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 1jz0_1_C DATA FIRST_RESID 3 DATA SEQUENCE ITDSLAVVLQ RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR DATA SEQUENCE SLNGEWRFAW FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN DATA SEQUENCE VTYPITVNPP FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL DATA SEQUENCE WCNGRWVGYG QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM DATA SEQUENCE WRMSGIFRDV SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD DATA SEQUENCE YLRVTVSLWQ GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS DATA SEQUENCE AEIPNLYRAV VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR DATA SEQUENCE GVNRHEHHPL HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DATA SEQUENCE DRYGLYVVDE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS DATA SEQUENCE VIIWSLGNES GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM DATA SEQUENCE YARVDEDQPF PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY DATA SEQUENCE WQAFRQYPRL QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC DATA SEQUENCE MNGLVFADRT PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL DATA SEQUENCE HWMVALDGKP LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ DATA SEQUENCE PNATAWSEAG HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFXIELG DATA SEQUENCE NKRWQFNRQS GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID DATA SEQUENCE PNAWVERWKA AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS DATA SEQUENCE RKTYRIDGSG QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP DATA SEQUENCE QENYPDRLTA AXFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR DATA SEQUENCE GDFQFNISRY SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS DATA SEQUENCE VSAEFQLSAG RYHYQLVWXQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.143 176.117 0.043 0.000 1.063 3 I CA 0.000 61.325 61.300 0.041 0.000 1.566 3 I CB 0.000 38.016 38.000 0.027 0.000 1.214 4 T N -1.959 112.627 114.554 0.053 0.000 3.100 4 T HA 0.205 4.555 4.350 -0.000 0.000 0.253 4 T C 0.791 175.528 174.700 0.062 0.000 1.118 4 T CA 0.998 63.116 62.100 0.031 0.000 1.058 4 T CB -0.466 68.418 68.868 0.026 0.000 0.953 4 T HN 0.312 nan 8.240 nan 0.000 0.515 5 D N 2.303 122.796 120.400 0.156 0.000 2.340 5 D HA 0.089 4.729 4.640 -0.000 0.000 0.220 5 D C 0.975 177.473 176.300 0.330 0.000 1.039 5 D CA 0.121 54.323 54.000 0.337 0.000 0.866 5 D CB 0.002 41.052 40.800 0.417 0.000 0.913 5 D HN 0.564 nan 8.370 nan 0.000 0.523 6 S N 0.310 116.094 115.700 0.139 0.000 2.549 6 S HA 0.046 4.516 4.470 -0.000 0.000 0.283 6 S C 1.374 176.021 174.600 0.079 0.000 1.320 6 S CA -0.648 57.595 58.200 0.073 0.000 1.058 6 S CB 1.070 64.285 63.200 0.025 0.000 0.882 6 S HN -0.116 nan 8.310 nan 0.000 0.498 7 L N 4.144 125.397 121.223 0.051 0.000 1.997 7 L HA -0.128 4.212 4.340 -0.000 0.000 0.216 7 L C 3.017 179.905 176.870 0.030 0.000 1.074 7 L CA 2.600 57.477 54.840 0.061 0.000 0.763 7 L CB -1.792 40.262 42.059 -0.009 0.000 0.890 7 L HN 1.000 nan 8.230 nan 0.000 0.434 8 A N -1.380 121.446 122.820 0.010 0.000 1.940 8 A HA -0.237 4.083 4.320 -0.000 0.000 0.221 8 A C 2.490 180.070 177.584 -0.006 0.000 1.190 8 A CA 2.434 54.474 52.037 0.005 0.000 0.647 8 A CB -1.062 17.937 19.000 -0.001 0.000 0.821 8 A HN 0.263 nan 8.150 nan 0.000 0.457 9 V N -0.911 118.990 119.914 -0.022 0.000 2.273 9 V HA -0.164 3.956 4.120 -0.000 0.000 0.242 9 V C 2.572 178.596 176.094 -0.117 0.000 1.035 9 V CA 1.721 63.986 62.300 -0.058 0.000 1.013 9 V CB -0.394 31.399 31.823 -0.050 0.000 0.652 9 V HN 0.368 nan 8.190 nan 0.000 0.452 10 V N 0.685 120.500 119.914 -0.165 0.000 2.231 10 V HA -0.306 3.814 4.120 -0.000 0.000 0.250 10 V C 2.188 178.168 176.094 -0.189 0.000 1.058 10 V CA 2.342 64.434 62.300 -0.347 0.000 1.022 10 V CB -0.757 30.800 31.823 -0.444 0.000 0.640 10 V HN 0.494 nan 8.190 nan 0.000 0.445 11 L N 0.351 121.567 121.223 -0.012 0.000 2.633 11 L HA -0.123 4.217 4.340 -0.000 0.000 0.235 11 L C 2.385 179.334 176.870 0.133 0.000 1.163 11 L CA 0.813 55.789 54.840 0.226 0.000 0.859 11 L CB -0.798 41.432 42.059 0.286 0.000 0.973 11 L HN 0.432 nan 8.230 nan 0.000 0.451 12 Q N 1.043 120.842 119.800 -0.000 0.000 2.079 12 Q HA -0.149 4.191 4.340 -0.000 0.000 0.200 12 Q C 2.312 178.253 176.000 -0.098 0.000 0.974 12 Q CA 1.493 57.276 55.803 -0.035 0.000 0.840 12 Q CB -0.044 28.662 28.738 -0.054 0.000 0.898 12 Q HN 0.223 nan 8.270 nan 0.000 0.430 13 R N 0.370 120.789 120.500 -0.136 0.000 2.105 13 R HA -0.007 4.333 4.340 -0.000 0.000 0.239 13 R C 0.340 176.444 176.300 -0.327 0.000 1.135 13 R CA 1.159 57.143 56.100 -0.193 0.000 0.967 13 R CB -0.265 29.921 30.300 -0.190 0.000 0.861 13 R HN 0.356 nan 8.270 nan 0.000 0.442 14 R N 0.749 120.942 120.500 -0.511 0.000 3.261 14 R HA -0.126 4.214 4.340 -0.000 0.000 0.257 14 R C -0.050 175.695 176.300 -0.925 0.000 1.014 14 R CA 0.412 55.734 56.100 -1.297 0.000 0.681 14 R CB -1.207 28.542 30.300 -0.919 0.000 1.155 14 R HN 0.335 nan 8.270 nan 0.000 0.424 15 D N -0.276 119.803 120.400 -0.534 0.000 2.182 15 D HA -0.191 4.449 4.640 -0.000 0.000 0.201 15 D C 1.606 177.850 176.300 -0.093 0.000 0.986 15 D CA 1.844 55.632 54.000 -0.353 0.000 0.847 15 D CB -0.153 40.231 40.800 -0.692 0.000 0.942 15 D HN 0.731 nan 8.370 nan 0.000 0.467 16 W N 1.592 122.931 121.300 0.064 0.000 3.204 16 W HA 0.135 4.795 4.660 -0.000 0.000 0.249 16 W C 0.457 177.090 176.519 0.191 0.000 1.322 16 W CA -0.117 57.366 57.345 0.229 0.000 1.593 16 W CB -0.245 29.380 29.460 0.275 0.000 1.122 16 W HN -0.166 nan 8.180 nan 0.000 0.710 17 E N 0.944 120.974 120.200 -0.284 0.000 2.995 17 E HA 0.058 4.408 4.350 -0.000 0.000 0.203 17 E C -0.774 175.719 176.600 -0.180 0.000 0.980 17 E CA -0.224 56.091 56.400 -0.141 0.000 1.172 17 E CB -0.178 29.475 29.700 -0.078 0.000 1.088 17 E HN 0.093 nan 8.360 nan 0.000 0.463 18 N N 1.226 119.839 118.700 -0.145 0.000 2.594 18 N HA 0.137 4.876 4.740 -0.000 0.000 0.280 18 N C -2.243 173.149 175.510 -0.197 0.000 1.156 18 N CA -1.951 50.979 53.050 -0.200 0.000 0.831 18 N CB 1.481 39.855 38.487 -0.190 0.000 1.379 18 N HN -0.234 nan 8.380 nan 0.000 0.536 19 P HA -0.046 nan 4.420 nan 0.000 0.220 19 P C 1.175 178.247 177.300 -0.380 0.000 1.144 19 P CA 1.056 63.831 63.100 -0.541 0.000 0.800 19 P CB 0.132 31.064 31.700 -1.279 0.000 0.772 20 G N -0.595 108.020 108.800 -0.309 0.000 2.484 20 G HA2 0.001 3.961 3.960 -0.000 0.000 0.218 20 G HA3 0.001 3.961 3.960 -0.000 0.000 0.218 20 G C 0.354 175.183 174.900 -0.118 0.000 1.130 20 G CA 0.208 45.182 45.100 -0.211 0.000 0.784 20 G HN 0.239 nan 8.290 nan 0.000 0.543 21 V N 1.222 121.088 119.914 -0.080 0.000 2.350 21 V HA 0.401 4.521 4.120 -0.000 0.000 0.285 21 V C 0.853 177.015 176.094 0.114 0.000 1.014 21 V CA 0.182 62.491 62.300 0.014 0.000 0.831 21 V CB 1.311 33.137 31.823 0.006 0.000 1.000 21 V HN 0.299 nan 8.190 nan 0.000 0.433 22 T N 0.752 115.361 114.554 0.091 0.000 3.003 22 T HA 0.355 4.705 4.350 -0.000 0.000 0.261 22 T C 0.235 174.961 174.700 0.044 0.000 1.003 22 T CA 0.234 62.382 62.100 0.080 0.000 0.917 22 T CB 0.401 69.274 68.868 0.009 0.000 1.084 22 T HN 0.704 nan 8.240 nan 0.000 0.522 23 Q N 0.394 120.267 119.800 0.121 0.000 2.687 23 Q HA 0.702 5.042 4.340 -0.000 0.000 0.295 23 Q C -2.251 173.877 176.000 0.214 0.000 0.920 23 Q CA -1.064 54.799 55.803 0.100 0.000 0.766 23 Q CB 0.981 29.701 28.738 -0.029 0.000 1.467 23 Q HN 0.239 nan 8.270 nan 0.000 0.415 24 L N 1.730 123.101 121.223 0.247 0.000 2.528 24 L HA 0.561 4.900 4.340 -0.000 0.000 0.267 24 L C -0.746 176.267 176.870 0.239 0.000 0.961 24 L CA -0.842 54.160 54.840 0.270 0.000 0.866 24 L CB 1.921 44.244 42.059 0.440 0.000 1.248 24 L HN 0.858 nan 8.230 nan 0.000 0.404 25 N N 0.885 119.684 118.700 0.165 0.000 2.741 25 N HA -0.219 4.521 4.740 -0.000 0.000 0.251 25 N C 0.180 175.769 175.510 0.131 0.000 1.112 25 N CA 0.817 53.963 53.050 0.160 0.000 0.750 25 N CB -0.768 37.808 38.487 0.148 0.000 1.119 25 N HN 0.694 nan 8.380 nan 0.000 0.561 26 R N 1.163 121.614 120.500 -0.081 0.000 2.390 26 R HA 0.401 4.741 4.340 -0.000 0.000 0.291 26 R C 0.774 176.902 176.300 -0.286 0.000 1.070 26 R CA -0.442 55.340 56.100 -0.529 0.000 1.014 26 R CB 0.611 30.602 30.300 -0.515 0.000 1.007 26 R HN 0.110 nan 8.270 nan 0.000 0.466 27 L N 2.570 123.612 121.223 -0.303 0.000 2.456 27 L HA 0.280 4.620 4.340 -0.000 0.000 0.246 27 L C 0.751 177.577 176.870 -0.073 0.000 1.238 27 L CA -0.508 54.265 54.840 -0.111 0.000 0.826 27 L CB 0.227 42.263 42.059 -0.039 0.000 1.150 27 L HN 0.739 nan 8.230 nan 0.000 0.514 28 A N 0.238 123.064 122.820 0.010 0.000 2.322 28 A HA 0.615 4.935 4.320 -0.000 0.000 0.269 28 A C 0.105 177.752 177.584 0.105 0.000 1.094 28 A CA -0.175 51.886 52.037 0.039 0.000 0.807 28 A CB 0.547 19.587 19.000 0.067 0.000 1.047 28 A HN 0.758 nan 8.150 nan 0.000 0.487 29 A N 0.823 123.659 122.820 0.027 0.000 2.332 29 A HA 0.692 5.012 4.320 -0.000 0.000 0.258 29 A C 0.066 177.645 177.584 -0.008 0.000 1.087 29 A CA 0.567 52.562 52.037 -0.071 0.000 0.802 29 A CB -0.113 18.816 19.000 -0.118 0.000 1.042 29 A HN 2.036 nan 8.150 nan 0.000 0.489 30 H N -2.458 116.526 119.070 -0.143 0.000 2.921 30 H HA 0.545 5.101 4.556 -0.000 0.000 0.287 30 H C -3.418 171.683 175.328 -0.378 0.000 1.434 30 H CA -1.509 54.410 56.048 -0.216 0.000 1.178 30 H CB 0.065 29.705 29.762 -0.204 0.000 1.836 30 H HN 0.428 nan 8.280 nan 0.000 0.495 31 P HA 0.209 nan 4.420 nan 0.000 0.272 31 P C -2.609 174.402 177.300 -0.482 0.000 1.240 31 P CA -1.526 61.346 63.100 -0.380 0.000 0.791 31 P CB -0.406 31.057 31.700 -0.396 0.000 0.978 32 P HA 0.073 nan 4.420 nan 0.000 0.261 32 P C -0.769 176.539 177.300 0.013 0.000 1.183 32 P CA 1.005 64.013 63.100 -0.153 0.000 0.761 32 P CB -0.181 31.516 31.700 -0.006 0.000 0.785 33 F N 1.235 121.316 119.950 0.217 0.000 2.538 33 F HA 0.597 5.124 4.527 -0.000 0.000 0.325 33 F C 1.139 176.917 175.800 -0.036 0.000 1.066 33 F CA -0.963 57.111 58.000 0.123 0.000 0.946 33 F CB 1.996 41.031 39.000 0.057 0.000 1.199 33 F HN 0.223 nan 8.300 nan 0.000 0.473 34 A N 0.254 123.093 122.820 0.032 0.000 2.140 34 A HA 0.274 4.594 4.320 -0.000 0.000 0.199 34 A C 0.880 178.251 177.584 -0.355 0.000 1.416 34 A CA 0.611 52.402 52.037 -0.410 0.000 1.018 34 A CB -0.064 18.118 19.000 -1.363 0.000 1.117 34 A HN 0.820 nan 8.150 nan 0.000 0.480 35 S N -0.599 115.005 115.700 -0.161 0.000 3.748 35 S HA -0.131 4.339 4.470 -0.000 0.000 0.329 35 S C 0.018 174.597 174.600 -0.036 0.000 1.104 35 S CA 0.389 58.523 58.200 -0.110 0.000 0.954 35 S CB -1.849 61.253 63.200 -0.164 0.000 0.910 35 S HN 0.504 nan 8.310 nan 0.000 0.494 36 W N 1.122 122.426 121.300 0.007 0.000 2.226 36 W HA 0.116 4.776 4.660 -0.000 0.000 0.352 36 W C 1.584 178.102 176.519 -0.002 0.000 1.277 36 W CA -0.008 57.346 57.345 0.014 0.000 1.305 36 W CB 0.104 29.572 29.460 0.013 0.000 1.193 36 W HN 0.354 nan 8.180 nan 0.000 0.596 37 R N 1.221 121.891 120.500 0.282 0.000 2.535 37 R HA 0.084 4.423 4.340 -0.000 0.000 0.323 37 R C 0.036 176.419 176.300 0.139 0.000 0.979 37 R CA -0.086 56.111 56.100 0.162 0.000 1.120 37 R CB 0.359 30.723 30.300 0.107 0.000 1.306 37 R HN 0.407 nan 8.270 nan 0.000 0.540 38 N N 0.899 119.702 118.700 0.170 0.000 2.454 38 N HA -0.011 4.729 4.740 -0.000 0.000 0.291 38 N C 0.585 176.082 175.510 -0.021 0.000 1.079 38 N CA 0.168 53.262 53.050 0.073 0.000 0.893 38 N CB 2.110 40.634 38.487 0.062 0.000 1.512 38 N HN -0.080 nan 8.380 nan 0.000 0.497 39 S N 3.252 118.919 115.700 -0.055 0.000 2.369 39 S HA -0.218 4.252 4.470 -0.000 0.000 0.225 39 S C 1.298 175.748 174.600 -0.249 0.000 1.043 39 S CA 1.340 59.462 58.200 -0.132 0.000 1.074 39 S CB -0.332 62.825 63.200 -0.073 0.000 0.962 39 S HN 0.666 nan 8.310 nan 0.000 0.433 40 E N 1.248 121.331 120.200 -0.196 0.000 2.086 40 E HA -0.177 4.172 4.350 -0.000 0.000 0.200 40 E C 2.223 178.649 176.600 -0.290 0.000 1.012 40 E CA 1.683 57.938 56.400 -0.243 0.000 0.812 40 E CB -0.621 28.986 29.700 -0.155 0.000 0.743 40 E HN 0.778 nan 8.360 nan 0.000 0.453 41 E N 0.214 120.274 120.200 -0.233 0.000 2.038 41 E HA -0.194 4.156 4.350 -0.000 0.000 0.195 41 E C 2.055 178.235 176.600 -0.700 0.000 1.000 41 E CA 1.170 57.442 56.400 -0.213 0.000 0.803 41 E CB -0.157 29.602 29.700 0.099 0.000 0.750 41 E HN 0.232 nan 8.360 nan 0.000 0.448 42 A N 1.578 123.584 122.820 -1.357 0.000 1.877 42 A HA -0.236 4.084 4.320 -0.000 0.000 0.216 42 A C 2.121 179.064 177.584 -1.067 0.000 1.186 42 A CA 1.802 52.486 52.037 -2.254 0.000 0.620 42 A CB -0.581 17.533 19.000 -1.476 0.000 0.822 42 A HN 0.137 nan 8.150 nan 0.000 0.443 43 R N -0.106 119.992 120.500 -0.670 0.000 2.127 43 R HA -0.135 4.205 4.340 -0.000 0.000 0.238 43 R C 1.451 177.509 176.300 -0.403 0.000 1.134 43 R CA 2.071 57.864 56.100 -0.512 0.000 0.975 43 R CB -0.419 29.523 30.300 -0.598 0.000 0.865 43 R HN 0.592 nan 8.270 nan 0.000 0.447 44 T N -2.783 111.561 114.554 -0.350 0.000 3.134 44 T HA 0.122 4.472 4.350 -0.000 0.000 0.260 44 T C -0.005 174.637 174.700 -0.096 0.000 1.027 44 T CA 0.121 62.102 62.100 -0.198 0.000 0.913 44 T CB 0.264 69.040 68.868 -0.154 0.000 1.046 44 T HN 0.272 nan 8.240 nan 0.000 0.553 45 D N 1.479 121.800 120.400 -0.132 0.000 2.723 45 D HA -0.152 4.488 4.640 -0.000 0.000 0.236 45 D C 0.339 176.790 176.300 0.251 0.000 1.138 45 D CA 0.394 54.464 54.000 0.116 0.000 0.676 45 D CB -0.619 40.262 40.800 0.136 0.000 1.069 45 D HN 0.504 nan 8.370 nan 0.000 0.430 46 R N -0.365 120.300 120.500 0.276 0.000 2.745 46 R HA 0.559 4.899 4.340 -0.000 0.000 0.251 46 R C -2.083 174.484 176.300 0.445 0.000 1.257 46 R CA -0.941 55.344 56.100 0.308 0.000 1.102 46 R CB -0.373 30.061 30.300 0.224 0.000 1.151 46 R HN 0.136 nan 8.270 nan 0.000 0.571 47 P HA 0.153 nan 4.420 nan 0.000 0.301 47 P C -0.985 176.359 177.300 0.074 0.000 1.337 47 P CA -0.420 62.772 63.100 0.155 0.000 0.889 47 P CB 1.682 33.444 31.700 0.102 0.000 1.050 48 S N 1.843 117.446 115.700 -0.163 0.000 2.508 48 S HA 0.133 4.603 4.470 -0.000 0.000 0.284 48 S C 1.048 175.609 174.600 -0.064 0.000 1.192 48 S CA -0.453 57.597 58.200 -0.249 0.000 1.070 48 S CB 0.593 63.358 63.200 -0.725 0.000 1.004 48 S HN 0.320 nan 8.310 nan 0.000 0.493 49 Q N 2.343 122.160 119.800 0.029 0.000 2.369 49 Q HA -0.052 4.288 4.340 -0.000 0.000 0.206 49 Q C 0.925 177.069 176.000 0.240 0.000 0.963 49 Q CA 0.521 56.401 55.803 0.128 0.000 0.894 49 Q CB -0.162 28.663 28.738 0.146 0.000 0.965 49 Q HN 0.782 nan 8.270 nan 0.000 0.475 50 Q N 0.529 120.398 119.800 0.116 0.000 2.444 50 Q HA 0.116 4.456 4.340 -0.000 0.000 0.206 50 Q C 0.148 176.199 176.000 0.085 0.000 0.948 50 Q CA 0.224 56.074 55.803 0.078 0.000 0.946 50 Q CB -0.055 28.625 28.738 -0.096 0.000 1.027 50 Q HN 0.167 nan 8.270 nan 0.000 0.513 51 L N 1.006 122.298 121.223 0.115 0.000 2.343 51 L HA 0.482 4.821 4.340 -0.000 0.000 0.278 51 L C -1.171 175.783 176.870 0.140 0.000 0.996 51 L CA -0.391 54.505 54.840 0.093 0.000 0.831 51 L CB 1.533 43.566 42.059 -0.042 0.000 1.232 51 L HN -0.110 nan 8.230 nan 0.000 0.413 52 R N 2.727 123.332 120.500 0.175 0.000 2.575 52 R HA 0.470 4.809 4.340 -0.000 0.000 0.293 52 R C -1.045 175.288 176.300 0.055 0.000 0.983 52 R CA -0.544 55.626 56.100 0.116 0.000 0.887 52 R CB 2.269 32.653 30.300 0.140 0.000 1.184 52 R HN 0.707 nan 8.270 nan 0.000 0.445 53 S N 3.146 118.866 115.700 0.034 0.000 2.562 53 S HA 0.308 4.777 4.470 -0.000 0.000 0.275 53 S C 0.859 175.472 174.600 0.023 0.000 1.281 53 S CA -0.528 57.685 58.200 0.023 0.000 1.045 53 S CB 0.565 63.786 63.200 0.035 0.000 0.962 53 S HN 0.566 nan 8.310 nan 0.000 0.503 54 L N 3.490 124.736 121.223 0.039 0.000 2.910 54 L HA 0.299 4.639 4.340 -0.000 0.000 0.252 54 L C 0.082 177.155 176.870 0.338 0.000 1.195 54 L CA -0.316 54.588 54.840 0.107 0.000 1.003 54 L CB -0.508 41.589 42.059 0.062 0.000 1.328 54 L HN 0.521 nan 8.230 nan 0.000 0.540 55 N N 1.694 120.510 118.700 0.194 0.000 2.513 55 N HA 0.480 5.220 4.740 -0.000 0.000 0.268 55 N C 0.641 176.297 175.510 0.243 0.000 1.180 55 N CA 0.758 53.921 53.050 0.188 0.000 0.948 55 N CB 1.789 40.318 38.487 0.069 0.000 1.083 55 N HN 0.337 nan 8.380 nan 0.000 0.455 56 G N 0.922 109.906 108.800 0.307 0.000 2.403 56 G HA2 -0.050 3.909 3.960 -0.000 0.000 0.223 56 G HA3 -0.050 3.909 3.960 -0.000 0.000 0.223 56 G C -1.377 173.777 174.900 0.424 0.000 1.287 56 G CA -0.766 44.503 45.100 0.282 0.000 0.982 56 G HN 0.452 nan 8.290 nan 0.000 0.471 57 E N -0.412 119.980 120.200 0.320 0.000 2.338 57 E HA 0.516 4.866 4.350 -0.000 0.000 0.272 57 E C -1.060 175.791 176.600 0.420 0.000 1.029 57 E CA 0.039 56.627 56.400 0.314 0.000 0.872 57 E CB 0.773 30.573 29.700 0.167 0.000 1.015 57 E HN 0.389 nan 8.360 nan 0.000 0.417 58 W N 1.399 122.774 121.300 0.125 0.000 3.038 58 W HA 0.408 5.068 4.660 -0.000 0.000 0.347 58 W C -0.570 176.050 176.519 0.169 0.000 1.219 58 W CA -0.689 56.759 57.345 0.171 0.000 1.142 58 W CB 1.005 30.615 29.460 0.250 0.000 1.484 58 W HN 0.273 nan 8.180 nan 0.000 0.586 59 R N 1.605 122.363 120.500 0.430 0.000 2.460 59 R HA 0.643 4.983 4.340 -0.000 0.000 0.303 59 R C -1.519 174.971 176.300 0.317 0.000 0.968 59 R CA -0.834 55.448 56.100 0.304 0.000 0.889 59 R CB 1.991 32.412 30.300 0.201 0.000 1.123 59 R HN 0.369 nan 8.270 nan 0.000 0.455 60 F N 1.124 121.073 119.950 -0.002 0.000 2.563 60 F HA 0.698 5.225 4.527 -0.000 0.000 0.316 60 F C -1.386 174.264 175.800 -0.250 0.000 1.076 60 F CA -0.683 57.173 58.000 -0.240 0.000 0.921 60 F CB 2.088 40.802 39.000 -0.477 0.000 1.209 60 F HN 0.657 nan 8.300 nan 0.000 0.462 61 A N 4.472 126.336 122.820 -1.594 0.000 2.517 61 A HA 0.522 4.842 4.320 -0.000 0.000 0.297 61 A C -2.421 174.282 177.584 -1.468 0.000 1.050 61 A CA -0.519 50.784 52.037 -1.224 0.000 0.694 61 A CB 0.525 19.219 19.000 -0.510 0.000 1.277 61 A HN 0.968 nan 8.150 nan 0.000 0.400 62 W N 2.647 123.170 121.300 -1.295 0.000 2.551 62 W HA 0.779 5.439 4.660 -0.000 0.000 0.330 62 W C -1.901 174.141 176.519 -0.795 0.000 1.063 62 W CA -0.437 56.366 57.345 -0.902 0.000 1.222 62 W CB 1.204 30.319 29.460 -0.574 0.000 1.349 62 W HN 0.494 nan 8.180 nan 0.000 0.536 63 F N 5.795 125.100 119.950 -1.075 0.000 2.578 63 F HA 0.335 4.862 4.527 -0.000 0.000 0.311 63 F C -1.388 173.539 175.800 -1.454 0.000 1.094 63 F CA -2.667 54.819 58.000 -0.857 0.000 0.923 63 F CB 1.480 40.158 39.000 -0.537 0.000 1.230 63 F HN 0.193 nan 8.300 nan 0.000 0.450 64 P HA 0.026 nan 4.420 nan 0.000 0.225 64 P C -0.185 177.015 177.300 -0.167 0.000 1.148 64 P CA 1.118 64.036 63.100 -0.304 0.000 0.779 64 P CB 0.548 32.317 31.700 0.115 0.000 0.780 65 A N -1.242 121.481 122.820 -0.162 0.000 2.599 65 A HA 0.503 4.823 4.320 -0.000 0.000 0.294 65 A C -2.410 175.072 177.584 -0.171 0.000 1.055 65 A CA -1.005 50.968 52.037 -0.107 0.000 0.683 65 A CB 0.491 19.490 19.000 -0.001 0.000 1.278 65 A HN -0.289 nan 8.150 nan 0.000 0.412 66 P HA -0.146 nan 4.420 nan 0.000 0.215 66 P C 0.891 178.079 177.300 -0.186 0.000 1.153 66 P CA 1.774 64.725 63.100 -0.248 0.000 0.853 66 P CB 0.199 31.724 31.700 -0.291 0.000 0.788 67 E N 0.709 120.865 120.200 -0.073 0.000 2.070 67 E HA -0.166 4.184 4.350 -0.000 0.000 0.197 67 E C 2.271 178.830 176.600 -0.068 0.000 1.004 67 E CA 1.758 58.139 56.400 -0.031 0.000 0.805 67 E CB -1.285 28.433 29.700 0.030 0.000 0.744 67 E HN 0.184 nan 8.360 nan 0.000 0.451 68 A N 1.113 123.899 122.820 -0.057 0.000 2.139 68 A HA -0.098 4.221 4.320 -0.000 0.000 0.221 68 A C 0.995 178.466 177.584 -0.188 0.000 1.159 68 A CA 0.561 52.595 52.037 -0.006 0.000 0.662 68 A CB -0.600 18.492 19.000 0.154 0.000 0.796 68 A HN 0.078 nan 8.150 nan 0.000 0.463 69 V N 1.968 121.597 119.914 -0.475 0.000 2.655 69 V HA 0.209 4.329 4.120 -0.000 0.000 0.300 69 V C -2.068 173.844 176.094 -0.302 0.000 1.044 69 V CA -1.198 60.654 62.300 -0.747 0.000 1.095 69 V CB 0.636 31.899 31.823 -0.933 0.000 0.952 69 V HN 0.352 nan 8.190 nan 0.000 0.485 70 P HA 0.337 nan 4.420 nan 0.000 0.296 70 P C 0.390 177.680 177.300 -0.016 0.000 1.306 70 P CA -0.547 62.523 63.100 -0.050 0.000 0.818 70 P CB 1.641 33.356 31.700 0.027 0.000 0.969 71 E N 1.870 122.052 120.200 -0.029 0.000 2.169 71 E HA -0.231 4.119 4.350 -0.000 0.000 0.202 71 E C 1.633 178.201 176.600 -0.053 0.000 1.016 71 E CA 2.411 58.783 56.400 -0.047 0.000 0.817 71 E CB -0.273 29.399 29.700 -0.046 0.000 0.736 71 E HN 0.452 nan 8.360 nan 0.000 0.462 72 S N -0.231 115.461 115.700 -0.013 0.000 2.400 72 S HA -0.224 4.246 4.470 -0.000 0.000 0.232 72 S C 1.441 176.025 174.600 -0.027 0.000 1.025 72 S CA 1.045 59.236 58.200 -0.016 0.000 0.993 72 S CB -0.733 62.482 63.200 0.024 0.000 0.808 72 S HN 0.545 nan 8.310 nan 0.000 0.478 73 W N 2.731 123.942 121.300 -0.149 0.000 2.308 73 W HA -0.177 4.483 4.660 -0.000 0.000 0.301 73 W C 1.594 177.995 176.519 -0.196 0.000 1.220 73 W CA 1.044 58.290 57.345 -0.165 0.000 1.240 73 W CB -0.667 28.663 29.460 -0.216 0.000 1.142 73 W HN 0.252 nan 8.180 nan 0.000 0.521 74 L N 0.046 120.961 121.223 -0.513 0.000 2.083 74 L HA -0.214 4.125 4.340 -0.000 0.000 0.209 74 L C 2.620 179.206 176.870 -0.474 0.000 1.083 74 L CA 1.523 55.940 54.840 -0.704 0.000 0.752 74 L CB -0.749 40.971 42.059 -0.565 0.000 0.899 74 L HN -0.066 nan 8.230 nan 0.000 0.433 75 E N -1.095 118.928 120.200 -0.296 0.000 2.057 75 E HA 0.053 4.403 4.350 -0.000 0.000 0.190 75 E C 0.347 176.854 176.600 -0.155 0.000 0.969 75 E CA 0.512 56.803 56.400 -0.181 0.000 0.812 75 E CB 0.111 29.744 29.700 -0.111 0.000 0.777 75 E HN 0.336 nan 8.360 nan 0.000 0.455 76 C N 1.545 120.770 119.300 -0.125 0.000 2.712 76 C HA 0.371 4.831 4.460 -0.000 0.000 0.308 76 C C -0.077 174.906 174.990 -0.012 0.000 1.201 76 C CA -1.327 57.653 59.018 -0.063 0.000 1.554 76 C CB 1.681 29.408 27.740 -0.022 0.000 2.117 76 C HN 0.232 nan 8.230 nan 0.000 0.480 77 D N 1.193 121.606 120.400 0.021 0.000 2.378 77 D HA 0.237 4.877 4.640 -0.000 0.000 0.238 77 D C -0.049 176.329 176.300 0.128 0.000 1.180 77 D CA 0.422 54.487 54.000 0.108 0.000 0.895 77 D CB 0.606 41.458 40.800 0.086 0.000 1.192 77 D HN 0.342 nan 8.370 nan 0.000 0.438 78 L N 2.229 123.553 121.223 0.168 0.000 2.439 78 L HA 0.204 4.544 4.340 -0.000 0.000 0.259 78 L C -1.108 175.801 176.870 0.065 0.000 1.129 78 L CA -1.568 53.341 54.840 0.114 0.000 0.803 78 L CB 0.587 42.715 42.059 0.115 0.000 1.161 78 L HN 0.236 nan 8.230 nan 0.000 0.462 79 P HA -0.087 nan 4.420 nan 0.000 0.215 79 P C 0.574 177.885 177.300 0.018 0.000 1.157 79 P CA 1.058 64.174 63.100 0.027 0.000 0.856 79 P CB 0.160 31.872 31.700 0.020 0.000 0.786 80 E N 0.036 120.239 120.200 0.005 0.000 2.485 80 E HA 0.274 4.624 4.350 -0.000 0.000 0.194 80 E C 0.708 177.292 176.600 -0.026 0.000 1.098 80 E CA -0.127 56.262 56.400 -0.018 0.000 0.878 80 E CB -0.680 28.993 29.700 -0.045 0.000 0.939 80 E HN 0.206 nan 8.360 nan 0.000 0.503 81 A N 1.132 123.952 122.820 -0.001 0.000 2.351 81 A HA 0.207 4.526 4.320 -0.000 0.000 0.257 81 A C -0.095 177.513 177.584 0.040 0.000 1.087 81 A CA -0.426 51.610 52.037 -0.001 0.000 0.798 81 A CB 0.490 19.517 19.000 