0.885 760 R HN 0.680 nan 8.270 nan 0.000 0.467 761 Q N 0.293 120.053 119.800 -0.066 0.000 2.165 761 Q HA -0.069 4.279 4.340 0.013 0.000 0.197 761 Q C 1.872 177.854 176.000 -0.030 0.000 0.952 761 Q CA 1.557 57.333 55.803 -0.044 0.000 0.848 761 Q CB 0.290 29.019 28.738 -0.014 0.000 0.931 761 Q HN 0.282 nan 8.270 nan 0.000 0.470 762 S N -1.840 113.865 115.700 0.009 0.000 2.470 762 S HA 0.221 4.699 4.470 0.013 0.000 0.222 762 S C 1.428 175.942 174.600 -0.142 0.000 1.024 762 S CA 0.580 58.801 58.200 0.036 0.000 0.931 762 S CB 0.522 63.847 63.200 0.208 0.000 0.791 762 S HN 0.660 nan 8.310 nan 0.000 0.513 763 G N 0.359 109.087 108.800 -0.120 0.000 2.143 763 G HA2 -0.210 3.758 3.960 0.013 0.000 0.249 763 G HA3 -0.210 3.758 3.960 0.013 0.000 0.249 763 G C -0.098 174.704 174.900 -0.163 0.000 0.981 763 G CA 0.274 45.272 45.100 -0.169 0.000 0.665 763 G HN 0.539 nan 8.290 nan 0.000 0.528 764 F N -1.176 118.953 119.950 0.298 0.000 2.575 764 F HA 0.686 5.221 4.527 0.013 0.000 0.330 764 F C 0.482 176.337 175.800 0.092 0.000 1.056 764 F CA -1.484 56.661 58.000 0.242 0.000 0.964 764 F CB 1.394 40.490 39.000 0.160 0.000 1.258 764 F HN 0.001 nan 8.300 nan 0.000 0.484 765 L N 1.966 123.262 121.223 0.123 0.000 2.485 765 L HA 0.159 4.507 4.340 0.013 0.000 0.279 765 L C 1.029 177.801 176.870 -0.162 0.000 1.124 765 L CA 0.451 55.015 54.840 -0.460 0.000 0.888 765 L CB 0.271 42.029 42.059 -0.502 0.000 1.217 765 L HN 0.715 nan 8.230 nan 0.000 0.464 766 S N 2.734 118.337 115.700 -0.161 0.000 2.492 766 S HA 0.227 4.705 4.470 0.013 0.000 0.218 766 S C 0.621 175.102 174.600 -0.198 0.000 1.016 766 S CA -0.004 58.143 58.200 -0.088 0.000 0.916 766 S CB 0.110 63.310 63.200 0.000 0.000 0.791 766 S HN 0.681 nan 8.310 nan 0.000 0.513 767 Q N -0.277 119.344 119.800 -0.298 0.000 2.522 767 Q HA 0.689 5.037 4.340 0.013 0.000 0.285 767 Q C -1.941 173.703 176.000 -0.594 0.000 0.982 767 Q CA -0.319 55.169 55.803 -0.524 0.000 0.805 767 Q CB 1.808 30.115 28.738 -0.718 0.000 1.457 767 Q HN 0.456 nan 8.270 nan 0.000 0.394 768 M N 1.387 120.509 119.600 -0.796 0.000 2.470 768 M HA 0.590 5.078 4.480 0.013 0.000 0.285 768 M C -1.571 174.338 176.300 -0.651 0.000 1.213 768 M CA -0.402 54.533 55.300 -0.608 0.000 0.901 768 M CB 2.278 34.525 32.600 -0.589 0.000 1.718 768 M HN 0.515 nan 8.290 nan 0.000 0.469 769 W N 3.200 124.279 121.300 -0.369 0.000 2.936 769 W HA 0.637 5.305 4.660 0.014 0.000 0.338 769 W C -1.286 175.045 176.519 -0.314 0.000 1.121 769 W CA -0.714 56.470 57.345 -0.268 0.000 1.209 769 W CB 1.662 31.001 29.460 -0.201 0.000 1.420 769 W HN 0.440 nan 8.180 nan 0.000 0.516 770 I N 2.773 123.348 120.570 0.008 0.000 2.382 770 I HA 0.409 4.587 4.170 0.013 0.000 0.285 770 I C 0.815 176.917 176.117 -0.025 0.000 1.007 770 I CA 0.199 61.452 61.300 -0.078 0.000 1.142 770 I CB 1.109 39.038 38.000 -0.118 0.000 1.289 770 I HN 0.764 nan 8.210 nan 0.000 0.453 771 G N 6.304 115.078 108.800 -0.043 0.000 2.531 771 G HA2 -0.331 3.638 3.960 0.013 0.000 0.274 771 G HA3 -0.331 3.638 3.960 0.013 0.000 0.274 771 G C 0.112 175.010 174.900 -0.004 0.000 1.159 771 G CA 0.625 45.703 45.100 -0.037 0.000 0.969 771 G HN 0.769 nan 8.290 nan 0.000 0.554 772 D N 0.496 120.907 120.400 0.018 0.000 2.363 772 D HA 0.386 5.034 4.640 0.013 0.000 0.214 772 D C 0.733 177.150 176.300 0.194 0.000 1.093 772 D CA 0.577 54.616 54.000 0.065 0.000 0.837 772 D CB 0.493 41.300 40.800 0.011 0.000 0.948 772 D HN 0.624 nan 8.370 nan 0.000 0.507 773 K N 1.361 121.845 120.400 0.139 0.000 2.248 773 K HA 0.256 4.584 4.320 0.013 0.000 0.281 773 K C -0.420 176.185 176.600 0.009 0.000 1.054 773 K CA -0.586 55.746 56.287 0.075 0.000 0.903 773 K CB 0.856 33.355 32.500 -0.001 0.000 1.077 773 K HN -0.244 nan 8.250 nan 0.000 0.474 774 K N 3.041 123.382 120.400 -0.099 0.000 2.350 774 K HA 0.039 4.367 4.320 0.013 0.000 0.279 774 K C 0.560 176.996 176.600 -0.272 0.000 1.027 774 K CA -0.231 55.813 56.287 -0.405 0.000 0.969 774 K CB 0.858 33.131 32.500 -0.380 0.000 0.954 774 K HN 0.579 nan 8.250 nan 0.000 0.474 775 Q N 1.517 121.118 119.800 -0.332 0.000 2.392 775 Q HA 0.177 4.525 4.340 0.013 0.000 0.219 775 Q C 0.014 175.948 176.000 -0.111 0.000 0.895 775 Q CA 0.581 56.306 55.803 -0.131 0.000 0.929 775 Q CB 0.427 29.130 28.738 -0.059 0.000 1.077 775 Q HN 0.490 nan 8.270 nan 0.000 0.532 776 L N 0.540 121.624 121.223 -0.231 0.000 2.362 776 L HA 0.396 4.744 4.340 0.013 0.000 0.271 776 L C 0.852 177.595 176.870 -0.211 0.000 1.002 776 L CA -0.402 54.318 54.840 -0.200 0.000 0.818 776 L CB 1.738 43.667 42.059 -0.216 0.000 1.298 776 L HN -0.101 nan 8.230 nan 0.000 0.420 777 L N 0.184 121.279 121.223 -0.213 0.000 2.515 777 L HA 0.248 4.596 4.340 0.013 0.000 0.223 777 L C 0.212 176.975 176.870 -0.178 0.000 1.079 777 L CA 0.667 55.391 54.840 -0.193 0.000 0.857 777 L CB 0.435 42.371 42.059 -0.205 0.000 1.050 777 L HN 0.597 nan 8.230 nan 0.000 0.476 778 T N 0.419 114.839 114.554 -0.224 0.000 2.916 778 T HA 0.398 4.756 4.350 0.013 0.000 0.298 778 T C -2.566 172.060 174.700 -0.123 0.000 1.031 778 T CA -1.129 60.882 62.100 -0.150 0.000 0.993 778 T CB 2.549 71.298 68.868 -0.197 0.000 1.045 778 T HN -0.259 nan 8.240 nan 0.000 0.454 779 P HA 0.144 nan 4.420 nan 0.000 0.270 779 P C -0.601 176.663 177.300 -0.060 0.000 1.227 779 P CA -0.697 62.373 63.100 -0.049 0.000 0.788 779 P CB 0.447 32.157 31.700 0.017 0.000 0.926 780 L N 2.811 124.031 121.223 -0.004 0.000 2.295 780 L HA 0.265 4.613 4.340 0.013 0.000 0.288 780 L C 0.123 176.943 176.870 -0.083 0.000 1.079 780 L CA 0.499 55.367 54.840 0.046 0.000 0.830 780 L CB -0.561 41.630 42.059 0.220 0.000 1.200 780 L HN 0.260 nan 8.230 nan 0.000 0.438 781 R N 2.973 123.311 120.500 -0.271 0.000 2.807 781 R HA 0.440 4.788 4.340 0.013 0.000 0.276 781 R C -0.836 175.305 176.300 -0.265 0.000 0.979 781 R CA -1.070 54.653 56.100 -0.628 0.000 0.928 781 R CB 1.355 31.177 30.300 -0.797 0.000 1.191 781 R HN 0.563 nan 8.270 nan 0.000 0.471 782 D N 1.190 121.511 120.400 -0.131 0.000 2.378 782 D HA 0.007 4.655 4.640 0.013 0.000 0.238 782 D C -0.307 175.672 176.300 -0.535 0.000 1.180 782 D CA 0.656 54.492 54.000 -0.275 0.000 0.895 782 D CB 0.617 41.276 40.800 -0.236 0.000 1.192 782 D HN 0.219 nan 8.370 nan 0.000 0.438 783 Q N 0.795 120.058 119.800 -0.895 0.000 2.284 783 Q HA 0.327 4.675 4.340 0.013 0.000 0.269 783 Q C -1.373 173.885 176.000 -1.235 0.000 1.026 783 Q CA -0.574 54.748 55.803 -0.802 0.000 0.831 783 Q CB 0.851 29.316 28.738 -0.454 0.000 1.322 783 Q HN 0.553 nan 8.270 nan 0.000 0.419 784 F N 0.783 120.340 119.950 -0.656 0.000 2.729 784 F HA 0.217 4.752 4.527 0.013 0.000 0.315 784 F C 0.475 175.827 175.800 -0.746 0.000 1.102 784 F CA -0.107 57.388 58.000 -0.842 0.000 1.204 784 F CB 1.604 39.766 39.000 -1.397 0.000 1.052 784 F HN 0.463 nan 8.300 nan 0.000 0.551 785 T N -1.015 113.223 114.554 -0.527 0.000 2.887 785 T HA 0.767 5.125 4.350 0.013 0.000 0.292 785 T C -0.634 173.823 174.700 -0.405 0.000 1.087 785 T CA -1.039 60.685 62.100 -0.627 0.000 1.009 785 T CB 2.739 71.139 68.868 -0.779 0.000 1.203 785 T HN 0.229 nan 8.240 nan 0.000 0.518 786 R N -0.132 120.187 120.500 -0.301 0.000 2.795 786 R HA 0.789 5.137 4.340 0.013 0.000 0.275 786 R C -0.746 175.630 176.300 0.125 0.000 0.981 786 R CA -1.219 54.832 56.100 -0.080 0.000 0.917 786 R CB 1.578 31.835 30.300 -0.073 0.000 1.202 786 R HN 0.834 nan 8.270 nan 0.000 0.469 787 A N 3.606 126.473 122.820 0.079 0.000 2.491 787 A HA 0.297 4.625 4.320 0.013 0.000 0.261 787 A C -2.002 175.654 177.584 0.120 0.000 1.101 787 A CA -1.320 50.757 52.037 0.067 0.000 0.772 787 A CB -0.430 18.553 19.000 -0.027 0.000 1.043 787 A HN 0.581 nan 8.150 nan 0.000 0.501 788 P HA 0.131 nan 4.420 nan 0.000 0.266 788 P C -0.313 177.109 177.300 0.203 0.000 1.195 788 P CA 0.288 63.547 63.100 0.266 0.000 0.768 788 P CB 0.443 32.327 31.700 0.306 0.000 0.838 789 L N 2.368 123.684 121.223 0.156 0.000 2.456 789 L HA 0.173 4.521 4.340 0.013 0.000 0.257 789 L C 1.787 178.716 176.870 0.098 0.000 1.162 789 L CA -0.475 54.406 54.840 0.068 0.000 0.808 789 L CB 0.070 42.106 42.059 -0.039 0.000 1.136 789 L HN 0.300 nan 8.230 nan 0.000 0.466 790 D N 0.517 120.944 120.400 0.045 0.000 2.158 790 D HA -0.167 4.481 4.640 0.013 0.000 0.197 790 D C 1.578 177.885 176.300 0.012 0.000 0.995 790 D CA 1.368 55.351 54.000 -0.028 0.000 0.846 790 D CB 0.083 40.835 40.800 -0.080 0.000 0.941 790 D HN 0.468 nan 8.370 nan 0.000 0.456 791 N N 0.875 119.580 118.700 0.009 0.000 2.309 791 N HA -0.103 4.645 4.740 0.013 0.000 0.182 791 N C 1.164 176.711 175.510 0.062 0.000 1.018 791 N CA 0.660 53.726 53.050 0.026 0.000 0.876 791 N CB -0.124 38.363 38.487 0.000 0.000 0.972 791 N HN 0.254 nan 8.380 nan 0.000 0.434 792 D N 0.520 120.973 120.400 0.088 0.000 2.183 792 D HA 0.031 4.679 4.640 0.013 0.000 0.203 792 D C 2.002 178.358 176.300 0.093 0.000 0.969 792 D CA 0.380 54.461 54.000 0.135 0.000 0.842 792 D CB 0.105 41.062 40.800 0.262 0.000 0.957 792 D HN 0.304 nan 8.370 nan 0.000 0.484 793 I N 0.445 121.059 120.570 0.074 0.000 2.406 793 I HA -0.027 4.151 4.170 0.013 0.000 0.249 793 I C 1.146 177.261 176.117 -0.002 0.000 1.122 793 I CA 0.547 61.867 61.300 0.033 0.000 1.431 793 I CB -0.274 37.730 38.000 0.007 0.000 1.087 793 I HN 0.007 nan 8.210 nan 0.000 0.424 794 G N 2.652 111.460 108.800 0.013 0.000 2.372 794 G HA2 -0.162 3.806 3.960 0.013 0.000 0.290 794 G HA3 -0.162 3.806 3.960 0.013 0.000 0.290 794 G C -0.097 174.806 174.900 0.006 0.000 0.965 794 G CA 0.493 45.605 45.100 0.021 0.000 1.263 794 G HN 0.381 nan 8.290 nan 0.000 0.498 795 V N -2.082 117.816 119.914 -0.028 0.000 2.962 795 V HA 0.941 5.069 4.120 0.013 0.000 0.313 795 V C 0.556 176.460 176.094 -0.316 0.000 1.099 795 V CA 0.081 62.299 62.300 -0.137 0.000 0.971 795 V CB 1.935 33.664 31.823 -0.157 0.000 1.028 795 V HN 1.115 nan 8.190 nan 0.000 0.430 796 S N 0.092 115.402 115.700 -0.650 0.000 2.787 796 S HA 0.414 4.892 4.470 0.013 0.000 0.255 796 S C 0.036 173.890 174.600 -1.244 0.000 1.051 796 S CA -0.272 56.947 58.200 -1.636 0.000 1.124 796 S CB -0.024 62.112 63.200 -1.774 0.000 1.104 796 S HN 0.837 nan 8.310 nan 0.000 0.623 797 E N 0.894 120.691 120.200 -0.671 0.000 2.244 797 E HA 0.600 4.958 4.350 0.013 0.000 0.260 797 E C 0.311 176.730 176.600 -0.302 0.000 0.884 797 E CA -0.372 55.753 56.400 -0.458 0.000 0.777 797 E CB 1.865 31.326 29.700 -0.398 0.000 1.197 797 E HN 0.234 nan 8.360 nan 0.000 0.416 798 A N 2.394 125.076 122.820 -0.230 0.000 2.076 798 A HA -0.204 4.125 4.320 0.013 0.000 0.220 798 A C 2.048 179.566 177.584 -0.109 0.000 1.160 798 A CA 2.320 54.275 52.037 -0.136 0.000 0.653 798 A CB -0.688 18.266 19.000 -0.076 0.000 0.801 798 A HN 0.687 nan 8.150 nan 0.000 0.455 799 T N -1.466 113.010 114.554 -0.130 0.000 2.809 799 T HA 0.005 4.363 4.350 0.013 0.000 0.260 799 T C 1.072 175.710 174.700 -0.102 0.000 1.039 799 T CA 0.313 62.351 62.100 -0.102 0.000 1.141 799 T CB -0.338 68.463 68.868 -0.110 0.000 0.869 799 T HN 0.477 nan 8.240 nan 0.000 0.437 800 R N 1.540 121.957 120.500 -0.137 0.000 2.538 800 R HA 0.400 4.748 4.340 0.013 0.000 0.282 800 R C -0.883 175.349 176.300 -0.114 0.000 1.009 800 R CA 0.049 56.067 56.100 -0.137 0.000 1.063 800 R CB -0.060 30.136 30.300 -0.172 0.000 0.945 800 R HN 0.383 nan 8.270 nan 0.000 0.414 801 I N 1.027 121.542 120.570 -0.093 0.000 2.608 801 I HA 0.260 4.438 4.170 0.013 0.000 0.295 801 I C -0.595 175.477 176.117 -0.076 0.000 1.049 801 I CA -0.654 60.601 61.300 -0.075 0.000 1.063 801 I CB 2.094 40.059 38.000 -0.058 0.000 1.248 801 I HN 0.373 nan 8.210 nan 0.000 0.424 802 D N 5.757 126.112 120.400 -0.076 0.000 2.575 802 D HA 0.394 5.042 4.640 0.013 0.000 0.250 802 D C -2.081 174.160 176.300 -0.099 0.000 1.279 802 D CA -2.011 51.939 54.000 -0.084 0.000 0.925 802 D CB 2.584 43.335 40.800 -0.082 0.000 1.261 802 D HN 0.144 nan 8.370 nan 0.000 0.567 803 P HA -0.063 nan 4.420 nan 0.000 0.222 803 P C 0.895 178.098 177.300 -0.163 0.000 1.147 803 P CA 0.557 63.591 63.100 -0.109 0.000 0.790 803 P CB 0.501 32.147 31.700 -0.090 0.000 0.780 804 N N -0.295 118.298 118.700 -0.178 0.000 2.463 804 N HA 0.042 4.790 4.740 0.013 0.000 0.181 804 N C 0.652 175.952 175.510 -0.351 0.000 1.078 804 N CA 0.026 52.922 53.050 -0.257 0.000 0.902 804 N CB 0.029 38.389 38.487 -0.212 0.000 0.970 804 N HN 0.063 nan 8.380 nan 0.000 0.451 805 A N -0.099 122.563 122.820 -0.264 0.000 2.425 805 A HA 0.023 4.351 4.320 0.013 0.000 0.242 805 A C 0.828 178.179 177.584 -0.388 0.000 1.077 805 A CA -0.304 51.572 52.037 -0.268 0.000 0.781 805 A CB -0.036 18.885 19.000 -0.131 0.000 1.020 805 A HN 0.361 nan 8.150 nan 0.000 0.494 806 W N 1.315 122.358 121.300 -0.429 0.000 2.335 806 W HA -0.161 4.507 4.660 0.013 0.000 0.311 806 W C 2.236 178.164 176.519 -0.985 0.000 1.213 806 W CA 1.633 58.448 57.345 -0.883 0.000 1.274 806 W CB -0.343 28.518 29.460 -0.997 0.000 1.148 806 W HN 0.543 nan 8.180 nan 0.000 0.498 807 V N 0.810 120.602 119.914 -0.204 0.000 2.407 807 V HA -0.265 3.863 4.120 0.013 0.000 0.248 807 V C 2.210 178.364 176.094 0.100 0.000 1.055 807 V CA 2.079 64.459 62.300 0.134 0.000 1.049 807 V CB -0.388 31.559 31.823 0.208 0.000 0.662 807 V HN 0.064 nan 8.190 nan 0.000 0.455 808 E N 0.148 120.323 120.200 -0.042 0.000 2.077 808 E HA -0.209 4.149 4.350 0.013 0.000 0.193 808 E C 2.343 178.902 176.600 -0.069 0.000 0.989 808 E CA 1.439 57.812 56.400 -0.044 0.000 0.800 808 E CB -0.346 29.302 29.700 -0.087 0.000 0.746 808 E HN 0.634 nan 8.360 nan 0.000 0.452 809 R N -0.339 120.042 120.500 -0.199 0.000 2.066 809 R HA -0.114 4.234 4.340 0.013 0.000 0.232 809 R C 2.359 178.584 176.300 -0.126 0.000 1.131 809 R CA 1.333 57.295 56.100 -0.231 0.000 0.955 809 R CB -0.253 29.799 30.300 -0.415 0.000 0.851 809 R HN 0.249 nan 8.270 nan 0.000 0.432 810 W N 1.621 122.895 121.300 -0.043 0.000 2.363 810 W HA -0.064 4.604 4.660 0.014 0.000 0.296 810 W C 1.916 178.394 176.519 -0.067 0.000 1.212 810 W CA 0.692 57.906 57.345 -0.218 0.000 1.260 810 W CB -0.549 28.917 29.460 0.010 0.000 1.131 810 W HN 0.106 nan 8.180 nan 0.000 0.530 811 K N 0.269 120.874 120.400 0.342 0.000 2.026 811 K HA -0.094 4.234 4.320 0.013 0.000 0.208 811 K C 2.287 178.946 176.600 0.099 0.000 1.048 811 K CA 1.889 58.340 56.287 0.273 0.000 0.929 811 K CB -0.683 31.931 32.500 0.191 0.000 0.713 811 K HN -0.034 nan 8.250 nan 0.000 0.439 812 A N 1.021 123.870 122.820 0.048 0.000 2.070 812 A HA -0.073 4.255 4.320 0.013 0.000 0.220 812 A C 2.129 179.709 177.584 -0.008 0.000 1.159 812 A CA 1.741 53.789 52.037 0.019 0.000 0.656 812 A CB -0.524 18.474 19.000 -0.004 0.000 0.800 812 A HN 0.337 nan 8.150 nan 0.000 0.453 813 A N -1.942 120.843 122.820 -0.059 0.000 2.251 813 A HA 0.427 4.755 4.320 0.013 0.000 0.209 813 A C 1.732 179.227 177.584 -0.150 0.000 1.187 813 A CA 1.110 53.108 52.037 -0.064 0.000 0.823 813 A CB -0.796 18.133 19.000 -0.119 0.000 0.846 813 A HN 1.825 nan 8.150 nan 0.000 0.486 814 G N -1.287 107.322 108.800 -0.318 0.000 2.143 814 G HA2 -0.311 3.658 3.960 0.013 0.000 0.249 814 G HA3 -0.311 3.658 3.960 0.013 0.000 0.249 814 G C 0.602 175.453 174.900 -0.081 0.000 0.981 814 G CA 0.707 45.363 45.100 -0.740 0.000 0.665 814 G HN 0.750 nan 8.290 nan 0.000 0.528 815 H N -1.547 117.486 119.070 -0.062 0.000 2.387 815 H HA -0.053 4.511 4.556 0.013 0.000 0.299 815 H C 2.259 177.559 175.328 -0.047 0.000 1.090 815 H CA 1.483 57.512 56.048 -0.031 0.000 1.332 815 H CB 0.074 29.764 29.762 -0.120 0.000 1.386 815 H HN 0.588 nan 8.280 nan 0.000 0.516 816 Y N 0.681 121.102 120.300 0.201 0.000 2.439 816 Y HA -0.132 4.426 4.550 0.013 0.000 0.292 816 Y C 1.934 177.919 175.900 0.141 0.000 1.130 816 Y CA 0.793 58.977 58.100 0.141 0.000 1.254 816 Y CB 0.296 38.825 38.460 0.114 0.000 1.000 816 Y HN 0.163 nan 8.280 nan 0.000 0.554 817 Q N -0.306 119.648 119.800 0.256 0.000 2.282 817 Q HA 0.299 4.647 4.340 0.013 0.000 0.206 817 Q C 0.548 176.729 176.000 0.301 0.000 0.878 817 Q CA -0.029 55.925 55.803 0.252 0.000 0.944 817 Q CB 0.612 29.495 28.738 0.243 0.000 1.100 817 Q HN 0.272 nan 8.270 nan 0.000 0.509 818 A N 1.368 124.386 122.820 0.330 0.000 2.540 818 A HA 0.035 4.363 4.320 0.013 0.000 0.239 818 A C -0.088 177.797 177.584 0.502 0.000 1.061 818 A CA 0.303 52.601 52.037 0.434 0.000 0.758 818 A CB 0.245 19.555 19.000 0.516 0.000 0.991 818 A HN 0.157 nan 8.150 nan 0.000 0.502 819 E N 0.768 121.175 120.200 0.346 0.000 2.183 819 E HA 0.476 4.835 4.350 0.013 0.000 0.271 819 E C -0.356 176.177 176.600 -0.111 0.000 0.919 819 E CA -0.576 55.934 56.400 0.183 0.000 0.781 819 E CB 1.979 31.759 29.700 0.133 0.000 1.140 819 E HN 0.763 nan 8.360 nan 0.000 0.402 820 A N 2.233 124.861 122.820 -0.320 0.000 2.404 820 A HA 0.496 4.824 4.320 0.013 0.000 0.273 820 A C -0.110 177.313 177.584 -0.268 0.000 1.144 820 A CA -0.220 51.375 52.037 -0.737 0.000 0.806 820 A CB 0.282 18.973 19.000 -0.514 0.000 1.080 820 A HN 0.562 nan 8.150 nan 0.000 0.509 821 A N 2.912 125.581 122.820 -0.252 0.000 2.276 821 A HA 0.575 4.903 4.320 0.013 0.000 0.316 821 A C -0.291 177.210 177.584 -0.137 0.000 1.229 821 A CA -0.545 51.422 52.037 -0.118 0.000 0.851 821 A CB 0.374 19.330 19.000 -0.074 0.000 1.165 821 A HN 1.230 nan 8.150 nan 0.000 0.513 822 L N 3.346 124.477 121.223 -0.154 0.000 2.360 822 L HA 0.340 4.688 4.340 0.013 0.000 0.276 822 L C 0.425 177.160 176.870 -0.226 0.000 1.121 822 L CA 0.274 54.929 54.840 -0.308 0.000 0.845 822 L CB 0.283 42.178 42.059 -0.274 0.000 1.143 822 L HN 0.764 nan 8.230 nan 0.000 0.452 823 L N 3.505 124.576 121.223 -0.252 0.000 2.425 823 L HA 0.302 4.650 4.340 0.013 0.000 0.215 823 L C 0.377 177.180 176.870 -0.112 0.000 1.065 823 L CA 0.077 54.839 54.840 -0.130 0.000 0.842 823 L CB -0.014 42.005 42.059 -0.068 0.000 1.033 823 L HN 0.782 nan 8.230 nan 0.000 0.474 824 Q N -0.433 119.275 119.800 -0.153 0.000 2.438 824 Q HA 0.359 4.707 4.340 0.013 0.000 0.272 824 Q C -1.921 174.020 176.000 -0.099 0.000 0.994 824 Q CA -0.696 55.053 55.803 -0.091 0.000 0.887 824 Q CB 2.781 31.494 28.738 -0.041 0.000 1.432 824 Q HN 0.025 nan 8.270 nan 0.000 0.392 825 C N 3.356 122.640 119.300 -0.026 0.000 2.781 825 C HA 0.789 5.257 4.460 0.013 0.000 0.348 825 C C -0.796 174.315 174.990 0.202 0.000 1.051 825 C CA 0.592 59.637 59.018 0.045 0.000 1.347 825 C CB 0.499 28.238 27.740 -0.002 0.000 1.846 825 C HN 0.854 nan 8.230 nan 0.000 0.473 826 T N 2.323 116.965 114.554 0.147 0.000 2.916 826 T HA 0.911 5.269 4.350 0.013 0.000 0.292 826 T C -0.500 174.060 174.700 -0.233 0.000 1.064 826 T CA -0.374 61.777 62.100 