0.046 0.000 1.033 81 A HN 0.061 nan 8.150 nan 0.000 0.488 82 D N 0.004 120.449 120.400 0.075 0.000 2.299 82 D HA 0.433 5.073 4.640 -0.000 0.000 0.243 82 D C -0.745 175.640 176.300 0.143 0.000 0.982 82 D CA -0.098 53.977 54.000 0.125 0.000 0.924 82 D CB 1.741 42.669 40.800 0.214 0.000 1.238 82 D HN 0.419 nan 8.370 nan 0.000 0.484 83 T N 0.873 115.498 114.554 0.118 0.000 2.799 83 T HA 0.473 4.823 4.350 -0.000 0.000 0.286 83 T C -0.124 174.644 174.700 0.114 0.000 0.973 83 T CA -0.389 61.788 62.100 0.127 0.000 1.035 83 T CB 1.053 69.978 68.868 0.096 0.000 0.932 83 T HN 0.059 nan 8.240 nan 0.000 0.469 84 V N 3.248 123.257 119.914 0.158 0.000 3.078 84 V HA 0.501 4.621 4.120 -0.000 0.000 0.311 84 V C -0.383 175.810 176.094 0.164 0.000 1.138 84 V CA -0.954 61.405 62.300 0.098 0.000 1.007 84 V CB 2.440 34.314 31.823 0.084 0.000 1.045 84 V HN 0.639 nan 8.190 nan 0.000 0.432 85 V N 2.388 122.367 119.914 0.107 0.000 2.509 85 V HA 0.523 4.643 4.120 -0.000 0.000 0.284 85 V C -0.203 175.941 176.094 0.085 0.000 1.047 85 V CA -0.379 61.994 62.300 0.122 0.000 0.952 85 V CB 1.554 33.423 31.823 0.077 0.000 0.988 85 V HN 0.562 nan 8.190 nan 0.000 0.469 86 V N 7.042 126.952 119.914 -0.008 0.000 2.540 86 V HA 0.518 4.638 4.120 -0.000 0.000 0.302 86 V C -2.245 173.758 176.094 -0.152 0.000 1.035 86 V CA -1.571 60.603 62.300 -0.210 0.000 0.873 86 V CB 2.657 34.025 31.823 -0.758 0.000 0.992 86 V HN 0.797 nan 8.190 nan 0.000 0.428 87 P HA 0.656 nan 4.420 nan 0.000 0.281 87 P C -0.990 176.266 177.300 -0.072 0.000 1.264 87 P CA -0.372 62.636 63.100 -0.154 0.000 0.824 87 P CB 1.846 33.456 31.700 -0.150 0.000 1.092 88 S N -0.560 115.122 115.700 -0.030 0.000 2.656 88 S HA 0.385 4.855 4.470 -0.000 0.000 0.265 88 S C -1.522 173.065 174.600 -0.021 0.000 1.110 88 S CA -0.996 57.185 58.200 -0.032 0.000 0.821 88 S CB 0.004 63.210 63.200 0.011 0.000 1.099 88 S HN 0.366 nan 8.310 nan 0.000 0.471 89 N N 0.980 119.589 118.700 -0.151 0.000 2.392 89 N HA 0.469 5.209 4.740 -0.000 0.000 0.283 89 N C 0.387 175.768 175.510 -0.215 0.000 1.003 89 N CA -0.733 52.193 53.050 -0.207 0.000 0.892 89 N CB 0.795 39.102 38.487 -0.300 0.000 1.193 89 N HN 0.827 nan 8.380 nan 0.000 0.487 90 W N 2.739 123.923 121.300 -0.194 0.000 2.425 90 W HA -0.060 4.600 4.660 -0.000 0.000 0.277 90 W C 0.863 177.369 176.519 -0.023 0.000 1.231 90 W CA 0.902 58.144 57.345 -0.170 0.000 1.248 90 W CB -0.369 28.905 29.460 -0.310 0.000 1.117 90 W HN 0.485 nan 8.180 nan 0.000 0.568 91 Q N 0.419 120.218 119.800 -0.003 0.000 2.291 91 Q HA -0.121 4.219 4.340 -0.000 0.000 0.206 91 Q C 1.981 177.957 176.000 -0.039 0.000 0.976 91 Q CA 1.520 57.344 55.803 0.036 0.000 0.875 91 Q CB -0.686 27.950 28.738 -0.171 0.000 0.927 91 Q HN 0.212 nan 8.270 nan 0.000 0.450 92 M N -0.779 118.718 119.600 -0.172 0.000 2.630 92 M HA -0.044 4.436 4.480 -0.000 0.000 0.254 92 M C 0.326 176.558 176.300 -0.113 0.000 1.092 92 M CA 1.230 56.394 55.300 -0.227 0.000 1.087 92 M CB -0.540 31.846 32.600 -0.357 0.000 1.453 92 M HN 0.329 nan 8.290 nan 0.000 0.509 93 H N -1.754 117.377 119.070 0.101 0.000 2.581 93 H HA 0.381 4.937 4.556 -0.000 0.000 0.275 93 H C 1.275 176.510 175.328 -0.155 0.000 1.126 93 H CA 0.100 56.180 56.048 0.054 0.000 1.097 93 H CB 0.539 30.464 29.762 0.271 0.000 1.626 93 H HN 0.465 nan 8.280 nan 0.000 0.565 94 G N 0.579 109.401 108.800 0.036 0.000 2.199 94 G HA2 -0.425 3.535 3.960 -0.000 0.000 0.254 94 G HA3 -0.425 3.535 3.960 -0.000 0.000 0.254 94 G C 0.633 175.433 174.900 -0.165 0.000 0.982 94 G CA 0.627 45.664 45.100 -0.105 0.000 0.632 94 G HN 0.470 nan 8.290 nan 0.000 0.529 95 Y N 1.999 122.320 120.300 0.036 0.000 2.151 95 Y HA 0.160 4.710 4.550 -0.000 0.000 0.284 95 Y C 1.760 177.451 175.900 -0.349 0.000 1.166 95 Y CA 1.750 59.736 58.100 -0.190 0.000 1.163 95 Y CB -0.190 38.156 38.460 -0.192 0.000 0.974 95 Y HN 0.681 nan 8.280 nan 0.000 0.511 96 D N -2.584 117.937 120.400 0.202 0.000 2.768 96 D HA 0.510 5.150 4.640 -0.000 0.000 0.327 96 D C -1.183 175.236 176.300 0.198 0.000 1.302 96 D CA -0.699 53.419 54.000 0.196 0.000 0.897 96 D CB 0.650 41.717 40.800 0.444 0.000 1.420 96 D HN 0.031 nan 8.370 nan 0.000 0.494 97 A N -0.295 122.643 122.820 0.196 0.000 2.327 97 A HA 0.685 5.005 4.320 -0.000 0.000 0.283 97 A C -2.402 175.231 177.584 0.081 0.000 1.127 97 A CA -1.059 51.071 52.037 0.155 0.000 0.810 97 A CB 0.016 19.152 19.000 0.227 0.000 1.066 97 A HN 0.479 nan 8.150 nan 0.000 0.492 98 P HA 0.569 nan 4.420 nan 0.000 0.286 98 P C -1.049 176.381 177.300 0.216 0.000 1.261 98 P CA -0.199 62.843 63.100 -0.097 0.000 0.821 98 P CB 0.966 32.344 31.700 -0.538 0.000 1.013 99 I N 2.380 123.172 120.570 0.369 0.000 2.474 99 I HA 0.320 4.490 4.170 -0.000 0.000 0.294 99 I C -0.443 175.891 176.117 0.361 0.000 1.005 99 I CA -0.810 60.722 61.300 0.387 0.000 1.113 99 I CB 1.472 39.620 38.000 0.247 0.000 1.289 99 I HN 0.273 nan 8.210 nan 0.000 0.436 100 Y N 5.389 125.682 120.300 -0.012 0.000 2.712 100 Y HA 0.583 5.133 4.550 -0.000 0.000 0.328 100 Y C -0.343 175.417 175.900 -0.234 0.000 0.995 100 Y CA -0.290 57.516 58.100 -0.489 0.000 1.283 100 Y CB 0.905 38.415 38.460 -1.584 0.000 1.092 100 Y HN 0.631 nan 8.280 nan 0.000 0.519 101 T N 4.178 118.213 114.554 -0.866 0.000 2.887 101 T HA 0.253 4.603 4.350 -0.000 0.000 0.288 101 T C 0.370 174.587 174.700 -0.805 0.000 1.021 101 T CA -0.541 61.094 62.100 -0.775 0.000 1.000 101 T CB 1.416 70.060 68.868 -0.373 0.000 1.034 101 T HN 0.869 nan 8.240 nan 0.000 0.467 102 N N 2.027 120.330 118.700 -0.661 0.000 2.324 102 N HA 0.021 4.761 4.740 -0.000 0.000 0.192 102 N C 1.360 176.618 175.510 -0.419 0.000 1.046 102 N CA 0.560 53.361 53.050 -0.414 0.000 0.898 102 N CB 0.260 38.527 38.487 -0.366 0.000 1.079 102 N HN 0.350 nan 8.380 nan 0.000 0.456 103 V N 0.396 119.988 119.914 -0.537 0.000 2.627 103 V HA 0.079 4.199 4.120 -0.000 0.000 0.239 103 V C 0.550 176.308 176.094 -0.560 0.000 1.077 103 V CA 0.661 62.541 62.300 -0.700 0.000 1.103 103 V CB -0.020 31.352 31.823 -0.752 0.000 0.802 103 V HN 0.277 nan 8.190 nan 0.000 0.482 104 T N 1.337 115.640 114.554 -0.418 0.000 2.867 104 T HA 0.129 4.479 4.350 -0.000 0.000 0.297 104 T C -0.409 174.139 174.700 -0.253 0.000 0.989 104 T CA 0.358 62.286 62.100 -0.287 0.000 1.159 104 T CB -0.336 68.406 68.868 -0.211 0.000 0.928 104 T HN 0.188 nan 8.240 nan 0.000 0.538 105 Y N 4.789 124.987 120.300 -0.170 0.000 2.610 105 Y HA 0.109 4.659 4.550 -0.000 0.000 0.332 105 Y C -0.999 174.770 175.900 -0.219 0.000 1.201 105 Y CA -1.861 56.126 58.100 -0.188 0.000 1.465 105 Y CB 0.397 38.747 38.460 -0.183 0.000 1.283 105 Y HN 0.560 nan 8.280 nan 0.000 0.563 106 P HA -0.125 nan 4.420 nan 0.000 0.218 106 P C 0.185 177.301 177.300 -0.307 0.000 1.149 106 P CA 1.347 64.335 63.100 -0.187 0.000 0.817 106 P CB 0.174 31.738 31.700 -0.226 0.000 0.785 107 I N -4.525 115.780 120.570 -0.441 0.000 3.205 107 I HA 0.445 4.615 4.170 -0.000 0.000 0.310 107 I C -0.445 175.535 176.117 -0.229 0.000 1.089 107 I CA -0.991 60.040 61.300 -0.448 0.000 1.023 107 I CB 1.278 38.837 38.000 -0.735 0.000 1.269 107 I HN -0.397 nan 8.210 nan 0.000 0.512 108 T N 2.346 116.808 114.554 -0.154 0.000 2.907 108 T HA 0.246 4.596 4.350 -0.000 0.000 0.298 108 T C 0.123 174.813 174.700 -0.016 0.000 1.017 108 T CA -0.413 61.656 62.100 -0.052 0.000 1.118 108 T CB 1.065 69.929 68.868 -0.006 0.000 0.948 108 T HN 0.392 nan 8.240 nan 0.000 0.531 109 V N 4.345 124.272 119.914 0.022 0.000 2.352 109 V HA 0.268 4.388 4.120 -0.000 0.000 0.253 109 V C 0.652 176.809 176.094 0.105 0.000 1.083 109 V CA -0.268 62.075 62.300 0.072 0.000 0.993 109 V CB -0.617 31.236 31.823 0.050 0.000 1.111 109 V HN 0.862 nan 8.190 nan 0.000 0.490 110 N N 5.317 124.141 118.700 0.207 0.000 2.679 110 N HA 0.244 4.984 4.740 -0.000 0.000 0.240 110 N C -2.974 172.621 175.510 0.142 0.000 1.537 110 N CA -1.185 51.973 53.050 0.180 0.000 0.793 110 N CB 1.463 40.107 38.487 0.261 0.000 1.391 110 N HN 0.283 nan 8.380 nan 0.000 0.524 111 P HA 0.189 nan 4.420 nan 0.000 0.266 111 P C -2.348 174.653 177.300 -0.498 0.000 1.195 111 P CA -0.739 61.917 63.100 -0.741 0.000 0.768 111 P CB 0.370 31.375 31.700 -1.159 0.000 0.838 112 P HA 0.262 nan 4.420 nan 0.000 0.248 112 P C -0.743 176.420 177.300 -0.228 0.000 1.708 112 P CA -0.275 62.576 63.100 -0.415 0.000 1.062 112 P CB -0.286 31.183 31.700 -0.386 0.000 1.562 113 F N -0.366 119.719 119.950 0.225 0.000 2.404 113 F HA 0.292 4.819 4.527 -0.000 0.000 0.345 113 F C 1.054 177.031 175.800 0.294 0.000 1.110 113 F CA -1.172 56.965 58.000 0.229 0.000 1.130 113 F CB 1.299 40.376 39.000 0.128 0.000 1.129 113 F HN -0.292 nan 8.300 nan 0.000 0.500 114 V N 4.208 124.419 119.914 0.496 0.000 2.863 114 V HA 0.345 4.465 4.120 -0.000 0.000 0.307 114 V C -1.856 174.424 176.094 0.310 0.000 1.061 114 V CA -1.796 60.720 62.300 0.361 0.000 1.024 114 V CB 1.518 33.651 31.823 0.516 0.000 1.049 114 V HN 0.542 nan 8.190 nan 0.000 0.471 115 P HA 0.096 nan 4.420 nan 0.000 0.274 115 P C 0.802 178.256 177.300 0.257 0.000 1.231 115 P CA 0.049 63.258 63.100 0.181 0.000 0.790 115 P CB 0.604 32.370 31.700 0.109 0.000 0.951 116 T N -0.259 114.411 114.554 0.192 0.000 2.759 116 T HA -0.168 4.182 4.350 -0.000 0.000 0.269 116 T C 0.314 175.128 174.700 0.190 0.000 1.042 116 T CA 1.258 63.471 62.100 0.188 0.000 1.140 116 T CB -0.638 68.306 68.868 0.126 0.000 0.864 116 T HN 0.398 nan 8.240 nan 0.000 0.455 117 E N 2.821 123.137 120.200 0.194 0.000 1.963 117 E HA 0.428 4.778 4.350 -0.000 0.000 0.274 117 E C -0.671 176.085 176.600 0.259 0.000 1.061 117 E CA -0.314 56.202 56.400 0.192 0.000 0.847 117 E CB 0.440 30.259 29.700 0.198 0.000 1.083 117 E HN 0.442 nan 8.360 nan 0.000 0.402 118 N N 3.346 122.152 118.700 0.177 0.000 2.540 118 N HA 0.295 5.035 4.740 -0.000 0.000 0.275 118 N C -2.818 172.666 175.510 -0.043 0.000 1.053 118 N CA -2.682 50.473 53.050 0.174 0.000 0.876 118 N CB 1.205 39.853 38.487 0.268 0.000 1.284 118 N HN -0.028 nan 8.380 nan 0.000 0.518 119 P HA -0.009 nan 4.420 nan 0.000 0.253 119 P C -0.722 176.456 177.300 -0.204 0.000 1.170 119 P CA 0.587 63.584 63.100 -0.172 0.000 0.806 119 P CB -0.041 31.843 31.700 0.306 0.000 0.775 120 T N 2.760 116.991 114.554 -0.538 0.000 2.829 120 T HA 0.581 4.931 4.350 -0.000 0.000 0.282 120 T C 0.597 174.882 174.700 -0.691 0.000 0.990 120 T CA -0.470 61.375 62.100 -0.426 0.000 1.028 120 T CB 1.531 70.156 68.868 -0.405 0.000 0.951 120 T HN 0.301 nan 8.240 nan 0.000 0.460 121 G N 0.972 109.512 108.800 -0.433 0.000 2.605 121 G HA2 0.487 4.447 3.960 -0.000 0.000 0.304 121 G HA3 0.487 4.447 3.960 -0.000 0.000 0.304 121 G C -0.380 174.460 174.900 -0.100 0.000 1.333 121 G CA -0.486 44.356 45.100 -0.429 0.000 0.973 121 G HN 0.904 nan 8.290 nan 0.000 0.507 122 C N 3.072 122.028 119.300 -0.574 0.000 2.246 122 C HA 0.513 4.973 4.460 -0.000 0.000 0.329 122 C C -0.576 174.360 174.990 -0.089 0.000 1.221 122 C CA -1.140 57.528 59.018 -0.583 0.000 1.697 122 C CB -1.698 25.034 27.740 -1.680 0.000 2.312 122 C HN 0.595 nan 8.230 nan 0.000 0.509 123 Y N 1.697 122.211 120.300 0.356 0.000 2.387 123 Y HA 0.628 5.178 4.550 -0.000 0.000 0.336 123 Y C 0.726 177.099 175.900 0.789 0.000 1.067 123 Y CA -0.514 57.954 58.100 0.613 0.000 1.114 123 Y CB 1.382 40.199 38.460 0.594 0.000 1.208 123 Y HN 0.701 nan 8.280 nan 0.000 0.458 124 S N 3.080 119.275 115.700 0.825 0.000 2.546 124 S HA 0.832 5.301 4.470 -0.000 0.000 0.274 124 S C -1.557 173.124 174.600 0.135 0.000 1.121 124 S CA -0.884 57.604 58.200 0.481 0.000 0.887 124 S CB 2.340 65.779 63.200 0.398 0.000 1.094 124 S HN 0.672 nan 8.310 nan 0.000 0.474 125 L N 0.829 121.984 121.223 -0.113 0.000 2.565 125 L HA 0.663 5.003 4.340 -0.000 0.000 0.261 125 L C -1.535 175.304 176.870 -0.052 0.000 0.932 125 L CA 0.003 54.603 54.840 -0.401 0.000 0.878 125 L CB 2.193 43.399 42.059 -1.421 0.000 1.333 125 L HN 0.770 nan 8.230 nan 0.000 0.409 126 T N 5.301 119.843 114.554 -0.021 0.000 2.771 126 T HA 0.780 5.130 4.350 -0.000 0.000 0.281 126 T C -0.884 173.909 174.700 0.154 0.000 0.982 126 T CA -0.080 62.055 62.100 0.058 0.000 0.978 126 T CB 0.617 69.464 68.868 -0.035 0.000 0.930 126 T HN 0.488 nan 8.240 nan 0.000 0.447 127 F N 0.678 120.547 119.950 -0.135 0.000 2.741 127 F HA 0.693 5.220 4.527 -0.000 0.000 0.313 127 F C -1.044 174.699 175.800 -0.096 0.000 1.153 127 F CA -1.509 56.418 58.000 -0.122 0.000 0.931 127 F CB 1.261 40.177 39.000 -0.139 0.000 1.335 127 F HN 0.272 nan 8.300 nan 0.000 0.460 128 N N -0.129 118.522 118.700 -0.081 0.000 2.466 128 N HA 0.751 5.490 4.740 -0.000 0.000 0.294 128 N C -1.739 173.720 175.510 -0.085 0.000 1.129 128 N CA -0.621 52.338 53.050 -0.153 0.000 0.931 128 N CB 2.214 40.640 38.487 -0.101 0.000 1.193 128 N HN 0.591 nan 8.380 nan 0.000 0.500 129 V N 0.958 120.780 119.914 -0.154 0.000 2.577 129 V HA 0.260 4.380 4.120 -0.000 0.000 0.303 129 V C -0.585 175.383 176.094 -0.211 0.000 1.042 129 V CA -1.030 61.170 62.300 -0.166 0.000 0.872 129 V CB 1.541 33.322 31.823 -0.070 0.000 0.998 129 V HN 0.671 nan 8.190 nan 0.000 0.423 130 D N 3.406 123.580 120.400 -0.376 0.000 2.455 130 D HA -0.012 4.628 4.640 -0.000 0.000 0.241 130 D C 1.275 177.491 176.300 -0.139 0.000 1.138 130 D CA 0.181 54.010 54.000 -0.285 0.000 0.877 130 D CB 1.300 41.880 40.800 -0.366 0.000 1.187 130 D HN 0.821 nan 8.370 nan 0.000 0.451 131 E N 2.592 122.758 120.200 -0.057 0.000 2.274 131 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 131 E C 1.399 178.038 176.600 0.066 0.000 0.996 131 E CA 0.917 57.326 56.400 0.014 0.000 0.840 131 E CB -0.172 29.533 29.700 0.008 0.000 0.772 131 E HN 0.435 nan 8.360 nan 0.000 0.491 132 S N 0.334 116.068 115.700 0.056 0.000 2.380 132 S HA -0.204 4.265 4.470 -0.000 0.000 0.229 132 S C 1.557 176.261 174.600 0.172 0.000 1.043 132 S CA 1.488 59.754 58.200 0.109 0.000 1.038 132 S CB -0.745 62.526 63.200 0.119 0.000 0.872 132 S HN 0.538 nan 8.310 nan 0.000 0.456 133 W N 1.214 122.382 121.300 -0.220 0.000 2.402 133 W HA 0.240 4.900 4.660 -0.000 0.000 0.286 133 W C 2.275 178.751 176.519 -0.072 0.000 1.221 133 W CA 0.135 57.221 57.345 -0.431 0.000 1.257 133 W CB -0.963 28.267 29.460 -0.382 0.000 1.120 133 W HN 0.327 nan 8.180 nan 0.000 0.551 134 L N -0.273 121.091 121.223 0.235 0.000 2.291 134 L HA -0.188 4.152 4.340 -0.000 0.000 0.214 134 L C 2.247 179.198 176.870 0.135 0.000 1.120 134 L CA 0.989 55.935 54.840 0.176 0.000 0.799 134 L CB -0.358 41.771 42.059 0.117 0.000 0.925 134 L HN 0.027 nan 8.230 nan 0.000 0.446 135 Q N -0.323 119.550 119.800 0.122 0.000 1.864 135 Q HA -0.098 4.242 4.340 -0.000 0.000 0.219 135 Q C 0.898 176.959 176.000 0.103 0.000 0.975 135 Q CA 0.966 56.825 55.803 0.094 0.000 0.862 135 Q CB -0.115 28.670 28.738 0.078 0.000 0.913 135 Q HN 0.230 nan 8.270 nan 0.000 0.431 136 E N 0.673 120.945 120.200 0.120 0.000 2.292 136 E HA 0.399 4.749 4.350 -0.000 0.000 0.258 136 E C 0.489 177.187 176.600 0.164 0.000 1.115 136 E CA 0.134 56.601 56.400 0.111 0.000 0.929 136 E CB 0.476 30.226 29.700 0.084 0.000 1.161 136 E HN 0.411 nan 8.360 nan 0.000 0.453 137 G N 0.594 109.415 108.800 0.036 0.000 2.645 137 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.239 137 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.239 137 G C -0.831 173.973 174.900 -0.161 0.000 1.331 137 G CA 0.241 45.249 45.100 -0.153 0.000 0.890 137 G HN 0.844 nan 8.290 nan 0.000 0.572 138 Q N -0.571 118.974 119.800 -0.425 0.000 2.347 138 Q HA 0.644 4.984 4.340 -0.000 0.000 0.271 138 Q C -1.323 174.533 176.000 -0.241 0.000 1.064 138 Q CA -0.453 55.213 55.803 -0.227 0.000 0.800 138 Q CB 1.980 30.636 28.738 -0.136 0.000 1.304 138 Q HN 0.652 nan 8.270 nan 0.000 0.438 139 T N 4.732 119.297 114.554 0.018 0.000 2.815 139 T HA 0.518 4.867 4.350 -0.000 0.000 0.289 139 T C -0.749 174.030 174.700 0.133 0.000 1.000 139 T CA -0.643 61.526 62.100 0.115 0.000 0.958 139 T CB 0.679 69.746 68.868 0.330 0.000 0.944 139 T HN 0.640 nan 8.240 nan 0.000 0.442 140 R N 3.319 123.876 120.500 0.096 0.000 2.854 140 R HA 0.740 5.080 4.340 -0.000 0.000 0.271 140 R C -1.257 175.108 176.300 0.109 0.000 0.994 140 R CA -0.974 55.197 56.100 0.118 0.000 0.945 140 R CB 1.672 32.028 30.300 0.092 0.000 1.194 140 R HN 0.519 nan 8.270 nan 0.000 0.476 141 I N 2.656 123.295 120.570 0.114 0.000 2.525 141 I HA 0.478 4.648 4.170 -0.000 0.000 0.301 141 I C -1.077 175.037 176.117 -0.006 0.000 0.992 141 I CA -1.466 59.845 61.300 0.017 0.000 1.162 141 I CB 1.600 39.599 38.000 -0.002 0.000 1.332 141 I HN 0.661 nan 8.210 nan 0.000 0.458 142 I N 6.459 126.903 120.570 -0.211 0.000 2.512 142 I HA 0.264 4.433 4.170 -0.000 0.000 0.287 142 I C -1.360 174.491 176.117 -0.443 0.000 1.069 142 I CA -0.403 60.781 61.300 -0.193 0.000 1.056 142 I CB 1.864 39.806 38.000 -0.097 0.000 1.229 142 I HN 0.329 nan 8.210 nan 0.000 0.429 143 F N 4.333 124.281 119.950 -0.003 0.000 2.334 143 F HA 0.276 4.803 4.527 -0.000 0.000 0.367 143 F C 1.325 177.022 175.800 -0.173 0.000 1.115 143 F CA -0.430 57.497 58.000 -0.122 0.000 1.116 143 F CB 0.740 39.644 39.000 -0.159 0.000 1.230 143 F HN 0.469 nan 8.300 nan 0.000 0.484 144 D N 2.361 122.702 120.400 -0.097 0.000 2.264 144 D HA 0.057 4.697 4.640 -0.000 0.000 0.208 144 D C 0.951 177.096 176.300 -0.258 0.000 0.966 144 D CA 0.905 54.799 54.000 -0.176 0.000 0.864 144 D CB 0.367 41.025 40.800 -0.236 0.000 0.933 144 D HN 0.662 nan 8.370 nan 0.000 0.499 145 G N -0.705 107.869 108.800 -0.376 0.000 2.617 145 G HA2 0.408 4.368 3.960 -0.000 0.000 0.305 145 G HA3 0.408 4.368 3.960 -0.000 0.000 0.305 145 G C -1.589 172.848 174.900 -0.772 0.000 1.436 145 G CA -0.526 44.180 45.100 -0.657 0.000 1.036 145 G HN -0.060 nan 8.290 nan 0.000 0.589 146 V N 2.427 122.123 119.914 -0.363 0.000 2.567 146 V HA 0.540 4.660 4.120 -0.000 0.000 0.298 146 V C -0.803 175.341 176.094 0.084 0.000 1.047 146 V CA -1.167 60.992 62.300 -0.236 0.000 0.880 146 V CB 1.835 33.258 31.823 -0.667 0.000 1.009 146 V HN 0.782 nan 8.190 nan 0.000 0.429 147 N N 2.559 121.372 118.700 0.188 0.000 2.392 147 N HA 0.378 5.118 4.740 -0.000 0.000 0.283 147 N C 0.710 176.179 175.510 -0.068 0.000 1.003 147 N CA 0.171 53.263 53.050 0.070 0.000 0.892 147 N CB 2.405 40.855 38.487 -0.062 0.000 1.193 147 N HN 0.632 nan 8.380 nan 0.000 0.487 148 S N 2.240 117.924 115.700 -0.028 0.000 2.514 148 S HA 0.509 4.979 4.470 -0.000 0.000 0.223 148 S C 0.484 175.148 174.600 0.107 0.000 1.046 148 S CA 0.280 58.514 58.200 0.057 0.000 0.914 148 S CB 0.163 63.416 63.200 0.087 0.000 0.807 148 S HN 0.705 nan 8.310 nan 0.000 0.497 149 A N 0.717 123.611 122.820 0.123 0.000 2.566 149 A HA 0.849 5.169 4.320 -0.000 0.000 0.292 149 A C -1.169 176.559 177.584 0.240 0.000 1.112 149 A CA -0.968 51.133 52.037 0.106 0.000 0.707 149 A CB 1.078 20.162 19.000 0.138 0.000 1.302 149 A HN 1.218 nan 8.150 nan 0.000 0.409 150 F N -0.985 118.831 119.950 -0.224 0.000 2.746 150 F HA 0.625 5.152 4.527 -0.000 0.000 0.311 150 F C -1.463 174.323 175.800 -0.022 0.000 1.135 150 F CA -0.812 57.149 58.000 -0.065 0.000 0.954 150 F CB 0.874 39.811 39.000 -0.105 0.000 1.276 150 F HN 0.654 nan 8.300 nan 0.000 0.440 151 H N 1.943 121.188 119.070 0.291 0.000 2.533 151 H HA 0.821 5.377 4.556 -0.000 0.000 0.343 151 H C -1.350 174.060 175.328 0.136 0.000 1.160 151 H CA -0.678 55.488 56.048 0.196 0.000 1.218 151 H CB 2.325 32.273 29.762 0.309 0.000 1.566 151 H HN 0.859 nan 8.280 nan 0.000 0.522 152 L N 1.900 123.029 121.223 -0.157 0.000 2.455 152 L HA 0.409 4.749 4.340 -0.000 0.000 0.264 152 L C -1.871 174.714 176.870 -0.474 0.000 0.968 152 L CA -0.507 54.248 54.840 -0.141 0.000 0.827 152 L CB 1.873 43.791 42.059 -0.235 0.000 1.317 152 L HN 0.502 nan 8.230 nan 0.000 0.407 153 W N 4.029 125.301 121.300 -0.047 0.000 2.864 153 W HA 0.649 5.308 4.660 -0.000 0.000 0.343 153 W C -1.165 175.286 176.519 -0.113 0.000 1.109 153 W CA -0.827 56.460 57.345 -0.097 0.000 1.192 153 W CB 2.114 31.547 29.460 -0.044 0.000 1.426 153 W HN 0.689 nan 8.180 nan 0.000 0.529 154 C N 4.737 124.120 119.300 0.137 0.000 2.446 154 C HA 0.294 4.754 4.460 -0.000 0.000 0.329 154 C C 0.014 175.113 174.990 0.181 0.000 1.166 154 C CA -0.429 58.644 59.018 0.093 0.000 1.341 154 C CB -0.613 27.096 27.740 -0.052 0.000 1.970 154 C HN 0.795 nan 8.230 nan 0.000 0.452 155 N N 3.869 122.640 118.700 0.118 0.000 2.725 155 N HA -0.183 4.557 4.740 -0.000 0.000 0.251 155 N C 1.010 176.582 175.510 0.103 0.000 1.031 155 N CA 2.012 55.109 53.050 0.078 0.000 0.720 155 N CB -1.287 37.246 38.487 0.077 0.000 0.930 155 N HN 1.895 nan 8.380 nan 0.000 0.543 156 G N -1.205 107.641 108.800 0.077 0.000 2.234 156 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.260 156 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.260 156 G C 0.232 175.310 174.900 0.296 0.000 0.987 156 G CA 0.663 45.802 45.100 0.065 0.000 0.625 156 G HN 0.576 nan 8.290 nan 0.000 0.532 157 R N -0.729 120.013 120.500 0.403 0.000 2.297 157 R HA 0.432 4.772 4.340 -0.000 0.000 0.308 157 R C -0.051 176.569 176.300 0.534 0.000 1.029 157 R CA -0.874 55.542 56.100 0.526 0.000 0.929 157 R CB 0.608 31.235 30.300 0.546 0.000 1.046 157 R HN 0.260 nan 8.270 nan 0.000 0.461 158 W N 4.105 125.553 121.300 0.247 0.000 2.251 158 W HA 0.069 4.729 4.660 -0.000 0.000 0.327 158 W C -0.067 176.287 176.519 -0.276 0.000 1.361 158 W CA 0.057 57.123 57.345 -0.465 0.000 1.234 158 W CB 0.625 29.838 29.460 -0.413 0.000 1.212 158 W HN 0.349 nan 8.180 nan 0.000 0.557 159 V N 4.954 123.939 119.914 -1.547 0.000 2.840 159 V HA 0.585 4.705 4.120 -0.000 0.000 0.234 159 V C 0.971 176.014 176.094 -1.751 0.000 1.159 159 V CA 0.848 62.339 62.300 -1.349 0.000 1.194 159 V CB -0.332 30.790 31.823 -1.167 0.000 0.971 159 V HN 0.788 nan 8.190 nan 0.000 0.494 160 G N -1.699 105.905 108.800 -1.995 0.000 2.489 160 G HA2 0.507 4.467 3.960 -0.000 0.000 0.305 160 G HA3 0.507 4.467 3.960 -0.000 0.000 0.305 160 G C -2.455 172.173 174.900 -0.455 0.000 1.311 160 G CA -0.262 44.120 45.100 -1.196 0.000 0.813 160 G HN 0.034 nan 8.290 nan 0.000 0.480 161 Y N -0.685 119.500 120.300 -0.192 0.000 2.588 161 Y HA 0.725 5.275 4.550 -0.000 0.000 0.343 161 Y C -0.076 175.662 175.900 -0.269 0.000 1.065 161 Y CA -0.087 57.809 58.100 -0.339 0.000 1.038 161 Y CB 2.260 40.635 38.460 -0.142 0.000 1.297 161 Y HN 1.260 nan 8.280 nan 0.000 0.467 162 G N 3.091 111.112 108.800 -1.299 0.000 2.720 162 G HA2 0.575 4.535 3.960 -0.000 0.000 0.295 162 G HA3 0.575 4.535 3.960 -0.000 0.000 0.295 162 G C -2.228 172.215 174.900 -0.760 0.000 1.437 162 G CA -0.938 43.677 45.100 -0.807 0.000 0.886 162 G HN 0.620 nan 8.290 nan 0.000 0.509 163 Q N -0.217 119.385 119.800 -0.329 0.000 2.587 163 Q HA 0.613 4.953 4.340 -0.000 0.000 0.293 163 Q C -1.400 174.595 176.000 -0.007 0.000 1.083 163 Q CA -0.892 54.832 55.803 -0.131 0.000 0.792 163 Q CB 2.795 31.502 28.738 -0.053 0.000 1.484 163 Q HN 0.670 nan 8.270 nan 0.000 0.446 164 D N -0.122 120.312 120.400 0.057 0.000 4.370 164 D HA -0.101 4.539 4.640 -0.000 0.000 0.238 164 D C -0.329 176.030 176.300 0.099 0.000 1.104 164 D CA 0.667 54.718 54.000 0.084 0.000 1.101 164 D CB -0.683 40.154 40.800 0.062 0.000 0.749 164 D HN 0.568 nan 8.370 nan 0.000 0.351 165 S N 3.455 119.231 115.700 0.127 0.000 2.469 165 S HA -0.135 4.335 4.470 -0.000 0.000 0.238 165 S C 1.635 176.353 174.600 0.196 0.000 0.998 165 S CA 0.690 58.993 58.200 0.172 0.000 0.957 165 S CB 0.157 63.459 63.200 0.169 0.000 0.764 165 S HN 0.559 nan 8.310 nan 0.000 0.514 166 R N 0.028 120.614 120.500 0.143 0.000 2.334 166 R HA 0.406 4.746 4.340 -0.000 0.000 0.212 166 R C 0.043 176.398 176.300 0.092 0.000 0.897 166 R CA 0.095 56.279 56.100 0.139 0.000 1.056 166 R CB -0.067 30.336 30.300 0.171 0.000 1.046 166 R HN 0.368 nan 8.270 nan 0.000 0.513 167 L N 1.337 122.593 121.223 0.055 0.000 2.303 167 L HA 0.479 4.819 4.340 -0.000 0.000 0.266 167 L C -2.296 174.561 176.870 -0.022 0.000 1.011 167 L CA -2.412 52.433 54.840 0.009 0.000 0.818 167 L CB 1.840 43.897 42.059 -0.003 0.000 1.326 167 L HN -0.239 nan 8.230 nan 0.000 0.435 168 P HA 0.118 nan 4.420 nan 0.000 0.269 168 P C -1.119 176.166 177.300 -0.025 0.000 1.209 168 P CA -0.179 62.890 63.100 -0.052 0.000 0.776 168 P CB 0.875 32.508 31.700 -0.113 0.000 0.876 169 S N 1.420 117.163 115.700 0.072 0.000 2.502 169 S HA 0.384 4.853 4.470 -0.000 0.000 0.304 169 S C -0.636 173.987 174.600 0.039 0.000 1.097 169 S CA -0.626 57.606 58.200 0.053 0.000 1.045 169 S CB 1.045 64.398 63.200 0.255 0.000 1.019 169 S HN 0.347 nan 8.310 nan 0.000 0.481 170 E N 1.913 121.933 120.200 -0.300 0.000 2.266 170 E HA 0.648 4.998 4.350 -0.000 0.000 0.268 170 E C -1.514 174.774 176.600 -0.520 0.000 0.879 170 E CA -0.669 55.616 56.400 -0.192 0.000 0.762 170 E CB 1.690 31.373 29.700 -0.028 0.000 1.199 170 E HN 0.413 nan 8.360 nan 0.000 0.422 171 F N 0.062 120.064 119.950 0.086 0.000 2.588 171 F HA 0.265 4.791 4.527 -0.000 0.000 0.310 171 F C -0.208 175.616 175.800 0.039 0.000 1.082 171 F CA -1.304 56.720 58.000 0.041 0.000 0.929 171 F CB 1.195 40.187 39.000 -0.014 0.000 1.254 171 F HN 0.248 nan 8.300 nan 0.000 0.455 172 D N 2.176 122.731 120.400 0.257 0.000 2.336 172 D HA 0.238 4.878 4.640 -0.000 0.000 0.249 172 D C 0.520 176.951 176.300 0.218 0.000 1.213 172 D CA 0.348 54.464 54.000 0.193 0.000 0.870 172 D CB 0.964 41.864 40.800 0.166 0.000 1.076 172 D HN 0.594 nan 8.370 nan 0.000 0.483 173 L N 2.531 123.880 121.223 0.210 0.000 2.477 173 L HA -0.052 4.288 4.340 -0.000 0.000 0.220 173 L C 2.208 179.318 176.870 0.400 0.000 1.106 173 L CA -0.046 54.941 54.840 0.246 0.000 0.851 173 L CB -0.077 42.102 42.059 0.200 0.000 0.994 173 L HN 0.340 nan 8.230 nan 0.000 0.462 174 S N 1.125 116.998 115.700 0.287 0.000 2.461 174 S HA -0.366 4.104 4.470 -0.000 0.000 0.266 174 S C 1.789 176.514 174.600 0.208 0.000 1.138 174 S CA 2.128 60.463 58.200 0.224 0.000 1.146 174 S CB -0.316 62.973 63.200 0.148 0.000 1.042 174 S HN 0.588 nan 8.310 nan 0.000 0.448 175 A N -1.002 121.950 122.820 0.220 0.000 2.278 175 A HA 0.419 4.739 4.320 -0.000 0.000 0.212 175 A C 0.962 178.446 177.584 -0.166 0.000 1.213 175 A CA 0.147 52.161 52.037 -0.038 0.000 0.840 175 A CB -0.268 18.567 19.000 -0.275 0.000 0.866 175 A HN 0.484 nan 8.150 nan 0.000 0.489 176 F N -1.054 118.935 119.950 0.065 0.000 2.767 176 F HA 0.374 4.901 4.527 -0.000 0.000 0.323 176 F C 0.469 176.301 175.800 0.053 0.000 1.091 176 F CA -0.678 57.357 58.000 0.058 0.000 1.192 176 F CB -0.035 39.003 39.000 0.063 0.000 1.056 176 F HN -0.063 nan 8.300 nan 0.000 0.571 177 L N 1.821 123.210 121.223 0.278 0.000 2.417 177 L HA 0.422 4.761 4.340 -0.000 0.000 0.268 177 L C 0.260 177.182 176.870 0.088 0.000 1.158 177 L CA -0.203 54.737 54.840 0.167 0.000 0.819 177 L CB 0.786 42.962 42.059 0.196 0.000 1.112 177 L HN 0.021 nan 8.230 nan 0.000 0.458 178 R N 1.257 121.771 120.500 0.023 0.000 2.854 178 R HA 0.685 5.025 4.340 -0.000 0.000 0.271 178 R C -0.687 175.592 176.300 -0.036 0.000 0.996 178 R CA -0.943 55.152 56.100 -0.008 0.000 0.961 178 R CB 1.841 32.120 30.300 -0.035 0.000 1.182 178 R HN 0.700 nan 8.270 nan 0.000 0.479 179 A N 0.904 123.706 122.820 -0.030 0.000 2.407 179 A HA 0.547 4.867 4.320 -0.000 0.000 0.248 179 A C 0.943 178.476 177.584 -0.084 0.000 1.082 179 A CA 0.839 52.848 52.037 -0.047 0.000 0.785 179 A CB -0.118 18.865 19.000 -0.030 0.000 1.020 179 A HN 0.897 nan 8.150 nan 0.000 0.489 180 G N 0.805 109.542 108.800 -0.106 0.000 2.536 180 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.277 180 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.277 180 G C 0.137 174.916 174.900 -0.202 0.000 1.155 180 G CA 0.362 45.385 45.100 -0.129 0.000 0.960 180 G HN 1.005 nan 8.290 nan 0.000 0.544 181 E N 2.410 122.497 120.200 -0.189 0.000 2.265 181 E HA 0.266 4.616 4.350 -0.000 0.000 0.272 181 E C -0.063 176.336 176.600 -0.335 0.000 1.067 181 E CA -0.030 56.221 56.400 -0.249 0.000 0.900 181 E CB 0.008 29.610 29.700 -0.164 0.000 1.017 181 E HN 0.387 nan 8.360 nan 0.000 0.431 182 N N 3.085 121.414 118.700 -0.619 0.000 2.328 182 N HA 0.415 5.155 4.740 -0.000 0.000 0.299 182 N C -0.758 174.432 175.510 -0.534 0.000 1.179 182 N CA -0.671 51.986 53.050 -0.655 0.000 0.793 182 N CB 2.207 40.152 38.487 -0.903 0.000 1.366 182 N HN 0.287 nan 8.380 nan 0.000 0.493 183 R N 1.613 121.999 120.500 -0.191 0.000 2.538 183 R HA 0.422 4.762 4.340 -0.000 0.000 0.292 183 R C -1.317 175.054 176.300 0.118 0.000 1.008 183 R CA -0.477 55.623 56.100 0.000 0.000 0.896 183 R CB 1.065 31.327 30.300 -0.064 0.000 1.187 183 R HN 0.509 nan 8.270 nan 0.000 0.440 184 L N 2.940 124.297 121.223 0.222 0.000 2.325 184 L HA 0.726 5.066 4.340 -0.000 0.000 0.279 184 L C -0.075 176.884 176.870 0.148 0.000 1.054 184 L CA -0.917 54.047 54.840 0.206 0.000 0.804 184 L CB 1.813 44.020 42.059 0.247 0.000 1.200 184 L HN 0.664 nan 8.230 nan 0.000 0.436 185 A N 3.224 126.136 122.820 0.152 0.000 2.375 185 A HA 0.688 5.008 4.320 -0.000 0.000 0.291 185 A C -0.869 177.027 177.584 0.519 0.000 1.160 185 A CA -0.442 51.627 52.037 0.053 0.000 0.747 185 A CB 1.335 19.758 19.000 -0.962 0.000 1.170 185 A HN 0.390 nan 8.150 nan 0.000 0.458 186 V N 3.430 123.818 119.914 0.789 0.000 2.357 186 V HA 0.485 4.605 4.120 -0.000 0.000 0.284 186 V C 0.113 176.708 176.094 0.835 0.000 1.018 186 V CA -0.313 62.432 62.300 0.741 0.000 0.841 186 V CB 1.345 33.426 31.823 0.430 0.000 0.991 186 V HN 0.948 nan 8.190 nan 0.000 0.437 187 M N 6.120 126.212 119.600 0.821 0.000 2.088 187 M HA 0.600 5.080 4.480 -0.000 0.000 0.346 187 M C -1.436 175.118 176.300 0.424 0.000 1.111 187 M CA -0.331 55.286 55.300 0.529 0.000 1.017 187 M CB 1.287 34.240 32.600 0.588 0.000 1.568 187 M HN 0.476 nan 8.290 nan 0.000 0.445 188 V N 6.735 126.839 119.914 0.317 0.000 2.483 188 V HA 0.502 4.622 4.120 -0.000 0.000 0.295 188 V C -0.207 176.038 176.094 0.251 0.000 1.035 188 V CA -0.775 61.704 62.300 0.298 0.000 0.896 188 V CB 1.569 33.590 31.823 0.330 0.000 0.986 188 V HN 0.816 nan 8.190 nan 0.000 0.447 189 L N 3.088 124.403 121.223 0.153 0.000 2.334 189 L HA 0.664 5.004 4.340 -0.000 0.000 0.276 189 L C 1.193 178.026 176.870 -0.062 0.000 1.014 189 L CA -0.782 54.077 54.840 0.031 0.000 0.815 189 L CB 1.566 43.540 42.059 -0.142 0.000 1.268 189 L HN 0.468 nan 8.230 nan 0.000 0.428 190 R N 1.607 121.969 120.500 -0.231 0.000 2.075 190 R HA -0.006 4.334 4.340 -0.000 0.000 0.230 190 R C -0.278 175.638 176.300 -0.641 0.000 1.140 190 R CA 1.750 57.418 56.100 -0.720 0.000 0.928 190 R CB 0.064 29.590 30.300 -1.290 0.000 0.834 190 R HN 0.628 nan 8.270 nan 0.000 0.429 191 W N 0.297 121.651 121.300 0.091 0.000 2.449 191 W HA 0.320 4.979 4.660 -0.000 0.000 0.331 191 W C 0.061 176.689 176.519 0.182 0.000 1.119 191 W CA -0.787 56.621 57.345 0.106 0.000 1.240 191 W CB 1.311 30.836 29.460 0.108 0.000 1.251 191 W HN 0.083 nan 8.180 nan 0.000 0.576 192 S N -1.010 114.975 115.700 0.474 0.000 2.643 192 S HA 0.204 4.674 4.470 -0.000 0.000 0.270 192 S C 0.063 174.915 174.600 0.420 0.000 1.166 192 S CA -0.511 57.975 58.200 0.477 0.000 0.815 192 S CB 1.231 64.670 63.200 0.398 0.000 1.139 192 S HN 0.614 nan 8.310 nan 0.000 0.472 193 D N 0.567 121.215 120.400 0.414 0.000 2.218 193 D HA 0.062 4.702 4.640 -0.000 0.000 0.204 193 D C 1.840 178.434 176.300 0.491 0.000 0.976 193 D CA 1.197 55.474 54.000 0.462 0.000 0.853 193 D CB -0.798 40.161 40.800 0.265 0.000 0.939 193 D HN 0.713 nan 8.370 nan 0.000 0.481 194 G N 0.098 109.110 108.800 0.352 0.000 2.462 194 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.220 194 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.220 194 G C 1.742 176.817 174.900 0.293 0.000 1.121 194 G CA 0.874 46.154 45.100 0.300 0.000 0.758 194 G HN 0.316 nan 8.290 nan 0.000 0.559 195 S N -0.108 115.756 115.700 0.273 0.000 2.383 195 S HA -0.119 4.351 4.470 -0.000 0.000 0.229 195 S C 1.955 176.654 174.600 0.166 0.000 1.030 195 S CA 0.939 59.264 58.200 0.208 0.000 1.002 195 S CB -0.424 62.898 63.200 0.203 0.000 0.829 195 S HN 0.562 nan 8.310 nan 0.000 0.467 196 Y N 1.132 121.527 120.300 0.159 0.000 2.483 196 Y HA 0.027 4.577 4.550 -0.000 0.000 0.291 196 Y C 1.536 177.534 175.900 0.162 0.000 1.143 196 Y CA 0.619 58.738 58.100 0.032 0.000 1.289 196 Y CB -0.218 38.155 38.460 -0.145 0.000 0.983 196 Y HN 0.196 nan 8.280 nan 0.000 0.556 197 L N -0.011 121.403 121.223 0.318 0.000 2.700 197 L HA 0.121 4.461 4.340 -0.000 0.000 0.234 197 L C -0.004 177.009 176.870 0.237 0.000 1.156 197 L CA 0.371 55.355 54.840 0.241 0.000 0.946 197 L CB -0.005 42.191 42.059 0.228 0.000 1.216 197 L HN 0.204 nan 8.230 nan 0.000 0.493 198 E N -0.474 119.886 120.200 0.266 0.000 3.646 198 E HA 0.045 4.395 4.350 -0.000 0.000 0.211 198 E C -0.444 176.278 176.600 0.204 0.000 1.034 198 E CA -0.095 56.446 56.400 0.235 0.000 1.341 198 E CB 0.470 30.300 29.700 0.217 0.000 1.202 198 E HN 0.019 nan 8.360 nan 0.000 0.447 199 D N 1.383 121.870 120.400 0.145 0.000 2.519 199 D HA 0.005 4.645 4.640 -0.000 0.000 0.238 199 D C -0.221 176.083 176.300 0.006 0.000 1.192 199 D CA -0.009 53.964 54.000 -0.045 0.000 0.835 199 D CB 0.066 40.603 40.800 -0.437 0.000 0.975 199 D HN 0.083 nan 8.370 nan 0.000 0.490 200 Q N 0.510 120.399 119.800 0.149 0.000 2.361 200 Q HA 0.070 4.410 4.340 -0.000 0.000 0.276 200 Q C -0.036 176.085 176.000 0.202 0.000 1.022 200 Q CA 0.170 56.124 55.803 0.252 0.000 0.898 200 Q CB 0.556 29.578 28.738 0.473 0.000 1.246 200 Q HN 0.052 nan 8.270 nan 0.000 0.410 201 D N 3.393 123.943 120.400 0.251 0.000 2.489 201 D HA 0.136 4.776 4.640 -0.000 0.000 0.237 201 D C -0.788 175.695 176.300 0.305 0.000 1.212 201 D CA 0.222 54.356 54.000 0.223 0.000 1.058 201 D CB -0.415 40.545 40.800 0.268 0.000 1.098 201 D HN 0.482 nan 8.370 nan 0.000 0.509 202 M N 0.079 119.800 119.600 0.203 0.000 3.008 202 M HA 0.453 4.932 4.480 -0.000 0.000 0.271 202 M C -1.205 175.201 176.300 0.177 0.000 1.265 202 M CA -1.212 54.158 55.300 0.118 0.000 0.817 202 M CB 1.144 33.718 32.600 -0.043 0.000 1.638 202 M HN -0.104 nan 8.290 nan 0.000 0.479 203 W N 1.974 123.361 121.300 0.145 0.000 2.216 203 W HA 0.392 5.052 4.660 -0.000 0.000 0.326 203 W C 0.127 176.655 176.519 0.016 0.000 1.319 203 W CA -0.277 57.135 57.345 0.111 0.000 1.213 203 W CB 0.549 30.019 29.460 0.016 0.000 1.171 203 W HN 0.255 nan 8.180 nan 0.000 0.557 204 R N 5.005 125.689 120.500 0.307 0.000 2.204 204 R HA 0.401 4.741 4.340 -0.000 0.000 0.341 204 R C -0.166 176.159 176.300 0.042 0.000 1.035 204 R CA -0.192 56.009 56.100 0.167 0.000 0.887 204 R CB 0.245 30.687 30.300 0.237 0.000 1.114 204 R HN 0.578 nan 8.270 nan 0.000 0.473 205 M N 0.368 119.891 119.600 -0.128 0.000 2.655 205 M HA 0.506 4.986 4.480 -0.000 0.000 0.271 205 M C -0.137 175.851 176.300 -0.519 0.000 1.013 205 M CA -0.727 54.377 55.300 -0.326 0.000 0.994 205 M CB 1.994 34.388 32.600 -0.343 0.000 1.585 205 M HN 0.659 nan 8.290 nan 0.000 0.569 206 S N -1.352 113.921 115.700 -0.711 0.000 2.611 206 S HA 0.848 5.318 4.470 -0.000 0.000 0.270 206 S C -0.629 173.547 174.600 -0.706 0.000 1.131 206 S CA -0.328 57.368 58.200 -0.839 0.000 0.826 206 S CB 1.444 63.955 63.200 -1.147 0.000 1.095 206 S HN 1.427 nan 8.310 nan 0.000 0.461 207 G N 0.244 108.838 108.800 -0.343 0.000 2.318 207 G HA2 0.157 4.116 3.960 -0.000 0.000 0.367 207 G HA3 0.157 4.116 3.960 -0.000 0.000 0.367 207 G C -1.508 173.385 174.900 -0.012 0.000 1.260 207 G CA -0.542 44.583 45.100 0.041 0.000 1.055 207 G HN 1.235 nan 8.290 nan 0.000 0.484 208 I N 2.162 122.615 120.570 -0.196 0.000 2.316 208 I HA 0.307 4.477 4.170 -0.000 0.000 0.286 208 I C 1.012 177.008 176.117 -0.200 0.000 1.107 208 I CA -0.310 60.768 61.300 -0.370 0.000 1.219 208 I CB -0.030 37.546 38.000 -0.706 0.000 1.455 208 I HN 0.514 nan 8.210 nan 0.000 0.498 209 F N 3.978 123.798 119.950 -0.218 0.000 2.727 209 F HA 0.427 4.954 4.527 -0.000 0.000 0.302 209 F C 0.697 176.433 175.800 -0.107 0.000 1.097 209 F CA -0.526 57.378 58.000 -0.160 0.000 1.330 209 F CB 0.071 38.974 39.000 -0.161 0.000 1.084 209 F HN 0.120 nan 8.300 nan 0.000 0.578 210 R N 0.683 120.784 120.500 -0.666 0.000 2.912 210 R HA 0.260 4.600 4.340 -0.000 0.000 0.262 210 R C -1.002 175.135 176.300 -0.271 0.000 1.057 210 R CA -1.158 54.701 56.100 -0.401 0.000 0.981 210 R CB 0.562 30.611 30.300 -0.418 0.000 1.201 210 R HN -0.032 nan 8.270 nan 0.000 0.484 211 D N 0.779 121.082 120.400 -0.162 0.000 2.474 211 D HA 0.091 4.731 4.640 -0.000 0.000 0.232 211 D C -0.274 175.922 176.300 -0.173 0.000 1.177 211 D CA 0.434 54.357 54.000 -0.129 0.000 0.876 211 D CB 0.403 41.164 40.800 -0.066 0.000 1.208 211 D HN 0.064 nan 8.370 nan 0.000 0.464 212 V N 0.927 120.747 119.914 -0.157 0.000 2.540 212 V HA 0.652 4.772 4.120 -0.000 0.000 0.302 212 V C -0.143 175.857 176.094 -0.156 0.000 1.035 212 V CA -0.592 61.570 62.300 -0.231 0.000 0.873 212 V CB 1.606 33.305 31.823 -0.207 0.000 0.992 212 V HN 0.751 nan 8.190 nan 0.000 0.428 213 S N 4.493 120.062 115.700 -0.219 0.000 2.625 213 S HA 0.827 5.297 4.470 -0.000 0.000 0.271 213 S C -1.246 173.306 174.600 -0.081 0.000 1.161 213 S CA -0.953 57.183 58.200 -0.106 0.000 0.820 213 S CB 1.924 65.092 63.200 -0.055 0.000 1.137 213 S HN 0.469 nan 8.310 nan 0.000 0.470 214 L N 1.301 122.542 121.223 0.030 0.000 2.386 214 L HA 0.697 5.037 4.340 -0.000 0.000 0.271 214 L C -1.590 175.390 176.870 0.183 0.000 0.993 214 L CA -0.790 54.133 54.840 0.138 0.000 0.819 214 L CB 1.868 44.097 42.059 0.283 0.000 1.294 214 L HN 0.672 nan 8.230 nan 0.000 0.414 215 L N 2.397 123.687 121.223 0.112 0.000 2.409 215 L HA 0.488 4.828 4.340 -0.000 0.000 0.272 215 L C -1.058 175.717 176.870 -0.159 0.000 0.980 215 L CA -0.286 54.552 54.840 -0.003 0.000 0.826 215 L CB 1.661 43.724 42.059 0.006 0.000 1.268 215 L HN 0.486 nan 8.230 nan 0.000 0.407 216 H N 4.034 122.775 119.070 -0.548 0.000 2.556 216 H HA 0.582 5.138 4.556 -0.000 0.000 0.310 216 H C -1.158 173.883 175.328 -0.478 0.000 1.057 216 H CA -0.142 55.416 56.048 -0.816 0.000 1.264 216 H CB 0.964 29.636 29.762 -1.816 0.000 1.404 216 H HN 0.617 nan 8.280 nan 0.000 0.462 217 K N 5.426 125.332 120.400 -0.823 0.000 2.435 217 K HA 0.418 4.738 4.320 -0.000 0.000 0.251 217 K C -2.742 173.505 176.600 -0.589 0.000 0.954 217 K CA -2.461 53.490 56.287 -0.560 0.000 0.820 217 K CB 1.809 34.090 32.500 -0.365 0.000 1.292 217 K HN 0.415 nan 8.250 nan 0.000 0.436 218 P HA -0.011 nan 4.420 nan 0.000 0.271 218 P C 0.148 177.317 177.300 -0.219 0.000 1.233 218 P CA -0.100 62.850 63.100 -0.250 0.000 0.789 218 P CB 0.444 32.050 31.700 -0.156 0.000 0.951 219 T N -2.979 111.484 114.554 -0.152 0.000 2.942 219 T HA -0.019 4.331 4.350 -0.000 0.000 0.265 219 T C 0.687 175.312 174.700 -0.125 0.000 1.062 219 T CA 1.183 63.209 62.100 -0.123 0.000 1.139 219 T CB -0.696 68.125 68.868 -0.079 0.000 0.883 219 T HN 0.308 nan 8.240 nan 0.000 0.468 220 T N 3.404 117.884 114.554 -0.124 0.000 2.853 220 T HA 0.442 4.792 4.350 -0.000 0.000 0.317 220 T C -0.338 174.270 174.700 -0.154 0.000 1.059 220 T CA -0.785 61.231 62.100 -0.140 0.000 0.954 220 T CB 0.712 69.504 68.868 -0.127 0.000 0.994 220 T HN 0.557 nan 8.240 nan 0.000 0.479 221 Q N 2.781 122.474 119.800 -0.179 0.000 2.683 221 Q HA 0.583 4.923 4.340 -0.000 0.000 0.302 221 Q C -1.030 174.850 176.000 -0.200 0.000 1.042 221 Q CA -1.172 54.511 55.803 -0.199 0.000 0.773 221 Q CB 1.400 29.987 28.738 -0.253 0.000 1.508 221 Q HN 0.427 nan 8.270 nan 0.000 0.459 222 I N 2.757 123.184 120.570 -0.239 0.000 2.436 222 I HA -0.021 4.149 4.170 -0.000 0.000 0.289 222 I C 0.984 176.902 176.117 -0.332 0.000 1.083 222 I CA 0.111 61.279 61.300 -0.221 0.000 1.372 222 I CB 1.026 38.860 38.000 -0.277 0.000 1.408 222 I HN 0.832 nan 8.210 nan 0.000 0.516 223 S N 3.127 118.747 115.700 -0.134 0.000 2.503 223 S HA 0.128 4.598 4.470 -0.000 0.000 0.217 223 S C 0.265 174.998 174.600 0.223 0.000 0.999 223 S CA -0.105 58.060 58.200 -0.058 0.000 0.914 223 S CB 0.239 63.425 63.200 -0.023 0.000 0.782 223 S HN 0.735 nan 8.310 nan 0.000 0.520 224 D N -0.609 119.966 120.400 0.292 0.000 2.766 224 D HA 0.440 5.079 4.640 -0.000 0.000 0.244 224 D C -1.769 174.754 176.300 0.372 0.000 1.198 224 D CA -0.698 53.558 54.000 0.427 0.000 0.739 224 D CB 1.125 42.058 40.800 0.221 0.000 1.379 224 D HN 0.248 nan 8.370 nan 0.000 0.437 225 F N -0.434 119.561 119.950 0.074 0.000 2.678 225 F HA 0.705 5.232 4.527 -0.000 0.000 0.308 225 F C -1.538 174.288 175.800 0.044 0.000 1.118 225 F CA -0.785 57.163 58.000 -0.086 0.000 0.959 225 F CB 1.409 40.418 39.000 0.015 0.000 1.305 225 F HN 0.298 nan 8.300 nan 0.000 0.443 226 H N 1.003 120.076 119.070 0.004 0.000 2.768 226 H HA 0.788 5.344 4.556 -0.000 0.000 0.371 226 H C -1.366 173.950 175.328 -0.020 0.000 1.151 226 H CA -1.520 54.456 56.048 -0.119 0.000 1.165 226 H CB 2.687 32.400 29.762 -0.082 0.000 1.722 226 H HN 0.616 nan 8.280 nan 0.000 0.543 227 V N 1.166 121.127 119.914 0.078 0.000 2.815 227 V HA 0.827 4.947 4.120 -0.000 0.000 0.314 227 V C -0.494 175.579 176.094 -0.035 0.000 1.064 227 V CA -0.584 61.728 62.300 0.021 0.000 0.952 227 V CB 1.679 33.493 31.823 -0.015 0.000 1.020 227 V HN 0.973 nan 8.190 nan 0.000 0.439 228 A N 1.972 124.751 122.820 -0.069 0.000 2.547 228 A HA 0.831 5.150 4.320 -0.000 0.000 0.297 228 A C -0.481 177.012 177.584 -0.151 0.000 1.056 228 A CA -0.392 51.592 52.037 -0.089 0.000 0.688 228 A CB 2.034 21.006 19.000 -0.046 0.000 1.282 228 A HN 0.933 nan 8.150 nan 0.000 0.400 229 T N 0.038 114.494 114.554 -0.163 0.000 2.807 229 T HA 0.795 5.145 4.350 -0.000 0.000 0.279 229 T C -0.376 174.157 174.700 -0.279 0.000 0.993 229 T CA -0.694 61.241 62.100 -0.275 0.000 0.970 229 T CB 1.262 69.927 68.868 -0.339 0.000 0.950 229 T HN 0.703 nan 8.240 nan 0.000 0.441 230 R N 1.646 121.879 120.500 -0.444 0.000 2.740 230 R HA 0.768 5.108 4.340 -0.000 0.000 0.282 230 R C -1.248 174.676 176.300 -0.625 0.000 0.969 230 R CA -0.747 55.162 56.100 -0.317 0.000 0.918 230 R CB 1.606 31.825 30.300 -0.135 0.000 1.175 230 R HN 0.555 nan 8.270 nan 0.000 0.464 231 F N 0.062 120.004 119.950 -0.014 0.000 2.640 231 F HA 0.360 4.887 4.527 -0.000 0.000 0.324 231 F C 0.362 176.041 175.800 -0.200 0.000 1.077 231 F CA -1.272 56.668 58.000 -0.101 0.000 0.965 231 F CB 0.850 39.710 39.000 -0.233 0.000 1.351 231 F HN 0.506 nan 8.300 nan 0.000 0.487 232 N N -0.209 118.489 118.700 -0.004 0.000 2.327 232 N HA 0.085 4.825 4.740 -0.000 0.000 0.257 232 N C 0.487 175.850 175.510 -0.246 0.000 1.281 232 N CA -0.215 52.784 53.050 -0.086 0.000 0.942 232 N CB 0.079 38.537 38.487 -0.048 0.000 1.199 232 N HN 0.647 nan 8.380 nan 0.000 0.532 233 D N -1.559 118.740 120.400 -0.169 0.000 2.265 233 D HA -0.226 4.414 4.640 -0.000 0.000 0.208 233 D C 0.110 176.278 176.300 -0.221 0.000 0.977 233 D CA 1.347 55.237 54.000 -0.183 0.000 0.871 233 D CB -0.421 40.340 40.800 -0.066 0.000 0.925 233 D HN 0.752 nan 8.370 nan 0.000 0.485 234 D N -1.494 118.809 120.400 -0.160 0.000 2.513 234 D HA -0.002 4.638 4.640 -0.000 0.000 0.222 234 D C 0.245 176.665 176.300 0.200 0.000 1.210 234 D CA -0.858 53.172 54.000 0.049 0.000 0.825 234 D CB -1.070 39.782 40.800 0.088 0.000 1.037 234 D HN 0.161 nan 8.370 nan 0.000 0.506 235 F N 0.715 120.723 119.950 0.097 0.000 3.006 235 F HA -0.301 4.226 4.527 -0.000 0.000 0.289 235 F C 1.787 177.669 175.800 0.136 0.000 0.772 235 F CA 0.801 58.881 58.000 0.133 0.000 1.162 235 F CB -2.476 36.504 39.000 -0.033 0.000 1.382 235 F HN 0.210 nan 8.300 nan 0.000 0.406 236 S N -0.413 115.397 115.700 0.183 0.000 2.522 236 S HA 0.120 4.590 4.470 -0.000 0.000 0.227 236 S C 0.701 175.357 174.600 0.092 0.000 0.986 236 S CA 0.756 59.031 58.200 0.124 0.000 0.929 236 S CB 0.356 63.602 63.200 0.077 0.000 0.769 236 S HN 0.587 nan 8.310 nan 0.000 0.529 237 R N -0.402 120.164 120.500 0.110 0.000 2.594 237 R HA 0.645 4.985 4.340 -0.000 0.000 0.265 237 R C -1.707 174.616 176.300 0.039 0.000 1.070 237 R CA -0.042 56.086 56.100 0.046 0.000 0.909 237 R CB 1.371 31.675 30.300 0.007 0.000 1.243 237 R HN 0.232 nan 8.270 nan 0.000 0.455 238 A N 2.488 125.269 122.820 -0.065 0.000 2.479 238 A HA 0.786 5.106 4.320 -0.000 0.000 0.296 238 A C -1.451 176.039 177.584 -0.157 0.000 1.121 238 A CA -0.677 51.236 52.037 -0.206 0.000 0.743 238 A CB 2.227 21.073 19.000 -0.255 0.000 1.323 238 A HN 0.362 nan 8.150 nan 0.000 0.415 239 V N 1.387 121.181 119.914 -0.200 0.000 2.483 239 V HA 0.426 4.546 4.120 -0.000 0.000 0.297 239 V C -1.033 175.004 176.094 -0.096 0.000 1.027 239 V CA -0.468 61.762 62.300 -0.117 0.000 0.855 239 V CB 1.356 33.112 31.823 -0.111 0.000 0.995 239 V HN 0.807 nan 8.190 nan 0.000 0.424 240 L N 5.229 126.432 121.223 -0.034 0.000 2.275 240 L HA 0.629 4.969 4.340 -0.000 0.000 0.288 240 L C -0.120 176.712 176.870 -0.063 0.000 1.046 240 L CA 0.181 54.985 54.840 -0.060 0.000 0.805 240 L CB 1.196 43.242 42.059 -0.022 0.000 1.193 240 L HN 0.857 nan 8.230 nan 0.000 0.426 241 E N 4.827 124.985 120.200 -0.071 0.000 2.218 241 E HA 0.752 5.102 4.350 -0.000 0.000 0.263 241 E C -1.792 174.795 176.600 -0.021 0.000 0.879 241 E CA -0.832 55.541 56.400 -0.046 0.000 0.762 241 E CB 1.567 31.238 29.700 -0.047 0.000 1.166 241 E HN 0.844 nan 8.360 nan 0.000 0.415 242 A N 4.384 127.198 122.820 -0.010 0.000 2.331 242 A HA 0.444 4.764 4.320 -0.000 0.000 0.320 242 A C -0.848 176.735 177.584 -0.003 0.000 1.138 242 A CA -0.708 51.344 52.037 0.026 0.000 0.790 242 A CB 1.459 20.485 19.000 0.044 0.000 1.206 242 A HN 0.735 nan 8.150 nan 0.000 0.470 243 E N 2.327 122.527 120.200 0.000 0.000 2.176 243 E HA 0.575 4.925 4.350 -0.000 0.000 0.267 243 E C -1.651 174.888 176.600 -0.102 0.000 0.893 243 E CA -0.409 55.944 56.400 -0.078 0.000 0.761 243 E CB 1.600 31.235 29.700 -0.108 0.000 1.133 243 E HN 0.410 nan 8.360 nan 0.000 0.409 244 V N 4.271 124.136 119.914 -0.082 0.000 2.604 244 V HA 0.362 4.482 4.120 -0.000 0.000 0.305 244 V C -0.499 175.622 176.094 0.046 0.000 1.043 244 V CA -0.808 61.480 62.300 -0.019 0.000 0.888 244 V CB 1.771 33.556 31.823 -0.063 0.000 0.995 244 V HN 0.694 nan 8.190 nan 0.000 0.429 245 Q N 4.134 