0.085 0.000 1.011 826 T CB 1.964 70.830 68.868 -0.004 0.000 1.152 826 T HN 1.562 nan 8.240 nan 0.000 0.510 827 A N 1.279 123.769 122.820 -0.549 0.000 2.393 827 A HA 0.754 5.082 4.320 0.013 0.000 0.306 827 A C -1.231 176.108 177.584 -0.409 0.000 1.050 827 A CA -0.721 50.851 52.037 -0.776 0.000 0.724 827 A CB 1.233 19.258 19.000 -1.625 0.000 1.248 827 A HN 0.866 nan 8.150 nan 0.000 0.424 828 D N 1.001 121.220 120.400 -0.301 0.000 2.732 828 D HA 0.515 5.164 4.640 0.013 0.000 0.229 828 D C -0.980 175.227 176.300 -0.154 0.000 1.152 828 D CA 0.013 53.902 54.000 -0.185 0.000 0.854 828 D CB 2.451 43.174 40.800 -0.128 0.000 1.590 828 D HN 0.457 nan 8.370 nan 0.000 0.468 829 T N 1.518 116.004 114.554 -0.113 0.000 2.794 829 T HA 0.549 4.907 4.350 0.013 0.000 0.280 829 T C 0.607 175.271 174.700 -0.061 0.000 0.987 829 T CA -0.528 61.521 62.100 -0.085 0.000 0.993 829 T CB 1.179 70.003 68.868 -0.074 0.000 0.939 829 T HN 0.128 nan 8.240 nan 0.000 0.449 830 L N 1.210 122.404 121.223 -0.049 0.000 2.491 830 L HA 0.657 5.005 4.340 0.013 0.000 0.264 830 L C 1.972 178.830 176.870 -0.021 0.000 1.053 830 L CA -1.258 53.562 54.840 -0.035 0.000 0.858 830 L CB 0.326 42.365 42.059 -0.033 0.000 1.519 830 L HN 0.711 nan 8.230 nan 0.000 0.508 831 A N 0.062 122.873 122.820 -0.014 0.000 1.930 831 A HA -0.146 4.182 4.320 0.013 0.000 0.217 831 A C 0.937 178.523 177.584 0.004 0.000 1.175 831 A CA 2.048 54.081 52.037 -0.006 0.000 0.627 831 A CB -0.712 18.284 19.000 -0.007 0.000 0.815 831 A HN 0.919 nan 8.150 nan 0.000 0.443 832 D N -3.595 116.806 120.400 0.002 0.000 2.636 832 D HA 0.572 5.220 4.640 0.013 0.000 0.270 832 D C -0.121 176.185 176.300 0.010 0.000 1.430 832 D CA 0.432 54.440 54.000 0.013 0.000 0.796 832 D CB 0.378 41.181 40.800 0.006 0.000 1.117 832 D HN 0.466 nan 8.370 nan 0.000 0.480 833 A N -0.447 122.371 122.820 -0.003 0.000 2.566 833 A HA 0.626 4.954 4.320 0.013 0.000 0.290 833 A C -1.812 175.746 177.584 -0.042 0.000 1.071 833 A CA -0.807 51.215 52.037 -0.024 0.000 0.658 833 A CB 1.294 20.272 19.000 -0.035 0.000 1.285 833 A HN 0.135 nan 8.150 nan 0.000 0.427 834 V N 0.715 120.585 119.914 -0.073 0.000 2.459 834 V HA 0.634 4.762 4.120 0.013 0.000 0.295 834 V C -0.912 175.100 176.094 -0.137 0.000 1.029 834 V CA -0.421 61.816 62.300 -0.105 0.000 0.874 834 V CB 1.334 33.098 31.823 -0.099 0.000 0.985 834 V HN 0.846 nan 8.190 nan 0.000 0.438 835 L N 6.591 127.720 121.223 -0.157 0.000 2.319 835 L HA 0.634 4.982 4.340 0.013 0.000 0.281 835 L C -0.799 175.935 176.870 -0.227 0.000 1.005 835 L CA 0.019 54.770 54.840 -0.149 0.000 0.828 835 L CB 1.200 43.197 42.059 -0.104 0.000 1.227 835 L HN 0.408 nan 8.230 nan 0.000 0.415 836 I N 4.076 124.496 120.570 -0.250 0.000 2.377 836 I HA 0.417 4.596 4.170 0.013 0.000 0.293 836 I C 0.019 176.079 176.117 -0.095 0.000 0.987 836 I CA -0.241 60.852 61.300 -0.346 0.000 1.185 836 I CB 1.602 39.110 38.000 -0.820 0.000 1.341 836 I HN 0.550 nan 8.210 nan 0.000 0.455 837 T N 4.831 119.344 114.554 -0.067 0.000 2.807 837 T HA 0.622 4.980 4.350 0.013 0.000 0.279 837 T C 0.164 174.902 174.700 0.064 0.000 0.993 837 T CA -0.505 61.610 62.100 0.025 0.000 0.970 837 T CB 1.733 70.597 68.868 -0.006 0.000 0.950 837 T HN 0.787 nan 8.240 nan 0.000 0.441 838 T N -0.490 114.142 114.554 0.129 0.000 2.906 838 T HA 0.871 5.229 4.350 0.013 0.000 0.295 838 T C -1.179 173.571 174.700 0.083 0.000 1.075 838 T CA -1.052 61.107 62.100 0.097 0.000 1.005 838 T CB 1.998 70.986 68.868 0.200 0.000 1.136 838 T HN 0.763 nan 8.240 nan 0.000 0.498 839 A N 1.566 124.353 122.820 -0.056 0.000 2.427 839 A HA 0.769 5.097 4.320 0.013 0.000 0.298 839 A C -1.424 176.029 177.584 -0.219 0.000 1.036 839 A CA -0.752 51.280 52.037 -0.008 0.000 0.701 839 A CB 0.869 19.882 19.000 0.021 0.000 1.250 839 A HN 1.012 nan 8.150 nan 0.000 0.412 840 H N 0.014 119.139 119.070 0.091 0.000 2.895 840 H HA 0.783 5.348 4.556 0.014 0.000 0.373 840 H C -0.114 175.251 175.328 0.062 0.000 1.174 840 H CA 0.253 56.274 56.048 -0.046 0.000 1.144 840 H CB 2.170 31.799 29.762 -0.222 0.000 1.793 840 H HN 1.005 nan 8.280 nan 0.000 0.551 841 A N 1.800 124.651 122.820 0.052 0.000 2.355 841 A HA 0.462 4.791 4.320 0.013 0.000 0.317 841 A C -1.352 176.276 177.584 0.072 0.000 1.094 841 A CA -0.701 51.439 52.037 0.172 0.000 0.764 841 A CB 1.163 20.223 19.000 0.099 0.000 1.230 841 A HN 0.584 nan 8.150 nan 0.000 0.448 842 W N 1.946 123.347 121.300 0.168 0.000 2.429 842 W HA 0.455 5.123 4.660 0.014 0.000 0.314 842 W C -0.304 176.239 176.519 0.040 0.000 1.062 842 W CA -0.244 57.195 57.345 0.156 0.000 1.211 842 W CB 1.731 31.333 29.460 0.236 0.000 1.305 842 W HN 0.828 nan 8.180 nan 0.000 0.476 843 Q N 1.319 121.263 119.800 0.239 0.000 2.587 843 Q HA 0.506 4.854 4.340 0.013 0.000 0.293 843 Q C -1.113 175.032 176.000 0.242 0.000 1.083 843 Q CA -1.031 54.872 55.803 0.166 0.000 0.792 843 Q CB 3.516 32.311 28.738 0.095 0.000 1.484 843 Q HN 0.430 nan 8.270 nan 0.000 0.446 844 H N 0.722 119.829 119.070 0.061 0.000 2.966 844 H HA 0.070 4.634 4.556 0.014 0.000 0.347 844 H C -0.908 174.453 175.328 0.056 0.000 1.048 844 H CA -0.213 55.881 56.048 0.077 0.000 1.295 844 H CB 1.263 31.079 29.762 0.090 0.000 1.744 844 H HN 0.683 nan 8.280 nan 0.000 0.513 845 Q N 2.927 122.422 119.800 -0.509 0.000 2.481 845 Q HA -0.189 4.159 4.340 0.013 0.000 0.272 845 Q C 1.077 177.011 176.000 -0.110 0.000 1.157 845 Q CA 1.804 57.410 55.803 -0.328 0.000 0.935 845 Q CB -1.791 26.763 28.738 -0.306 0.000 1.338 845 Q HN 1.217 nan 8.270 nan 0.000 0.494 846 G N -1.590 107.177 108.800 -0.056 0.000 2.241 846 G HA2 -0.372 3.596 3.960 0.013 0.000 0.244 846 G HA3 -0.372 3.596 3.960 0.013 0.000 0.244 846 G C 0.130 175.038 174.900 0.013 0.000 0.998 846 G CA 0.431 45.522 45.100 -0.015 0.000 0.621 846 G HN 0.487 nan 8.290 nan 0.000 0.519 847 K N 1.324 121.744 120.400 0.034 0.000 2.138 847 K HA 0.659 4.987 4.320 0.013 0.000 0.263 847 K C -0.175 176.448 176.600 0.039 0.000 0.965 847 K CA -0.125 56.185 56.287 0.039 0.000 0.868 847 K CB 1.108 33.639 32.500 0.052 0.000 1.083 847 K HN -0.004 nan 8.250 nan 0.000 0.443 848 T N 5.610 120.175 114.554 0.019 0.000 2.729 848 T HA 0.221 4.580 4.350 0.013 0.000 0.296 848 T C 1.048 175.701 174.700 -0.079 0.000 0.928 848 T CA -0.399 61.708 62.100 0.013 0.000 1.045 848 T CB 0.399 69.290 68.868 0.038 0.000 0.902 848 T HN 0.536 nan 8.240 nan 0.000 0.500 849 L N 2.488 123.577 121.223 -0.223 0.000 2.145 849 L HA 0.355 4.704 4.340 0.013 0.000 0.201 849 L C -0.021 176.352 176.870 -0.829 0.000 1.075 849 L CA 0.887 55.316 54.840 -0.685 0.000 0.773 849 L CB 0.027 41.330 42.059 -1.259 0.000 0.936 849 L HN 0.517 nan 8.230 nan 0.000 0.451 850 F N -1.149 118.745 119.950 -0.094 0.000 2.613 850 F HA 0.557 5.092 4.527 0.013 0.000 0.310 850 F C -0.489 175.385 175.800 0.124 0.000 1.085 850 F CA -0.801 57.075 58.000 -0.207 0.000 0.945 850 F CB 2.134 40.593 39.000 -0.901 0.000 1.298 850 F HN -0.319 nan 8.300 nan 0.000 0.455 851 I N 1.453 122.233 120.570 0.349 0.000 2.465 851 I HA 0.392 4.571 4.170 0.013 0.000 0.291 851 I C -0.763 175.619 176.117 0.442 0.000 1.014 851 I CA -0.564 60.982 61.300 0.411 0.000 1.093 851 I CB 2.222 40.376 38.000 0.257 0.000 1.267 851 I HN 0.525 nan 8.210 nan 0.000 0.431 852 S N 6.579 122.646 115.700 0.612 0.000 2.498 852 S HA 0.582 5.060 4.470 0.013 0.000 0.317 852 S C -0.720 174.132 174.600 0.420 0.000 1.090 852 S CA -0.704 57.821 58.200 0.541 0.000 1.089 852 S CB 0.696 64.351 63.200 0.759 0.000 0.997 852 S HN 0.551 nan 8.310 nan 0.000 0.470 853 R N 3.502 124.168 120.500 0.277 0.000 2.387 853 R HA 0.565 4.913 4.340 0.013 0.000 0.314 853 R C -0.703 175.676 176.300 0.133 0.000 0.958 853 R CA -0.749 55.468 56.100 0.197 0.000 0.846 853 R CB 1.761 32.145 30.300 0.141 0.000 1.147 853 R HN 0.538 nan 8.270 nan 0.000 0.447 854 K N 0.915 121.391 120.400 0.126 0.000 2.443 854 K HA 0.495 4.823 4.320 0.013 0.000 0.251 854 K C -0.817 175.780 176.600 -0.004 0.000 0.972 854 K CA -0.928 55.362 56.287 0.005 0.000 0.833 854 K CB 2.634 35.121 32.500 -0.021 0.000 1.317 854 K HN 0.640 nan 8.250 nan 0.000 0.441 855 T N -1.352 113.126 114.554 -0.126 0.000 2.916 855 T HA 0.540 4.898 4.350 0.013 0.000 0.298 855 T C -1.317 173.274 174.700 -0.181 0.000 1.031 855 T CA -0.784 61.283 62.100 -0.056 0.000 0.993 855 T CB 0.472 69.327 68.868 -0.021 0.000 1.045 855 T HN 0.371 nan 8.240 nan 0.000 0.454 856 Y N 1.041 121.309 120.300 -0.053 0.000 2.341 856 Y HA 0.662 5.220 4.550 0.014 0.000 0.338 856 Y C 0.481 176.316 175.900 -0.109 0.000 0.965 856 Y CA -1.233 56.850 58.100 -0.029 0.000 1.108 856 Y CB 1.874 40.351 38.460 0.028 0.000 1.180 856 Y HN 0.720 nan 8.280 nan 0.000 0.458 857 R N 4.592 125.120 120.500 0.047 0.000 2.371 857 R HA 0.610 4.958 4.340 0.013 0.000 0.312 857 R C -1.712 174.542 176.300 -0.077 0.000 0.980 857 R CA -0.324 55.759 56.100 -0.028 0.000 0.867 857 R CB 0.417 30.709 30.300 -0.014 0.000 1.163 857 R HN 0.799 nan 8.270 nan 0.000 0.492 858 I N 4.728 125.194 120.570 -0.172 0.000 2.321 858 I HA 0.216 4.394 4.170 0.013 0.000 0.291 858 I C -0.105 175.916 176.117 -0.159 0.000 0.998 858 I CA -0.725 60.398 61.300 -0.295 0.000 1.227 858 I CB 1.503 39.107 38.000 -0.661 0.000 1.368 858 I HN 0.684 nan 8.210 nan 0.000 0.466 859 D N 3.889 