123.988 119.800 0.090 0.000 2.377 245 Q HA 0.824 5.164 4.340 -0.000 0.000 0.271 245 Q C -0.848 175.231 176.000 0.131 0.000 1.077 245 Q CA -0.856 55.028 55.803 0.135 0.000 0.820 245 Q CB 2.846 31.595 28.738 0.018 0.000 1.347 245 Q HN 0.848 nan 8.270 nan 0.000 0.444 246 M N -0.878 118.756 119.600 0.056 0.000 2.664 246 M HA 0.762 5.242 4.480 -0.000 0.000 0.314 246 M C -1.301 174.893 176.300 -0.177 0.000 1.200 246 M CA -0.428 54.790 55.300 -0.136 0.000 0.916 246 M CB 2.039 34.362 32.600 -0.461 0.000 1.717 246 M HN 0.561 nan 8.290 nan 0.000 0.470 247 C N 1.424 120.618 119.300 -0.177 0.000 2.614 247 C HA 1.023 5.483 4.460 -0.000 0.000 0.320 247 C C 0.588 175.474 174.990 -0.174 0.000 1.200 247 C CA 0.893 59.822 59.018 -0.149 0.000 1.700 247 C CB 1.033 28.705 27.740 -0.114 0.000 2.275 247 C HN 1.354 nan 8.230 nan 0.000 0.492 248 G N 3.386 112.099 108.800 -0.145 0.000 2.396 248 G HA2 0.121 4.081 3.960 -0.000 0.000 0.254 248 G HA3 0.121 4.081 3.960 -0.000 0.000 0.254 248 G C -1.505 173.309 174.900 -0.144 0.000 1.248 248 G CA -0.291 44.726 45.100 -0.138 0.000 1.033 248 G HN 0.854 nan 8.290 nan 0.000 0.502 249 E N -0.340 119.782 120.200 -0.129 0.000 2.166 249 E HA 0.712 5.062 4.350 -0.000 0.000 0.275 249 E C 0.020 176.515 176.600 -0.176 0.000 0.941 249 E CA -0.958 55.364 56.400 -0.130 0.000 0.784 249 E CB 2.001 31.654 29.700 -0.079 0.000 1.115 249 E HN 0.632 nan 8.360 nan 0.000 0.399 250 L N 3.489 124.595 121.223 -0.193 0.000 2.455 250 L HA 0.258 4.598 4.340 -0.000 0.000 0.272 250 L C -0.069 176.678 176.870 -0.206 0.000 1.174 250 L CA 0.147 54.842 54.840 -0.241 0.000 0.869 250 L CB 0.228 42.166 42.059 -0.203 0.000 1.130 250 L HN 0.477 nan 8.230 nan 0.000 0.474 251 R N 2.682 122.998 120.500 -0.306 0.000 2.548 251 R HA 0.115 4.455 4.340 -0.000 0.000 0.280 251 R C 0.062 176.136 176.300 -0.376 0.000 1.061 251 R CA -0.617 55.280 56.100 -0.339 0.000 0.915 251 R CB 1.588 31.479 30.300 -0.682 0.000 1.210 251 R HN 0.713 nan 8.270 nan 0.000 0.442 252 D N 1.781 122.104 120.400 -0.129 0.000 2.393 252 D HA -0.205 4.435 4.640 -0.000 0.000 0.220 252 D C 0.885 177.191 176.300 0.009 0.000 0.974 252 D CA 1.462 55.446 54.000 -0.026 0.000 0.931 252 D CB -0.052 40.784 40.800 0.061 0.000 0.889 252 D HN 0.714 nan 8.370 nan 0.000 0.512 253 Y N -0.693 119.611 120.300 0.007 0.000 2.457 253 Y HA 0.393 4.943 4.550 -0.000 0.000 0.263 253 Y C 0.958 176.857 175.900 -0.001 0.000 1.164 253 Y CA -0.937 57.168 58.100 0.008 0.000 1.274 253 Y CB -0.321 38.145 38.460 0.010 0.000 1.097 253 Y HN -0.222 nan 8.280 nan 0.000 0.523 254 L N 2.945 123.983 121.223 -0.308 0.000 2.397 254 L HA 0.363 4.703 4.340 -0.000 0.000 0.271 254 L C 0.204 177.017 176.870 -0.095 0.000 1.148 254 L CA -0.100 54.623 54.840 -0.195 0.000 0.825 254 L CB 0.609 42.561 42.059 -0.178 0.000 1.117 254 L HN 0.251 nan 8.230 nan 0.000 0.456 255 R N 2.076 122.427 120.500 -0.248 0.000 2.799 255 R HA 0.749 5.089 4.340 -0.000 0.000 0.270 255 R C -1.543 174.434 176.300 -0.538 0.000 1.010 255 R CA -0.833 55.026 56.100 -0.403 0.000 0.916 255 R CB 2.389 32.417 30.300 -0.453 0.000 1.228 255 R HN 0.283 nan 8.270 nan 0.000 0.469 256 V N 0.789 120.481 119.914 -0.370 0.000 2.686 256 V HA 0.490 4.610 4.120 -0.000 0.000 0.306 256 V C -0.617 175.455 176.094 -0.037 0.000 1.065 256 V CA -0.609 61.551 62.300 -0.233 0.000 0.894 256 V CB 2.422 34.033 31.823 -0.353 0.000 1.004 256 V HN 0.788 nan 8.190 nan 0.000 0.424 257 T N 3.576 118.185 114.554 0.092 0.000 2.861 257 T HA 0.721 5.071 4.350 -0.000 0.000 0.287 257 T C -0.854 173.853 174.700 0.011 0.000 1.003 257 T CA -0.535 61.615 62.100 0.084 0.000 0.977 257 T CB 1.921 70.874 68.868 0.142 0.000 0.996 257 T HN 0.374 nan 8.240 nan 0.000 0.448 258 V N 3.064 122.969 119.914 -0.015 0.000 2.577 258 V HA 0.694 4.814 4.120 -0.000 0.000 0.303 258 V C -0.438 175.639 176.094 -0.027 0.000 1.042 258 V CA -0.870 61.416 62.300 -0.023 0.000 0.872 258 V CB 1.869 33.668 31.823 -0.040 0.000 0.998 258 V HN 1.077 nan 8.190 nan 0.000 0.423 259 S N 5.037 120.737 115.700 0.001 0.000 2.526 259 S HA 0.862 5.332 4.470 -0.000 0.000 0.293 259 S C -1.139 173.435 174.600 -0.044 0.000 1.092 259 S CA -0.770 57.387 58.200 -0.071 0.000 0.980 259 S CB 2.385 65.579 63.200 -0.011 0.000 1.048 259 S HN 0.474 nan 8.310 nan 0.000 0.483 260 L N 2.101 123.190 121.223 -0.225 0.000 2.322 260 L HA 0.731 5.071 4.340 -0.000 0.000 0.281 260 L C -1.840 174.863 176.870 -0.278 0.000 1.014 260 L CA -0.459 54.328 54.840 -0.089 0.000 0.815 260 L CB 0.798 42.830 42.059 -0.045 0.000 1.247 260 L HN 0.891 nan 8.230 nan 0.000 0.421 261 W N 3.272 124.667 121.300 0.158 0.000 2.736 261 W HA 0.574 5.234 4.660 -0.000 0.000 0.335 261 W C -0.488 176.160 176.519 0.214 0.000 1.059 261 W CA -0.580 56.853 57.345 0.147 0.000 1.226 261 W CB 1.619 31.121 29.460 0.070 0.000 1.416 261 W HN 0.434 nan 8.180 nan 0.000 0.505 262 Q N 2.667 122.717 119.800 0.416 0.000 2.644 262 Q HA 0.494 4.834 4.340 -0.000 0.000 0.245 262 Q C 0.683 176.773 176.000 0.151 0.000 1.064 262 Q CA 0.598 56.499 55.803 0.164 0.000 0.860 262 Q CB 0.343 29.131 28.738 0.084 0.000 1.145 262 Q HN 0.733 nan 8.270 nan 0.000 0.515 263 G N 2.322 111.203 108.800 0.135 0.000 2.595 263 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.297 263 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.297 263 G C 0.666 175.638 174.900 0.119 0.000 1.181 263 G CA 0.322 45.468 45.100 0.077 0.000 0.963 263 G HN 0.515 nan 8.290 nan 0.000 0.541 264 E N 1.558 121.831 120.200 0.122 0.000 2.385 264 E HA 0.195 4.545 4.350 -0.000 0.000 0.194 264 E C 1.263 178.083 176.600 0.367 0.000 1.013 264 E CA 0.925 57.409 56.400 0.140 0.000 0.866 264 E CB -0.125 29.623 29.700 0.080 0.000 0.832 264 E HN 0.473 nan 8.360 nan 0.000 0.500 265 T N 1.363 116.131 114.554 0.357 0.000 2.806 265 T HA 0.176 4.526 4.350 -0.000 0.000 0.290 265 T C 0.089 174.926 174.700 0.228 0.000 0.966 265 T CA -0.347 61.933 62.100 0.301 0.000 1.060 265 T CB 1.585 70.532 68.868 0.132 0.000 0.927 265 T HN -0.069 nan 8.240 nan 0.000 0.485 266 Q N 2.866 122.517 119.800 -0.249 0.000 2.296 266 Q HA 0.287 4.627 4.340 -0.000 0.000 0.257 266 Q C 0.318 176.042 176.000 -0.459 0.000 0.942 266 Q CA -0.397 54.780 55.803 -1.044 0.000 0.939 266 Q CB 0.928 28.755 28.738 -1.519 0.000 1.198 266 Q HN 0.583 nan 8.270 nan 0.000 0.429 267 V N 2.309 121.996 119.914 -0.379 0.000 2.685 267 V HA 0.333 4.453 4.120 -0.000 0.000 0.244 267 V C 0.420 176.403 176.094 -0.184 0.000 1.054 267 V CA 0.964 63.166 62.300 -0.164 0.000 1.076 267 V CB 0.095 31.913 31.823 -0.008 0.000 0.725 267 V HN 0.761 nan 8.190 nan 0.000 0.467 268 A N -1.203 121.463 122.820 -0.256 0.000 2.599 268 A HA 0.750 5.070 4.320 -0.000 0.000 0.294 268 A C -0.819 176.635 177.584 -0.216 0.000 1.055 268 A CA -0.048 51.873 52.037 -0.194 0.000 0.683 268 A CB 1.739 20.662 19.000 -0.129 0.000 1.278 268 A HN 0.029 nan 8.150 nan 0.000 0.412 269 S N -1.078 114.528 115.700 -0.157 0.000 2.579 269 S HA 0.895 5.365 4.470 -0.000 0.000 0.272 269 S C -0.493 174.058 174.600 -0.082 0.000 1.141 269 S CA 0.146 58.271 58.200 -0.125 0.000 0.843 269 S CB 1.964 65.085 63.200 -0.130 0.000 1.122 269 S HN 2.313 nan 8.310 nan 0.000 0.468 270 G N 1.216 109.979 108.800 -0.061 0.000 2.759 270 G HA2 0.596 4.556 3.960 -0.000 0.000 0.297 270 G HA3 0.596 4.556 3.960 -0.000 0.000 0.297 270 G C -1.518 173.362 174.900 -0.033 0.000 1.434 270 G CA -0.381 44.690 45.100 -0.049 0.000 0.980 270 G HN 0.685 nan 8.290 nan 0.000 0.531 271 T N -0.203 114.336 114.554 -0.025 0.000 2.900 271 T HA 0.910 5.260 4.350 -0.000 0.000 0.295 271 T C -0.170 174.506 174.700 -0.041 0.000 1.044 271 T CA 0.090 62.186 62.100 -0.007 0.000 0.995 271 T CB 1.869 70.768 68.868 0.050 0.000 1.072 271 T HN 1.781 nan 8.240 nan 0.000 0.473 272 A N 2.916 125.687 122.820 -0.083 0.000 2.566 272 A HA 0.914 5.234 4.320 -0.000 0.000 0.290 272 A C -3.246 174.228 177.584 -0.184 0.000 1.071 272 A CA -1.416 50.551 52.037 -0.116 0.000 0.658 272 A CB 1.148 20.069 19.000 -0.132 0.000 1.285 272 A HN 0.537 nan 8.150 nan 0.000 0.427 273 P HA 0.656 nan 4.420 nan 0.000 0.292 273 P C -0.772 176.441 177.300 -0.145 0.000 1.300 273 P CA -0.483 62.552 63.100 -0.110 0.000 0.900 273 P CB 0.590 32.275 31.700 -0.024 0.000 1.139 274 F N 0.827 120.727 119.950 -0.083 0.000 2.535 274 F HA 0.413 4.940 4.527 -0.000 0.000 0.332 274 F C 1.622 177.400 175.800 -0.036 0.000 1.208 274 F CA 1.925 59.887 58.000 -0.062 0.000 1.330 274 F CB -0.190 38.766 39.000 -0.074 0.000 1.167 274 F HN 0.629 nan 8.300 nan 0.000 0.597 275 G N 0.953 109.879 108.800 0.209 0.000 3.438 275 G HA2 0.374 4.334 3.960 -0.000 0.000 0.684 275 G HA3 0.374 4.334 3.960 -0.000 0.000 0.684 275 G C -0.482 174.462 174.900 0.073 0.000 1.192 275 G CA -0.792 44.384 45.100 0.126 0.000 1.013 275 G HN 1.060 nan 8.290 nan 0.000 0.530 276 G N 0.631 109.492 108.800 0.100 0.000 2.537 276 G HA2 0.755 4.715 3.960 -0.000 0.000 0.297 276 G HA3 0.755 4.715 3.960 -0.000 0.000 0.297 276 G C 0.061 174.993 174.900 0.055 0.000 1.310 276 G CA -0.323 44.827 45.100 0.084 0.000 1.027 276 G HN 0.895 nan 8.290 nan 0.000 0.505 277 E N -0.817 119.412 120.200 0.049 0.000 2.349 277 E HA 0.390 4.740 4.350 -0.000 0.000 0.262 277 E C -0.319 176.298 176.600 0.029 0.000 1.088 277 E CA -0.660 55.758 56.400 0.029 0.000 0.899 277 E CB 0.798 30.511 29.700 0.022 0.000 1.044 277 E HN 0.232 nan 8.360 nan 0.000 0.420 278 I N 1.694 122.271 120.570 0.011 0.000 2.710 278 I HA -0.058 4.112 4.170 -0.000 0.000 0.286 278 I C 1.004 177.125 176.117 0.007 0.000 1.181 278 I CA 0.578 61.878 61.300 -0.001 0.000 1.430 278 I CB 0.147 38.142 38.000 -0.007 0.000 1.367 278 I HN 0.651 nan 8.210 nan 0.000 0.577 279 I N 1.176 121.743 120.570 -0.005 0.000 4.124 279 I HA 0.416 4.586 4.170 -0.000 0.000 0.311 279 I C 0.006 176.120 176.117 -0.005 0.000 1.259 279 I CA 0.471 61.778 61.300 0.011 0.000 1.315 279 I CB 0.133 38.164 38.000 0.051 0.000 1.223 279 I HN 0.618 nan 8.210 nan 0.000 0.441 280 D N -0.547 119.837 120.400 -0.027 0.000 2.946 280 D HA 0.207 4.847 4.640 -0.000 0.000 0.337 280 D C 0.484 176.766 176.300 -0.029 0.000 1.332 280 D CA -0.431 53.554 54.000 -0.024 0.000 0.935 280 D CB 0.250 41.036 40.800 -0.023 0.000 1.440 280 D HN -0.086 nan 8.370 nan 0.000 0.540 281 E N -0.824 119.361 120.200 -0.025 0.000 2.209 281 E HA -0.076 4.274 4.350 -0.000 0.000 0.196 281 E C 1.591 178.171 176.600 -0.032 0.000 0.993 281 E CA 1.174 57.559 56.400 -0.024 0.000 0.819 281 E CB -0.033 29.657 29.700 -0.018 0.000 0.745 281 E HN 0.250 nan 8.360 nan 0.000 0.477 282 R N -0.468 120.005 120.500 -0.046 0.000 2.276 282 R HA 0.224 4.564 4.340 -0.000 0.000 0.196 282 R C 0.880 177.138 176.300 -0.071 0.000 0.961 282 R CA 0.699 56.764 56.100 -0.057 0.000 1.024 282 R CB 0.728 30.988 30.300 -0.067 0.000 0.940 282 R HN 0.213 nan 8.270 nan 0.000 0.480 283 G N -0.500 108.257 108.800 -0.073 0.000 2.295 283 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.195 283 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.195 283 G C -0.347 174.491 174.900 -0.104 0.000 1.269 283 G CA -0.639 44.417 45.100 -0.073 0.000 1.170 283 G HN 0.401 nan 8.290 nan 0.000 0.511 284 G N -1.813 106.921 108.800 -0.110 0.000 3.209 284 G HA2 0.635 4.595 3.960 -0.000 0.000 0.236 284 G HA3 0.635 4.595 3.960 -0.000 0.000 0.236 284 G C -1.524 173.228 174.900 -0.247 0.000 1.329 284 G CA -0.767 44.259 45.100 -0.124 0.000 1.015 284 G HN 0.721 nan 8.290 nan 0.000 0.571 285 Y N 0.767 121.080 120.300 0.022 0.000 2.404 285 Y HA 0.449 4.999 4.550 -0.000 0.000 0.344 285 Y C 1.372 177.300 175.900 0.046 0.000 0.970 285 Y CA 0.018 58.137 58.100 0.031 0.000 1.180 285 Y CB 1.877 40.362 38.460 0.041 0.000 1.138 285 Y HN 0.525 nan 8.280 nan 0.000 0.510 286 A N 1.849 124.750 122.820 0.134 0.000 1.968 286 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 286 A C 1.280 178.952 177.584 0.147 0.000 1.169 286 A CA 1.495 53.593 52.037 0.102 0.000 0.638 286 A CB -0.237 18.781 19.000 0.029 0.000 0.812 286 A HN 0.788 nan 8.150 nan 0.000 0.446 287 D N -0.525 119.961 120.400 0.144 0.000 2.491 287 D HA 0.166 4.806 4.640 -0.000 0.000 0.228 287 D C 0.332 176.810 176.300 0.296 0.000 1.183 287 D CA -0.130 53.895 54.000 0.041 0.000 0.827 287 D CB -0.111 40.658 40.800 -0.051 0.000 0.989 287 D HN 0.424 nan 8.370 nan 0.000 0.494 288 R N -0.952 119.820 120.500 0.452 0.000 2.799 288 R HA 0.765 5.105 4.340 -0.000 0.000 0.270 288 R C -1.558 174.846 176.300 0.174 0.000 1.010 288 R CA -1.227 55.069 56.100 0.328 0.000 0.916 288 R CB 2.819 33.169 30.300 0.084 0.000 1.228 288 R HN -0.014 nan 8.270 nan 0.000 0.469 289 V N 0.162 120.035 119.914 -0.068 0.000 3.000 289 V HA 0.500 4.620 4.120 -0.000 0.000 0.300 289 V C -1.610 174.393 176.094 -0.152 0.000 1.251 289 V CA -0.249 61.937 62.300 -0.189 0.000 0.972 289 V CB 2.715 34.258 31.823 -0.466 0.000 1.065 289 V HN 0.833 nan 8.190 nan 0.000 0.431 290 T N 7.316 121.807 114.554 -0.105 0.000 2.812 290 T HA 0.750 5.099 4.350 -0.000 0.000 0.282 290 T C -0.970 173.683 174.700 -0.078 0.000 0.990 290 T CA -0.269 61.784 62.100 -0.079 0.000 0.960 290 T CB 1.185 70.028 68.868 -0.043 0.000 0.948 290 T HN 0.492 nan 8.240 nan 0.000 0.438 291 L N 2.926 124.105 121.223 -0.074 0.000 2.330 291 L HA 0.647 4.987 4.340 -0.000 0.000 0.271 291 L C 0.405 177.244 176.870 -0.051 0.000 1.013 291 L CA -0.683 54.117 54.840 -0.067 0.000 0.816 291 L CB 1.232 43.246 42.059 -0.074 0.000 1.287 291 L HN 0.415 nan 8.230 nan 0.000 0.435 292 R N 2.838 123.308 120.500 -0.050 0.000 2.451 292 R HA 0.660 5.000 4.340 -0.000 0.000 0.307 292 R C -1.498 174.772 176.300 -0.050 0.000 0.965 292 R CA -0.617 55.454 56.100 -0.048 0.000 0.865 292 R CB 1.463 31.736 30.300 -0.046 0.000 1.174 292 R HN 0.477 nan 8.270 nan 0.000 0.455 293 L N 2.617 123.811 121.223 -0.049 0.000 2.307 293 L HA 0.460 4.800 4.340 -0.000 0.000 0.284 293 L C 0.055 176.893 176.870 -0.053 0.000 1.023 293 L CA -0.944 53.865 54.840 -0.051 0.000 0.810 293 L CB 1.494 43.523 42.059 -0.051 0.000 1.231 293 L HN 0.467 nan 8.230 nan 0.000 0.423 294 N N 1.923 120.586 118.700 -0.061 0.000 2.498 294 N HA 0.471 5.211 4.740 -0.000 0.000 0.287 294 N C -1.004 174.454 175.510 -0.087 0.000 1.097 294 N CA -0.314 52.695 53.050 -0.068 0.000 0.973 294 N CB 2.848 41.299 38.487 -0.061 0.000 1.153 294 N HN 0.219 nan 8.380 nan 0.000 0.472 295 V N 2.019 121.865 119.914 -0.112 0.000 2.569 295 V HA 0.192 4.312 4.120 -0.000 0.000 0.301 295 V C -0.136 175.873 176.094 -0.142 0.000 1.044 295 V CA -0.843 61.357 62.300 -0.167 0.000 0.874 295 V CB 2.062 33.692 31.823 -0.322 0.000 1.002 295 V HN 0.535 nan 8.190 nan 0.000 0.424 296 E N 3.703 123.844 120.200 -0.099 0.000 2.301 296 E HA 0.281 4.631 4.350 -0.000 0.000 0.275 296 E C -0.091 176.479 176.600 -0.050 0.000 1.030 296 E CA -0.393 55.973 56.400 -0.057 0.000 0.852 296 E CB 0.662 30.342 29.700 -0.035 0.000 1.060 296 E HN 0.711 nan 8.360 nan 0.000 0.401 297 N N 1.344 120.037 118.700 -0.012 0.000 2.689 297 N HA -0.131 4.609 4.740 -0.000 0.000 0.263 297 N C -2.386 173.119 175.510 -0.008 0.000 0.987 297 N CA 0.359 53.418 53.050 0.015 0.000 0.782 297 N CB -1.363 37.137 38.487 0.022 0.000 0.903 297 N HN 0.318 nan 8.380 nan 0.000 0.547 298 P HA 0.130 nan 4.420 nan 0.000 0.272 298 P C 0.100 177.415 177.300 0.026 0.000 1.230 298 P CA 0.163 63.153 63.100 -0.184 0.000 0.788 298 P CB 0.854 32.192 31.700 -0.603 0.000 0.949 299 K N 1.344 121.842 120.400 0.162 0.000 2.234 299 K HA 0.393 4.713 4.320 -0.000 0.000 0.277 299 K C -0.156 176.611 176.600 0.278 0.000 1.038 299 K CA -0.540 55.853 56.287 0.178 0.000 0.888 299 K CB 0.493 33.065 32.500 0.120 0.000 1.091 299 K HN 0.382 nan 8.250 nan 0.000 0.467 300 L N 2.378 123.688 121.223 0.146 0.000 2.395 300 L HA 0.338 4.678 4.340 -0.000 0.000 0.269 300 L C -0.113 176.842 176.870 0.142 0.000 1.133 300 L CA -0.795 54.140 54.840 0.158 0.000 0.812 300 L CB 0.417 42.427 42.059 -0.082 0.000 1.125 300 L HN 0.599 nan 8.230 nan 0.000 0.452 301 W N 2.885 124.222 121.300 0.062 0.000 2.376 301 W HA 0.497 5.157 4.660 -0.000 0.000 0.322 301 W C -0.300 176.171 176.519 -0.080 0.000 1.160 301 W CA 0.129 57.488 57.345 0.024 0.000 1.218 301 W CB 1.269 30.790 29.460 0.102 0.000 1.205 301 W HN 0.609 nan 8.180 nan 0.000 0.559 302 S N 2.788 117.845 115.700 -1.071 0.000 2.588 302 S HA 0.610 5.080 4.470 -0.000 0.000 0.269 302 S C 0.028 173.812 174.600 -1.359 0.000 1.157 302 S CA -0.439 57.240 58.200 -0.869 0.000 0.824 302 S CB 1.260 64.200 63.200 -0.433 0.000 1.126 302 S HN 0.814 nan 8.310 nan 0.000 0.464 303 A N 0.343 122.571 122.820 -0.985 0.000 2.066 303 A HA 0.043 4.363 4.320 -0.000 0.000 0.218 303 A C 1.686 178.926 177.584 -0.574 0.000 1.157 303 A CA 1.269 52.693 52.037 -1.022 0.000 0.670 303 A CB -0.778 17.384 19.000 -1.396 0.000 0.804 303 A HN 0.863 nan 8.150 nan 0.000 0.453 304 E N -0.807 119.199 120.200 -0.324 0.000 2.106 304 E HA 0.030 4.380 4.350 -0.000 0.000 0.192 304 E C -0.279 176.168 176.600 -0.254 0.000 0.984 304 E CA 0.778 57.061 56.400 -0.195 0.000 0.806 304 E CB 0.020 29.745 29.700 0.042 0.000 0.750 304 E HN 0.605 nan 8.360 nan 0.000 0.458 305 I N 0.945 121.307 120.570 -0.346 0.000 2.588 305 I HA 0.140 4.310 4.170 -0.000 0.000 0.278 305 I C -2.624 173.223 176.117 -0.451 0.000 1.144 305 I CA -1.852 59.269 61.300 -0.299 0.000 1.074 305 I CB 2.154 40.038 38.000 -0.192 0.000 1.235 305 I HN -0.234 nan 8.210 nan 0.000 0.472 306 P HA 0.064 nan 4.420 nan 0.000 0.231 306 P C -0.497 176.794 177.300 -0.015 0.000 1.756 306 P CA -0.098 62.678 63.100 -0.539 0.000 0.990 306 P CB -0.371 31.232 31.700 -0.162 0.000 1.973 307 N N 1.782 120.493 118.700 0.017 0.000 2.468 307 N HA 0.128 4.868 4.740 -0.000 0.000 0.265 307 N C 0.078 175.805 175.510 0.363 0.000 1.199 307 N CA 0.374 53.508 53.050 0.141 0.000 0.928 307 N CB 0.618 39.171 38.487 0.110 0.000 1.059 307 N HN 0.266 nan 8.380 nan 0.000 0.467 308 L N 2.369 123.715 121.223 0.205 0.000 2.319 308 L HA 0.525 4.865 4.340 -0.000 0.000 0.267 308 L C -0.803 176.143 176.870 0.127 0.000 1.011 308 L CA -0.880 54.111 54.840 0.252 0.000 0.818 308 L CB 1.164 43.345 42.059 0.204 0.000 1.316 308 L HN 0.400 nan 8.230 nan 0.000 0.432 309 Y N -0.028 120.401 120.300 0.215 0.000 2.576 309 Y HA 0.567 5.116 4.550 -0.000 0.000 0.346 309 Y C -0.338 175.670 175.900 0.180 0.000 1.018 309 Y CA -0.809 57.425 58.100 0.224 0.000 1.050 309 Y CB 2.095 40.741 38.460 0.310 0.000 1.280 309 Y HN 0.385 nan 8.280 nan 0.000 0.474 310 R N 1.244 121.981 120.500 0.394 0.000 2.445 310 R HA 0.869 5.209 4.340 -0.000 0.000 0.308 310 R C -1.499 174.993 176.300 0.321 0.000 0.961 310 R CA -0.666 55.600 56.100 0.278 0.000 0.862 310 R CB 1.110 31.500 30.300 0.149 0.000 1.144 310 R HN 0.804 nan 8.270 nan 0.000 0.447 311 A N 3.806 126.757 122.820 0.218 0.000 2.331 311 A HA 0.588 4.908 4.320 -0.000 0.000 0.320 311 A C -1.110 176.548 177.584 0.124 0.000 1.138 311 A CA -0.657 51.495 52.037 0.192 0.000 0.790 311 A CB 1.506 20.597 19.000 0.151 0.000 1.206 311 A HN 0.456 nan 8.150 nan 0.000 0.470 312 V N 2.171 122.163 119.914 0.129 0.000 2.448 312 V HA 0.526 4.646 4.120 -0.000 0.000 0.295 312 V C -0.374 175.706 176.094 -0.024 0.000 1.025 312 V CA -0.692 61.628 62.300 0.034 0.000 0.859 312 V CB 1.396 33.245 31.823 0.043 0.000 0.988 312 V HN 0.582 nan 8.190 nan 0.000 0.431 313 V N 5.010 124.852 119.914 -0.121 0.000 2.334 313 V HA 0.439 4.559 4.120 -0.000 0.000 0.281 313 V C -0.036 176.001 176.094 -0.096 0.000 1.016 313 V CA -0.479 61.719 62.300 -0.169 0.000 0.832 313 V CB 1.150 32.724 31.823 -0.414 0.000 0.999 313 V HN 1.046 nan 8.190 nan 0.000 0.439 314 E N 5.060 125.252 120.200 -0.013 0.000 2.176 314 E HA 0.576 4.926 4.350 -0.000 0.000 0.267 314 E C -1.111 175.577 176.600 0.147 0.000 0.893 314 E CA -1.069 55.372 56.400 0.069 0.000 0.761 314 E CB 2.790 32.545 29.700 0.093 0.000 1.133 314 E HN 0.411 nan 8.360 nan 0.000 0.409 315 L N 5.317 126.596 121.223 0.093 0.000 2.255 315 L HA 0.285 4.625 4.340 -0.000 0.000 0.289 315 L C -0.686 176.247 176.870 0.106 0.000 1.046 315 L CA 0.068 54.936 54.840 0.047 0.000 0.816 315 L CB -0.098 41.967 42.059 0.009 0.000 1.197 315 L HN 0.699 nan 8.230 nan 0.000 0.427 316 H N 1.205 120.294 119.070 0.032 0.000 2.942 316 H HA 0.617 5.173 4.556 -0.000 0.000 0.316 316 H C -0.966 174.404 175.328 0.071 0.000 1.323 316 H CA -0.342 55.733 56.048 0.044 0.000 1.144 316 H CB 0.987 30.770 29.762 0.035 0.000 1.866 316 H HN 0.474 nan 8.280 nan 0.000 0.545 317 T N -2.824 111.866 114.554 0.226 0.000 2.927 317 T HA 0.526 4.876 4.350 -0.000 0.000 0.281 317 T C 1.439 176.316 174.700 0.295 0.000 0.998 317 T CA -0.196 62.048 62.100 0.240 0.000 1.019 317 T CB 1.389 70.447 68.868 0.317 0.000 1.061 317 T HN 0.776 nan 8.240 nan 0.000 0.518 318 A N 1.003 123.968 122.820 0.240 0.000 2.024 318 A HA -0.085 4.235 4.320 -0.000 0.000 0.220 318 A C 1.816 179.500 177.584 0.165 0.000 1.164 318 A CA 1.975 54.129 52.037 0.194 0.000 0.643 318 A CB -1.282 17.814 19.000 0.160 0.000 0.806 318 A HN 1.035 nan 8.150 nan 0.000 0.451 319 D N -2.969 117.516 120.400 0.142 0.000 2.269 319 D HA 0.268 4.908 4.640 -0.000 0.000 0.208 319 D C 1.254 177.603 176.300 0.081 0.000 0.963 319 D CA 1.358 55.409 54.000 0.084 0.000 0.864 319 D CB -0.145 40.683 40.800 0.047 0.000 0.936 319 D HN 0.669 nan 8.370 nan 0.000 0.505 320 G N -1.269 107.605 108.800 0.125 0.000 2.367 320 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.181 320 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.181 320 G C 0.329 175.261 174.900 0.054 0.000 1.000 320 G CA -0.042 45.090 45.100 0.052 0.000 0.693 320 G HN 0.329 nan 8.290 nan 0.000 0.480 321 T N 2.139 116.753 114.554 0.101 0.000 2.817 321 T HA 0.405 4.755 4.350 -0.000 0.000 0.295 321 T C 0.507 175.289 174.700 0.138 0.000 0.958 321 T CA 0.153 62.310 62.100 0.094 0.000 1.157 321 T CB 1.068 69.989 68.868 0.088 0.000 0.898 321 T HN 0.482 nan 8.240 nan 0.000 0.536 322 L N 4.862 126.143 121.223 0.097 0.000 2.331 322 L HA 0.255 4.595 4.340 -0.000 0.000 0.278 322 L C 0.619 177.549 176.870 0.099 0.000 1.106 322 L CA -0.463 54.448 54.840 0.118 0.000 0.824 322 L CB 0.463 42.562 42.059 0.066 0.000 1.142 322 L HN 0.578 nan 8.230 nan 0.000 0.443 323 I N 3.321 123.950 120.570 0.099 0.000 2.494 323 I HA 0.103 4.273 4.170 -0.000 0.000 0.250 323 I C 0.603 176.735 176.117 0.025 0.000 1.112 323 I CA 0.803 62.133 61.300 0.049 0.000 1.438 323 I CB -0.176 37.837 38.000 0.022 0.000 1.111 323 I HN 0.802 nan 8.210 nan 0.000 0.431 324 E N -0.597 119.622 120.200 0.032 0.000 2.421 324 E HA 0.674 5.024 4.350 -0.000 0.000 0.278 324 E C -1.674 174.950 176.600 0.040 0.000 1.141 324 E CA -1.034 55.382 56.400 0.027 0.000 0.880 324 E CB 0.979 30.661 29.700 -0.031 0.000 1.381 324 E HN -0.073 nan 8.360 nan 0.000 0.436 325 A N 0.925 123.796 122.820 0.084 0.000 2.539 325 A HA 0.738 5.058 4.320 -0.000 0.000 0.296 325 A C -1.256 176.453 177.584 0.208 0.000 1.073 325 A CA -0.687 51.407 52.037 0.094 0.000 0.700 325 A CB 1.911 20.954 19.000 0.072 0.000 1.296 325 A HN 0.515 nan 8.150 nan 0.000 0.405 326 E N -0.451 119.803 120.200 0.090 0.000 2.393 326 E HA 0.766 5.116 4.350 -0.000 0.000 0.273 326 E C -0.631 175.993 176.600 0.039 0.000 0.918 326 E CA -0.621 55.902 56.400 0.205 0.000 0.773 326 E CB 2.510 32.277 29.700 0.113 0.000 1.275 326 E HN 1.162 nan 8.360 nan 0.000 0.451 327 A N 0.179 123.135 122.820 0.226 0.000 2.588 327 A HA 0.859 5.179 4.320 -0.000 0.000 0.290 327 A C -1.116 176.647 177.584 0.299 0.000 1.136 327 A CA -0.393 51.711 52.037 0.112 0.000 0.681 327 A CB 1.195 20.132 19.000 -0.105 0.000 1.282 327 A HN 0.935 nan 8.150 nan 0.000 0.421 328 C N -0.813 118.623 119.300 0.226 0.000 3.292 328 C HA 0.728 5.188 4.460 -0.000 0.000 0.338 328 C C -1.544 173.533 174.990 0.144 0.000 1.323 328 C CA -0.988 58.157 59.018 0.211 0.000 1.232 328 C CB 0.887 28.766 27.740 0.232 0.000 1.517 328 C HN 0.829 nan 8.230 nan 0.000 0.470 329 D N 0.831 121.294 120.400 0.105 0.000 2.264 329 D HA 0.572 5.212 4.640 -0.000 0.000 0.249 329 D C -0.506 175.831 176.300 0.061 0.000 1.070 329 D CA 0.155 54.217 54.000 0.104 0.000 0.912 329 D CB 2.080 42.941 40.800 0.101 0.000 1.193 329 D HN 0.529 nan 8.370 nan 0.000 0.427 330 V N 0.695 120.674 119.914 0.107 0.000 2.656 330 V HA 0.645 4.765 4.120 -0.000 0.000 0.307 330 V C 0.369 176.503 176.094 0.065 0.000 1.051 330 V CA -0.732 61.577 62.300 0.015 0.000 0.893 330 V CB 2.196 34.017 31.823 -0.003 0.000 0.999 330 V HN 0.645 nan 8.190 nan 0.000 0.426 331 G N 2.763 111.489 108.800 -0.124 0.000 2.544 331 G HA2 0.643 4.602 3.960 -0.000 0.000 0.313 331 G HA3 0.643 4.602 3.960 -0.000 0.000 0.313 331 G C -1.241 173.645 174.900 -0.023 0.000 1.316 331 G CA -0.399 44.702 45.100 0.001 0.000 0.944 331 G HN 0.410 nan 8.290 nan 0.000 0.489 332 F N 2.257 122.389 119.950 0.303 0.000 2.404 332 F HA 0.561 5.088 4.527 -0.000 0.000 0.359 332 F C 0.918 176.958 175.800 0.400 0.000 1.134 332 F CA -0.300 57.933 58.000 0.388 0.000 1.160 332 F CB 1.109 40.356 39.000 0.412 0.000 1.186 332 F HN 0.553 nan 8.300 nan 0.000 0.526 333 R N 1.215 122.016 120.500 0.501 0.000 2.634 333 R HA 0.461 4.801 4.340 -0.000 0.000 0.263 333 R C -1.762 174.684 176.300 0.244 0.000 1.060 333 R CA -1.072 55.173 56.100 0.242 0.000 0.898 333 R CB 1.422 31.884 30.300 0.270 0.000 1.253 333 R HN 0.458 nan 8.270 nan 0.000 0.461 334 E N 2.103 122.348 120.200 0.074 0.000 2.199 334 E HA 0.474 4.824 4.350 -0.000 0.000 0.265 334 E C -1.289 175.367 176.600 0.093 0.000 0.882 334 E CA -1.019 55.478 56.400 0.162 0.000 0.759 334 E CB 2.020 31.851 29.700 0.219 0.000 1.148 334 E HN 0.430 nan 8.360 nan 0.000 0.412 335 V N 5.489 125.457 119.914 0.090 0.000 2.417 335 V HA 0.584 4.704 4.120 -0.000 0.000 0.291 335 V C -0.182 175.944 176.094 0.054 0.000 1.024 335 V CA -0.557 61.770 62.300 0.045 0.000 0.861 335 V CB 1.260 33.091 31.823 0.013 0.000 0.985 335 V HN 0.752 nan 8.190 nan 0.000 0.436 336 R N 4.460 124.988 120.500 0.046 0.000 2.692 336 R HA 0.688 5.028 4.340 -0.000 0.000 0.269 336 R C -2.104 174.217 176.300 0.034 0.000 1.030 336 R CA -0.864 55.266 56.100 0.050 0.000 0.882 336 R CB 1.741 32.084 30.300 0.072 0.000 1.250 336 R HN 0.531 nan 8.270 nan 0.000 0.465 337 I N 1.834 122.426 120.570 0.035 0.000 2.330 337 I HA 0.328 4.498 4.170 -0.000 0.000 0.289 337 I C -0.557 175.578 176.117 0.031 0.000 1.001 337 I CA -0.356 60.960 61.300 0.027 0.000 1.193 337 I CB 1.698 39.715 38.000 0.029 0.000 1.345 337 I HN 0.668 nan 8.210 nan 0.000 0.461 338 E N 6.265 126.480 120.200 0.024 0.000 2.263 338 E HA 0.222 4.572 4.350 -0.000 0.000 0.268 338 E C -0.387 176.224 176.600 0.018 0.000 0.884 338 E CA -0.626 55.789 56.400 0.026 0.000 0.766 338 E CB 1.048 30.768 29.700 0.034 0.000 1.196 338 E HN 0.549 nan 8.360 nan 0.000 0.416 339 N N 3.441 122.152 118.700 0.018 0.000 2.725 339 N HA -0.233 4.507 4.740 -0.000 0.000 0.251 339 N C 0.427 175.941 175.510 0.007 0.000 1.031 339 N CA 1.960 55.018 53.050 0.013 0.000 0.720 339 N CB -1.236 37.258 38.487 0.011 0.000 0.930 339 N HN 0.973 nan 8.380 nan 0.000 0.543 340 G N -1.986 106.819 108.800 0.007 0.000 2.179 340 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.260 340 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.260 340 G C -0.029 174.866 174.900 -0.010 0.000 0.977 340 G CA 0.622 45.722 45.100 0.001 0.000 0.641 340 G HN 0.520 nan 8.290 nan 0.000 0.533 341 L N -0.163 121.055 121.223 -0.008 0.000 2.354 341 L HA 0.748 5.088 4.340 -0.000 0.000 0.269 341 L C -0.101 176.758 176.870 -0.018 0.000 1.005 341 L CA -1.361 53.467 54.840 -0.021 0.000 0.819 341 L CB 1.897 43.943 42.059 -0.022 0.000 1.311 341 L HN 0.077 nan 8.230 nan 0.000 0.423 342 L N 3.737 124.938 121.223 -0.038 0.000 2.260 342 L HA 0.515 4.855 4.340 -0.000 0.000 0.289 342 L C -0.862 175.982 176.870 -0.043 0.000 1.057 342 L CA 0.295 55.112 54.840 -0.039 0.000 0.811 342 L CB 0.483 42.505 42.059 -0.061 0.000 1.184 342 L HN 0.378 nan 8.230 nan 0.000 0.429 343 L N 5.672 126.885 121.223 -0.017 0.000 2.333 343 L HA 0.612 4.952 4.340 -0.000 0.000 0.269 343 L C -0.870 176.001 176.870 0.001 0.000 1.010 343 L CA -0.842 53.995 54.840 -0.004 0.000 0.818 343 L CB 1.993 44.071 42.059 0.031 0.000 1.306 343 L HN 0.558 nan 8.230 nan 0.000 0.430 344 L N 2.694 123.928 121.223 0.019 0.000 2.376 344 L HA 0.495 4.835 4.340 -0.000 0.000 0.275 344 L C -0.475 176.427 176.870 0.052 0.000 0.987 344 L CA -0.233 54.628 54.840 0.036 0.000 0.828 344 L CB 1.098 43.176 42.059 0.031 0.000 1.249 344 L HN 0.648 nan 8.230 nan 0.000 0.409 345 N N 4.114 122.741 118.700 -0.123 0.000 2.716 345 N HA -0.226 4.513 4.740 -0.000 0.000 0.250 345 N C 0.895 176.163 175.510 -0.402 0.000 1.033 345 N CA 1.412 54.134 53.050 -0.546 0.000 0.727 345 N CB -1.162 36.889 38.487 -0.727 0.000 0.950 345 N HN 1.172 nan 8.380 nan 0.000 0.541 346 G N -1.992 106.794 108.800 -0.023 0.000 2.225 346 G HA2 -0.346 3.613 3.960 -0.000 0.000 0.254 346 G HA3 -0.346 3.613 3.960 -0.000 0.000 0.254 346 G C -0.057 174.880 174.900 0.063 0.000 0.988 346 G CA 0.842 46.008 45.100 0.110 0.000 0.625 346 G HN 0.501 nan 8.290 nan 0.000 0.527 347 K N 0.994 121.423 120.400 0.050 0.000 2.208 347 K HA 0.547 4.867 4.320 -0.000 0.000 0.247 347 K C -3.019 173.561 176.600 -0.032 0.000 0.953 347 K CA -2.111 54.163 56.287 -0.021 0.000 0.837 347 K CB 2.676 35.087 32.500 -0.150 0.000 1.131 347 K HN 0.048 nan 8.250 nan 0.000 0.431 348 P HA 0.216 nan 4.420 nan 0.000 0.282 348 P C -0.250 176.989 177.300 -0.101 0.000 1.274 348 P CA -0.175 62.882 63.100 -0.072 0.000 0.770 348 P CB 0.553 32.211 31.700 -0.069 0.000 0.867 349 L N 3.411 124.569 121.223 -0.109 0.000 2.456 349 L HA 0.421 4.761 4.340 -0.000 0.000 0.257 349 L C 0.432 177.218 176.870 -0.139 0.000 1.162 349 L CA -0.804 53.959 54.840 -0.128 0.000 0.808 349 L CB 0.568 42.518 42.059 -0.181 0.000 1.136 349 L HN 0.235 nan 8.230 nan 0.000 0.466 350 L N 2.777 123.930 121.223 -0.118 0.000 2.471 350 L HA 0.414 4.754 4.340 -0.000 0.000 0.263 350 L C -0.706 176.104 176.870 -0.099 0.000 0.985 350 L CA -0.198 54.557 54.840 -0.141 0.000 0.868 350 L CB 0.998 43.000 42.059 -0.094 0.000 1.203 350 L HN 0.217 nan 8.230 nan 0.000 0.429 351 I N 4.513 124.961 120.570 -0.203 0.000 2.436 351 I HA 0.213 4.383 4.170 -0.000 0.000 0.289 351 I C 0.566 176.610 176.117 -0.122 0.000 1.083 351 I CA 0.128 61.314 61.300 -0.189 0.000 1.372 351 I CB 0.525 38.289 38.000 -0.393 0.000 1.408 351 I HN 0.552 nan 8.210 nan 0.000 0.516 352 R N 4.745 125.251 120.500 0.010 0.000 3.070 352 R HA 0.448 4.788 4.340 -0.000 0.000 0.252 352 R C 0.544 176.918 176.300 0.123 0.000 1.370 352 R CA -0.262 55.868 56.100 0.051 0.000 1.482 352 R CB 0.752 30.948 30.300 -0.172 0.000 1.220 352 R HN 0.774 nan 8.270 nan 0.000 0.622 353 G N 0.076 108.897 108.800 0.036 0.000 2.509 353 G HA2 0.591 4.551 3.960 -0.000 0.000 0.328 353 G HA3 0.591 4.551 3.960 -0.000 0.000 0.328 353 G C -1.264 173.925 174.900 0.482 0.000 1.194 353 G CA -0.481 44.647 45.100 0.047 0.000 0.967 353 G HN 0.229 nan 8.290 nan 0.000 0.488 354 V N 0.227 120.464 119.914 0.538 0.000 3.012 354 V HA 0.462 4.582 4.120 -0.000 0.000 0.307 354 V C -1.167 175.071 176.094 0.240 0.000 1.166 354 V CA -1.197 61.293 62.300 0.316 0.000 0.974 354 V CB 2.242 33.971 31.823 -0.158 0.000 1.040 354 V HN 0.783 nan 8.190 nan 0.000 0.428 355 N N 4.272 123.021 118.700 0.081 0.000 2.518 355 N HA 0.518 5.258 4.740 -0.000 0.000 0.283 355 N C -0.799 174.500 175.510 -0.352 0.000 1.119 355 N CA -0.423 52.532 53.050 -0.159 0.000 0.983 355 N CB 1.755 40.134 38.487 -0.180 0.000 1.139 355 N HN 0.670 nan 8.380 nan 0.000 0.465 356 R N 1.688 121.943 120.500 -0.408 0.000 2.533 356 R HA 0.251 4.591 4.340 -0.000 0.000 0.288 356 R C -1.191 174.860 176.300 -0.415 0.000 1.039 356 R CA -0.557 55.317 56.100 -0.377 0.000 0.909 356 R CB 1.090 31.175 30.300 -0.357 0.000 1.195 356 R HN 0.579 nan 8.270 nan 0.000 0.438 357 H N 2.001 120.917 119.070 -0.257 0.000 2.495 357 H HA 0.172 4.727 4.556 -0.000 0.000 0.350 357 H C -0.549 174.760 175.328 -0.030 0.000 1.202 357 H CA -0.214 55.771 56.048 -0.106 0.000 1.322 357 H CB 1.667 31.423 29.762 -0.011 0.000 1.544 357 H HN 0.565 nan 8.280 nan 0.000 0.565 358 E N 1.653 122.034 120.200 0.302 0.000 1.963 358 E HA 0.106 4.456 4.350 -0.000 0.000 0.274 358 E C -0.767 175.957 176.600 0.207 0.000 1.061 358 E CA 0.007 56.497 56.400 0.151 0.000 0.847 358 E CB 0.150 29.946 29.700 0.160 0.000 1.083 358 E HN 0.399 nan 8.360 nan 0.000 0.402 359 H N 1.604 120.712 119.070 0.062 0.000 2.947 359 H HA 0.229 4.785 4.556 -0.000 0.000 0.354 359 H C -1.648 173.706 175.328 0.043 0.000 1.085 359 H CA -0.696 55.383 56.048 0.052 0.000 1.253 359 H CB 1.027 30.810 29.762 0.035 0.000 1.757 359 H HN 0.362 nan 8.280 nan 0.000 0.523 360 H N 6.528 125.276 119.070 -0.537 0.000 2.744 360 H HA 0.196 4.752 4.556 -0.000 0.000 0.339 360 H C -2.215 172.700 175.328 -0.688 0.000 1.004 360 H CA -2.442 53.337 56.048 -0.448 0.000 1.257 360 H CB 2.440 32.058 29.762 -0.240 0.000 1.552 360 H HN 0.558 nan 8.280 nan 0.000 0.522 361 P HA -0.154 nan 4.420 nan 0.000 0.216 361 P C 1.392 178.579 177.300 -0.187 0.000 1.150 361 P CA 1.019 63.930 63.100 -0.314 0.000 0.843 361 P CB 0.798 32.340 31.700 -0.263 0.000 0.787 362 L N -2.009 119.234 121.223 0.033 0.000 2.262 362 L HA 0.051 4.391 4.340 -0.000 0.000 0.197 362 L C 2.444 179.226 176.870 -0.146 0.000 1.073 362 L CA 0.844 55.632 54.840 -0.087 0.000 0.800 362 L CB -0.767 41.126 42.059 -0.277 0.000 0.987 362 L HN 0.013 nan 8.230 nan 0.000 0.470 363 H N -0.483 118.512 119.070 -0.125 0.000 2.547 363 H HA 0.161 4.717 4.556 -0.000 0.000 0.266 363 H C 1.450 176.644 175.328 -0.223 0.000 0.988 363 H CA 0.078 55.958 56.048 -0.280 0.000 1.147 363 H CB 0.239 29.712 29.762 -0.482 0.000 1.365 363 H HN 0.471 nan 8.280 nan 0.000 0.589 364 G N 1.553 110.256 108.800 -0.161 0.000 2.543 364 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.286 364 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.286 364 G C 0.582 175.372 174.900 -0.183 0.000 1.153 364 G CA 0.352 45.292 45.100 -0.267 0.000 0.968 364 G HN 0.478 nan 8.290 nan 0.000 0.544 365 Q N 0.081 119.786 119.800 -0.158 0.000 2.247 365 Q HA 0.444 4.784 4.340 -0.000 0.000 0.205 365 Q C 0.303 176.323 176.000 0.034 0.000 0.896 365 Q CA -0.037 55.702 55.803 -0.107 0.000 0.950 365 Q CB 0.769 29.335 28.738 -0.287 0.000 1.054 365 Q HN 0.372 nan 8.270 nan 0.000 0.482 366 V N 1.866 121.808 119.914 0.046 0.000 2.432 366 V HA 0.212 4.332 4.120 -0.000 0.000 0.275 366 V C 0.126 176.259 176.094 0.065 0.000 1.043 366 V CA -0.256 62.097 62.300 0.087 0.000 0.925 366 V CB 0.999 32.825 31.823 0.006 0.000 0.985 366 V HN 0.323 nan 8.190 nan 0.000 0.466 367 M N 4.442 124.080 119.600 0.064 0.000 2.471 367 M HA 0.562 5.042 4.480 -0.000 0.000 0.309 367 M C -0.446 175.811 176.300 -0.072 0.000 1.186 367 M CA -0.601 54.696 55.300 -0.005 0.000 1.008 367 M CB 1.454 34.008 32.600 -0.077 0.000 1.551 367 M HN 0.973 nan 8.290 nan 0.000 0.477 368 D N -2.281 118.082 120.400 -0.062 0.000 2.655 368 D HA 0.213 4.853 4.640 -0.000 0.000 0.229 368 D C 0.195 176.490 176.300 -0.008 0.000 1.229 368 D CA -0.691 53.279 54.000 -0.049 0.000 0.807 368 D CB 1.294 42.100 40.800 0.010 0.000 1.514 368 D HN 0.665 nan 8.370 nan 0.000 0.444 369 E N 0.120 120.325 120.200 0.008 0.000 2.086 369 E HA -0.410 3.940 4.350 -0.000 0.000 0.205 369 E C 1.627 178.282 176.600 0.091 0.000 1.027 369 E CA 1.845 58.284 56.400 0.064 0.000 0.830 369 E CB 0.063 29.814 29.700 0.085 0.000 0.751 369 E HN 0.571 nan 8.360 nan 0.000 0.456 370 Q N -0.331 119.521 119.800 0.087 0.000 2.045 370 Q HA -0.199 4.141 4.340 -0.000 0.000 0.206 370 Q C 2.217 178.280 176.000 0.106 0.000 0.991 370 Q CA 2.507 58.368 55.803 0.097 0.000 0.851 370 Q CB -0.333 28.461 28.738 0.095 0.000 0.911 370 Q HN 0.375 nan 8.270 nan 0.000 0.418 371 T N 1.163 115.788 114.554 0.118 0.000 2.674 371 T HA -0.153 4.197 4.350 -0.000 0.000 0.265 371 T C 2.009 176.788 174.700 0.131 0.000 1.039 371 T CA 1.636 63.813 62.100 0.130 0.000 1.150 371 T CB -0.246 68.715 68.868 0.155 0.000 0.864 371 T HN 0.299 nan 8.240 nan 0.000 0.427 372 M N 0.713 120.393 119.600 0.134 0.000 2.113 372 M HA -0.181 4.299 4.480 -0.000 0.000 0.255 372 M C 2.450 178.879 176.300 0.215 0.000 1.073 372 M CA 1.681 57.124 55.300 0.238 0.000 1.091 372 M CB -0.923 31.846 32.600 0.281 0.000 1.309 372 M HN 0.125 nan 8.290 nan 0.000 0.407 373 V N -0.135 119.852 119.914 0.122 0.000 2.332 373 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 373 V C 2.289 178.378 176.094 -0.008 0.000 1.055 373 V CA 2.052 64.357 62.300 0.009 0.000 1.038 373 V CB -0.965 30.885 31.823 0.045 0.000 0.651 373 V HN 0.552 nan 8.190 nan 0.000 0.450 374 Q N -0.194 119.647 119.800 0.068 0.000 2.045 374 Q HA -0.288 4.052 4.340 -0.000 0.000 0.206 374 Q C 2.115 178.191 176.000 0.128 0.000 0.991 374 Q CA 2.279 58.136 55.803 0.090 0.000 0.851 374 Q CB -0.178 28.628 28.738 0.112 0.000 0.911 374 Q HN 0.625 nan 8.270 nan 0.000 0.418 375 D N 0.246 120.749 120.400 0.172 0.000 2.116 375 D HA -0.189 4.451 4.640 -0.000 0.000 0.193 375 D C 1.884 178.178 176.300 -0.010 0.000 0.998 375 D CA 1.217 55.341 54.000 0.206 0.000 0.836 375 D CB -0.312 40.582 40.800 0.157 0.000 0.951 375 D HN 0.336 nan 8.370 nan 0.000 0.449 376 I N 0.643 121.181 120.570 -0.052 0.000 2.163 376 I HA -0.263 3.907 4.170 -0.000 0.000 0.243 376 I C 2.467 178.475 176.117 -0.182 0.000 1.085 376 I CA 0.712 61.885 61.300 -0.211 0.000 1.347 376 I CB -0.208 37.572 38.000 -0.367 0.000 1.044 376 I HN 0.061 nan 8.210 nan 0.000 0.408 377 L N 0.210 121.360 121.223 -0.122 0.000 2.012 377 L HA -0.262 4.078 4.340 -0.000 0.000 0.210 377 L C 2.643 179.583 176.870 0.117 0.000 1.073 377 L CA 1.728 56.570 54.840 0.003 0.000 0.748 377 L CB -0.819 41.255 42.059 0.025 0.000 0.891 377 L HN 0.341 nan 8.230 nan 0.000 0.431 378 L N -0.859 120.461 121.223 0.162 0.000 1.989 378 L HA -0.299 4.041 4.340 -0.000 0.000 0.211 378 L C 2.808 179.852 176.870 0.289 0.000 1.071 378 L CA 1.575 56.589 54.840 0.289 0.000 0.749 378 L CB -0.409 41.945 42.059 0.493 0.000 0.890 378 L HN 0.313 nan 8.230 nan 0.000 0.431 379 M N -0.620 119.015 119.600 0.059 0.000 2.073 379 M HA -0.280 4.200 4.480 -0.000 0.000 0.258 379 M C 2.348 178.726 176.300 0.131 0.000 1.070 379 M CA 1.877 57.130 55.300 -0.078 0.000 1.103 379 M CB -0.505 31.828 32.600 -0.445 0.000 1.321 379 M HN 0.135 nan 8.290 nan 0.000 0.405 380 K N 0.199 120.574 120.400 -0.042 0.000 2.063 380 K HA -0.212 4.108 4.320 -0.000 0.000 0.208 380 K C 1.903 178.474 176.600 -0.047 0.000 1.048 380 K CA 1.597 57.751 56.287 -0.222 0.000 0.928 380 K CB -0.328 31.853 32.500 -0.532 0.000 0.713 380 K HN 0.557 nan 8.250 nan 0.000 0.442 381 Q N 0.113 120.049 119.800 0.226 0.000 2.291 381 Q HA -0.035 4.305 4.340 -0.000 0.000 0.205 381 Q C 0.991 177.269 176.000 0.463 0.000 0.970 381 Q CA 0.626 56.682 55.803 0.423 0.000 0.876 381 Q CB 0.070 29.039 28.738 0.384 0.000 0.935 381 Q HN 0.287 nan 8.270 nan 0.000 0.455 382 N N 0.680 119.623 118.700 0.404 0.000 2.251 382 N HA 0.039 4.779 4.740 -0.000 0.000 0.217 382 N C -0.535 175.109 175.510 0.224 0.000 1.124 382 N CA 0.073 53.362 53.050 0.399 0.000 0.843 382 N CB 0.647 39.443 38.487 0.514 0.000 1.024 382 N HN 0.176 nan 8.380 nan 0.000 0.501 383 N N -0.135 118.687 118.700 0.203 0.000 2.882 383 N HA -0.168 4.572 4.740 -0.000 0.000 0.249 383 N C -0.767 174.655 175.510 -0.146 0.000 1.079 383 N CA 0.629 53.717 53.050 0.064 0.000 0.800 383 N CB -1.798 36.627 38.487 -0.104 0.000 1.124 383 N HN 0.213 nan 8.380 nan 0.000 0.557 384 F N 1.342 121.303 119.950 0.018 0.000 2.371 384 F HA 0.338 4.865 4.527 -0.000 0.000 0.329 384 F C 1.833 177.619 175.800 -0.023 0.000 1.107 384 F CA -0.306 57.687 58.000 -0.011 0.000 1.137 384 F CB 0.775 39.742 39.000 -0.054 0.000 1.214 384 F HN 0.067 nan 8.300 nan 0.000 0.536 385 N N 0.418 119.237 118.700 0.198 0.000 2.118 385 N HA 0.405 5.145 4.740 -0.000 0.000 0.226 385 N C -0.871 174.702 175.510 0.106 0.000 1.305 385 N CA 0.064 53.164 53.050 0.084 0.000 0.890 385 N CB 0.704 39.282 38.487 0.152 0.000 1.118 385 N HN 0.472 nan 8.380 nan 0.000 0.511 386 A N -0.347 122.600 122.820 0.211 0.000 2.606 386 A HA 0.769 5.089 4.320 -0.000 0.000 0.293 386 A C -1.706 176.100 177.584 0.369 0.000 1.082 386 A CA -0.607 51.612 52.037 0.304 0.000 0.685 386 A CB 1.790 21.018 19.000 0.379 0.000 1.284 386 A HN 0.364 nan 8.150 nan 0.000 0.408 387 V N 0.966 121.121 119.914 0.401 0.000 2.971 387 V HA 0.832 4.951 4.120 -0.000 0.000 0.309 387 V C -0.827 175.354 176.094 0.143 0.000 1.130 387 V CA -0.741 61.744 62.300 0.308 0.000 0.964 387 V CB 1.946 33.841 31.823 0.119 0.000 1.029 387 V HN 1.172 nan 8.190 nan 0.000 0.427 388 R N 4.712 125.128 120.500 -0.141 0.000 2.387 388 R HA 0.497 4.837 4.340 -0.000 0.000 0.314 388 R C -0.763 175.371 176.300 -0.277 0.000 0.958 388 R CA -0.477 55.387 56.100 -0.394 0.000 0.846 388 R CB 1.158 30.944 30.300 -0.857 0.000 1.147 388 R HN 0.855 nan 8.270 nan 0.000 0.447 389 C N 4.341 123.518 119.300 -0.206 0.000 3.329 389 C HA 0.100 4.560 4.460 -0.000 0.000 0.537 389 C C 0.515 175.209 174.990 -0.493 0.000 1.034 389 C CA -0.452 58.398 59.018 -0.280 0.000 1.086 389 C CB -2.179 25.506 27.740 -0.091 0.000 1.392 389 C HN 0.700 nan 8.230 nan 0.000 0.612 390 S N 1.470 116.757 115.700 -0.689 0.000 2.465 390 S HA 0.167 4.637 4.470 -0.000 0.000 0.280 390 S C -0.123 173.614 174.600 -1.438 0.000 1.232 390 S CA 0.154 57.670 58.200 -1.141 0.000 1.066 390 S CB 0.066 62.495 63.200 -1.285 0.000 0.929 390 S HN 0.738 nan 8.310 nan 0.000 0.494 391 H N 3.490 121.934 119.070 -1.043 0.000 2.597 391 H HA 0.302 4.858 4.556 -0.000 0.000 0.225 391 H C -1.179 173.997 175.328 -0.253 0.000 1.422 391 H CA -0.365 55.443 56.048 -0.401 0.000 1.335 391 H CB -0.055 29.682 29.762 -0.043 0.000 1.783 391 H HN 0.895 nan 8.280 nan 0.000 0.513 392 Y N -2.670 117.741 120.300 0.184 0.000 0.000 392 Y HA 0.378 4.928 4.550 -0.000 0.000 0.000 392 Y C -3.328 172.681 175.900 0.181 0.000 0.000 392 Y CA -2.900 55.314 58.100 0.189 0.000 0.000 392 Y CB -0.063 38.513 38.460 0.194 0.000 0.000 392 Y HN -0.081 nan 8.280 nan 0.000 0.000 393 P HA 0.187 nan 4.420 nan 0.000 0.271 393 P C -0.688 176.922 177.300 0.517 0.000 1.216 393 P CA 0.130 63.500 63.100 0.449 0.000 0.776 393 P CB 0.648 32.541 31.700 0.320 0.000 0.881 394 N N 0.295 119.312 118.700 0.528 0.000 2.478 394 N HA 0.103 4.843 4.740 -0.000 0.000 0.275 394 N C 0.046 175.817 175.510 0.434 0.000 1.221 394 N CA -0.609 52.659 53.050 0.362 0.000 0.979 394 N CB 0.415 38.884 38.487 -0.030 0.000 1.202 394 N HN 0.596 nan 8.380 nan 0.000 0.564 395 H N 1.966 121.153 119.070 0.195 0.000 3.034 395 H HA 0.007 4.563 4.556 -0.000 0.000 0.324 395 H C -1.747 173.792 175.328 0.351 0.000 1.015 395 H CA -0.822 55.345 56.048 0.198 0.000 1.429 395 H CB 0.985 30.814 29.762 0.112 0.000 1.429 395 H HN 0.411 nan 8.280 nan 0.000 0.585 396 P HA -0.227 nan 4.420 nan 0.000 0.217 396 P C 1.846 179.487 177.300 0.570 0.000 1.151 396 P CA 0.842 64.185 63.100 0.405 0.000 0.849 396 P CB 0.167 31.898 31.700 0.052 0.000 0.787 397 L N -1.222 120.425 121.223 0.707 0.000 2.131 397 L HA -0.079 4.261 4.340 -0.000 0.000 0.210 397 L C 2.316 179.426 176.870 0.400 0.000 1.092 397 L CA 1.474 56.620 54.840 0.509 0.000 0.759 397 L CB -1.417 40.930 42.059 0.480 0.000 0.903 397 L HN 0.059 nan 8.230 nan 0.000 0.435 398 W N -0.263 121.137 121.300 0.166 0.000 2.302 398 W HA -0.395 4.265 4.660 -0.000 0.000 0.320 398 W C 2.208 178.635 176.519 -0.153 0.000 1.241 398 W CA 2.204 59.496 57.345 -0.089 0.000 1.264 398 W CB -0.489 28.786 29.460 -0.309 0.000 1.154 398 W HN 0.283 nan 8.180 nan 0.000 0.483 399 Y N 0.633 120.891 120.300 -0.071 0.000 2.207 399 Y HA -0.243 4.306 4.550 -0.000 0.000 0.287 399 Y C 2.848 178.531 175.900 -0.362 0.000 1.156 399 Y CA 2.141 59.964 58.100 -0.463 0.000 1.182 399 Y CB -1.426 36.464 38.460 -0.949 0.000 0.979 399 Y HN -0.173 nan 8.280 nan 0.000 0.521 400 T N 0.579 115.171 114.554 0.064 0.000 2.777 400 T HA -0.133 4.216 4.350 -0.000 0.000 0.266 400 T C 2.046 176.785 174.700 0.065 0.000 1.040 400 T CA 1.268 63.460 62.100 0.153 0.000 1.141 400 T CB -0.547 68.460 68.868 0.232 0.000 0.868 400 T HN 0.223 nan 8.240 nan 0.000 0.444 401 L N 0.507 121.745 121.223 0.024 0.000 2.012 401 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 401 L C 2.906 179.779 176.870 0.006 0.000 1.073 401 L CA 1.136 56.014 54.840 0.063 0.000 0.748 401 L CB -0.802 41.258 42.059 0.001 0.000 0.891 401 L HN 0.387 nan 8.230 nan 0.000 0.431 402 C N -0.358 118.771 119.300 -0.285 0.000 2.425 402 C HA -0.155 4.305 4.460 -0.000 0.000 0.277 402 C C 2.426 177.436 174.990 0.033 0.000 1.280 402 C CA 0.392 59.259 59.018 -0.252 0.000 1.744 402 C CB -0.868 26.595 27.740 -0.462 0.000 1.989 402 C HN 0.543 nan 8.230 nan 0.000 0.491 403 D N 0.493 120.912 120.400 0.033 0.000 2.117 403 D HA -0.100 4.540 4.640 -0.000 0.000 0.197 403 D C 2.409 178.873 176.300 0.275 0.000 0.987 403 D CA 1.162 55.245 54.000 0.138 0.000 0.829 403 D CB -0.340 40.511 40.800 0.084 0.000 0.961 403 D HN 0.575 nan 8.370 nan 0.000 0.460 404 R N -0.750 119.818 120.500 0.114 0.000 2.075 404 R HA -0.022 4.318 4.340 -0.000 0.000 0.226 404 R C 2.268 178.497 176.300 -0.119 0.000 1.114 404 R CA 0.592 56.688 56.100 -0.008 0.000 0.972 404 R CB -0.366 29.847 30.300 -0.144 0.000 0.869 404 R HN 0.305 nan 8.270 nan 0.000 0.437 405 Y N 0.411 120.726 120.300 0.025 0.000 2.337 405 Y HA 0.093 4.643 4.550 -0.000 0.000 0.293 405 Y C 1.077 176.907 175.900 -0.117 0.000 1.123 405 Y CA 0.920 59.003 58.100 -0.029 0.000 1.201 405 Y CB 0.473 38.885 38.460 -0.079 0.000 1.011 405 Y HN 0.309 nan 8.280 nan 0.000 0.545 406 G N 1.110 109.938 108.800 0.047 0.000 2.858 406 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.272 406 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.272 406 G C -1.173 173.559 174.900 -0.281 0.000 1.003 406 G CA -0.592 44.397 45.100 -0.185 0.000 1.241 406 G HN 0.147 nan 8.290 nan 0.000 0.569 407 L N 1.037 122.165 121.223 -0.158 0.000 2.464 