124.239 120.400 -0.083 0.000 2.494 859 D HA 0.294 4.942 4.640 0.013 0.000 0.259 859 D C 1.212 177.534 176.300 0.036 0.000 1.109 859 D CA -0.722 53.272 54.000 -0.010 0.000 1.040 859 D CB 0.894 41.706 40.800 0.020 0.000 1.175 859 D HN 0.488 nan 8.370 nan 0.000 0.584 860 G N -1.520 107.322 108.800 0.070 0.000 2.708 860 G HA2 -0.098 3.871 3.960 0.013 0.000 0.210 860 G HA3 -0.098 3.871 3.960 0.013 0.000 0.210 860 G C 1.034 176.042 174.900 0.181 0.000 1.141 860 G CA 0.761 45.934 45.100 0.123 0.000 0.788 860 G HN 0.512 nan 8.290 nan 0.000 0.531 861 S N -1.270 114.526 115.700 0.160 0.000 2.556 861 S HA 0.384 4.863 4.470 0.013 0.000 0.216 861 S C 1.815 176.508 174.600 0.155 0.000 0.970 861 S CA 0.909 59.218 58.200 0.181 0.000 0.912 861 S CB 0.122 63.427 63.200 0.175 0.000 0.790 861 S HN 1.343 nan 8.310 nan 0.000 0.504 862 G N 0.621 109.525 108.800 0.174 0.000 2.176 862 G HA2 -0.243 3.726 3.960 0.013 0.000 0.253 862 G HA3 -0.243 3.726 3.960 0.013 0.000 0.253 862 G C -0.188 174.871 174.900 0.264 0.000 0.979 862 G CA 0.120 45.394 45.100 0.290 0.000 0.641 862 G HN 0.615 nan 8.290 nan 0.000 0.530 863 Q N -0.214 119.676 119.800 0.151 0.000 2.256 863 Q HA 0.606 4.954 4.340 0.013 0.000 0.254 863 Q C 0.306 176.351 176.000 0.075 0.000 0.916 863 Q CA -0.287 55.605 55.803 0.148 0.000 0.932 863 Q CB 1.452 30.268 28.738 0.131 0.000 1.207 863 Q HN 0.435 nan 8.270 nan 0.000 0.426 864 M N 2.640 122.313 119.600 0.123 0.000 2.080 864 M HA 0.426 4.914 4.480 0.013 0.000 0.350 864 M C -1.097 175.302 176.300 0.166 0.000 1.143 864 M CA -0.435 54.902 55.300 0.061 0.000 1.064 864 M CB 0.461 33.100 32.600 0.065 0.000 1.429 864 M HN 0.680 nan 8.290 nan 0.000 0.418 865 A N 6.697 129.581 122.820 0.105 0.000 2.309 865 A HA 0.584 4.912 4.320 0.013 0.000 0.290 865 A C -0.537 177.093 177.584 0.077 0.000 1.206 865 A CA -0.532 51.573 52.037 0.113 0.000 0.850 865 A CB -0.011 19.034 19.000 0.076 0.000 1.118 865 A HN 0.926 nan 8.150 nan 0.000 0.523 866 I N 2.342 122.954 120.570 0.070 0.000 2.336 866 I HA 0.309 4.487 4.170 0.013 0.000 0.292 866 I C 0.042 176.066 176.117 -0.155 0.000 0.991 866 I CA -0.048 61.185 61.300 -0.111 0.000 1.227 866 I CB 1.901 39.847 38.000 -0.091 0.000 1.366 866 I HN 0.498 nan 8.210 nan 0.000 0.466 867 T N 5.865 120.283 114.554 -0.226 0.000 2.792 867 T HA 0.547 4.905 4.350 0.013 0.000 0.280 867 T C -0.371 174.149 174.700 -0.300 0.000 0.990 867 T CA -0.464 61.517 62.100 -0.200 0.000 0.960 867 T CB 1.611 70.456 68.868 -0.039 0.000 0.939 867 T HN 0.213 nan 8.240 nan 0.000 0.439 868 V N 3.623 123.234 119.914 -0.505 0.000 2.588 868 V HA 0.524 4.653 4.120 0.013 0.000 0.304 868 V C -0.759 175.155 176.094 -0.299 0.000 1.042 868 V CA -0.907 61.101 62.300 -0.488 0.000 0.877 868 V CB 2.097 33.344 31.823 -0.961 0.000 0.996 868 V HN 0.840 nan 8.190 nan 0.000 0.425 869 D N 3.274 123.668 120.400 -0.009 0.000 2.542 869 D HA 0.507 5.155 4.640 0.013 0.000 0.252 869 D C -1.036 175.381 176.300 0.194 0.000 1.222 869 D CA -0.063 54.029 54.000 0.152 0.000 0.895 869 D CB 2.673 43.590 40.800 0.196 0.000 1.207 869 D HN 0.266 nan 8.370 nan 0.000 0.558 870 V N 2.095 122.159 119.914 0.250 0.000 2.715 870 V HA 0.341 4.469 4.120 0.013 0.000 0.310 870 V C 0.103 176.340 176.094 0.238 0.000 1.054 870 V CA -0.724 61.741 62.300 0.275 0.000 0.928 870 V CB 2.574 34.599 31.823 0.337 0.000 1.007 870 V HN 0.341 nan 8.190 nan 0.000 0.437 871 E N 2.106 122.436 120.200 0.216 0.000 2.171 871 E HA 0.621 4.979 4.350 0.013 0.000 0.271 871 E C -1.560 175.157 176.600 0.195 0.000 0.916 871 E CA -0.548 55.960 56.400 0.179 0.000 0.774 871 E CB 2.499 32.288 29.700 0.148 0.000 1.128 871 E HN 0.403 nan 8.360 nan 0.000 0.403 872 V N 2.126 122.160 119.914 0.199 0.000 2.487 872 V HA 0.378 4.506 4.120 0.013 0.000 0.298 872 V C 0.098 176.288 176.094 0.161 0.000 1.028 872 V CA -0.955 61.489 62.300 0.242 0.000 0.860 872 V CB 1.546 33.546 31.823 0.296 0.000 0.991 872 V HN 0.840 nan 8.190 nan 0.000 0.427 873 A N 3.464 126.334 122.820 0.083 0.000 2.567 873 A HA 0.254 4.582 4.320 0.013 0.000 0.240 873 A C 1.671 179.326 177.584 0.118 0.000 1.053 873 A CA 0.649 52.725 52.037 0.064 0.000 0.755 873 A CB 0.200 19.199 19.000 -0.001 0.000 0.978 873 A HN 1.397 nan 8.150 nan 0.000 0.507 874 S N 1.394 117.160 115.700 0.109 0.000 2.400 874 S HA -0.192 4.286 4.470 0.013 0.000 0.232 874 S C 1.023 175.707 174.600 0.140 0.000 1.025 874 S CA 1.518 59.800 58.200 0.136 0.000 0.993 874 S CB -0.325 62.936 63.200 0.103 0.000 0.808 874 S HN 0.841 nan 8.310 nan 0.000 0.478 875 D N 0.210 120.666 120.400 0.095 0.000 2.339 875 D HA 0.113 4.761 4.640 0.013 0.000 0.217 875 D C 0.669 177.011 176.300 0.070 0.000 1.050 875 D CA 0.147 54.188 54.000 0.069 0.000 0.856 875 D CB -0.542 40.283 40.800 0.042 0.000 0.922 875 D HN 0.341 nan 8.370 nan 0.000 0.518 876 T N 1.575 116.195 114.554 0.109 0.000 2.913 876 T HA 0.355 4.713 4.350 0.013 0.000 0.287 876 T C -2.554 172.271 174.700 0.209 0.000 1.008 876 T CA -1.807 60.382 62.100 0.149 0.000 1.067 876 T CB 1.146 70.112 68.868 0.163 0.000 0.996 876 T HN -0.130 nan 8.240 nan 0.000 0.513 877 P HA 0.076 nan 4.420 nan 0.000 0.265 877 P C -0.586 177.059 177.300 0.575 0.000 1.193 877 P CA 0.124 63.362 63.100 0.230 0.000 0.765 877 P CB -0.073 31.749 31.700 0.204 0.000 0.823 878 H N 3.836 123.296 119.070 0.650 0.000 3.034 878 H HA 0.054 4.618 4.556 0.013 0.000 0.324 878 H C -1.571 174.094 175.328 0.562 0.000 1.015 878 H CA -1.310 55.036 56.048 0.496 0.000 1.429 878 H CB -0.396 29.589 29.762 0.372 0.000 1.429 878 H HN 0.367 nan 8.280 nan 0.000 0.585 879 P HA -0.008 nan 4.420 nan 0.000 0.274 879 P C 0.193 177.373 177.300 -0.201 0.000 1.231 879 P CA -0.215 62.931 63.100 0.077 0.000 0.790 879 P CB 1.054 32.665 31.700 -0.147 0.000 0.951 880 A N 3.692 126.111 122.820 -0.669 0.000 1.972 880 A HA -0.125 4.203 4.320 0.013 0.000 0.219 880 A C 1.025 178.210 177.584 -0.666 0.000 1.169 880 A CA 1.434 53.047 52.037 -0.707 0.000 0.635 880 A CB -0.555 17.832 19.000 -1.021 0.000 0.810 880 A HN 0.761 nan 8.150 nan 0.000 0.446 881 R N -3.185 116.958 120.500 -0.595 0.000 2.728 881 R HA 0.738 5.086 4.340 0.013 0.000 0.274 881 R C -1.630 174.396 176.300 -0.457 0.000 1.030 881 R CA -0.827 54.945 56.100 -0.547 0.000 0.876 881 R CB 0.817 30.753 30.300 -0.606 0.000 1.259 881 R HN -0.007 nan 8.270 nan 0.000 0.468 882 I N 0.951 121.284 120.570 -0.394 0.000 2.542 882 I HA 0.641 4.819 4.170 0.013 0.000 0.278 882 I C -0.487 175.376 176.117 -0.422 0.000 1.069 882 I CA -0.294 60.780 61.300 -0.378 0.000 1.100 882 I CB 1.828 39.674 38.000 -0.256 0.000 1.204 882 I HN 0.955 nan 8.210 nan 0.000 0.470 883 G N 5.755 114.235 108.800 -0.533 0.000 2.634 883 G HA2 0.723 4.691 3.960 0.013 0.000 0.309 883 G HA3 0.723 4.691 3.960 0.013 0.000 0.309 883 G C -1.695 173.026 174.900 -0.297 0.000 1.299 883 G CA -0.627 44.226 45.100 -0.411 0.000 0.798 883 G HN 0.255 nan 8.290 nan 0.000 0.490 884 L N 0.878 121.991 121.223 -0.183 0.000 2.323 884 L HA 0.672 5.020 4.340 0.013 0.000 0.265 884 L C -0.641 176.135 176.870 -0.157 0.000 1.012 884 L CA -1.151 53.614 54.840 -0.126 0.000 0.820 884 L CB 2.302 44.370 42.059 0.015 0.000 1.334 884 L HN 0.745 nan 8.230 nan 0.000 0.427 885 N N 0.950 119.585 118.700 -0.107 0.000 2.396 885 N HA 0.694 5.442 4.740 0.013 0.000 0.275 885 N C -1.261 174.260 175.510 0.019 0.000 1.218 885 N CA -0.528 52.494 53.050 -0.046 0.000 0.812 885 N CB 2.384 40.864 38.487 -0.013 0.000 1.592 885 N HN 0.886 nan 8.380 nan 0.000 0.480 886 C N -0.327 118.988 119.300 0.025 0.000 3.312 886 C HA 0.608 5.077 4.460 0.013 0.000 0.332 886 C C -1.244 173.518 174.990 -0.379 0.000 1.340 886 C CA -0.815 58.152 59.018 -0.084 0.000 1.265 886 C CB 1.046 28.775 27.740 -0.018 0.000 1.563 886 C HN 0.855 nan 8.230 nan 0.000 0.471 887 Q N 1.400 120.770 119.800 -0.716 0.000 2.368 887 Q HA 0.669 5.017 4.340 0.013 0.000 0.263 887 Q C -1.152 174.558 176.000 -0.483 0.000 1.009 887 Q CA -0.444 54.727 55.803 -1.054 0.000 0.818 887 Q CB 0.921 28.657 28.738 -1.669 0.000 1.239 887 Q HN 0.773 nan 8.270 nan 0.000 0.464 888 L N 2.656 123.700 121.223 -0.298 0.000 2.395 888 L HA 0.311 4.659 4.340 0.013 0.000 0.269 888 L C 1.279 178.097 176.870 -0.086 0.000 1.133 888 L CA -0.215 54.574 54.840 -0.086 0.000 0.812 888 L CB 0.862 42.979 42.059 0.096 0.000 1.125 888 L HN 0.835 nan 8.230 nan 0.000 0.452 889 A N 1.981 124.776 122.820 -0.042 0.000 1.972 889 A HA -0.148 4.180 4.320 0.013 0.000 0.219 889 A C 1.158 178.739 177.584 -0.005 0.000 1.169 889 A CA 0.857 52.865 52.037 -0.049 0.000 0.635 889 A CB -0.332 18.638 19.000 -0.050 0.000 0.810 889 A HN 0.796 nan 8.150 nan 0.000 0.446 890 Q N -0.237 119.602 119.800 0.065 0.000 2.340 890 Q HA 0.451 4.799 4.340 0.013 0.000 0.249 890 Q C -1.200 174.859 176.000 0.099 0.000 0.957 890 Q CA 0.105 55.942 55.803 0.057 0.000 0.882 890 Q CB 1.015 29.819 28.738 0.109 0.000 1.235 890 Q HN 0.132 nan 8.270 nan 0.000 0.439 891 V N 3.248 123.176 119.914 0.024 0.000 2.443 891 V HA 0.798 4.926 4.120 0.013 0.000 0.293 891 V C -0.701 175.363 176.094 -0.051 0.000 1.021 891 V CA -0.354 61.988 62.300 0.070 0.000 0.848 891 V CB 1.028 32.874 31.823 0.039 0.000 0.998 891 V HN 0.902 nan 8.190 nan 0.000 0.424 892 A N 2.966 125.700 122.820 -0.142 0.000 2.354 892 A HA 0.736 