407 L HA 0.464 4.804 4.340 -0.000 0.000 0.266 407 L C 0.008 176.834 176.870 -0.073 0.000 0.965 407 L CA -1.265 53.433 54.840 -0.237 0.000 0.833 407 L CB 1.994 43.940 42.059 -0.188 0.000 1.296 407 L HN 0.457 nan 8.230 nan 0.000 0.405 408 Y N 2.083 122.479 120.300 0.159 0.000 2.411 408 Y HA 0.373 4.922 4.550 -0.000 0.000 0.333 408 Y C 0.276 176.266 175.900 0.150 0.000 1.186 408 Y CA -0.584 57.637 58.100 0.202 0.000 1.381 408 Y CB 1.135 39.704 38.460 0.182 0.000 1.273 408 Y HN 0.155 nan 8.280 nan 0.000 0.546 409 V N 3.625 123.699 119.914 0.268 0.000 2.735 409 V HA 0.374 4.494 4.120 -0.000 0.000 0.310 409 V C -0.712 175.440 176.094 0.096 0.000 1.061 409 V CA -1.052 61.342 62.300 0.157 0.000 0.913 409 V CB 2.024 33.896 31.823 0.082 0.000 1.005 409 V HN 0.454 nan 8.190 nan 0.000 0.428 410 V N 2.593 122.543 119.914 0.061 0.000 2.328 410 V HA 0.358 4.478 4.120 -0.000 0.000 0.278 410 V C -0.388 175.732 176.094 0.044 0.000 1.021 410 V CA -0.409 61.889 62.300 -0.004 0.000 0.838 410 V CB 1.424 33.171 31.823 -0.126 0.000 0.999 410 V HN 0.878 nan 8.190 nan 0.000 0.447 411 D N 4.020 124.477 120.400 0.095 0.000 2.264 411 D HA 0.315 4.955 4.640 -0.000 0.000 0.250 411 D C -0.216 176.256 176.300 0.286 0.000 1.113 411 D CA 0.038 54.190 54.000 0.253 0.000 0.871 411 D CB 1.294 42.291 40.800 0.329 0.000 1.167 411 D HN 0.710 nan 8.370 nan 0.000 0.447 412 E N 1.710 122.055 120.200 0.242 0.000 2.248 412 E HA 0.616 4.966 4.350 -0.000 0.000 0.267 412 E C -1.131 175.607 176.600 0.231 0.000 0.877 412 E CA -1.074 55.456 56.400 0.218 0.000 0.759 412 E CB 1.418 31.198 29.700 0.132 0.000 1.182 412 E HN 0.451 nan 8.360 nan 0.000 0.418 413 A N 3.646 126.598 122.820 0.220 0.000 2.445 413 A HA 0.078 4.398 4.320 -0.000 0.000 0.242 413 A C 0.337 178.048 177.584 0.211 0.000 1.075 413 A CA -0.274 51.875 52.037 0.188 0.000 0.777 413 A CB 0.173 19.251 19.000 0.130 0.000 1.013 413 A HN 0.684 nan 8.150 nan 0.000 0.493 414 N N 1.471 120.305 118.700 0.223 0.000 2.892 414 N HA 0.193 4.933 4.740 -0.000 0.000 0.300 414 N C -0.921 174.718 175.510 0.215 0.000 1.211 414 N CA 0.279 53.490 53.050 0.269 0.000 1.158 414 N CB -0.901 37.754 38.487 0.278 0.000 1.455 414 N HN 0.469 nan 8.380 nan 0.000 0.524 415 I N 0.673 121.362 120.570 0.199 0.000 2.534 415 I HA 0.270 4.440 4.170 -0.000 0.000 0.286 415 I C -0.620 175.590 176.117 0.156 0.000 1.094 415 I CA -0.688 60.710 61.300 0.163 0.000 1.055 415 I CB 1.972 40.043 38.000 0.119 0.000 1.225 415 I HN 0.215 nan 8.210 nan 0.000 0.435 416 E N 4.190 124.479 120.200 0.149 0.000 2.278 416 E HA 0.413 4.763 4.350 -0.000 0.000 0.272 416 E C -0.528 176.144 176.600 0.120 0.000 0.890 416 E CA -0.438 56.024 56.400 0.105 0.000 0.770 416 E CB 1.862 31.599 29.700 0.062 0.000 1.212 416 E HN 0.671 nan 8.360 nan 0.000 0.415 417 T N 0.536 115.153 114.554 0.105 0.000 3.380 417 T HA 0.138 4.488 4.350 -0.000 0.000 0.289 417 T C 0.972 175.736 174.700 0.106 0.000 1.012 417 T CA -0.286 61.903 62.100 0.147 0.000 0.944 417 T CB -0.329 68.596 68.868 0.093 0.000 1.172 417 T HN 0.679 nan 8.240 nan 0.000 0.502 418 H N 1.188 120.189 119.070 -0.116 0.000 2.362 418 H HA -0.133 4.423 4.556 -0.000 0.000 0.294 418 H C 2.265 177.470 175.328 -0.205 0.000 1.113 418 H CA 1.440 57.385 56.048 -0.171 0.000 1.253 418 H CB -0.234 29.399 29.762 -0.215 0.000 1.363 418 H HN 0.576 nan 8.280 nan 0.000 0.494 419 G N 0.230 108.868 108.800 -0.270 0.000 2.650 419 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.214 419 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.214 419 G C 0.645 175.626 174.900 0.135 0.000 1.136 419 G CA -0.141 44.820 45.100 -0.232 0.000 0.789 419 G HN 0.148 nan 8.290 nan 0.000 0.536 420 M N 0.149 119.881 119.600 0.219 0.000 2.131 420 M HA 0.314 4.794 4.480 -0.000 0.000 0.283 420 M C -0.314 176.021 176.300 0.058 0.000 1.225 420 M CA 0.143 55.535 55.300 0.154 0.000 1.153 420 M CB 1.083 33.729 32.600 0.077 0.000 1.380 420 M HN -0.161 nan 8.290 nan 0.000 0.458 421 V N 2.158 122.085 119.914 0.021 0.000 2.653 421 V HA 0.296 4.416 4.120 -0.000 0.000 0.298 421 V C -2.113 173.973 176.094 -0.014 0.000 1.097 421 V CA -1.310 60.990 62.300 0.000 0.000 0.908 421 V CB 1.935 33.755 31.823 -0.004 0.000 1.024 421 V HN 0.748 nan 8.190 nan 0.000 0.435 422 P HA 0.214 nan 4.420 nan 0.000 0.273 422 P C 1.134 178.435 177.300 0.001 0.000 1.250 422 P CA -0.457 62.639 63.100 -0.007 0.000 0.793 422 P CB 0.858 32.556 31.700 -0.004 0.000 1.011 423 M N 0.885 120.492 119.600 0.012 0.000 2.255 423 M HA -0.233 4.247 4.480 -0.000 0.000 0.259 423 M C 1.087 177.405 176.300 0.029 0.000 1.071 423 M CA 2.161 57.479 55.300 0.029 0.000 1.074 423 M CB -0.420 32.195 32.600 0.025 0.000 1.384 423 M HN 0.399 nan 8.290 nan 0.000 0.415 424 N N -0.263 118.450 118.700 0.023 0.000 2.251 424 N HA -0.040 4.700 4.740 -0.000 0.000 0.217 424 N C 1.053 176.528 175.510 -0.057 0.000 1.124 424 N CA 0.072 53.130 53.050 0.013 0.000 0.843 424 N CB -0.593 37.924 38.487 0.050 0.000 1.024 424 N HN 0.348 nan 8.380 nan 0.000 0.501 425 R N 0.616 121.072 120.500 -0.074 0.000 2.134 425 R HA -0.090 4.250 4.340 -0.000 0.000 0.248 425 R C 1.546 177.726 176.300 -0.201 0.000 1.143 425 R CA 1.889 57.920 56.100 -0.115 0.000 0.957 425 R CB -0.160 30.070 30.300 -0.117 0.000 0.867 425 R HN 0.327 nan 8.270 nan 0.000 0.441 426 L N -0.994 120.042 121.223 -0.311 0.000 2.168 426 L HA 0.004 4.344 4.340 -0.000 0.000 0.203 426 L C 2.476 179.164 176.870 -0.305 0.000 1.078 426 L CA 1.282 55.808 54.840 -0.524 0.000 0.780 426 L CB -0.770 40.698 42.059 -0.985 0.000 0.939 426 L HN 0.366 nan 8.230 nan 0.000 0.451 427 T N -3.657 110.756 114.554 -0.235 0.000 2.897 427 T HA -0.210 4.140 4.350 -0.000 0.000 0.271 427 T C 1.242 175.819 174.700 -0.204 0.000 1.084 427 T CA 1.442 63.384 62.100 -0.263 0.000 1.123 427 T CB -0.352 68.327 68.868 -0.315 0.000 0.865 427 T HN 0.132 nan 8.240 nan 0.000 0.496 428 D N 1.307 121.628 120.400 -0.131 0.000 2.342 428 D HA 0.138 4.778 4.640 -0.000 0.000 0.221 428 D C -0.492 175.777 176.300 -0.051 0.000 1.101 428 D CA -0.224 53.720 54.000 -0.094 0.000 0.837 428 D CB -0.031 40.725 40.800 -0.073 0.000 0.938 428 D HN 0.342 nan 8.370 nan 0.000 0.508 429 D N -0.594 119.790 120.400 -0.026 0.000 2.481 429 D HA 0.187 4.827 4.640 -0.000 0.000 0.246 429 D C -1.829 174.536 176.300 0.109 0.000 1.109 429 D CA -2.319 51.715 54.000 0.057 0.000 0.845 429 D CB 2.237 43.109 40.800 0.120 0.000 1.160 429 D HN -0.149 nan 8.370 nan 0.000 0.534 430 P HA -0.185 nan 4.420 nan 0.000 0.216 430 P C 1.105 178.414 177.300 0.016 0.000 1.154 430 P CA 1.247 64.360 63.100 0.021 0.000 0.865 430 P CB 0.171 31.871 31.700 0.001 0.000 0.789 431 R N -1.801 118.714 120.500 0.025 0.000 2.211 431 R HA -0.143 4.197 4.340 -0.000 0.000 0.240 431 R C 1.769 177.925 176.300 -0.240 0.000 1.144 431 R CA 1.455 57.489 56.100 -0.110 0.000 0.992 431 R CB -0.830 29.377 30.300 -0.155 0.000 0.869 431 R HN 0.365 nan 8.270 nan 0.000 0.462 432 W N -0.042 121.199 121.300 -0.098 0.000 3.278 432 W HA 0.146 4.806 4.660 -0.000 0.000 0.308 432 W C 1.586 178.043 176.519 -0.103 0.000 1.253 432 W CA -0.602 56.683 57.345 -0.099 0.000 1.759 432 W CB -0.033 29.363 29.460 -0.105 0.000 1.093 432 W HN -0.002 nan 8.180 nan 0.000 0.648 433 L N 2.382 123.652 121.223 0.078 0.000 2.042 433 L HA -0.078 4.262 4.340 -0.000 0.000 0.210 433 L C -0.748 176.094 176.870 -0.047 0.000 1.076 433 L CA 2.307 57.146 54.840 -0.002 0.000 0.749 433 L CB -1.691 40.352 42.059 -0.025 0.000 0.893 433 L HN -0.230 nan 8.230 nan 0.000 0.432 434 P HA -0.106 nan 4.420 nan 0.000 0.215 434 P C 1.664 178.916 177.300 -0.080 0.000 1.157 434 P CA 2.079 65.123 63.100 -0.092 0.000 0.863 434 P CB -0.253 31.384 31.700 -0.105 0.000 0.787 435 A N -0.342 122.445 122.820 -0.055 0.000 1.873 435 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 435 A C 2.297 179.891 177.584 0.017 0.000 1.193 435 A CA 2.316 54.352 52.037 -0.002 0.000 0.629 435 A CB -1.642 17.404 19.000 0.078 0.000 0.826 435 A HN 0.075 nan 8.150 nan 0.000 0.447 436 M N -0.172 119.450 119.600 0.036 0.000 2.108 436 M HA -0.184 4.296 4.480 -0.000 0.000 0.261 436 M C 2.601 178.851 176.300 -0.084 0.000 1.066 436 M CA 1.916 57.211 55.300 -0.009 0.000 1.107 436 M CB -0.564 32.010 32.600 -0.043 0.000 1.356 436 M HN 0.690 nan 8.290 nan 0.000 0.406 437 S N 0.534 116.159 115.700 -0.124 0.000 2.365 437 S HA -0.221 4.249 4.470 -0.000 0.000 0.225 437 S C 1.696 176.139 174.600 -0.261 0.000 1.039 437 S CA 1.715 59.779 58.200 -0.227 0.000 1.033 437 S CB -0.416 62.642 63.200 -0.237 0.000 0.887 437 S HN 0.488 nan 8.310 nan 0.000 0.447 438 E N 0.650 120.745 120.200 -0.176 0.000 2.110 438 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 438 E C 2.454 178.976 176.600 -0.131 0.000 0.988 438 E CA 1.016 57.322 56.400 -0.156 0.000 0.804 438 E CB -0.225 29.418 29.700 -0.096 0.000 0.745 438 E HN 0.583 nan 8.360 nan 0.000 0.458 439 R N 0.171 120.622 120.500 -0.083 0.000 2.120 439 R HA -0.106 4.234 4.340 -0.000 0.000 0.234 439 R C 2.349 178.609 176.300 -0.067 0.000 1.123 439 R CA 0.918 56.996 56.100 -0.036 0.000 0.975 439 R CB -0.016 30.297 30.300 0.022 0.000 0.866 439 R HN 0.019 nan 8.270 nan 0.000 0.446 440 V N -0.001 119.826 119.914 -0.145 0.000 2.426 440 V HA -0.174 3.946 4.120 -0.000 0.000 0.242 440 V C 2.356 178.297 176.094 -0.255 0.000 1.036 440 V CA 2.009 64.209 62.300 -0.165 0.000 1.044 440 V CB -0.391 31.319 31.823 -0.188 0.000 0.688 440 V HN 0.513 nan 8.190 nan 0.000 0.462 441 T N -0.221 114.063 114.554 -0.451 0.000 2.665 441 T HA -0.309 4.041 4.350 -0.000 0.000 0.268 441 T C 1.946 176.516 174.700 -0.215 0.000 1.035 441 T CA 1.766 63.540 62.100 -0.544 0.000 1.151 441 T CB -0.484 67.955 68.868 -0.714 0.000 0.862 441 T HN 0.402 nan 8.240 nan 0.000 0.438 442 R N 0.462 120.852 120.500 -0.184 0.000 2.081 442 R HA 0.075 4.415 4.340 -0.000 0.000 0.235 442 R C 2.718 178.955 176.300 -0.106 0.000 1.131 442 R CA 1.635 57.661 56.100 -0.124 0.000 0.960 442 R CB -0.544 29.692 30.300 -0.108 0.000 0.856 442 R HN 0.487 nan 8.270 nan 0.000 0.436 443 M N 0.813 120.359 119.600 -0.090 0.000 2.080 443 M HA -0.182 4.298 4.480 -0.000 0.000 0.260 443 M C 2.008 178.251 176.300 -0.094 0.000 1.068 443 M CA 1.746 57.020 55.300 -0.044 0.000 1.109 443 M CB -0.032 32.581 32.600 0.022 0.000 1.342 443 M HN -0.019 nan 8.290 nan 0.000 0.405 444 V N 0.740 120.504 119.914 -0.250 0.000 2.332 444 V HA -0.316 3.804 4.120 -0.000 0.000 0.248 444 V C 2.318 178.302 176.094 -0.184 0.000 1.055 444 V CA 2.183 64.207 62.300 -0.459 0.000 1.038 444 V CB -0.964 30.571 31.823 -0.480 0.000 0.651 444 V HN 0.599 nan 8.190 nan 0.000 0.450 445 Q N -0.752 118.979 119.800 -0.116 0.000 2.135 445 Q HA -0.242 4.098 4.340 -0.000 0.000 0.204 445 Q C 2.513 178.439 176.000 -0.123 0.000 0.981 445 Q CA 1.787 57.537 55.803 -0.089 0.000 0.856 445 Q CB -0.161 28.547 28.738 -0.051 0.000 0.902 445 Q HN 0.540 nan 8.270 nan 0.000 0.425 446 R N 0.100 120.520 120.500 -0.134 0.000 2.075 446 R HA -0.094 4.246 4.340 -0.000 0.000 0.226 446 R C 0.585 176.805 176.300 -0.133 0.000 1.114 446 R CA 1.404 57.398 56.100 -0.177 0.000 0.972 446 R CB 0.366 30.561 30.300 -0.176 0.000 0.869 446 R HN 0.147 nan 8.270 nan 0.000 0.437 447 D N -0.184 120.203 120.400 -0.021 0.000 2.369 447 D HA -0.009 4.630 4.640 -0.000 0.000 0.211 447 D C 1.407 177.807 176.300 0.167 0.000 1.077 447 D CA 0.177 54.213 54.000 0.060 0.000 0.842 447 D CB 0.296 41.105 40.800 0.014 0.000 0.947 447 D HN 0.325 nan 8.370 nan 0.000 0.509 448 R N 0.810 121.421 120.500 0.185 0.000 2.303 448 R HA -0.002 4.338 4.340 -0.000 0.000 0.225 448 R C 0.994 177.283 176.300 -0.019 0.000 1.114 448 R CA 1.095 57.318 56.100 0.204 0.000 1.007 448 R CB -0.420 29.967 30.300 0.145 0.000 0.861 448 R HN -0.029 nan 8.270 nan 0.000 0.471 449 N N 0.284 118.887 118.700 -0.161 0.000 2.412 449 N HA -0.033 4.707 4.740 -0.000 0.000 0.184 449 N C -0.406 174.957 175.510 -0.245 0.000 1.101 449 N CA 0.254 53.163 53.050 -0.235 0.000 0.881 449 N CB 0.059 38.356 38.487 -0.317 0.000 0.969 449 N HN 0.369 nan 8.380 nan 0.000 0.459 450 H N 1.576 120.561 119.070 -0.142 0.000 2.742 450 H HA 0.096 4.652 4.556 -0.000 0.000 0.302 450 H C -1.201 173.962 175.328 -0.274 0.000 1.069 450 H CA -1.205 54.740 56.048 -0.171 0.000 1.446 450 H CB 1.540 31.237 29.762 -0.107 0.000 1.462 450 H HN 0.030 nan 8.280 nan 0.000 0.499 451 P HA -0.154 nan 4.420 nan 0.000 0.218 451 P C 1.384 178.265 177.300 -0.698 0.000 1.148 451 P CA 1.167 63.922 63.100 -0.574 0.000 0.822 451 P CB 0.213 31.318 31.700 -0.991 0.000 0.784 452 S N -1.311 114.049 115.700 -0.566 0.000 2.447 452 S HA -0.013 4.457 4.470 -0.000 0.000 0.233 452 S C 1.052 175.616 174.600 -0.061 0.000 1.006 452 S CA 0.170 58.212 58.200 -0.262 0.000 0.957 452 S CB -1.311 61.854 63.200 -0.058 0.000 0.773 452 S HN -0.069 nan 8.310 nan 0.000 0.507 453 V N 3.476 123.314 119.914 -0.127 0.000 2.470 453 V HA 0.262 4.382 4.120 -0.000 0.000 0.276 453 V C 0.984 176.929 176.094 -0.248 0.000 1.040 453 V CA -0.077 62.114 62.300 -0.181 0.000 1.008 453 V CB 0.615 32.236 31.823 -0.337 0.000 0.990 453 V HN 0.627 nan 8.190 nan 0.000 0.477 454 I N 2.662 123.129 120.570 -0.173 0.000 4.327 454 I HA 0.526 4.696 4.170 -0.000 0.000 0.331 454 I C 0.240 176.230 176.117 -0.210 0.000 1.348 454 I CA 0.335 61.541 61.300 -0.157 0.000 1.152 454 I CB 0.495 38.481 38.000 -0.023 0.000 1.151 454 I HN 0.311 nan 8.210 nan 0.000 0.410 455 I N 0.247 120.665 120.570 -0.254 0.000 2.752 455 I HA 0.369 4.539 4.170 -0.000 0.000 0.295 455 I C -1.626 174.372 176.117 -0.199 0.000 1.219 455 I CA -0.433 60.760 61.300 -0.177 0.000 1.030 455 I CB 2.167 40.161 38.000 -0.009 0.000 1.259 455 I HN 0.014 nan 8.210 nan 0.000 0.423 456 W N 3.549 124.894 121.300 0.075 0.000 2.496 456 W HA 0.637 5.297 4.660 -0.000 0.000 0.327 456 W C 0.312 176.894 176.519 0.105 0.000 1.086 456 W CA -0.703 56.693 57.345 0.085 0.000 1.222 456 W CB 1.724 31.228 29.460 0.074 0.000 1.304 456 W HN 0.309 nan 8.180 nan 0.000 0.547 457 S N 2.894 118.824 115.700 0.383 0.000 2.532 457 S HA 0.390 4.860 4.470 -0.000 0.000 0.299 457 S C 0.250 175.020 174.600 0.283 0.000 1.105 457 S CA -0.710 57.665 58.200 0.291 0.000 1.018 457 S CB 0.816 64.141 63.200 0.208 0.000 1.021 457 S HN 0.595 nan 8.310 nan 0.000 0.483 458 L N 4.096 125.484 121.223 0.275 0.000 2.610 458 L HA 0.317 4.657 4.340 -0.000 0.000 0.232 458 L C 1.425 178.390 176.870 0.159 0.000 1.149 458 L CA 0.578 55.517 54.840 0.165 0.000 0.872 458 L CB -1.217 40.846 42.059 0.007 0.000 0.992 458 L HN 0.999 nan 8.230 nan 0.000 0.447 459 G N -0.004 108.960 108.800 0.274 0.000 2.250 459 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.252 459 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.252 459 G C -1.662 173.430 174.900 0.320 0.000 1.325 459 G CA -0.529 44.728 45.100 0.262 0.000 1.091 459 G HN 0.182 nan 8.290 nan 0.000 0.476 460 N N 0.184 119.025 118.700 0.234 0.000 2.504 460 N HA 0.438 5.178 4.740 -0.000 0.000 0.268 460 N C -0.530 174.944 175.510 -0.059 0.000 1.184 460 N CA 0.148 53.194 53.050 -0.007 0.000 0.875 460 N CB 1.398 39.621 38.487 -0.441 0.000 1.630 460 N HN 0.947 nan 8.380 nan 0.000 0.486 461 E N 0.720 120.791 120.200 -0.216 0.000 2.131 461 E HA -0.198 4.152 4.350 -0.000 0.000 0.166 461 E C -0.840 175.691 176.600 -0.115 0.000 1.514 461 E CA 0.791 56.993 56.400 -0.330 0.000 0.646 461 E CB -1.562 27.646 29.700 -0.821 0.000 1.051 461 E HN 0.417 nan 8.360 nan 0.000 0.315 462 S N 0.057 115.834 115.700 0.128 0.000 2.941 462 S HA 0.415 4.885 4.470 -0.000 0.000 0.251 462 S C 0.762 175.534 174.600 0.287 0.000 1.029 462 S CA -0.177 58.148 58.200 0.208 0.000 1.062 462 S CB 1.405 64.776 63.200 0.285 0.000 0.977 462 S HN 0.903 nan 8.310 nan 0.000 0.552 463 G N 2.060 110.974 108.800 0.190 0.000 2.575 463 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.267 463 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.267 463 G C -0.501 174.619 174.900 0.367 0.000 1.264 463 G CA 0.020 45.234 45.100 0.190 0.000 0.935 463 G HN 0.648 nan 8.290 nan 0.000 0.568 464 H N 0.498 119.697 119.070 0.215 0.000 2.840 464 H HA 0.582 5.138 4.556 -0.000 0.000 0.340 464 H C 0.156 175.663 175.328 0.298 0.000 1.004 464 H CA 0.089 56.291 56.048 0.257 0.000 1.288 464 H CB 0.936 30.777 29.762 0.132 0.000 1.607 464 H HN 1.220 nan 8.280 nan 0.000 0.522 465 G N 1.400 110.203 108.800 0.005 0.000 2.680 465 G HA2 0.458 4.417 3.960 -0.000 0.000 0.290 465 G HA3 0.458 4.417 3.960 -0.000 0.000 0.290 465 G C 0.501 175.231 174.900 -0.283 0.000 1.355 465 G CA -0.162 44.795 45.100 -0.237 0.000 0.903 465 G HN 0.657 nan 8.290 nan 0.000 0.474 466 A N 0.370 123.072 122.820 -0.197 0.000 1.986 466 A HA -0.121 4.199 4.320 -0.000 0.000 0.220 466 A C 2.117 179.664 177.584 -0.061 0.000 1.171 466 A CA 2.050 54.028 52.037 -0.097 0.000 0.640 466 A CB -0.461 18.508 19.000 -0.052 0.000 0.811 466 A HN 0.549 nan 8.150 nan 0.000 0.451 467 N N -0.298 118.322 118.700 -0.133 0.000 2.205 467 N HA -0.156 4.584 4.740 -0.000 0.000 0.186 467 N C 1.372 176.819 175.510 -0.106 0.000 1.015 467 N CA 1.727 54.693 53.050 -0.141 0.000 0.862 467 N CB -0.704 37.667 38.487 -0.192 0.000 0.986 467 N HN 0.802 nan 8.380 nan 0.000 0.429 468 H N 0.485 119.509 119.070 -0.076 0.000 2.321 468 H HA -0.038 4.518 4.556 -0.000 0.000 0.300 468 H C 1.275 176.654 175.328 0.086 0.000 1.087 468 H CA 1.329 57.348 56.048 -0.048 0.000 1.319 468 H CB 0.130 29.855 29.762 -0.061 0.000 1.379 468 H HN 0.164 nan 8.280 nan 0.000 0.501 469 D N 0.495 121.040 120.400 0.242 0.000 2.104 469 D HA -0.158 4.482 4.640 -0.000 0.000 0.194 469 D C 2.301 178.749 176.300 0.248 0.000 0.994 469 D CA 1.244 55.386 54.000 0.236 0.000 0.830 469 D CB -0.561 40.348 40.800 0.181 0.000 0.959 469 D HN 0.431 nan 8.370 nan 0.000 0.452 470 A N 0.700 123.616 122.820 0.160 0.000 1.908 470 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 470 A C 2.407 180.102 177.584 0.184 0.000 1.181 470 A CA 1.018 53.142 52.037 0.145 0.000 0.627 470 A CB -0.741 18.302 19.000 0.072 0.000 0.818 470 A HN 0.217 nan 8.150 nan 0.000 0.445 471 L N -2.314 119.005 121.223 0.162 0.000 2.109 471 L HA -0.131 4.209 4.340 -0.000 0.000 0.207 471 L C 2.561 179.580 176.870 0.248 0.000 1.086 471 L CA 1.475 56.411 54.840 0.161 0.000 0.760 471 L CB -0.682 41.406 42.059 0.048 0.000 0.910 471 L HN 0.599 nan 8.230 nan 0.000 0.437 472 Y N 0.911 121.296 120.300 0.143 0.000 2.081 472 Y HA -0.309 4.241 4.550 -0.000 0.000 0.280 472 Y C 2.899 178.881 175.900 0.137 0.000 1.163 472 Y CA 1.599 59.784 58.100 0.142 0.000 1.135 472 Y CB -0.207 38.337 38.460 0.139 0.000 0.970 472 Y HN -0.058 nan 8.280 nan 0.000 0.498 473 R N 0.054 120.682 120.500 0.213 0.000 2.083 473 R HA -0.253 4.087 4.340 -0.000 0.000 0.237 473 R C 2.116 178.419 176.300 0.005 0.000 1.137 473 R CA 2.048 58.200 56.100 0.086 0.000 0.951 473 R CB -1.736 28.685 30.300 0.202 0.000 0.851 473 R HN 0.681 nan 8.270 nan 0.000 0.434 474 W N 1.243 122.504 121.300 -0.065 0.000 2.318 474 W HA -0.197 4.463 4.660 -0.000 0.000 0.313 474 W C 1.964 178.392 176.519 -0.152 0.000 1.221 474 W CA 1.955 59.246 57.345 -0.090 0.000 1.266 474 W CB -0.442 28.969 29.460 -0.081 0.000 1.150 474 W HN 0.035 nan 8.180 nan 0.000 0.496 475 I N 0.648 121.204 120.570 -0.024 0.000 2.226 475 I HA -0.335 3.835 4.170 -0.000 0.000 0.245 475 I C 2.405 178.287 176.117 -0.390 0.000 1.100 475 I CA 1.337 62.450 61.300 -0.311 0.000 1.374 475 I CB -0.911 36.988 38.000 -0.169 0.000 1.057 475 I HN -0.092 nan 8.210 nan 0.000 0.413 476 K N 1.103 121.302 120.400 -0.335 0.000 2.113 476 K HA -0.139 4.181 4.320 -0.000 0.000 0.208 476 K C 2.221 178.670 176.600 -0.251 0.000 1.047 476 K CA 1.659 57.776 56.287 -0.285 0.000 0.928 476 K CB -0.588 31.731 32.500 -0.301 0.000 0.716 476 K HN 0.354 nan 8.250 nan 0.000 0.446 477 S N 0.401 115.911 115.700 -0.316 0.000 2.395 477 S HA -0.037 4.433 4.470 -0.000 0.000 0.225 477 S C 2.229 176.604 174.600 -0.375 0.000 1.027 477 S CA 0.795 58.816 58.200 -0.298 0.000 0.965 477 S CB -0.169 62.868 63.200 -0.272 0.000 0.812 477 S HN -0.013 nan 8.310 nan 0.000 0.482 478 V N 1.377 120.927 119.914 -0.607 0.000 2.535 478 V HA 0.058 4.178 4.120 -0.000 0.000 0.246 478 V C 0.378 176.235 176.094 -0.395 0.000 1.045 478 V CA 1.249 63.179 62.300 -0.616 0.000 1.058 478 V CB -0.256 30.878 31.823 -1.148 0.000 0.689 478 V HN 0.394 nan 8.190 nan 0.000 0.461 479 D N -0.879 119.326 120.400 -0.326 0.000 2.336 479 D HA 0.264 4.904 4.640 -0.000 0.000 0.248 479 D C -2.238 174.044 176.300 -0.031 0.000 1.326 479 D CA -1.655 52.271 54.000 -0.124 0.000 0.973 479 D CB 1.901 42.709 40.800 0.013 0.000 1.255 479 D HN 0.070 nan 8.370 nan 0.000 0.558 480 P HA 0.003 nan 4.420 nan 0.000 0.240 480 P C 1.200 178.517 177.300 0.028 0.000 1.190 480 P CA 0.287 63.376 63.100 -0.019 0.000 0.781 480 P CB 0.287 31.967 31.700 -0.034 0.000 0.931 481 S N -0.608 115.120 115.700 0.047 0.000 2.481 481 S HA -0.003 4.467 4.470 -0.000 0.000 0.231 481 S C 0.890 175.519 174.600 0.049 0.000 0.996 481 S CA 0.098 58.330 58.200 0.053 0.000 0.942 481 S CB -0.434 62.792 63.200 0.043 0.000 0.768 481 S HN 0.088 nan 8.310 nan 0.000 0.520 482 R N 0.824 121.373 120.500 0.082 0.000 2.725 482 R HA 0.599 4.939 4.340 -0.000 0.000 0.277 482 R C -3.210 173.155 176.300 0.109 0.000 0.987 482 R CA -2.321 53.800 56.100 0.035 0.000 0.901 482 R CB 1.438 31.650 30.300 -0.146 0.000 1.207 482 R HN 0.142 nan 8.270 nan 0.000 0.463 483 P HA 0.219 nan 4.420 nan 0.000 0.276 483 P C -0.821 176.582 177.300 0.170 0.000 1.244 483 P CA -0.525 62.638 63.100 0.105 0.000 0.801 483 P CB 0.866 32.611 31.700 0.075 0.000 1.006 484 V N 2.138 122.176 119.914 0.207 0.000 2.555 484 V HA 0.451 4.571 4.120 -0.000 0.000 0.302 484 V C 0.169 176.441 176.094 0.297 0.000 1.038 484 V CA -0.388 62.082 62.300 0.282 0.000 0.887 484 V CB 1.375 33.350 31.823 0.253 0.000 0.991 484 V HN 0.652 nan 8.190 nan 0.000 0.434 485 Q N 3.433 123.394 119.800 0.268 0.000 2.451 485 Q HA 0.820 5.160 4.340 -0.000 0.000 0.281 485 Q C -1.798 174.364 176.000 0.271 0.000 1.099 485 Q CA -0.980 54.952 55.803 0.215 0.000 0.806 485 Q CB 2.955 31.765 28.738 0.121 0.000 1.419 485 Q HN 0.652 nan 8.270 nan 0.000 0.427 486 Y N 0.128 120.447 120.300 0.032 0.000 2.357 486 Y HA 0.145 4.695 4.550 -0.000 0.000 0.319 486 Y C -0.444 175.409 175.900 -0.080 0.000 1.225 486 Y CA -0.633 57.455 58.100 -0.021 0.000 1.095 486 Y CB 2.016 40.458 38.460 -0.030 0.000 1.302 486 Y HN 0.958 nan 8.280 nan 0.000 0.429 487 E N 3.555 123.282 120.200 -0.789 0.000 2.250 487 E HA 0.113 4.463 4.350 -0.000 0.000 0.192 487 E C 0.749 176.918 176.600 -0.718 0.000 0.986 487 E CA 0.800 56.838 56.400 -0.602 0.000 0.849 487 E CB 0.187 29.648 29.700 -0.397 0.000 0.797 487 E HN 0.900 nan 8.360 nan 0.000 0.482 488 G N 0.004 107.977 108.800 -1.379 0.000 2.464 488 G HA2 0.173 4.133 3.960 -0.000 0.000 0.231 488 G HA3 0.173 4.133 3.960 -0.000 0.000 0.231 488 G C 0.790 175.552 174.900 -0.229 0.000 1.267 488 G CA 0.372 45.062 45.100 -0.684 0.000 0.863 488 G HN 0.383 nan 8.290 nan 0.000 0.559 489 G N -0.357 108.407 108.800 -0.060 0.000 2.221 489 G HA2 0.233 4.193 3.960 -0.000 0.000 0.265 489 G HA3 0.233 4.193 3.960 -0.000 0.000 0.265 489 G C 1.291 176.189 174.900 -0.004 0.000 1.041 489 G CA 1.002 46.122 45.100 0.033 0.000 0.807 489 G HN 2.636 nan 8.290 nan 0.000 0.502 490 G N -1.663 107.131 108.800 -0.009 0.000 2.229 490 G HA2 0.410 4.370 3.960 -0.000 0.000 0.189 490 G HA3 0.410 4.370 3.960 -0.000 0.000 0.189 490 G C 1.104 176.102 174.900 0.164 0.000 1.000 490 G CA 1.307 46.456 45.100 0.082 0.000 0.663 490 G HN 2.356 nan 8.290 nan 0.000 0.493 491 A N -0.221 122.591 122.820 -0.013 0.000 3.413 491 A HA -0.107 4.212 4.320 -0.000 0.000 0.268 491 A C 1.103 178.648 177.584 -0.065 0.000 1.128 491 A CA 2.657 54.640 52.037 -0.090 0.000 1.062 491 A CB -1.804 17.107 19.000 -0.148 0.000 1.121 491 A HN 2.109 nan 8.150 nan 0.000 0.895 492 D N -1.162 119.266 120.400 0.047 0.000 2.636 492 D HA 0.295 4.935 4.640 -0.000 0.000 0.270 492 D C 0.460 176.756 176.300 -0.008 0.000 1.430 492 D CA 0.824 54.862 54.000 0.063 0.000 0.796 492 D CB -1.158 39.821 40.800 0.298 0.000 1.117 492 D HN 0.839 nan 8.370 nan 0.000 0.480 493 T N -2.660 111.823 114.554 -0.118 0.000 2.698 493 T HA 0.128 4.478 4.350 -0.000 0.000 0.295 493 T C 1.624 176.197 174.700 -0.212 0.000 1.007 493 T CA 0.564 62.523 62.100 -0.236 0.000 0.980 493 T CB 1.090 69.607 68.868 -0.586 0.000 1.036 493 T HN 0.056 nan 8.240 nan 0.000 0.526 494 T N -1.574 112.840 114.554 -0.233 0.000 3.007 494 T HA 0.039 4.389 4.350 -0.000 0.000 0.270 494 T C 1.713 176.148 174.700 -0.443 0.000 1.107 494 T CA 0.879 62.850 62.100 -0.215 0.000 1.118 494 T CB -0.893 67.920 68.868 -0.093 0.000 0.889 494 T HN 0.845 nan 8.240 nan 0.000 0.506 495 A N 0.111 122.702 122.820 -0.381 0.000 2.337 495 A HA 0.451 4.771 4.320 -0.000 0.000 0.227 495 A C 1.010 178.405 177.584 -0.315 0.000 1.259 495 A CA 0.115 51.871 52.037 -0.467 0.000 0.870 495 A CB -0.220 18.777 19.000 -0.005 0.000 0.927 495 A HN 0.504 nan 8.150 nan 0.000 0.497 496 T N -1.691 112.719 114.554 -0.241 0.000 2.912 496 T HA 0.390 4.740 4.350 -0.000 0.000 0.299 496 T C -0.544 174.186 174.700 0.049 0.000 1.052 496 T CA -0.468 61.638 62.100 0.011 0.000 0.996 496 T CB 1.351 70.225 68.868 0.011 0.000 1.070 496 T HN 0.071 nan 8.240 nan 0.000 0.465 497 D N 2.535 123.042 120.400 0.179 0.000 2.348 497 D HA 0.306 4.946 4.640 -0.000 0.000 0.211 497 D C 0.276 176.614 176.300 0.062 0.000 0.998 497 D CA 0.671 54.761 54.000 0.150 0.000 0.873 497 D CB 0.397 41.313 40.800 0.193 0.000 0.925 497 D HN 0.524 nan 8.370 nan 0.000 0.524 498 I N 0.602 121.190 120.570 0.030 0.000 2.686 498 I HA 0.262 4.432 4.170 -0.000 0.000 0.295 498 I C -0.382 175.680 176.117 -0.091 0.000 1.114 498 I CA -0.947 60.336 61.300 -0.029 0.000 1.038 498 I CB 2.977 40.968 38.000 -0.016 0.000 1.238 498 I HN -0.358 nan 8.210 nan 0.000 0.420 499 I N 5.158 125.630 120.570 -0.163 0.000 2.436 499 I HA 0.096 4.266 4.170 -0.000 0.000 0.289 499 I C -0.001 175.925 176.117 -0.319 0.000 1.083 499 I CA -0.054 61.064 61.300 -0.303 0.000 1.372 499 I CB 0.164 37.888 38.000 -0.459 0.000 1.408 499 I HN 0.633 nan 8.210 nan 0.000 0.516 500 C N 5.493 124.620 119.300 -0.288 0.000 3.414 500 C HA 0.486 4.946 4.460 -0.000 0.000 0.208 500 C C -2.223 172.628 174.990 -0.231 0.000 1.422 500 C CA -2.274 56.615 59.018 -0.216 0.000 1.437 500 C CB -0.925 26.746 27.740 -0.115 0.000 1.850 500 C HN 0.399 nan 8.230 nan 0.000 0.481 501 P HA 0.371 nan 4.420 nan 0.000 0.274 501 P C -0.464 176.762 177.300 -0.124 0.000 1.256 501 P CA 0.075 63.051 63.100 -0.206 0.000 0.795 501 P CB 0.726 32.281 31.700 -0.243 0.000 1.038 502 M N -0.158 119.397 119.600 -0.075 0.000 2.181 502 M HA 0.462 4.942 4.480 -0.000 0.000 0.323 502 M C -0.942 175.333 176.300 -0.042 0.000 1.004 502 M CA -0.598 54.576 55.300 -0.210 0.000 0.941 502 M CB 1.276 33.726 32.600 -0.249 0.000 1.579 502 M HN 0.348 nan 8.290 nan 0.000 0.427 503 Y N -0.114 120.325 120.300 0.232 0.000 4.490 503 Y HA -0.214 4.336 4.550 -0.000 0.000 0.233 503 Y C 0.478 176.525 175.900 0.245 0.000 1.101 503 Y CA 0.427 58.668 58.100 0.235 0.000 2.010 503 Y CB -2.256 36.312 38.460 0.181 0.000 1.622 503 Y HN 0.988 nan 8.280 nan 0.000 0.675 504 A N 1.271 124.289 122.820 0.330 0.000 2.425 504 A HA 0.580 4.900 4.320 -0.000 0.000 0.249 504 A C 0.707 178.485 177.584 0.324 0.000 1.084 504 A CA -0.476 51.757 52.037 0.327 0.000 0.781 504 A CB 0.394 19.612 19.000 0.364 0.000 1.019 504 A HN 0.398 nan 8.150 nan 0.000 0.490 505 R N 1.567 122.194 120.500 0.212 0.000 2.577 505 R HA 0.300 4.639 4.340 -0.000 0.000 0.269 505 R C 0.980 177.251 176.300 -0.048 0.000 1.084 505 R CA -0.731 55.429 56.100 0.101 0.000 1.163 505 R CB 0.578 30.913 30.300 0.058 0.000 1.100 505 R HN 0.480 nan 8.270 nan 0.000 0.547 506 V N 0.861 120.596 119.914 -0.300 0.000 2.261 506 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 506 V C 1.027 177.001 176.094 -0.201 0.000 1.047 506 V CA 1.934 64.004 62.300 -0.384 0.000 1.015 506 V CB -0.244 31.238 31.823 -0.568 0.000 0.642 506 V HN 0.780 nan 8.190 nan 0.000 0.446 507 D N -0.968 119.347 120.400 -0.141 0.000 2.474 507 D HA 0.107 4.747 4.640 -0.000 0.000 0.213 507 D C 0.624 176.905 176.300 -0.032 0.000 1.120 507 D CA 0.070 54.022 54.000 -0.080 0.000 0.836 507 D CB 0.596 41.353 40.800 -0.071 0.000 1.019 507 D HN 0.690 nan 8.370 nan 0.000 0.507 508 E N 1.184 121.373 120.200 -0.019 0.000 2.191 508 E HA 0.368 4.718 4.350 -0.000 0.000 0.274 508 E C -0.857 175.749 176.600 0.009 0.000 0.948 508 E CA -0.773 55.624 56.400 -0.004 0.000 0.802 508 E CB 1.618 31.312 29.700 -0.010 0.000 1.137 508 E HN -0.295 nan 8.360 nan 0.000 0.397 509 D N 2.342 122.744 120.400 0.003 0.000 2.225 509 D HA 0.148 4.788 4.640 -0.000 0.000 0.249 509 D C -0.608 175.590 176.300 -0.171 0.000 1.052 509 D CA -0.219 53.773 54.000 -0.014 0.000 0.909 509 D CB 1.358 42.216 40.800 0.097 0.000 1.186 509 D HN 0.407 nan 8.370 nan 0.000 0.431 510 Q N 1.578 121.163 119.800 -0.358 0.000 2.558 510 Q HA 0.267 4.607 4.340 -0.000 0.000 0.252 510 Q C -2.286 173.039 176.000 -1.125 0.000 1.015 510 Q CA -1.595 53.787 55.803 -0.702 0.000 0.720 510 Q CB 2.449 30.812 28.738 -0.625 0.000 1.215 510 Q HN 0.134 nan 8.270 nan 0.000 0.500 511 P HA 0.067 nan 4.420 nan 0.000 0.214 511 P C -0.782 176.170 177.300 -0.580 0.000 1.826 511 P CA -0.153 62.509 63.100 -0.730 0.000 0.977 511 P CB -0.545 30.931 31.700 -0.372 0.000 1.930 512 F N 2.295 122.096 119.950 -0.247 0.000 2.459 512 F HA 0.240 4.767 4.527 -0.000 0.000 0.346 512 F C -1.187 174.507 175.800 -0.176 0.000 1.128 512 F CA -2.605 55.294 58.000 -0.168 0.000 1.268 512 F CB -0.450 38.469 39.000 -0.136 0.000 1.161 512 F HN 0.045 nan 8.300 nan 0.000 0.583 513 P HA 0.063 nan 4.420 nan 0.000 0.268 513 P C 0.339 177.657 177.300 0.029 0.000 1.204 513 P CA 0.914 64.033 63.100 0.031 0.000 0.768 513 P CB 1.151 32.870 31.700 0.032 0.000 0.842 514 A N 3.016 125.839 122.820 0.005 0.000 3.292 514 A HA -0.247 4.073 4.320 -0.000 0.000 0.241 514 A C 0.687 178.271 177.584 -0.000 0.000 0.569 514 A CA 2.063 54.106 52.037 0.010 0.000 1.149 514 A CB -2.638 16.372 19.000 0.016 0.000 1.321 514 A HN 0.736 nan 8.150 nan 0.000 0.679 515 V N -3.724 116.191 119.914 0.001 0.000 2.703 515 V HA 0.542 4.662 4.120 -0.000 0.000 0.290 515 V C -2.641 173.455 176.094 0.004 0.000 1.035 515 V CA -1.103 61.196 62.300 -0.002 0.000 1.185 515 V CB 0.825 32.661 31.823 0.022 0.000 1.178 515 V HN 0.444 nan 8.190 nan 0.000 0.562 516 P HA 0.342 nan 4.420 nan 0.000 0.272 516 P C -0.712 176.117 177.300 -0.785 0.000 1.230 516 P CA 0.091 62.809 63.100 -0.636 0.000 0.788 516 P CB 0.990 31.919 31.700 -1.286 0.000 0.949 517 K N 1.916 121.874 120.400 -0.736 0.000 2.464 517 K HA 0.234 4.554 4.320 -0.000 0.000 0.252 517 K C -0.518 175.789 176.600 -0.489 0.000 1.000 517 K CA -0.263 55.785 56.287 -0.399 0.000 0.951 517 K CB 0.698 33.255 32.500 0.094 0.000 1.183 517 K HN 0.488 nan 8.250 nan 0.000 0.445 518 W N 1.584 122.623 121.300 -0.435 0.000 2.126 518 W HA 0.046 4.706 4.660 -0.000 0.000 0.346 518 W C 1.346 177.892 176.519 0.045 0.000 1.279 518 W CA -0.672 56.506 57.345 -0.278 0.000 1.259 518 W CB 0.534 29.670 29.460 -0.539 0.000 1.133 518 W HN 0.441 nan 8.180 nan 0.000 0.592 519 S N 3.202 119.071 115.700 0.282 0.000 2.558 519 S HA -0.077 4.393 4.470 -0.000 0.000 0.288 519 S C 1.081 175.831 174.600 0.249 0.000 1.318 519 S CA -0.210 58.094 58.200 0.172 0.000 1.056 519 S CB 0.286 63.519 63.200 0.055 0.000 0.853 519 S HN 0.555 nan 8.310 nan 0.000 0.505 520 I N 1.098 121.771 120.570 0.171 0.000 2.454 520 I HA -0.159 4.010 4.170 -0.000 0.000 0.254 520 I C 1.854 177.987 176.117 0.027 0.000 1.156 520 I CA 1.109 62.509 61.300 0.166 0.000 1.433 520 I CB -0.573 37.458 38.000 0.051 0.000 1.082 520 I HN 0.663 nan 8.210 nan 0.000 0.432 521 K N 2.136 122.457 120.400 -0.132 0.000 2.097 521 K HA -0.173 4.147 4.320 -0.000 0.000 0.205 521 K C 2.152 178.728 176.600 -0.039 0.000 1.050 521 K CA 1.604 57.736 56.287 -0.258 0.000 0.938 521 K CB -0.338 31.897 32.500 -0.442 0.000 0.718 521 K HN 0.440 nan 8.250 nan 0.000 0.442 522 K N 0.700 121.104 120.400 0.007 0.000 2.103 522 K HA -0.150 4.170 4.320 -0.000 0.000 0.204 522 K C 1.924 178.525 176.600 0.002 0.000 1.052 522 K CA 0.680 56.953 56.287 -0.023 0.000 0.945 522 K CB -0.091 32.365 32.500 -0.073 0.000 0.722 522 K HN 0.195 nan 8.250 nan 0.000 0.443 523 W N 2.039 123.298 121.300 -0.068 0.000 2.321 523 W HA -0.208 4.452 4.660 -0.000 0.000 0.306 523 W C 1.551 178.029 176.519 -0.068 0.000 1.217 523 W CA 1.295 58.610 57.345 -0.051 0.000 1.257 523 W CB -0.576 28.954 29.460 0.117 0.000 1.145 523 W HN 0.120 nan 8.180 nan 0.000 0.509 524 L N 0.851 122.216 121.223 0.237 0.000 2.127 524 L HA -0.255 4.085 4.340 -0.000 0.000 0.211 524 L C 2.565 179.487 176.870 0.087 0.000 1.089 524 L CA 1.912 56.832 54.840 0.133 0.000 0.757 524 L CB -0.991 41.125 42.059 0.095 0.000 0.899 524 L HN -0.004 nan 8.230 nan 0.000 0.434 525 S N -0.955 114.774 115.700 0.047 0.000 2.558 525 S HA 0.108 4.578 4.470 -0.000 0.000 0.217 525 S C 0.824 175.396 174.600 -0.048 0.000 0.975 525 S CA -0.407 57.793 58.200 0.001 0.000 0.912 525 S CB -0.463 62.732 63.200 -0.008 0.000 0.776 525 S HN 0.205 nan 8.310 nan 0.000 0.526 526 L N 2.522 123.699 121.223 -0.076 0.000 2.543 526 L HA 0.195 4.535 4.340 -0.000 0.000 0.285 526 L C -2.227 174.606 176.870 -0.062 0.000 1.236 526 L CA -1.542 53.218 54.840 -0.134 0.000 0.871 526 L CB -0.418 41.526 42.059 -0.192 0.000 1.121 526 L HN 0.065 nan 8.230 nan 0.000 0.501 527 P HA -0.010 nan 4.420 nan 0.000 0.260 527 P C 0.841 178.130 177.300 -0.019 0.000 1.185 527 P CA 0.930 64.004 63.100 -0.043 0.000 0.763 527 P CB 0.626 32.296 31.700 -0.051 0.000 0.776 528 G N 2.068 110.864 108.800 -0.006 0.000 2.225 528 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.254 528 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.254 528 G C 0.242 175.155 174.900 0.022 0.000 0.988 528 G CA 0.074 45.179 45.100 0.008 0.000 0.625 528 G HN 0.626 nan 8.290 nan 0.000 0.527 529 E N 1.242 121.460 120.200 0.030 0.000 2.344 529 E HA 0.556 4.906 4.350 -0.000 0.000 0.270 529 E C 1.420 178.043 176.600 0.038 0.000 1.021 529 E CA 0.833 57.265 56.400 0.053 0.000 0.887 529 E CB 0.768 30.528 29.700 0.101 0.000 0.997 529 E HN 0.577 nan 8.360 nan 0.000 0.429 530 T N 0.749 115.322 114.554 0.033 0.000 3.009 530 T HA 0.312 4.661 4.350 -0.000 0.000 0.267 530 T C 0.625 175.333 174.700 0.014 0.000 0.942 530 T CA -0.430 61.683 62.100 0.022 0.000 0.883 530 T CB 0.091 68.971 68.868 0.020 0.000 1.192 530 T HN 0.265 nan 8.240 nan 0.000 0.524 531 R N 2.271 122.776 120.500 0.009 0.000 2.707 531 R HA 0.436 4.775 4.340 -0.000 0.000 0.270 531 R C -2.523 173.759 176.300 -0.031 0.000 1.083 531 R CA -1.590 54.505 56.100 -0.009 0.000 1.182 531 R CB -0.000 30.289 30.300 -0.018 0.000 1.084 531 R HN 0.254 nan 8.270 nan 0.000 0.528 532 P HA 0.167 nan 4.420 nan 0.000 0.278 532 P C -1.152 176.080 177.300 -0.115 0.000 1.258 532 P CA -0.279 62.780 63.100 -0.069 0.000 0.811 532 P CB 0.736 32.395 31.700 -0.068 0.000 1.063 533 L N 1.971 123.106 121.223 -0.148 0.000 2.381 533 L HA 0.611 4.951 4.340 -0.000 0.000 0.274 533 L C -1.236 175.496 176.870 -0.231 0.000 0.988 533 L CA -0.685 54.029 54.840 -0.210 0.000 0.824 533 L CB 0.855 42.774 42.059 -0.234 0.000 1.263 533 L HN 0.228 nan 8.230 nan 0.000 0.410 534 I N 5.331 125.768 120.570 -0.222 0.000 2.512 534 I HA 0.280 4.450 4.170 -0.000 0.000 0.287 534 I C -0.907 175.110 176.117 -0.167 0.000 1.069 534 I CA -0.539 60.620 61.300 -0.235 0.000 1.056 534 I CB 2.098 40.006 38.000 -0.153 0.000 1.229 534 I HN 0.463 nan 8.210 nan 0.000 0.429 535 L N 5.562 126.659 121.223 -0.212 0.000 2.367 535 L HA 0.117 4.457 4.340 -0.000 0.000 0.275 535 L C 1.382 178.315 176.870 0.105 0.000 1.129 535 L CA -0.214 54.565 54.840 -0.101 0.000 0.839 535 L CB 0.764 42.743 42.059 -0.132 0.000 1.133 535 L HN 0.862 nan 8.230 nan 0.000 0.453 536 C N 0.024 119.366 119.300 0.070 0.000 2.464 536 C HA 0.174 4.634 4.460 -0.000 0.000 0.278 536 C C 0.679 175.784 174.990 0.191 0.000 1.375 536 C CA -0.146 58.956 59.018 0.141 0.000 1.761 536 C CB -0.964 26.776 27.740 -0.000 0.000 1.944 536 C HN 0.843 nan 8.230 nan 0.000 0.509 537 E N -0.900 119.334 120.200 0.056 0.000 2.304 537 E HA 0.635 4.985 4.350 -0.000 0.000 0.277 537 E C -1.272 175.245 176.600 -0.139 0.000 0.898 537 E CA -0.399 55.998 56.400 -0.006 0.000 0.764 537 E CB 2.035 31.486 29.700 -0.415 0.000 1.216 537 E HN 0.645 nan 8.360 nan 0.000 0.419 538 Y N -0.390 119.869 120.300 -0.069 0.000 2.656 538 Y HA 0.630 5.180 4.550 -0.000 0.000 0.334 538 Y C -0.731 175.326 175.900 0.262 0.000 1.179 538 Y CA -0.893 57.203 58.100 -0.007 0.000 1.050 538 Y CB 0.978 39.311 38.460 -0.212 0.000 1.308 538 Y HN 0.660 nan 8.280 nan 0.000 0.456 539 A N 2.224 125.099 122.820 0.091 0.000 2.303 539 A HA -0.273 4.047 4.320 -0.000 0.000 0.286 539 A C -0.246 177.454 177.584 0.194 0.000 1.429 539 A CA 1.075 53.154 52.037 0.070 0.000 0.738 539 A CB -2.499 16.420 19.000 -0.135 0.000 1.149 539 A HN 1.114 nan 8.150 nan 0.000 0.364 540 H N 0.547 119.760 119.070 0.238 0.000 3.237 540 H HA 0.159 4.715 4.556 -0.000 0.000 0.270 540 H C 1.267 176.638 175.328 0.071 0.000 0.900 540 H CA 0.802 56.984 56.048 0.223 0.000 1.415 540 H CB 0.386 30.155 29.762 0.012 0.000 1.484 540 H HN 0.840 nan 8.280 nan 0.000 0.540 541 A N 6.453 129.144 122.820 -0.215 0.000 2.416 541 A HA 0.030 4.350 4.320 -0.000 0.000 0.252 541 A C 0.981 178.386 177.584 -0.299 0.000 1.353 541 A CA -0.343 51.549 52.037 -0.242 0.000 0.996 541 A CB -0.535 18.317 19.000 -0.246 0.000 0.961 541 A HN 0.790 nan 8.150 nan 0.000 0.523 542 M N 1.313 120.701 119.600 -0.353 0.000 2.220 542 M HA 0.425 4.905 4.480 -0.000 0.000 0.343 542 M C 0.982 177.141 176.300 -0.235 0.000 1.470 542 M CA 1.240 56.369 55.300 -0.286 0.000 1.161 542 M CB -0.374 32.089 32.600 -0.229 0.000 1.737 542 M HN 0.771 nan 8.290 nan 0.000 0.464 543 G N 4.507 113.158 108.800 -0.248 0.000 2.550 543 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.277 543 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.277 543 G C -0.187 174.284 174.900 -0.715 0.000 1.190 543 G CA 0.069 44.887 45.100 -0.470 0.000 0.971 543 G HN 0.826 nan 8.290 nan 0.000 0.559 544 N N 1.498 119.602 118.700 -0.992 0.000 2.466 544 N HA 0.507 5.247 4.740 -0.000 0.000 0.263 544 N C 0.022 175.283 175.510 -0.415 0.000 1.178 544 N CA 1.110 53.698 53.050 -0.770 0.000 0.983 544 N CB 0.423 38.463 38.487 -0.745 0.000 1.331 544 N HN 0.747 nan 8.380 nan 0.000 0.500 545 S N 1.701 117.236 115.700 -0.275 0.000 3.144 545 S HA 0.580 5.050 4.470 -0.000 0.000 0.325 545 S C -0.112 174.412 174.600 -0.128 0.000 1.161 545 S CA -0.388 57.702 58.200 -0.184 0.000 0.920 545 S CB 0.164 63.274 63.200 -0.150 0.000 1.340 545 S HN 0.377 nan 8.310 nan 0.000 0.681 546 L N 0.207 121.383 121.223 -0.078 0.000 4.613 546 L HA -0.070 4.270 4.340 -0.000 0.000 0.409 546 L C 0.451 177.349 176.870 0.046 0.000 1.100 546 L CA 0.915 55.731 54.840 -0.040 0.000 1.029 546 L CB -1.729 40.225 42.059 -0.174 0.000 2.137 546 L HN 0.694 nan 8.230 nan 0.000 0.713 547 G N -0.758 108.042 108.800 -0.000 0.000 2.343 547 G HA2 0.486 4.446 3.960 -0.000 0.000 0.254 547 G HA3 0.486 4.446 3.960 -0.000 0.000 0.254 547 G C 1.214 176.157 174.900 0.070 0.000 1.277 547 G CA 0.192 45.276 45.100 -0.026 0.000 0.909 547 G HN 1.382 nan 8.290 nan 0.000 0.502 548 G N 1.875 110.729 108.800 0.091 0.000 2.179 548 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.220 548 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.220 548 G C 1.025 176.127 174.900 0.336 0.000 0.990 548 G CA 0.642 45.847 45.100 0.176 0.000 0.646 548 G HN 0.736 nan 8.290 nan 0.000 0.517 549 F N 2.068 122.148 119.950 0.216 0.000 2.087 549 F HA 0.014 4.541 4.527 -0.000 0.000 0.299 549 F C 2.739 178.772 175.800 0.387 0.000 1.100 549 F CA 2.854 61.051 58.000 0.328 0.000 1.226 549 F CB -0.532 38.587 39.000 0.199 0.000 0.983 549 F HN 0.382 nan 8.300 nan 0.000 0.479 550 A N -0.194 122.786 122.820 0.266 0.000 1.978 550 A HA -0.225 4.095 4.320 -0.000 0.000 0.220 550 A C 2.312 179.909 177.584 0.021 0.000 1.170 550 A CA 1.718 53.840 52.037 0.141 0.000 0.636 550 A CB -0.692 18.398 19.000 0.149 0.000 0.810 550 A HN 0.421 nan 8.150 nan 0.000 0.448 551 K N -1.388 119.008 120.400 -0.006 0.000 2.044 551 K HA -0.215 4.105 4.320 -0.000 0.000 0.210 551 K C 1.843 178.203 176.600 -0.401 0.000 1.049 551 K CA 2.048 58.239 56.287 -0.162 0.000 0.927 551 K CB -0.434 31.948 32.500 -0.196 0.000 0.713 551 K HN 0.665 nan 8.250 nan 0.000 0.443 552 Y N -0.516 119.495 120.300 -0.482 0.000 2.097 552 Y HA -0.279 4.271 4.550 -0.000 0.000 0.282 552 Y C 2.296 177.186 175.900 -1.683 0.000 1.152 552 Y CA 1.542 58.979 58.100 -1.106 0.000 1.136 552 Y CB -0.578 37.243 38.460 -1.065 0.000 0.975 552 Y HN 0.183 nan 8.280 nan 0.000 0.498 553 W N 0.367 121.228 121.300 -0.731 0.000 2.321 553 W HA -0.255 4.405 4.660 -0.000 0.000 0.306 553 W C 2.714 179.045 176.519 -0.314 0.000 1.217 553 W CA 2.045 59.093 57.345 -0.494 0.000 1.257 553 W CB -0.744 28.513 29.460 -0.339 0.000 1.145 553 W HN 0.153 nan 8.180 nan 0.000 0.509 554 Q N 0.202 119.894 119.800 -0.181 0.000 2.079 554 Q HA -0.187 4.153 4.340 -0.000 0.000 0.200 554 Q C 2.275 178.197 176.000 -0.130 0.000 0.974 554 Q CA 1.933 57.676 55.803 -0.100 0.000 0.840 554 Q CB -0.398 28.298 28.738 -0.070 0.000 0.898 554 Q HN 0.229 nan 8.270 nan 0.000 0.430 555 A N 0.356 123.000 122.820 -0.294 0.000 1.898 555 A HA -0.135 4.184 4.320 -0.000 0.000 0.216 555 A C 1.864 179.404 177.584 -0.074 0.000 1.181 555 A CA 1.123 53.032 52.037 -0.214 0.000 0.620 555 A CB -1.070 17.677 19.000 -0.422 0.000 0.819 555 A HN 0.535 nan 8.150 nan 0.000 0.442 556 F N -0.294 119.471 119.950 -0.308 0.000 2.120 556 F HA -0.242 4.285 4.527 -0.000 0.000 0.300 556 F C 2.757 178.452 175.800 -0.175 0.000 1.095 556 F CA 1.228 59.017 58.000 -0.353 0.000 1.249 556 F CB -0.191 38.395 39.000 -0.690 0.000 0.995 556 F HN 0.158 nan 8.300 nan 0.000 0.480 557 R N 0.037 120.590 120.500 0.089 0.000 2.148 557 R HA -0.183 4.157 4.340 -0.000 0.000 0.227 557 R C 2.067 178.400 176.300 0.054 0.000 1.103 557 R CA 1.285 57.423 56.100 0.064 0.000 0.983 557 R CB -0.383 29.950 30.300 0.055 0.000 0.874 557 R HN 0.429 nan 8.270 nan 0.000 0.451 558 Q N -0.417 119.445 119.800 0.103 0.000 2.376 558 Q HA -0.016 4.324 4.340 -0.000 0.000 0.206 558 Q C -0.583 175.440 176.000 0.040 0.000 0.921 558 Q CA 0.533 56.380 55.803 0.074 0.000 0.911 558 Q CB 0.534 29.332 28.738 0.100 0.000 1.032 558 Q HN 0.177 nan 8.270 nan 0.000 0.510 559 Y N 0.334 120.610 120.300 -0.040 0.000 2.334 559 Y HA 0.312 4.862 4.550 -0.000 0.000 0.336 559 Y C -1.807 174.064 175.900 -0.049 0.000 0.960 559 Y CA -2.915 55.161 58.100 -0.039 0.000 1.164 559 Y CB 1.505 39.945 38.460 -0.034 0.000 1.155 559 Y HN 0.072 nan 8.280 nan 0.000 0.478 560 P HA -0.222 nan 4.420 nan 0.000 0.215 560 P C 1.265 178.564 177.300 -0.001 0.000 1.163 560 P CA 1.885 64.988 63.100 0.004 0.000 0.894 560 P CB 0.335 32.022 31.700 -0.021 0.000 0.791 561 R N -1.097 119.420 120.500 0.028 0.000 2.316 561 R HA 0.065 4.405 4.340 -0.000 0.000 0.202 561 R C 0.544 176.820 176.300 -0.039 0.000 1.029 561 R CA 0.241 56.339 56.100 -0.003 0.000 1.018 561 R CB -0.554 29.755 30.300 0.015 0.000 0.888 561 R HN 0.289 nan 8.270 nan 0.000 0.471 562 L N 2.041 123.256 121.223 -0.015 0.000 2.282 562 L HA 0.130 4.470 4.340 -0.000 0.000 0.287 562 L C 0.683 177.414 176.870 -0.232 0.000 1.075 562 L CA 0.107 54.893 54.840 -0.090 0.000 0.839 562 L CB 1.182 43.256 42.059 0.026 0.000 1.219 562 L HN 0.023 nan 8.230 nan 0.000 0.434 563 Q N 2.877 122.472 119.800 -0.342 0.000 2.201 563 Q HA 0.332 4.672 4.340 -0.000 0.000 0.217 563 Q C 0.845 176.440 176.000 -0.675 0.000 0.860 563 Q CA 0.102 55.659 55.803 -0.409 0.000 0.984 563 Q CB 0.977 29.563 28.738 -0.254 0.000 1.095 563 Q HN 0.941 nan 8.270 nan 0.000 0.477 564 G N -0.290 107.752 108.800 -1.264 0.000 2.416 564 G HA2 0.143 4.103 3.960 -0.000 0.000 0.203 564 G HA3 0.143 4.103 3.960 -0.000 0.000 0.203 564 G C -0.338 173.804 174.900 -1.263 0.000 1.227 564 G CA -0.741 43.301 45.100 -1.764 0.000 1.041 564 G HN 0.582 nan 8.290 nan 0.000 0.546 565 G N -2.233 106.049 108.800 -0.864 0.000 2.342 565 G HA2 0.655 4.615 3.960 -0.000 0.000 0.297 565 G HA3 0.655 4.615 3.960 -0.000 0.000 0.297 565 G C -1.872 172.900 174.900 -0.213 0.000 1.313 565 G CA -0.324 44.478 45.100 -0.496 0.000 0.830 565 G HN 1.132 nan 8.290 nan 0.000 0.506 566 F N 0.491 120.666 119.950 0.376 0.000 2.449 566 F HA 0.543 5.069 4.527 -0.000 0.000 0.342 566 F C 0.676 176.752 175.800 0.459 0.000 1.127 566 F CA -0.774 57.471 58.000 0.408 0.000 0.975 566 F CB 2.235 41.373 39.000 0.230 0.000 1.146 566 F HN 0.253 nan 8.300 nan 0.000 0.444 567 V N 3.171 123.379 119.914 0.490 0.000 2.811 567 V HA -0.051 4.069 4.120 -0.000 0.000 0.302 567 V C -0.403 175.839 176.094 0.247 0.000 1.063 567 V CA -0.440 61.959 62.300 0.165 0.000 1.088 567 V CB 1.012 32.906 31.823 0.119 0.000 0.982 567 V HN 0.765 nan 8.190 nan 0.000 0.485 568 W N 6.472 127.830 121.300 0.097 0.000 2.336 568 W HA 0.471 5.131 4.660 -0.000 0.000 0.315 568 W C -0.928 175.585 176.519 -0.010 0.000 1.016 568 W CA -0.627 56.800 57.345 0.136 0.000 1.318 568 W CB 1.380 31.054 29.460 0.357 0.000 1.247 568 W HN 0.901 nan 8.180 nan 0.000 0.414 569 D N 3.054 123.118 120.400 -0.560 0.000 2.752 569 D HA 0.071 4.711 4.640 -0.000 0.000 0.313 569 D C 0.664 176.727 176.300 -0.396 0.000 1.225 569 D CA -0.530 53.021 54.000 -0.749 0.000 0.976 569 D CB 0.306 40.033 40.800 -1.788 0.000 1.443 569 D HN 0.447 nan 8.370 nan 0.000 0.515 570 W N 0.727 121.697 121.300 -0.551 0.000 2.322 570 W HA -0.007 4.653 4.660 -0.000 0.000 0.326 570 W C -0.025 176.243 176.519 -0.418 0.000 1.224 570 W CA 1.516 58.592 57.345 -0.448 0.000 1.257 570 W CB 0.135 29.365 29.460 -0.383 0.000 1.174 570 W HN 0.216 nan 8.180 nan 0.000 0.460 