5.064 4.320 0.013 0.000 0.321 892 A C 0.864 178.438 177.584 -0.017 0.000 1.125 892 A CA -0.194 51.697 52.037 -0.243 0.000 0.799 892 A CB 1.584 20.210 19.000 -0.622 0.000 1.293 892 A HN 0.910 nan 8.150 nan 0.000 0.452 893 E N 0.527 120.717 120.200 -0.016 0.000 2.072 893 E HA -0.089 4.270 4.350 0.013 0.000 0.190 893 E C 0.323 176.988 176.600 0.108 0.000 0.982 893 E CA 0.820 57.248 56.400 0.048 0.000 0.803 893 E CB 0.087 29.802 29.700 0.025 0.000 0.755 893 E HN 0.544 nan 8.360 nan 0.000 0.453 894 R N 0.273 120.840 120.500 0.112 0.000 2.787 894 R HA 0.515 4.863 4.340 0.013 0.000 0.271 894 R C -0.952 175.524 176.300 0.293 0.000 0.993 894 R CA -0.962 55.240 56.100 0.171 0.000 0.993 894 R CB 1.872 32.246 30.300 0.123 0.000 1.155 894 R HN -0.040 nan 8.270 nan 0.000 0.486 895 V N 2.141 122.247 119.914 0.319 0.000 2.525 895 V HA 0.343 4.472 4.120 0.013 0.000 0.299 895 V C -0.349 176.024 176.094 0.466 0.000 1.034 895 V CA -0.930 61.603 62.300 0.388 0.000 0.863 895 V CB 1.773 33.772 31.823 0.292 0.000 0.999 895 V HN 0.707 nan 8.190 nan 0.000 0.423 896 N N 4.766 123.717 118.700 0.418 0.000 2.346 896 N HA 0.526 5.274 4.740 0.013 0.000 0.289 896 N C -1.358 174.405 175.510 0.422 0.000 1.027 896 N CA -0.424 52.834 53.050 0.346 0.000 0.864 896 N CB 2.717 41.297 38.487 0.153 0.000 1.370 896 N HN 0.798 nan 8.380 nan 0.000 0.481 897 W N 3.112 124.451 121.300 0.065 0.000 3.118 897 W HA 0.599 5.267 4.660 0.013 0.000 0.328 897 W C -1.983 174.498 176.519 -0.063 0.000 1.239 897 W CA -1.138 56.216 57.345 0.016 0.000 1.176 897 W CB 0.752 30.251 29.460 0.064 0.000 1.433 897 W HN 0.226 nan 8.180 nan 0.000 0.562 898 L N 4.047 125.231 121.223 -0.064 0.000 2.283 898 L HA 0.890 5.238 4.340 0.013 0.000 0.281 898 L C -0.001 176.659 176.870 -0.351 0.000 1.033 898 L CA 0.378 54.983 54.840 -0.390 0.000 0.848 898 L CB 0.479 42.383 42.059 -0.259 0.000 1.226 898 L HN 0.973 nan 8.230 nan 0.000 0.429 899 G N 3.637 112.115 108.800 -0.537 0.000 2.364 899 G HA2 0.220 4.188 3.960 0.013 0.000 0.286 899 G HA3 0.220 4.188 3.960 0.013 0.000 0.286 899 G C -1.607 173.334 174.900 0.069 0.000 1.241 899 G CA -1.009 44.003 45.100 -0.146 0.000 0.887 899 G HN 0.373 nan 8.290 nan 0.000 0.484 900 L N 1.095 122.500 121.223 0.304 0.000 2.349 900 L HA 0.630 4.978 4.340 0.013 0.000 0.275 900 L C 1.019 178.034 176.870 0.243 0.000 1.115 900 L CA 0.656 55.651 54.840 0.259 0.000 0.820 900 L CB 0.729 42.873 42.059 0.141 0.000 1.135 900 L HN 1.167 nan 8.230 nan 0.000 0.445 901 G N 2.806 111.529 108.800 -0.129 0.000 2.341 901 G HA2 0.236 4.204 3.960 0.013 0.000 0.299 901 G HA3 0.236 4.204 3.960 0.013 0.000 0.299 901 G C -2.767 171.356 174.900 -1.295 0.000 1.274 901 G CA -0.287 44.413 45.100 -0.668 0.000 0.853 901 G HN 0.309 nan 8.290 nan 0.000 0.493 902 P HA 0.087 nan 4.420 nan 0.000 0.230 902 P C 0.539 177.637 177.300 -0.336 0.000 1.168 902 P CA 0.634 63.102 63.100 -1.054 0.000 0.793 902 P CB 0.469 31.672 31.700 -0.829 0.000 0.851 903 Q N 0.421 120.023 119.800 -0.330 0.000 2.318 903 Q HA 0.144 4.492 4.340 0.013 0.000 0.222 903 Q C 0.387 176.275 176.000 -0.188 0.000 1.003 903 Q CA -0.611 55.075 55.803 -0.194 0.000 0.936 903 Q CB 0.630 29.277 28.738 -0.152 0.000 1.204 903 Q HN 0.126 nan 8.270 nan 0.000 0.524 904 E N 1.176 121.270 120.200 -0.175 0.000 2.502 904 E HA -0.115 4.243 4.350 0.013 0.000 0.261 904 E C -1.170 175.334 176.600 -0.159 0.000 0.974 904 E CA 0.296 56.573 56.400 -0.205 0.000 0.936 904 E CB 0.260 29.906 29.700 -0.090 0.000 0.926 904 E HN 0.580 nan 8.360 nan 0.000 0.459 905 N N 2.591 121.118 118.700 -0.288 0.000 2.308 905 N HA 0.327 5.075 4.740 0.013 0.000 0.283 905 N C -1.848 173.427 175.510 -0.392 0.000 1.105 905 N CA -0.689 52.249 53.050 -0.186 0.000 0.840 905 N CB 0.733 39.142 38.487 -0.129 0.000 1.633 905 N HN 0.252 nan 8.380 nan 0.000 0.476 906 Y N -0.022 120.192 120.300 -0.143 0.000 2.630 906 Y HA 0.503 5.061 4.550 0.013 0.000 0.337 906 Y C -1.630 174.204 175.900 -0.110 0.000 1.051 906 Y CA -2.075 55.925 58.100 -0.168 0.000 1.121 906 Y CB 1.905 40.258 38.460 -0.178 0.000 1.299 906 Y HN 0.443 nan 8.280 nan 0.000 0.498 907 P HA -0.176 nan 4.420 nan 0.000 0.216 907 P C 0.302 177.531 177.300 -0.118 0.000 1.150 907 P CA 2.110 65.276 63.100 0.109 0.000 0.843 907 P CB 0.206 32.076 31.700 0.284 0.000 0.787 908 D N -2.571 117.519 120.400 -0.516 0.000 2.363 908 D HA 0.026 4.674 4.640 0.013 0.000 0.214 908 D C 0.724 176.865 176.300 -0.265 0.000 1.093 908 D CA 0.032 53.483 54.000 -0.915 0.000 0.837 908 D CB -0.218 39.760 40.800 -1.369 0.000 0.948 908 D HN 0.106 nan 8.370 nan 0.000 0.507 909 R N 1.109 121.563 120.500 -0.076 0.000 2.638 909 R HA 0.204 4.553 4.340 0.013 0.000 0.261 909 R C -0.624 175.712 176.300 0.059 0.000 1.515 909 R CA -0.147 55.972 56.100 0.033 0.000 1.623 909 R CB 0.090 30.417 30.300 0.045 0.000 1.347 909 R HN 0.098 nan 8.270 nan 0.000 0.705 910 L N -1.978 119.288 121.223 0.071 0.000 3.410 910 L HA 0.328 4.676 4.340 0.013 0.000 0.309 910 L C 1.232 178.162 176.870 0.100 0.000 1.254 910 L CA 0.010 54.889 54.840 0.065 0.000 1.048 910 L CB 0.128 42.215 42.059 0.046 0.000 1.442 910 L HN 0.049 nan 8.230 nan 0.000 0.615 911 T N -2.835 111.805 114.554 0.143 0.000 2.915 911 T HA 0.055 4.413 4.350 0.013 0.000 0.269 911 T C 1.724 176.466 174.700 0.069 0.000 1.071 911 T CA 1.235 63.440 62.100 0.174 0.000 1.132 911 T CB -0.239 68.790 68.868 0.268 0.000 0.878 911 T HN 0.390 nan 8.240 nan 0.000 0.479 912 A N 1.422 124.294 122.820 0.086 0.000 2.072 912 A HA 0.686 5.014 4.320 0.013 0.000 0.216 912 A C 1.608 179.279 177.584 0.145 0.000 1.156 912 A CA 0.398 52.448 52.037 0.021 0.000 0.701 912 A CB -0.801 18.365 19.000 0.278 0.000 0.816 912 A HN 0.792 nan 8.150 nan 0.000 0.458 913 A N -1.032 121.823 122.820 0.058 0.000 2.386 913 A HA 0.451 4.779 4.320 0.013 0.000 0.248 913 A C 0.037 177.646 177.584 0.041 0.000 1.082 913 A CA -0.047 51.986 52.037 -0.007 0.000 0.789 913 A CB -0.107 18.882 19.000 -0.018 0.000 1.025 913 A HN 0.473 nan 8.150 nan 0.000 0.490 914 C N 0.350 119.673 119.300 0.039 0.000 2.529 914 C HA 0.570 5.038 4.460 0.013 0.000 0.329 914 C C -0.162 174.950 174.990 0.204 0.000 1.194 914 C CA -0.469 58.625 59.018 0.127 0.000 1.779 914 C CB 0.859 28.687 27.740 0.146 0.000 2.322 914 C HN 0.780 nan 8.230 nan 0.000 0.500 915 F N 3.520 123.302 119.950 -0.279 0.000 2.424 915 F HA 0.500 5.035 4.527 0.013 0.000 0.356 915 F C 0.349 175.783 175.800 -0.610 0.000 1.110 915 F CA 1.038 58.727 58.000 -0.518 0.000 1.161 915 F CB 0.027 38.171 39.000 -1.426 0.000 1.115 915 F HN 0.644 nan 8.300 nan 0.000 0.507 916 D N 3.219 122.991 120.400 -1.047 0.000 3.010 916 D HA 0.169 4.817 4.640 0.013 0.000 0.353 916 D C -1.672 173.699 176.300 -1.549 0.000 1.415 916 D CA -0.704 52.553 54.000 -1.239 0.000 0.864 916 D CB 1.511 41.536 40.800 -1.292 0.000 1.445 916 D HN 0.499 nan 8.370 nan 0.000 0.516 917 R N 0.653 120.339 120.500 -1.358 0.000 2.229 917 R HA 0.533 4.881 4.340 0.013 0.000 0.332 917 R C -1.466 174.112 176.300 -1.204 0.000 0.989 917 R CA -0.279 55.193 56.100 -1.047 0.000 0.842 917 R CB 0.359 30.300 30.300 -0.599 0.000 1.119 917 R HN 0.292 nan 8.270 nan 0.000 0.456 918 W N 2.275 123.005 121.300 -0.950 0.000 2.647 918 W HA 0.453 5.121 4.660 0.013 0.000 0.353 918 W C -0.432 175.679 176.519 -0.679 0.000 1.080 918 W CA -0.639 56.108 57.345 -0.997 0.000 1.208 918 W CB 1.708 30.033 29.460 -1.893 0.000 1.396 918 W HN 0.392 nan 8.180 nan 0.000 0.573 919 D N 2.193 122.550 120.400 -0.073 0.000 2.613 919 D HA 0.372 5.020 4.640 0.013 0.000 0.230 919 D C -1.556 174.845 176.300 0.168 0.000 1.365 919 D CA -0.125 53.931 54.000 0.094 0.000 0.976 919 D CB 0.951 41.765 40.800 0.024 0.000 1.415 919 D HN 0.333 nan 8.370 nan 0.000 0.589 920 L N 2.789 124.185 121.223 0.288 0.000 2.327 920 L HA 0.557 4.905 4.340 0.013 0.000 0.258 920 L C -2.318 174.667 176.870 0.191 0.000 1.024 920 L CA -2.242 52.731 54.840 0.221 0.000 0.825 920 L CB 2.592 44.825 42.059 0.289 0.000 1.386 920 L HN 0.163 nan 8.230 nan 0.000 0.417 921 P HA 0.020 nan 4.420 nan 0.000 0.268 921 P C 0.552 177.928 177.300 0.126 0.000 1.205 921 P CA -0.246 62.923 63.100 0.115 0.000 0.771 921 P CB 0.772 32.520 31.700 0.080 0.000 0.858 922 L N 3.881 125.185 121.223 0.136 0.000 2.051 922 L HA -0.287 4.061 4.340 0.013 0.000 0.214 922 L C 2.204 179.126 176.870 0.086 0.000 1.076 922 L CA 2.778 57.692 54.840 0.123 0.000 0.758 922 L CB -1.415 40.733 42.059 0.148 0.000 0.890 922 L HN 0.449 nan 8.230 nan 0.000 0.433 923 S N -1.798 113.952 115.700 0.084 0.000 2.419 923 S HA -0.197 4.281 4.470 0.013 0.000 0.235 923 S C 1.587 176.258 174.600 0.118 0.000 1.019 923 S CA 1.220 59.484 58.200 0.106 0.000 0.982 923 S CB -0.825 62.431 63.200 0.093 0.000 0.789 923 S HN 0.540 nan 8.310 nan 0.000 0.490 924 D N 0.990 121.435 120.400 0.074 0.000 2.371 924 D HA 0.102 4.750 4.640 0.013 0.000 0.221 924 D C 1.196 177.497 176.300 0.002 0.000 0.986 924 D CA 0.565 54.586 54.000 0.035 0.000 0.899 924 D CB -0.123 40.704 40.800 0.045 0.000 0.902 924 D HN 0.382 nan 8.370 nan 0.000 0.530 925 M N -0.530 119.082 119.600 0.020 0.000 2.495 925 M HA 0.059 4.547 4.480 0.013 0.000 0.237 925 M C 0.026 176.330 176.300 0.006 0.000 1.131 925 M CA -0.026 55.243 55.300 -0.052 0.000 1.032 925 M CB -0.682 31.879 32.600 -0.065 0.000 1.513 925 M HN -0.043 nan 8.290 nan 0.000 0.488 926 Y N -0.043 120.215 120.300 -0.070 0.000 2.429 926 Y HA 0.519 5.077 4.550 0.014 0.000 0.342 926 Y C -0.766 175.079 175.900 -0.092 0.000 1.004 926 Y CA -0.942 57.133 58.100 -0.041 0.000 1.075 926 Y CB 1.328 39.825 38.460 0.061 0.000 1.214 926 Y HN -0.132 nan 8.280 nan 0.000 0.455 927 T N 8.413 122.498 114.554 -0.781 0.000 2.770 927 T HA 0.301 4.660 4.350 0.013 0.000 0.283 927 T C -2.721 171.207 174.700 -1.287 0.000 0.988 927 T CA -1.536 60.029 62.100 -0.892 0.000 0.957 927 T CB 1.238 69.659 68.868 -0.745 0.000 0.930 927 T HN 0.461 nan 8.240 nan 0.000 0.443 928 P HA 0.145 nan 4.420 nan 0.000 0.218 928 P C -0.645 176.486 177.300 -0.282 0.000 1.793 928 P CA -0.486 62.181 63.100 -0.721 0.000 0.941 928 P CB -0.761 30.645 31.700 -0.491 0.000 1.919 929 Y N -0.222 120.018 120.300 -0.099 0.000 2.717 929 Y HA -0.108 4.450 4.550 0.013 0.000 0.330 929 Y C 2.255 178.212 175.900 0.095 0.000 1.217 929 Y CA -0.386 57.719 58.100 0.010 0.000 1.506 929 Y CB 0.506 38.918 38.460 -0.080 0.000 1.268 929 Y HN -0.065 nan 8.280 nan 0.000 0.561 930 V N 4.016 124.153 119.914 0.372 0.000 2.343 930 V HA -0.293 3.836 4.120 0.013 0.000 0.247 930 V C 0.488 176.772 176.094 0.316 0.000 1.051 930 V CA 1.377 63.878 62.300 0.335 0.000 1.036 930 V CB -0.499 31.559 31.823 0.391 0.000 0.654 930 V HN 0.582 nan 8.190 nan 0.000 0.451 931 F N 3.010 123.027 119.950 0.112 0.000 2.371 931 F HA 0.526 5.061 4.527 0.014 0.000 0.363 931 F C -2.523 173.305 175.800 0.047 0.000 1.122 931 F CA -3.410 54.609 58.000 0.032 0.000 1.129 931 F CB 0.840 39.768 39.000 -0.120 0.000 1.173 931 F HN -0.020 nan 8.300 nan 0.000 0.489 932 P HA 0.245 nan 4.420 nan 0.000 0.271 932 P C -1.079 175.907 177.300 -0.524 0.000 1.216 932 P CA 0.068 62.915 63.100 -0.422 0.000 0.776 932 P CB 1.246 32.727 31.700 -0.365 0.000 0.881 933 S N 0.116 115.718 115.700 -0.164 0.000 2.661 933 S HA 0.450 4.928 4.470 0.013 0.000 0.268 933 S C -0.811 173.792 174.600 0.006 0.000 1.162 933 S CA -0.958 57.192 58.200 -0.083 0.000 0.817 933 S CB 0.544 63.733 63.200 -0.019 0.000 1.141 933 S HN 0.335 nan 8.310 nan 0.000 0.477 934 E N 1.096 121.310 120.200 0.024 0.000 2.568 934 E HA 0.329 4.687 4.350 0.013 0.000 0.262 934 E C -0.150 176.515 176.600 0.109 0.000 0.961 934 E CA 0.922 57.363 56.400 0.068 0.000 0.945 934 E CB -0.193 29.571 29.700 0.107 0.000 0.924 934 E HN 0.817 nan 8.360 nan 0.000 0.467 935 N N 1.278 120.074 118.700 0.161 0.000 3.046 935 N HA 0.485 5.234 4.740 0.013 0.000 0.243 935 N C 0.193 175.767 175.510 0.106 0.000 1.452 935 N CA -0.557 52.626 53.050 0.223 0.000 0.882 935 N CB 0.901 39.513 38.487 0.208 0.000 1.425 935 N HN 0.751 nan 8.380 nan 0.000 0.517 936 G N -1.296 107.524 108.800 0.033 0.000 2.184 936 G HA2 -0.269 3.699 3.960 0.013 0.000 0.264 936 G HA3 -0.269 3.699 3.960 0.013 0.000 0.264 936 G C -0.167 174.480 174.900 -0.422 0.000 0.975 936 G CA 0.398 45.395 45.100 -0.171 0.000 0.642 936 G HN 0.710 nan 8.290 nan 0.000 0.536 937 L N 0.142 121.049 121.223 -0.526 0.000 2.506 937 L HA 0.602 4.950 4.340 0.013 0.000 0.281 937 L C 0.727 177.015 176.870 -0.971 0.000 1.228 937 L CA 0.626 54.915 54.840 -0.919 0.000 0.850 937 L CB 0.488 41.687 42.059 -1.433 0.000 1.110 937 L HN 0.283 nan 8.230 nan 0.000 0.496 938 R N 2.457 122.297 120.500 -1.100 0.000 2.532 938 R HA 0.495 4.843 4.340 0.013 0.000 0.297 938 R C -0.948 175.014 176.300 -0.564 0.000 0.984 938 R CA -0.291 55.298 56.100 -0.851 0.000 0.884 938 R CB 1.402 31.065 30.300 -1.062 0.000 1.182 938 R HN 0.708 nan 8.270 nan 0.000 0.442 939 C N 0.312 119.428 119.300 -0.307 0.000 2.484 939 C HA 0.714 5.182 4.460 0.013 0.000 0.409 939 C C 1.248 176.225 174.990 -0.022 0.000 1.434 939 C CA 0.030 58.946 59.018 -0.171 0.000 1.913 939 C CB 1.296 28.960 27.740 -0.126 0.000 2.028 939 C HN 1.023 nan 8.230 nan 0.000 0.516 940 G N 1.684 110.483 108.800 -0.002 0.000 2.356 940 G HA2 -0.184 3.784 3.960 0.013 0.000 0.296 940 G HA3 -0.184 3.784 3.960 0.013 0.000 0.296 940 G C -0.067 174.895 174.900 0.104 0.000 1.022 940 G CA 0.618 45.767 45.100 0.081 0.000 0.961 940 G HN 0.785 nan 8.290 nan 0.000 0.510 941 T N -0.085 114.407 114.554 -0.103 0.000 2.799 941 T HA 0.534 4.892 4.350 0.013 0.000 0.286 941 T C 1.290 175.692 174.700 -0.495 0.000 0.973 941 T CA -0.630 61.349 62.100 -0.202 0.000 1.035 941 T CB 1.366 70.177 68.868 -0.094 0.000 0.932 941 T HN 0.214 nan 8.240 nan 0.000 0.469 942 R N 1.460 121.860 120.500 -0.168 0.000 2.307 942 R HA 0.304 4.652 4.340 0.013 0.000 0.200 942 R C 0.480 176.776 176.300 -0.007 0.000 0.893 942 R CA 0.157 56.215 56.100 -0.071 0.000 1.042 942 R CB 0.358 30.753 30.300 0.159 0.000 1.059 942 R HN 0.718 nan 8.270 nan 0.000 0.530 943 E N 0.416 120.623 120.200 0.011 0.000 2.354 943 E HA 0.316 4.674 4.350 0.013 0.000 0.283 943 E C -1.861 174.865 176.600 0.210 0.000 0.938 943 E CA -0.657 55.844 56.400 0.167 0.000 0.777 943 E CB 1.530 31.300 29.700 0.116 0.000 1.222 943 E HN -0.072 nan 8.360 nan 0.000 0.423 944 L N 4.007 125.427 121.223 0.329 0.000 2.385 944 L HA 0.600 4.948 4.340 0.013 0.000 0.273 944 L C -1.776 175.285 176.870 0.318 0.000 0.990 944 L CA -0.373 54.605 54.840 0.230 0.000 0.821 944 L CB 1.732 43.776 42.059 -0.025 0.000 1.279 944 L HN 0.470 nan 8.230 nan 0.000 0.412 945 N N 4.467 123.327 118.700 0.267 0.000 2.314 945 N HA 0.406 5.154 4.740 0.013 0.000 0.294 945 N C -1.949 173.786 175.510 0.375 0.000 1.029 945 N CA -0.276 52.931 53.050 0.260 0.000 0.845 945 N CB 2.195 40.776 38.487 0.158 0.000 1.321 945 N HN 0.612 nan 8.380 nan 0.000 0.481 946 Y N 1.096 121.529 120.300 0.222 0.000 2.298 946 Y HA 0.382 4.940 4.550 0.014 0.000 0.322 946 Y C 0.567 176.567 175.900 0.166 0.000 1.138 946 Y CA 0.170 58.402 58.100 0.220 0.000 1.127 946 Y CB 0.470 39.121 38.460 0.318 0.000 1.178 946 Y HN 0.870 nan 8.280 nan 0.000 0.428 947 G N 6.391 115.011 108.800 -0.301 0.000 2.583 947 G HA2 -0.302 3.666 3.960 0.013 0.000 0.292 947 G HA3 -0.302 3.666 3.960 0.013 0.000 0.292 947 G C -1.644 173.125 174.900 -0.219 0.000 1.203 947 G CA 0.091 44.995 45.100 -0.328 0.000 0.987 947 G HN 0.576 nan 8.290 nan 0.000 0.554 948 P HA 0.124 nan 4.420 nan 0.000 0.236 948 P C 0.331 177.434 177.300 -0.328 0.000 1.177 948 P CA 0.921 63.820 63.100 -0.335 0.000 0.773 948 P CB -0.025 31.398 31.700 -0.462 0.000 0.878 949 H N 0.227 119.230 119.070 -0.111 0.000 2.482 949 H HA 0.466 5.030 4.556 0.014 0.000 0.344 949 H C -0.040 174.981 175.328 -0.512 0.000 1.151 949 H CA -0.053 55.800 56.048 -0.325 0.000 1.300 949 H CB 1.507 30.908 29.762 -0.601 0.000 1.494 949 H HN 0.074 nan 8.280 nan 0.000 0.542 950 Q N 2.031 121.517 119.800 -0.522 0.000 2.305 950 Q HA 0.232 4.580 4.340 0.013 0.000 0.271 950 Q C -1.595 174.084 176.000 -0.536 0.000 1.046 950 Q CA -0.701 54.890 55.803 -0.354 0.000 0.798 950 Q CB 2.064 30.763 28.738 -0.064 0.000 1.286 950 Q HN 0.583 nan 8.270 nan 0.000 0.435 951 W N 3.869 125.108 121.300 -0.101 0.000 2.632 951 W HA 0.588 5.256 4.660 0.014 0.000 0.328 951 W C -0.226 176.383 176.519 0.149 0.000 1.044 951 W CA -0.786 56.481 57.345 -0.129 0.000 1.225 951 W CB 1.867 31.040 29.460 -0.478 0.000 1.396 951 W HN 0.492 nan 8.180 nan 0.000 0.499 952 R N 0.856 121.607 120.500 0.418 0.000 2.686 952 R HA 0.770 5.119 4.340 0.013 0.000 0.283 952 R C 0.160 176.732 176.300 0.454 0.000 0.978 952 R CA -0.500 55.849 56.100 0.416 0.000 0.897 952 R CB 2.412 32.862 30.300 0.251 0.000 1.192 952 R HN 0.757 nan 8.270 nan 0.000 0.457 953 G N 0.758 109.811 108.800 0.421 0.000 2.566 953 G HA2 0.032 4.000 3.960 0.013 0.000 0.138 953 G HA3 0.032 4.000 3.960 0.013 0.000 0.138 953 G C -1.758 173.247 174.900 0.174 0.000 1.133 953 G CA -0.314 44.997 45.100 0.352 0.000 1.037 953 G HN 0.480 nan 8.290 nan 0.000 0.491 954 D N 0.086 120.583 120.400 0.162 0.000 2.381 954 D HA 0.576 5.224 4.640 0.013 0.000 0.245 954 D C -0.754 175.537 176.300 -0.015 0.000 1.297 954 D CA -0.493 53.500 54.000 -0.013 0.000 0.931 954 D CB 0.178 41.014 40.800 0.060 0.000 1.334 954 D HN 0.498 nan 8.370 nan 0.000 0.535 955 F N -0.202 119.739 119.950 -0.014 0.000 2.706 955 F HA 0.741 5.277 4.527 0.014 0.000 0.328 955 F C -0.884 174.873 175.800 -0.071 0.000 1.123 955 F CA -1.016 56.915 58.000 -0.116 0.000 0.978 955 F CB 0.773 39.706 39.000 -0.111 0.000 1.404 955 F HN -0.160 nan 8.300 nan 0.000 0.497 956 Q N 1.541 121.435 119.800 0.157 0.000 2.345 956 Q HA 0.650 4.998 4.340 0.013 0.000 0.268 956 Q C -1.320 174.767 176.000 0.145 0.000 1.054 956 Q CA -0.537 55.275 55.803 0.015 0.000 0.835 956 Q CB 2.743 31.381 28.738 -0.168 0.000 1.339 956 Q HN 0.873 nan 8.270 nan 0.000 0.447 957 F N -1.045 118.809 119.950 -0.159 0.000 2.693 957 F HA 0.721 5.256 4.527 0.014 0.000 0.309 957 F C -1.602 173.996 175.800 -0.337 0.000 1.129 957 F CA -1.071 56.785 58.000 -0.241 0.000 0.948 957 F CB 1.471 40.340 39.000 -0.219 0.000 1.315 957 F HN 0.575 nan 8.300 nan 0.000 0.447 958 N N 2.000 120.536 118.700 -0.274 0.000 2.321 958 N HA 0.775 5.523 4.740 0.013 0.000 0.290 958 N C -2.037 173.418 175.510 -0.092 0.000 1.212 958 N CA -0.808 52.053 53.050 -0.314 0.000 0.767 958 N CB 2.723 41.045 38.487 -0.276 0.000 1.494 958 N HN 1.108 nan 8.380 nan 0.000 0.479 959 I N 0.189 120.697 120.570 -0.103 0.000 2.680 959 I HA 0.623 4.802 4.170 0.013 0.000 0.291 959 I C -1.490 174.557 176.117 -0.118 0.000 1.244 959 I CA 0.023 61.236 61.300 -0.146 0.000 1.042 959 I CB 1.392 39.236 38.000 -0.259 0.000 1.277 959 I HN 1.064 nan 8.210 nan 0.000 0.423 960 S N 6.273 121.917 115.700 -0.095 0.000 2.655 960 S HA 0.505 4.983 4.470 0.013 0.000 0.266 960 S C -0.280 174.228 174.600 -0.154 0.000 1.149 960 S CA -0.936 57.201 58.200 -0.105 0.000 0.818 960 S CB 1.715 64.910 63.200 -0.009 0.000 1.130 960 S HN 0.617 nan 8.310 nan 0.000 0.476 961 R N -0.075 120.168 120.500 -0.427 0.000 2.335 961 R HA 0.293 4.641 4.340 0.013 0.000 0.223 961 R C -0.940 175.045 176.300 -0.526 0.000 0.940 961 R CA 0.293 56.105 56.100 -0.480 0.000 1.086 961 R CB -1.180 28.686 30.300 -0.722 0.000 1.073 961 R HN 0.660 nan 8.270 nan 0.000 0.504 962 Y N -0.331 119.943 120.300 -0.043 0.000 2.391 962 Y HA 0.237 4.795 4.550 0.014 0.000 0.341 962 Y C 0.646 176.335 175.900 -0.351 0.000 0.965 962 Y CA -1.163 56.828 58.100 -0.181 0.000 1.067 962 Y CB 1.439 39.727 38.460 -0.287 0.000 1.199 962 Y HN -0.116 nan 8.280 nan 0.000 0.450 963 S N 1.377 116.736 115.700 -0.569 0.000 2.614 963 S HA 0.077 4.555 4.470 0.013 0.000 0.265 963 S C 0.867 175.138 174.600 -0.549 0.000 1.303 963 S CA -0.765 56.760 58.200 -1.126 0.000 1.000 963 S CB 1.148 63.494 63.200 -1.424 0.000 0.935 963 S HN 0.724 nan 8.310 nan 0.000 0.551 964 Q N 0.608 120.097 119.800 -0.519 0.000 2.084 964 Q HA -0.193 4.155 4.340 0.013 0.000 0.202 964 Q C 2.226 178.085 176.000 -0.236 0.000 0.978 964 Q CA 1.787 57.427 55.803 -0.273 0.000 0.844 964 Q CB -0.591 28.025 28.738 -0.203 0.000 0.898 964 Q HN 0.942 nan 8.270 nan 0.000 0.426 965 Q N 0.522 120.147 119.800 -0.292 0.000 2.096 965 Q HA -0.217 4.132 4.340 0.013 0.000 0.204 965 Q C 2.129 178.014 176.000 -0.191 0.000 0.982 965 Q CA 1.447 57.133 55.803 -0.196 0.000 0.850 965 Q CB 0.049 28.681 28.738 -0.177 0.000 0.901 965 Q HN 0.397 nan 8.270 nan 0.000 0.422 966 Q N -0.053 119.601 119.800 -0.242 0.000 2.084 966 Q HA -0.168 4.180 4.340 0.013 0.000 0.202 966 Q C 2.225 178.084 176.000 -0.235 0.000 0.978 966 Q CA 1.269 56.936 55.803 -0.226 0.000 0.844 966 Q CB -0.046 28.539 28.738 -0.255 0.000 0.898 966 Q HN 0.450 nan 8.270 nan 0.000 0.426 967 L N -0.105 120.979 121.223 -0.231 0.000 2.042 967 L HA -0.221 4.127 4.340 0.013 0.000 0.210 967 L C 2.621 179.351 176.870 -0.233 0.000 1.076 967 L CA 1.163 55.864 54.840 -0.233 0.000 0.749 967 L CB -0.343 41.616 42.059 -0.166 0.000 0.893 967 L HN 0.359 nan 8.230 nan 0.000 0.432 968 M N -0.721 118.774 119.600 -0.176 0.000 2.394 968 M HA -0.152 4.337 4.480 0.013 0.000 0.264 968 M C 1.509 177.730 176.300 -0.133 0.000 1.073 968 M CA 1.498 56.710 55.300 -0.146 0.000 1.111 968 M CB 0.117 32.643 32.600 -0.123 0.000 1.401 968 M HN 0.225 nan 8.290 nan 0.000 0.448 969 E N -1.017 119.101 120.200 -0.137 0.000 2.474 969 E HA 0.062 4.420 4.350 0.013 0.000 0.195 969 E C -0.330 176.211 176.600 -0.097 0.000 1.039 969 E CA 0.107 56.450 56.400 -0.095 0.000 0.881 969 E CB 0.580 30.232 29.700 -0.082 0.000 0.970 969 E HN 0.254 nan 8.360 nan 0.000 0.486 970 T N 0.363 114.819 114.554 -0.163 0.000 2.779 970 T HA 0.105 4.463 4.350 0.013 0.000 0.280 970 T C 0.953 175.545 174.700 -0.181 0.000 0.987 970 T CA -0.472 61.530 62.100 -0.164 0.000 0.966 970 T CB 1.660 70.385 68.868 -0.238 0.000 0.933 970 T HN 0.016 nan 8.240 nan 0.000 0.442 971 S N 1.829 117.526 115.700 -0.005 0.000 2.503 971 S HA 0.102 4.580 4.470 0.013 0.000 0.217 971 S C 0.241 174.954 174.600 0.188 0.000 0.999 971 S CA 0.176 58.473 58.200 0.161 0.000 0.914 971 S CB -0.184 63.263 63.200 0.412 0.000 0.782 971 S HN 0.717 nan 8.310 nan 0.000 0.520 972 H N 0.967 120.034 119.070 -0.005 0.000 2.667 972 H HA 0.495 5.060 4.556 0.014 0.000 0.353 972 H C 1.005 176.281 175.328 -0.087 0.000 1.072 972 H CA -0.740 55.347 56.048 0.067 0.000 1.214 972 H CB 1.569 31.350 29.762 0.033 0.000 1.600 972 H HN 0.159 nan 8.280 nan 0.000 0.527 973 R N 2.234 122.820 120.500 0.143 0.000 2.117 973 R HA -0.216 4.132 4.340 0.013 0.000 0.243 973 R C 1.290 177.577 176.300 -0.021 0.000 1.143 973 R CA 2.086 58.207 56.100 0.034 0.000 0.968 973 R CB -0.579 29.783 30.300 0.104 0.000 0.863 973 R HN 0.788 nan 8.270 nan 0.000 0.444 974 H N 1.025 120.100 119.070 0.007 0.000 2.543 974 H HA -0.006 4.559 4.556 0.013 0.000 0.286 974 H C 1.554 176.802 175.328 -0.134 0.000 1.037 974 H CA 1.025 57.037 56.048 -0.059 0.000 1.250 974 H CB -0.173 29.544 29.762 -0.075 0.000 1.373 974 H HN 0.346 nan 8.280 nan 0.000 0.580 975 L N 0.808 121.630 121.223 -0.669 0.000 2.567 975 L HA 0.189 4.537 4.340 0.013 0.000 0.225 975 L C 0.832 177.539 176.870 -0.273 0.000 1.119 975 L CA -0.149 54.382 54.840 -0.516 0.000 0.871 975 L CB 0.084 41.797 42.059 -0.577 0.000 1.036 975 L HN 0.048 nan 8.230 nan 0.000 0.459 976 L N 1.154 122.196 121.223 -0.303 0.000 2.461 976 L HA 0.075 4.423 4.340 0.013 0.000 0.272 976 L C 0.202 177.004 176.870 -0.113 0.000 1.197 976 L CA 0.128 54.736 54.840 -0.386 0.000 0.836 976 L CB 0.165 41.747 42.059 -0.794 0.000 1.105 976 L HN 0.232 nan 8.230 nan 0.000 0.477 977 H N 1.454 120.565 119.070 0.068 0.000 2.600 977 H HA 0.607 5.171 4.556 0.014 0.000 0.357 977 H C -0.714 174.738 175.328 0.208 0.000 1.106 977 H CA -1.270 54.852 56.048 0.123 0.000 1.193 977 H CB 1.350 31.131 29.762 0.031 0.000 1.594 977 H HN 0.681 nan 8.280 nan 0.000 0.526 978 A N 3.483 126.447 122.820 0.239 0.000 2.520 978 A HA 0.082 4.410 4.320 0.013 0.000 0.245 978 A C 0.342 177.979 177.584 0.089 0.000 1.072 978 A CA -0.160 51.851 52.037 -0.044 0.000 0.761 978 A CB -0.050 18.895 19.000 -0.092 0.000 1.004 978 A HN 0.845 nan 8.150 nan 0.000 0.499 979 E N 1.089 121.328 120.200 0.066 0.000 2.359 979 E HA 0.224 4.582 4.350 0.013 0.000 0.255 979 E C -0.067 176.577 176.600 0.073 0.000 1.191 979 E CA -0.724 55.778 56.400 0.169 0.000 0.952 979 E CB 0.657 30.541 29.700 0.307 0.000 1.152 979 E HN 0.794 nan 8.360 nan 0.000 0.496 980 E N 0.056 120.294 120.200 0.063 0.000 2.398 980 E HA 0.201 4.559 4.350 0.013 0.000 0.263 980 E C 0.299 176.872 176.600 -0.045 0.000 1.046 980 E CA 0.606 57.007 56.400 0.002 0.000 0.908 980 E CB 0.433 30.128 29.700 -0.007 0.000 0.963 980 E HN 0.662 nan 8.360 nan 0.000 0.431 981 G N 2.376 111.147 108.800 -0.048 0.000 2.697 981 G HA2 -0.234 3.734 3.960 0.013 0.000 0.240 981 G HA3 -0.234 3.734 3.960 0.013 0.000 0.240 981 G C -0.617 174.232 174.900 -0.084 0.000 1.346 981 G CA -0.167 44.889 45.100 -0.074 0.000 0.887 981 G HN 0.579 nan 8.290 nan 0.000 0.569 982 T N 0.267 114.751 114.554 -0.118 0.000 2.812 982 T HA 0.499 4.857 4.350 0.013 0.000 0.282 982 T C -0.652 173.895 174.700 -0.255 0.000 0.990 982 T CA -0.129 61.904 62.100 -0.111 0.000 0.960 982 T CB 1.300 70.181 68.868 0.023 0.000 0.948 982 T HN 0.548 nan 8.240 nan 0.000 0.438 983 W N 3.271 124.483 121.300 -0.146 0.000 2.335 983 W HA 0.576 5.244 4.660 0.014 0.000 0.306 983 W C -0.282 176.111 176.519 -0.211 0.000 1.216 983 W CA -0.715 56.541 57.345 -0.148 0.000 1.237 983 W CB 0.718 30.104 29.460 -0.122 0.000 1.243 983 W HN 0.380 nan 8.180 nan 0.000 0.493 984 L N 5.916 127.126 121.223 -0.022 0.000 2.325 984 L HA 0.477 4.825 4.340 0.013 0.000 0.281 984 L C -0.842 175.935 176.870 -0.154 0.000 1.004 984 L CA -0.388 54.325 54.840 -0.212 0.000 0.823 984 L CB 0.619 42.398 42.059 -0.468 0.000 1.236 984 L HN 0.305 nan 8.230 nan 0.000 0.415 985 N N 7.075 125.682 118.700 -0.155 0.000 2.444 985 N HA 0.443 5.191 4.740 0.013 0.000 0.262 985 N C -1.168 174.207 175.510 -0.226 0.000 0.974 985 N CA -0.295 52.660 53.050 -0.157 0.000 0.933 985 N CB 2.197 40.619 38.487 -0.108 0.000 1.137 985 N HN 0.512 nan 8.380 nan 0.000 0.498 986 I N 2.226 122.617 120.570 -0.298 0.000 2.410 986 I HA 0.244 4.422 4.170 0.013 0.000 0.286 986 I C -0.674 175.260 176.117 -0.305 0.000 1.009 986 I CA -0.485 60.595 61.300 -0.367 0.000 1.111 986 I CB 1.719 39.310 38.000 -0.682 0.000 1.262 986 I HN 0.211 nan 8.210 nan 0.000 0.443 987 D N 4.300 124.560 120.400 -0.233 0.000 2.248 987 D HA 0.335 4.983 4.640 0.013 0.000 0.246 987 D C 0.982 176.987 176.300 -0.491 0.000 1.027 987 D CA -0.278 53.515 54.000 -0.344 0.000 0.853 987 D CB 2.570 43.261 40.800 -0.181 0.000 1.243 987 D HN 0.684 nan 8.370 nan 0.000 0.462 988 G N 0.579 108.790 108.800 -0.982 0.000 2.453 988 G HA2 0.047 4.015 3.960 0.013 0.000 0.215 988 G HA3 0.047 4.015 3.960 0.013 0.000 0.215 988 G C 0.044 174.227 174.900 -1.195 0.000 1.147 988 G CA 0.459 44.867 45.100 -1.153 0.000 0.802 988 G HN 0.352 nan 8.290 nan 0.000 0.535 989 F N -2.000 117.742 119.950 -0.347 0.000 2.619 989 F HA 0.592 5.127 4.527 0.013 0.000 0.308 989 F C -0.616 175.085 175.800 -0.166 0.000 1.097 989 F CA -1.190 56.691 58.000 -0.197 0.000 0.953 989 F CB 2.117 40.925 39.000 -0.321 0.000 1.287 989 F HN 0.032 nan 8.300 nan 0.000 0.446 990 H N 1.816 120.890 119.070 0.006 0.000 2.865 990 H HA 0.518 5.082 4.556 0.013 0.000 0.362 990 H C -0.854 174.499 175.328 0.043 0.000 1.114 990 H CA -0.853 55.178 56.048 -0.028 0.000 1.208 990 H CB 1.809 31.549 29.762 -0.036 0.000 1.727 990 H HN 0.782 nan 8.280 nan 0.000 0.534 991 M N 3.445 123.018 119.600 -0.045 0.000 2.245 991 M HA 0.276 4.764 4.480 0.013 0.000 0.330 991 M C 0.509 176.940 176.300 0.218 0.000 1.098 991 M CA 0.417 55.755 55.300 0.062 0.000 1.172 991 M CB 0.352 32.883 32.600 -0.115 0.000 1.467 991 M HN 0.838 nan 8.290 nan 0.000 0.454 992 G N 2.716 111.622 108.800 0.176 0.000 2.699 992 G HA2 0.276 4.244 3.960 0.013 0.000 0.246 992 G HA3 0.276 4.244 3.960 0.013 0.000 0.246 992 G C 0.621 175.518 174.900 -0.005 0.000 1.219 992 G CA -0.378 44.757 45.100 0.058 0.000 0.866 992 G HN 0.972 nan 8.290 nan 0.000 0.572 993 I N -1.544 118.969 120.570 -0.095 0.000 3.645 993 I HA 0.388 4.566 4.170 0.013 0.000 0.300 993 I C 1.259 177.323 176.117 -0.088 0.000 1.260 993 I CA 0.427 61.635 61.300 -0.154 0.000 1.365 993 I CB -0.674 37.133 38.000 -0.321 0.000 1.077 993 I HN 0.920 nan 8.210 nan 0.000 0.439 994 G N 1.556 110.322 108.800 -0.056 0.000 2.645 994 G HA2 0.018 3.986 3.960 0.013 0.000 0.246 994 G HA3 0.018 3.986 3.960 0.013 0.000 0.246 994 G C 0.555 175.461 174.900 0.011 0.000 1.322 994 G CA 0.168 45.271 45.100 0.005 0.000 0.898 994 G HN 1.323 nan 8.290 nan 0.000 0.573 995 G N -2.508 106.313 108.800 0.035 0.000 2.613 995 G HA2 0.000 3.968 3.960 0.013 0.000 0.199 995 G HA3 0.000 3.968 3.960 0.013 0.000 0.199 995 G C 0.707 175.664 174.900 0.096 0.000 0.991 995 G CA 0.907 46.039 45.100 0.052 0.000 0.756 995 G HN 0.981 nan 8.290 nan 0.000 0.515 996 D N 1.278 121.756 120.400 0.129 0.000 2.172 996 D HA 0.046 4.694 4.640 0.013 0.000 0.196 996 D C 1.007 177.337 176.300 0.050 0.000 0.999 996 D CA 2.143 56.276 54.000 0.221 0.000 0.856 996 D CB 0.077 41.022 40.800 0.242 0.000 0.934 996 D HN 0.823 nan 8.370 nan 0.000 0.453 997 D N -3.418 116.816 120.400 -0.277 0.000 2.615 997 D HA 0.359 5.007 4.640 0.013 0.000 0.267 997 D C -0.770 175.102 176.300 -0.714 0.000 1.236 997 D CA -0.746 52.693 54.000 -0.935 0.000 0.839 997 D CB 1.083 40.794 40.800 -1.814 0.000 1.380 997 D HN -0.307 nan 8.370 nan 0.000 0.433 998 S N -0.324 114.896 115.700 -0.799 0.000 2.664 998 S HA 0.234 4.712 4.470 0.013 0.000 0.245 998 S C -0.705 173.950 174.600 0.091 0.000 1.019 998 S CA -0.700 57.441 58.200 -0.099 0.000 0.996 998 S CB -0.461 62.913 63.200 0.290 0.000 0.878 998 S HN 0.612 nan 8.310 nan 0.000 0.493 999 W N 1.211 122.431 121.300 -0.133 0.000 1.832 999 W HA 0.612 5.280 4.660 0.013 0.000 0.297 999 W C -0.136 176.311 176.519 -0.120 0.000 0.891 999 W CA -0.658 56.592 57.345 -0.159 0.000 2.000 999 W CB -0.524 28.784 29.460 -0.253 0.000 1.081 999 W HN 0.149 nan 8.180 nan 0.000 0.499 1000 S N -1.241 114.356 115.700 -0.171 0.000 2.578 1000 S HA 0.586 5.064 4.470 0.013 0.000 0.272 1000 S C -3.233 171.296 174.600 -0.118 0.000 1.145 1000 S CA -1.435 56.690 58.200 -0.126 0.000 0.835 1000 S CB 1.409 64.533 63.200 -0.127 0.000 1.104 1000 S HN -0.182 nan 8.310 nan 0.000 0.458 1001 P HA 0.267 nan 4.420 nan 0.000 0.267 1001 P C 0.302 177.630 177.300 0.047 0.000 1.209 1001 P CA -0.067 63.018 63.100 -0.024 0.000 0.763 1001 P CB 0.817 32.373 31.700 -0.240 0.000 0.816 1002 S N 0.702 116.486 115.700 0.139 0.000 2.960 1002 S HA 0.167 4.645 4.470 0.013 0.000 0.256 1002 S C 0.054 174.743 174.600 0.148 0.000 1.017 1002 S CA -0.346 57.909 58.200 0.091 0.000 1.144 1002 S CB -0.345 62.853 63.200 -0.004 0.000 1.109 1002 S HN 0.103 nan 8.310 nan 0.000 0.638 1003 V N 2.566 122.621 119.914 0.235 0.000 2.461 1003 V HA 0.454 4.582 4.120 0.013 0.000 0.275 1003 V C 0.804 177.055 176.094 0.263 0.000 1.047 1003 V CA -0.406 62.018 62.300 0.207 0.000 0.955 1003 V CB 1.261 33.162 31.823 0.130 0.000 0.988 1003 V HN 0.517 nan 8.190 nan 0.000 0.471 1004 S N 3.675 119.542 115.700 0.278 0.000 2.560 1004 S HA 0.254 4.732 4.470 0.013 0.000 0.284 1004 S C 1.527 176.282 174.600 0.260 0.000 1.327 1004 S CA 0.098 58.460 58.200 0.271 0.000 1.055 1004 S CB 1.066 64.462 63.200 0.327 0.000 0.868 1004 S HN 1.005 nan 8.310 nan 0.000 0.506 1005 A N 3.779 126.707 122.820 0.180 0.000 1.948 1005 A HA -0.153 4.176 4.320 0.013 0.000 0.220 1005 A C 2.011 179.647 177.584 0.086 0.000 1.177 1005 A CA 1.850 53.982 52.037 0.159 0.000 0.636 1005 A CB -0.627 18.439 19.000 0.111 0.000 0.815 1005 A HN 0.957 nan 8.150 nan 0.000 0.449 1006 E N -0.832 119.362 120.200 -0.010 0.000 2.409 1006 E HA -0.124 4.234 4.350 0.013 0.000 0.198 1006 E C 0.771 177.167 176.600 -0.340 0.000 1.024 1006 E CA 0.758 57.035 56.400 -0.206 0.000 0.861 1006 E CB -0.473 29.011 29.700 -0.360 0.000 0.788 1006 E HN 0.680 nan 8.360 nan 0.000 0.521 1007 F N 1.126 121.134 119.950 0.097 0.000 2.653 1007 F HA 0.260 4.795 4.527 0.013 0.000 0.304 1007 F C 0.926 176.771 175.800 0.076 0.000 1.092 1007 F CA -0.456 57.602 58.000 0.095 0.000 1.279 1007 F CB 0.475 39.532 39.000 0.095 0.000 1.044 1007 F HN -0.193 nan 8.300 nan 0.000 0.564 1008 Q N 1.375 121.293 119.800 0.197 0.000 2.259 1008 Q HA 0.349 4.697 4.340 0.013 0.000 0.249 1008 Q C -0.149 175.885 176.000 0.058 0.000 0.914 1008 Q CA -0.351 55.545 55.803 0.156 0.000 0.904 1008 Q CB 1.615 30.553 28.738 0.334 0.000 1.213 1008 Q HN 0.252 nan 8.270 nan 0.000 0.428 1009 L N 2.611 123.847 121.223 0.021 0.000 2.399 1009 L HA 0.115 4.463 4.340 0.013 0.000 0.257 1009 L C 0.581 177.402 176.870 -0.083 0.000 1.236 1009 L CA -0.044 54.793 54.840 -0.005 0.000 1.144 1009 L CB -0.317 41.633 42.059 -0.181 0.000 1.379 1009 L HN 0.668 nan 8.230 nan 0.000 0.414 1010 S N -1.160 114.407 115.700 -0.222 0.000 2.602 1010 S HA 0.191 4.669 4.470 0.013 0.000 0.240 1010 S C 1.439 175.959 174.600 -0.134 0.000 0.992 1010 S CA 0.121 58.035 58.200 -0.477 0.000 0.971 1010 S CB 0.839 63.563 63.200 -0.793 0.000 0.855 1010 S HN 0.506 nan 8.310 nan 0.000 0.481 1011 A N 1.188 123.962 122.820 -0.076 0.000 2.168 1011 A HA 0.515 4.843 4.320 0.013 0.000 0.215 1011 A C 2.027 179.456 177.584 -0.258 0.000 1.152 1011 A CA 0.980 52.839 52.037 -0.297 0.000 0.716 1011 A CB -1.143 17.435 19.000 -0.704 0.000 0.794 1011 A HN 1.471 nan 8.150 nan 0.000 0.465 1012 G N -0.970 107.782 108.800 -0.081 0.000 2.900 1012 G HA2 -0.301 3.667 3.960 0.013 0.000 0.223 1012 G HA3 -0.301 3.667 3.960 0.013 0.000 0.223 1012 G C 0.469 175.362 174.900 -0.012 0.000 1.293 1012 G CA 0.412 45.514 45.100 0.003 0.000 0.792 1012 G HN 0.663 nan 8.290 nan 0.000 0.527 1013 R N -0.303 120.071 120.500 -0.209 0.000 2.534 1013 R HA 0.672 5.020 4.340 0.013 0.000 0.301 1013 R C -1.551 174.508 176.300 -0.401 0.000 0.961 1013 R CA -0.558 55.456 56.100 -0.143 0.000 0.871 1013 R CB 1.430 31.683 30.300 -0.078 0.000 1.170 1013 R HN 0.279 nan 8.270 nan 0.000 0.446 1014 Y N 0.701 120.981 120.300 -0.034 0.000 2.425 1014 Y HA 0.306 4.864 4.550 0.013 0.000 0.344 1014 Y C -0.346 175.670 175.900 0.193 0.000 0.969 1014 Y CA -0.834 57.196 58.100 -0.116 0.000 1.052 1014 Y CB 1.994 40.222 38.460 -0.388 0.000 1.215 1014 Y HN 0.580 nan 8.280 nan 0.000 0.451 1015 H N 3.434 122.739 119.070 0.392 0.000 2.538 1015 H HA 0.619 5.183 4.556 0.013 0.000 0.353 1015 H C -1.645 174.064 175.328 0.635 0.000 1.109 1015 H CA -0.899 55.386 56.048 0.395 0.000 1.192 1015 H CB 1.129 31.027 29.762 0.225 0.000 1.555 1015 H HN 0.594 nan 8.280 nan 0.000 0.518 1016 Y N 1.691 121.745 120.300 -0.409 0.000 2.609 1016 Y HA 0.468 5.026 4.550 0.014 0.000 0.336 1016 Y C -2.088 173.617 175.900 -0.326 0.000 1.129 1016 Y CA -1.094 56.886 58.100 -0.200 0.000 1.040 1016 Y CB 1.376 39.858 38.460 0.037 0.000 1.310 1016 Y HN 0.738 nan 8.280 nan 0.000 0.460 1017 Q N 3.021 122.822 119.800 0.001 0.000 2.377 1017 Q HA 0.803 5.151 4.340 0.013 0.000 0.279 1017 Q C -2.123 173.981 176.000 0.172 0.000 1.049 1017 Q CA -1.111 54.693 55.803 0.002 0.000 0.825 1017 Q CB 3.402 32.177 28.738 0.062 0.000 1.401 1017 Q HN 0.860 nan 8.270 nan 0.000 0.404 1018 L N 0.679 121.992 121.223 0.150 0.000 2.465 1018 L HA 0.689 5.037 4.340 0.013 0.000 0.257 1018 L C -1.129 175.873 176.870 0.220 0.000 0.988 1018 L CA -1.184 53.788 54.840 0.220 0.000 0.827 1018 L CB 2.756 44.928 42.059 0.189 0.000 1.397 1018 L HN 0.463 nan 8.230 nan 0.000 0.410 1019 V N 0.785 120.854 119.914 0.258 0.000 2.448 1019 V HA 0.423 4.552 4.120 0.013 0.000 0.295 1019 V C -1.249 175.029 176.094 0.306 0.000 1.025 1019 V CA -0.417 62.036 62.300 0.256 0.000 0.859 1019 V CB 2.085 34.030 31.823 0.202 0.000 0.988 1019 V HN 0.600 nan 8.190 nan 0.000 0.431 1020 W N 6.865 128.229 121.300 0.107 0.000 2.475 1020 W HA 0.725 5.393 4.660 0.014 0.000 0.317 1020 W C -0.330 176.189 176.519 0.001 0.000 1.046 1020 W CA -1.128 56.198 57.345 -0.032 0.000 1.215 1020 W CB 1.474 30.975 29.460 0.068 0.000 1.335 1020 W HN 0.879 nan 8.180 nan 0.000 0.471 1021 C N 4.094 123.661 119.300 0.445 0.000 3.291 1021 C HA 0.784 5.252 4.460 0.013 0.000 0.316 1021 C C -0.522 174.594 174.990 0.210 0.000 1.391 1021 C CA -0.846 58.353 59.018 0.302 0.000 1.394 1021 C CB 1.401 29.256 27.740 0.192 0.000 1.744 1021 C HN 0.748 nan 8.230 nan 0.000 0.461 1022 Q N 1.929 121.805 119.800 0.126 0.000 2.226 1022 Q HA 0.707 5.055 4.340 0.013 0.000 0.256 1022 Q C -0.392 175.608 176.000 -0.001 0.000 0.962 1022 Q CA 0.043 55.865 55.803 0.030 0.000 0.887 1022 Q CB 1.019 29.741 28.738 -0.027 0.000 1.282 1022 Q HN 0.882 nan 8.270 nan 0.000 0.449 1023 K N 0.000 120.373 120.400 -0.045 0.000 2.780 1023 K HA 0.000 4.328 4.320 0.013 0.000 0.191 1023 K CA 0.000 56.264 56.287 -0.039 0.000 0.838 1023 K CB 0.000 32.482 32.500 -0.029 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543