571 V N 0.915 120.624 119.914 -0.343 0.000 2.769 571 V HA 0.273 4.393 4.120 -0.000 0.000 0.312 571 V C -0.499 175.384 176.094 -0.351 0.000 1.061 571 V CA -1.174 60.851 62.300 -0.457 0.000 0.931 571 V CB 1.386 33.060 31.823 -0.248 0.000 1.010 571 V HN -0.072 nan 8.190 nan 0.000 0.433 572 D N 2.051 122.259 120.400 -0.319 0.000 2.443 572 D HA 0.103 4.743 4.640 -0.000 0.000 0.239 572 D C 0.091 176.223 176.300 -0.280 0.000 1.136 572 D CA 0.364 54.225 54.000 -0.233 0.000 0.879 572 D CB 1.121 41.881 40.800 -0.066 0.000 1.195 572 D HN 0.630 nan 8.370 nan 0.000 0.443 573 Q N 0.979 120.560 119.800 -0.365 0.000 3.207 573 Q HA 0.151 4.490 4.340 -0.000 0.000 0.335 573 Q C -0.369 175.626 176.000 -0.009 0.000 1.374 573 Q CA -0.325 55.089 55.803 -0.649 0.000 1.023 573 Q CB 0.190 28.612 28.738 -0.526 0.000 1.576 573 Q HN 0.359 nan 8.270 nan 0.000 0.515 574 S N -0.011 115.792 115.700 0.172 0.000 2.549 574 S HA 0.689 5.159 4.470 -0.000 0.000 0.297 574 S C -0.246 174.549 174.600 0.325 0.000 1.115 574 S CA -0.834 57.574 58.200 0.347 0.000 1.059 574 S CB 1.644 65.008 63.200 0.273 0.000 1.046 574 S HN 0.312 nan 8.310 nan 0.000 0.506 575 L N 1.721 123.055 121.223 0.186 0.000 2.330 575 L HA 0.593 4.933 4.340 -0.000 0.000 0.271 575 L C -0.423 176.366 176.870 -0.136 0.000 1.013 575 L CA -1.098 53.713 54.840 -0.049 0.000 0.816 575 L CB 1.433 43.333 42.059 -0.265 0.000 1.287 575 L HN 0.626 nan 8.230 nan 0.000 0.435 576 I N 1.730 122.159 120.570 -0.236 0.000 2.472 576 I HA 0.253 4.423 4.170 -0.000 0.000 0.290 576 I C 0.056 175.792 176.117 -0.635 0.000 1.016 576 I CA 0.159 61.195 61.300 -0.441 0.000 1.348 576 I CB 0.888 38.648 38.000 -0.400 0.000 1.417 576 I HN 0.518 nan 8.210 nan 0.000 0.521 577 K N 4.307 124.025 120.400 -1.136 0.000 2.466 577 K HA 0.585 4.905 4.320 -0.000 0.000 0.260 577 K C -1.778 174.049 176.600 -1.288 0.000 1.011 577 K CA -0.872 54.699 56.287 -1.195 0.000 0.871 577 K CB 2.315 33.816 32.500 -1.665 0.000 1.404 577 K HN 0.244 nan 8.250 nan 0.000 0.450 578 Y N 0.340 120.433 120.300 -0.345 0.000 2.499 578 Y HA 0.198 4.748 4.550 -0.000 0.000 0.347 578 Y C -0.026 176.016 175.900 0.237 0.000 0.987 578 Y CA -1.229 56.862 58.100 -0.015 0.000 1.044 578 Y CB 1.225 39.677 38.460 -0.014 0.000 1.245 578 Y HN 0.640 nan 8.280 nan 0.000 0.461 579 D N -0.375 120.304 120.400 0.465 0.000 2.432 579 D HA 0.157 4.797 4.640 -0.000 0.000 0.258 579 D C 0.470 176.889 176.300 0.199 0.000 1.146 579 D CA -0.566 53.616 54.000 0.304 0.000 1.015 579 D CB 0.756 41.672 40.800 0.193 0.000 1.107 579 D HN 0.539 nan 8.370 nan 0.000 0.529 580 E N -0.022 120.249 120.200 0.117 0.000 2.130 580 E HA -0.213 4.137 4.350 -0.000 0.000 0.196 580 E C 0.782 177.420 176.600 0.063 0.000 0.998 580 E CA 1.367 57.809 56.400 0.069 0.000 0.806 580 E CB -0.666 29.057 29.700 0.038 0.000 0.738 580 E HN 0.427 nan 8.360 nan 0.000 0.459 581 N N 0.528 119.274 118.700 0.078 0.000 2.434 581 N HA 0.115 4.855 4.740 -0.000 0.000 0.196 581 N C 0.636 176.200 175.510 0.090 0.000 1.183 581 N CA 0.827 53.918 53.050 0.068 0.000 0.849 581 N CB 0.307 38.829 38.487 0.058 0.000 0.992 581 N HN 0.315 nan 8.380 nan 0.000 0.460 582 G N 0.725 109.595 108.800 0.118 0.000 2.273 582 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.280 582 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.280 582 G C -0.469 174.612 174.900 0.303 0.000 1.047 582 G CA -0.261 44.917 45.100 0.131 0.000 0.869 582 G HN 0.307 nan 8.290 nan 0.000 0.502 583 N N 1.024 119.921 118.700 0.329 0.000 2.421 583 N HA 0.489 5.229 4.740 -0.000 0.000 0.285 583 N C -2.464 173.222 175.510 0.294 0.000 1.027 583 N CA -1.484 51.745 53.050 0.298 0.000 0.918 583 N CB 2.117 40.722 38.487 0.195 0.000 1.152 583 N HN 0.129 nan 8.380 nan 0.000 0.485 584 P HA 0.297 nan 4.420 nan 0.000 0.279 584 P C -0.558 176.659 177.300 -0.139 0.000 1.239 584 P CA -0.313 62.506 63.100 -0.468 0.000 0.789 584 P CB 0.629 32.115 31.700 -0.356 0.000 0.933 585 W N -0.161 120.866 121.300 -0.455 0.000 3.213 585 W HA 0.382 5.042 4.660 -0.000 0.000 0.318 585 W C -1.492 174.841 176.519 -0.310 0.000 1.248 585 W CA -1.014 56.103 57.345 -0.381 0.000 1.187 585 W CB 0.264 29.362 29.460 -0.602 0.000 1.403 585 W HN 0.148 nan 8.180 nan 0.000 0.556 586 S N 1.891 117.659 115.700 0.114 0.000 2.481 586 S HA 0.557 5.027 4.470 -0.000 0.000 0.276 586 S C 0.198 174.980 174.600 0.304 0.000 1.247 586 S CA -0.246 58.024 58.200 0.117 0.000 1.053 586 S CB 0.975 64.281 63.200 0.175 0.000 0.925 586 S HN 0.664 nan 8.310 nan 0.000 0.491 587 A N 2.833 125.693 122.820 0.065 0.000 2.337 587 A HA 0.879 5.199 4.320 -0.000 0.000 0.331 587 A C -0.630 177.254 177.584 0.501 0.000 1.137 587 A CA -0.821 51.318 52.037 0.170 0.000 0.807 587 A CB 0.704 19.541 19.000 -0.271 0.000 1.250 587 A HN 0.870 nan 8.150 nan 0.000 0.468 588 Y N -0.765 119.891 120.300 0.594 0.000 2.965 588 Y HA 0.766 5.316 4.550 -0.000 0.000 0.310 588 Y C 0.620 176.899 175.900 0.632 0.000 1.480 588 Y CA -1.363 57.071 58.100 0.557 0.000 1.094 588 Y CB -0.019 38.591 38.460 0.250 0.000 1.377 588 Y HN 0.959 nan 8.280 nan 0.000 0.514 589 G N 0.015 109.214 108.800 0.665 0.000 2.224 589 G HA2 0.355 4.315 3.960 -0.000 0.000 0.239 589 G HA3 0.355 4.315 3.960 -0.000 0.000 0.239 589 G C 1.002 176.243 174.900 0.568 0.000 1.240 589 G CA 0.504 45.930 45.100 0.543 0.000 0.896 589 G HN 2.021 nan 8.290 nan 0.000 0.496 590 G N 2.280 111.384 108.800 0.508 0.000 2.234 590 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.260 590 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.260 590 G C 0.881 175.995 174.900 0.357 0.000 0.987 590 G CA 0.716 46.049 45.100 0.388 0.000 0.625 590 G HN 0.669 nan 8.290 nan 0.000 0.532 591 D N -0.360 120.288 120.400 0.413 0.000 2.392 591 D HA 0.146 4.786 4.640 -0.000 0.000 0.228 591 D C 1.250 177.409 176.300 -0.236 0.000 1.003 591 D CA 0.555 54.627 54.000 0.121 0.000 0.917 591 D CB -0.200 40.634 40.800 0.056 0.000 0.890 591 D HN 0.480 nan 8.370 nan 0.000 0.532 592 F N -1.065 119.000 119.950 0.190 0.000 2.735 592 F HA 0.313 4.840 4.527 -0.000 0.000 0.308 592 F C 1.740 177.622 175.800 0.137 0.000 1.112 592 F CA -0.295 57.781 58.000 0.127 0.000 1.235 592 F CB 0.597 39.666 39.000 0.116 0.000 1.027 592 F HN -0.070 nan 8.300 nan 0.000 0.528 593 G N 0.747 109.707 108.800 0.267 0.000 2.155 593 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.257 593 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.257 593 G C -0.141 174.901 174.900 0.238 0.000 0.983 593 G CA 0.305 45.529 45.100 0.207 0.000 0.676 593 G HN 0.431 nan 8.290 nan 0.000 0.528 594 D N 0.446 121.042 120.400 0.327 0.000 2.425 594 D HA 0.430 5.069 4.640 -0.000 0.000 0.247 594 D C 0.010 176.441 176.300 0.219 0.000 1.147 594 D CA 0.532 54.712 54.000 0.299 0.000 0.879 594 D CB 1.189 42.224 40.800 0.392 0.000 1.179 594 D HN 0.059 nan 8.370 nan 0.000 0.456 595 T N 2.331 116.984 114.554 0.166 0.000 2.952 595 T HA 0.482 4.832 4.350 -0.000 0.000 0.305 595 T C -2.360 172.383 174.700 0.073 0.000 1.064 595 T CA -0.949 61.215 62.100 0.107 0.000 1.008 595 T CB 1.975 70.900 68.868 0.095 0.000 1.078 595 T HN 0.382 nan 8.240 nan 0.000 0.459 596 P HA 0.531 nan 4.420 nan 0.000 0.281 596 P C -1.149 176.140 177.300 -0.018 0.000 1.281 596 P CA -0.725 62.376 63.100 0.001 0.000 0.811 596 P CB 0.788 32.462 31.700 -0.044 0.000 1.154 597 N N -1.166 117.523 118.700 -0.019 0.000 2.610 597 N HA 0.172 4.911 4.740 -0.000 0.000 0.264 597 N C -1.062 174.409 175.510 -0.064 0.000 1.348 597 N CA -0.533 52.492 53.050 -0.042 0.000 0.819 597 N CB 1.532 40.093 38.487 0.124 0.000 1.521 597 N HN 0.201 nan 8.380 nan 0.000 0.497 598 D N 0.010 120.349 120.400 -0.101 0.000 2.462 598 D HA 0.187 4.827 4.640 -0.000 0.000 0.221 598 D C 0.372 176.851 176.300 0.298 0.000 1.173 598 D CA -0.196 53.808 54.000 0.007 0.000 0.831 598 D CB 0.942 41.613 40.800 -0.215 0.000 1.001 598 D HN 0.552 nan 8.370 nan 0.000 0.499 599 R N 0.116 120.826 120.500 0.349 0.000 3.853 599 R HA -0.333 4.007 4.340 -0.000 0.000 0.440 599 R C 1.387 177.719 176.300 0.053 0.000 0.241 599 R CA 1.822 58.126 56.100 0.339 0.000 1.395 599 R CB -1.336 29.095 30.300 0.218 0.000 0.984 599 R HN 0.052 nan 8.270 nan 0.000 0.570 600 Q N 0.270 119.803 119.800 -0.444 0.000 2.291 600 Q HA -0.027 4.313 4.340 -0.000 0.000 0.206 600 Q C 1.716 177.535 176.000 -0.301 0.000 0.976 600 Q CA 1.656 57.071 55.803 -0.646 0.000 0.875 600 Q CB -0.258 28.044 28.738 -0.727 0.000 0.927 600 Q HN 0.423 nan 8.270 nan 0.000 0.450 601 F N 1.091 120.915 119.950 -0.210 0.000 2.214 601 F HA -0.300 4.227 4.527 -0.000 0.000 0.302 601 F C 1.691 177.397 175.800 -0.156 0.000 1.063 601 F CA 1.228 59.186 58.000 -0.069 0.000 1.319 601 F CB -0.232 38.814 39.000 0.078 0.000 1.046 601 F HN 0.357 nan 8.300 nan 0.000 0.505 602 C N -1.349 117.577 119.300 -0.624 0.000 2.576 602 C HA 0.223 4.683 4.460 -0.000 0.000 0.267 602 C C 0.973 175.701 174.990 -0.435 0.000 1.364 602 C CA -0.522 58.025 59.018 -0.785 0.000 1.723 602 C CB -1.935 24.888 27.740 -1.529 0.000 1.778 602 C HN 0.200 nan 8.230 nan 0.000 0.572 603 M N 2.964 122.351 119.600 -0.356 0.000 2.036 603 M HA 0.341 4.820 4.480 -0.000 0.000 0.337 603 M C -0.474 175.658 176.300 -0.281 0.000 1.012 603 M CA 0.244 55.392 55.300 -0.253 0.000 0.962 603 M CB 0.513 33.023 32.600 -0.150 0.000 1.423 603 M HN 0.218 nan 8.290 nan 0.000 0.405 604 N N 1.575 120.092 118.700 -0.305 0.000 2.232 604 N HA 0.163 4.903 4.740 -0.000 0.000 0.240 604 N C 0.211 175.474 175.510 -0.411 0.000 1.307 604 N CA -0.097 52.724 53.050 -0.380 0.000 0.859 604 N CB 1.348 39.651 38.487 -0.307 0.000 1.260 604 N HN 0.712 nan 8.380 nan 0.000 0.501 605 G N -0.011 108.532 108.800 -0.430 0.000 2.504 605 G HA2 0.449 4.409 3.960 -0.000 0.000 0.288 605 G HA3 0.449 4.409 3.960 -0.000 0.000 0.288 605 G C 0.890 175.329 174.900 -0.767 0.000 1.182 605 G CA -0.473 44.286 45.100 -0.569 0.000 0.894 605 G HN 0.108 nan 8.290 nan 0.000 0.521 606 L N -0.242 120.524 121.223 -0.762 0.000 2.418 606 L HA 0.155 4.495 4.340 -0.000 0.000 0.218 606 L C 0.714 176.908 176.870 -1.127 0.000 1.125 606 L CA 0.274 54.656 54.840 -0.763 0.000 0.835 606 L CB -0.086 41.683 42.059 -0.483 0.000 0.953 606 L HN 0.394 nan 8.230 nan 0.000 0.454 607 V N -5.279 113.873 119.914 -1.269 0.000 3.040 607 V HA 0.461 4.581 4.120 -0.000 0.000 0.312 607 V C -0.435 175.170 176.094 -0.815 0.000 1.115 607 V CA -1.242 60.434 62.300 -1.040 0.000 0.998 607 V CB 1.682 32.967 31.823 -0.897 0.000 1.042 607 V HN -0.132 nan 8.190 nan 0.000 0.433 608 F N 1.470 121.268 119.950 -0.254 0.000 2.450 608 F HA 0.544 5.071 4.527 -0.000 0.000 0.339 608 F C 1.956 177.663 175.800 -0.155 0.000 1.146 608 F CA 0.413 58.385 58.000 -0.047 0.000 1.267 608 F CB 1.392 40.396 39.000 0.007 0.000 1.178 608 F HN 0.825 nan 8.300 nan 0.000 0.585 609 A N 1.267 124.166 122.820 0.133 0.000 1.997 609 A HA -0.295 4.025 4.320 -0.000 0.000 0.221 609 A C 1.536 179.085 177.584 -0.059 0.000 1.172 609 A CA 2.184 54.238 52.037 0.028 0.000 0.645 609 A CB -1.112 17.943 19.000 0.091 0.000 0.813 609 A HN 0.862 nan 8.150 nan 0.000 0.454 610 D N -3.094 117.292 120.400 -0.024 0.000 2.336 610 D HA 0.200 4.840 4.640 -0.000 0.000 0.229 610 D C 0.528 176.803 176.300 -0.042 0.000 1.061 610 D CA 0.012 53.973 54.000 -0.065 0.000 0.875 610 D CB -0.069 40.698 40.800 -0.054 0.000 0.904 610 D HN 0.184 nan 8.370 nan 0.000 0.525 611 R N -0.794 119.674 120.500 -0.053 0.000 3.527 611 R HA -0.118 4.222 4.340 -0.000 0.000 0.288 611 R C -0.621 175.655 176.300 -0.039 0.000 1.146 611 R CA 1.024 57.069 56.100 -0.093 0.000 0.778 611 R CB -3.267 27.013 30.300 -0.032 0.000 1.289 611 R HN 0.562 nan 8.270 nan 0.000 0.454 612 T N -2.342 112.251 114.554 0.064 0.000 2.797 612 T HA 0.729 5.079 4.350 -0.000 0.000 0.279 612 T C -2.513 172.334 174.700 0.245 0.000 0.991 612 T CA -2.452 59.738 62.100 0.150 0.000 0.979 612 T CB 2.605 71.548 68.868 0.125 0.000 0.943 612 T HN -0.180 nan 8.240 nan 0.000 0.444 613 P HA 0.144 nan 4.420 nan 0.000 0.268 613 P C -0.143 177.201 177.300 0.073 0.000 1.205 613 P CA -0.080 62.999 63.100 -0.035 0.000 0.771 613 P CB 0.237 31.928 31.700 -0.016 0.000 0.858 614 H N 2.949 121.805 119.070 -0.356 0.000 2.495 614 H HA 0.159 4.715 4.556 -0.000 0.000 0.350 614 H C -1.260 173.958 175.328 -0.184 0.000 1.202 614 H CA -2.085 53.746 56.048 -0.363 0.000 1.322 614 H CB 0.584 30.102 29.762 -0.407 0.000 1.544 614 H HN 0.300 nan 8.280 nan 0.000 0.565 615 P HA -0.120 nan 4.420 nan 0.000 0.219 615 P C 1.244 178.539 177.300 -0.007 0.000 1.150 615 P CA 1.276 64.364 63.100 -0.020 0.000 0.814 615 P CB -0.036 31.648 31.700 -0.026 0.000 0.787 616 A N 0.042 122.859 122.820 -0.006 0.000 1.986 616 A HA -0.216 4.103 4.320 -0.000 0.000 0.220 616 A C 2.119 179.646 177.584 -0.096 0.000 1.171 616 A CA 1.541 53.539 52.037 -0.066 0.000 0.640 616 A CB -1.744 17.196 19.000 -0.101 0.000 0.811 616 A HN 0.168 nan 8.150 nan 0.000 0.451 617 L N -0.040 121.140 121.223 -0.071 0.000 2.137 617 L HA -0.189 4.151 4.340 -0.000 0.000 0.213 617 L C 2.437 179.333 176.870 0.043 0.000 1.085 617 L CA 2.742 57.568 54.840 -0.025 0.000 0.760 617 L CB -0.808 41.233 42.059 -0.031 0.000 0.893 617 L HN 0.433 nan 8.230 nan 0.000 0.434 618 T N -1.521 113.066 114.554 0.054 0.000 2.812 618 T HA -0.162 4.188 4.350 -0.000 0.000 0.264 618 T C 1.697 176.490 174.700 0.155 0.000 1.042 618 T CA 1.202 63.387 62.100 0.142 0.000 1.140 618 T CB -0.158 68.777 68.868 0.113 0.000 0.870 618 T HN 0.335 nan 8.240 nan 0.000 0.445 619 E N 1.709 121.948 120.200 0.065 0.000 2.085 619 E HA -0.101 4.249 4.350 -0.000 0.000 0.194 619 E C 2.229 178.836 176.600 0.011 0.000 0.994 619 E CA 1.405 57.849 56.400 0.074 0.000 0.801 619 E CB -0.535 29.176 29.700 0.017 0.000 0.743 619 E HN 0.447 nan 8.360 nan 0.000 0.453 620 A N 0.907 123.623 122.820 -0.174 0.000 1.877 620 A HA -0.250 4.070 4.320 -0.000 0.000 0.216 620 A C 2.178 179.661 177.584 -0.169 0.000 1.186 620 A CA 2.045 53.931 52.037 -0.251 0.000 0.620 620 A CB -0.699 18.133 19.000 -0.280 0.000 0.822 620 A HN 0.290 nan 8.150 nan 0.000 0.443 621 K N -1.247 119.128 120.400 -0.042 0.000 2.074 621 K HA -0.303 4.017 4.320 -0.000 0.000 0.209 621 K C 2.060 178.573 176.600 -0.146 0.000 1.048 621 K CA 2.124 58.400 56.287 -0.018 0.000 0.926 621 K CB -0.352 32.272 32.500 0.206 0.000 0.713 621 K HN 0.660 nan 8.250 nan 0.000 0.444 622 H N 0.309 119.216 119.070 -0.271 0.000 2.326 622 H HA -0.019 4.537 4.556 -0.000 0.000 0.301 622 H C 1.919 176.973 175.328 -0.456 0.000 1.081 622 H CA 1.816 57.516 56.048 -0.580 0.000 1.334 622 H CB 0.013 29.440 29.762 -0.557 0.000 1.385 622 H HN 0.236 nan 8.280 nan 0.000 0.504 623 Q N 0.235 119.760 119.800 -0.459 0.000 2.291 623 Q HA -0.105 4.235 4.340 -0.000 0.000 0.206 623 Q C 1.655 177.115 176.000 -0.899 0.000 0.976 623 Q CA 1.240 56.682 55.803 -0.601 0.000 0.875 623 Q CB 0.015 28.512 28.738 -0.402 0.000 0.927 623 Q HN 0.731 nan 8.270 nan 0.000 0.450 624 Q N 0.753 120.019 119.800 -0.890 0.000 2.360 624 Q HA 0.027 4.367 4.340 -0.000 0.000 0.202 624 Q C 0.122 175.572 176.000 -0.915 0.000 0.915 624 Q CA -0.243 54.904 55.803 -1.092 0.000 0.943 624 Q CB 0.231 28.354 28.738 -1.025 0.000 1.064 624 Q HN 0.456 nan 8.270 nan 0.000 0.511 625 Q N -0.411 118.993 119.800 -0.660 0.000 2.428 625 Q HA -0.038 4.302 4.340 -0.000 0.000 0.276 625 Q C -0.268 175.332 176.000 -0.667 0.000 1.059 625 Q CA 0.322 55.843 55.803 -0.470 0.000 0.923 625 Q CB 0.322 28.933 28.738 -0.212 0.000 1.283 625 Q HN 0.167 nan 8.270 nan 0.000 0.447 626 F N -0.072 119.623 119.950 -0.425 0.000 2.797 626 F HA 0.260 4.787 4.527 -0.000 0.000 0.302 626 F C -0.105 175.123 175.800 -0.953 0.000 1.130 626 F CA 0.002 57.516 58.000 -0.810 0.000 1.387 626 F CB 0.387 38.569 39.000 -1.362 0.000 1.107 626 F HN 0.352 nan 8.300 nan 0.000 0.577 627 F N 0.210 120.068 119.950 -0.153 0.000 2.495 627 F HA 0.488 5.015 4.527 -0.000 0.000 0.327 627 F C -0.087 175.374 175.800 -0.566 0.000 1.103 627 F CA -1.038 56.777 58.000 -0.308 0.000 0.949 627 F CB 1.276 40.110 39.000 -0.276 0.000 1.142 627 F HN -0.320 nan 8.300 nan 0.000 0.457 628 Q N 3.134 122.662 119.800 -0.453 0.000 2.365 628 Q HA 0.525 4.865 4.340 -0.000 0.000 0.269 628 Q C -1.432 174.223 176.000 -0.576 0.000 1.061 628 Q CA -0.662 54.875 55.803 -0.443 0.000 0.816 628 Q CB 3.046 31.674 28.738 -0.182 0.000 1.325 628 Q HN 0.539 nan 8.270 nan 0.000 0.446 629 F N 0.346 120.415 119.950 0.197 0.000 2.522 629 F HA 0.601 5.128 4.527 -0.000 0.000 0.324 629 F C 0.496 176.521 175.800 0.374 0.000 1.077 629 F CA -0.852 57.338 58.000 0.316 0.000 0.944 629 F CB 1.987 41.285 39.000 0.497 0.000 1.175 629 F HN 0.101 nan 8.300 nan 0.000 0.468 630 R N 1.842 122.656 120.500 0.523 0.000 2.628 630 R HA 0.622 4.962 4.340 -0.000 0.000 0.288 630 R C -1.985 174.398 176.300 0.139 0.000 0.980 630 R CA -1.161 55.145 56.100 0.344 0.000 0.891 630 R CB 2.651 33.058 30.300 0.179 0.000 1.188 630 R HN 0.610 nan 8.270 nan 0.000 0.450 631 L N 1.504 122.700 121.223 -0.044 0.000 2.313 631 L HA 0.476 4.815 4.340 -0.000 0.000 0.283 631 L C -0.979 175.742 176.870 -0.249 0.000 1.013 631 L CA 0.151 54.730 54.840 -0.435 0.000 0.816 631 L CB 1.951 43.280 42.059 -1.216 0.000 1.236 631 L HN 0.468 nan 8.230 nan 0.000 0.419 632 S N 3.903 119.480 115.700 -0.205 0.000 2.774 632 S HA 0.696 5.166 4.470 -0.000 0.000 0.297 632 S C 0.375 174.890 174.600 -0.141 0.000 1.143 632 S CA 0.225 58.344 58.200 -0.135 0.000 1.090 632 S CB 0.222 63.378 63.200 -0.073 0.000 1.019 632 S HN 1.475 nan 8.310 nan 0.000 0.482 633 G N 4.248 112.962 108.800 -0.142 0.000 2.574 633 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.301 633 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.301 633 G C 0.381 175.181 174.900 -0.168 0.000 1.166 633 G CA 0.588 45.610 45.100 -0.130 0.000 0.971 633 G HN 0.645 nan 8.290 nan 0.000 0.542 634 Q N 1.241 120.950 119.800 -0.152 0.000 2.198 634 Q HA 0.239 4.579 4.340 -0.000 0.000 0.209 634 Q C -0.067 175.814 176.000 -0.197 0.000 0.848 634 Q CA 0.608 56.301 55.803 -0.182 0.000 0.974 634 Q CB 0.709 29.357 28.738 -0.149 0.000 1.115 634 Q HN 0.548 nan 8.270 nan 0.000 0.494 635 T N 0.747 115.195 114.554 -0.177 0.000 2.797 635 T HA 0.522 4.872 4.350 -0.000 0.000 0.279 635 T C 0.022 174.623 174.700 -0.165 0.000 0.991 635 T CA -0.400 61.611 62.100 -0.147 0.000 0.979 635 T CB 1.573 70.386 68.868 -0.092 0.000 0.943 635 T HN 0.034 nan 8.240 nan 0.000 0.444 636 I N 2.401 122.895 120.570 -0.125 0.000 2.359 636 I HA 0.350 4.520 4.170 -0.000 0.000 0.294 636 I C 0.445 176.594 176.117 0.053 0.000 0.987 636 I CA -0.716 60.547 61.300 -0.062 0.000 1.225 636 I CB 1.542 39.533 38.000 -0.015 0.000 1.366 636 I HN 0.632 nan 8.210 nan 0.000 0.466 637 E N 6.383 126.645 120.200 0.103 0.000 2.134 637 E HA 0.476 4.826 4.350 -0.000 0.000 0.278 637 E C -1.554 175.157 176.600 0.185 0.000 0.959 637 E CA -0.578 55.892 56.400 0.117 0.000 0.783 637 E CB 1.616 31.364 29.700 0.079 0.000 1.095 637 E HN 0.367 nan 8.360 nan 0.000 0.399 638 V N 3.802 123.802 119.914 0.144 0.000 2.513 638 V HA 0.411 4.531 4.120 -0.000 0.000 0.299 638 V C -0.115 176.004 176.094 0.041 0.000 1.035 638 V CA -0.621 61.733 62.300 0.090 0.000 0.889 638 V CB 1.928 33.832 31.823 0.135 0.000 0.988 638 V HN 0.741 nan 8.190 nan 0.000 0.440 639 T N 2.677 117.211 114.554 -0.033 0.000 2.848 639 T HA 0.374 4.724 4.350 -0.000 0.000 0.285 639 T C -0.314 174.378 174.700 -0.013 0.000 0.995 639 T CA -0.349 61.742 62.100 -0.015 0.000 0.970 639 T CB 1.647 70.486 68.868 -0.047 0.000 0.976 639 T HN 0.677 nan 8.240 nan 0.000 0.441 640 S N 1.591 117.291 115.700 0.000 0.000 2.480 640 S HA 0.262 4.731 4.470 -0.000 0.000 0.286 640 S C 0.617 175.107 174.600 -0.184 0.000 1.180 640 S CA -0.587 57.558 58.200 -0.092 0.000 1.075 640 S CB 0.581 63.802 63.200 0.035 0.000 0.996 640 S HN 0.708 nan 8.310 nan 0.000 0.487 641 E N 3.212 123.203 120.200 -0.349 0.000 2.451 641 E HA 0.100 4.450 4.350 -0.000 0.000 0.194 641 E C -0.905 175.531 176.600 -0.273 0.000 1.027 641 E CA -0.075 56.153 56.400 -0.287 0.000 0.914 641 E CB 0.354 29.859 29.700 -0.324 0.000 1.054 641 E HN 0.673 nan 8.360 nan 0.000 0.461 642 Y N 0.448 120.650 120.300 -0.163 0.000 2.319 642 Y HA 0.093 4.642 4.550 -0.000 0.000 0.328 642 Y C 1.396 177.143 175.900 -0.254 0.000 1.133 642 Y CA -0.254 57.729 58.100 -0.196 0.000 1.265 642 Y CB 0.978 39.302 38.460 -0.227 0.000 1.218 642 Y HN -0.023 nan 8.280 nan 0.000 0.508 643 L N 1.703 122.783 121.223 -0.238 0.000 2.298 643 L HA 0.019 4.359 4.340 -0.000 0.000 0.209 643 L C 0.669 177.087 176.870 -0.753 0.000 1.084 643 L CA 0.932 55.361 54.840 -0.684 0.000 0.816 643 L CB 0.005 41.209 42.059 -1.425 0.000 0.967 643 L HN 0.679 nan 8.230 nan 0.000 0.460 644 F N -0.606 119.364 119.950 0.033 0.000 2.747 644 F HA 0.197 4.724 4.527 -0.000 0.000 0.305 644 F C 1.265 177.045 175.800 -0.034 0.000 1.065 644 F CA -0.793 57.196 58.000 -0.018 0.000 1.230 644 F CB 0.362 39.328 39.000 -0.057 0.000 1.027 644 F HN -0.110 nan 8.300 nan 0.000 0.607 645 R N -0.219 120.314 120.500 0.055 0.000 2.674 645 R HA 0.521 4.861 4.340 -0.000 0.000 0.266 645 R C -1.113 175.173 176.300 -0.024 0.000 1.016 645 R CA -0.726 55.345 56.100 -0.048 0.000 1.062 645 R CB 0.773 30.941 30.300 -0.220 0.000 1.142 645 R HN 0.045 nan 8.270 nan 0.000 0.517 646 H N -0.158 118.879 119.070 -0.055 0.000 2.483 646 H HA 0.171 4.727 4.556 -0.000 0.000 0.338 646 H C -0.167 175.169 175.328 0.013 0.000 1.152 646 H CA -0.321 55.733 56.048 0.009 0.000 1.264 646 H CB 1.413 31.189 29.762 0.024 0.000 1.510 646 H HN 0.748 nan 8.280 nan 0.000 0.530 647 S N 2.170 117.736 115.700 -0.223 0.000 4.053 647 S HA -0.052 4.418 4.470 -0.000 0.000 0.184 647 S C 0.204 174.919 174.600 0.192 0.000 1.324 647 S CA -0.104 58.146 58.200 0.084 0.000 0.956 647 S CB -0.866 62.387 63.200 0.087 0.000 1.503 647 S HN 0.732 nan 8.310 nan 0.000 0.440 648 D N 0.557 121.075 120.400 0.197 0.000 2.328 648 D HA 0.012 4.651 4.640 -0.000 0.000 0.226 648 D C 0.433 176.792 176.300 0.099 0.000 1.066 648 D CA -0.119 53.982 54.000 0.167 0.000 0.861 648 D CB -0.252 40.627 40.800 0.132 0.000 0.912 648 D HN 0.490 nan 8.370 nan 0.000 0.521 649 N N 0.007 118.765 118.700 0.098 0.000 2.622 649 N HA 0.125 4.865 4.740 -0.000 0.000 0.293 649 N C -1.580 173.986 175.510 0.094 0.000 1.788 649 N CA -0.246 52.851 53.050 0.079 0.000 0.860 649 N CB 0.275 38.796 38.487 0.057 0.000 1.388 649 N HN -0.068 nan 8.380 nan 0.000 0.496 650 E N 0.089 120.341 120.200 0.086 0.000 2.246 650 E HA 0.447 4.797 4.350 -0.000 0.000 0.266 650 E C -1.575 175.054 176.600 0.048 0.000 0.880 650 E CA -0.597 55.837 56.400 0.057 0.000 0.762 650 E CB 1.955 31.657 29.700 0.003 0.000 1.180 650 E HN 0.076 nan 8.360 nan 0.000 0.416 651 L N 3.429 124.681 121.223 0.049 0.000 2.341 651 L HA 0.541 4.881 4.340 -0.000 0.000 0.278 651 L C -1.511 175.422 176.870 0.106 0.000 1.005 651 L CA -0.922 53.973 54.840 0.092 0.000 0.818 651 L CB 1.543 43.672 42.059 0.116 0.000 1.259 651 L HN 0.595 nan 8.230 nan 0.000 0.418 652 L N 5.126 126.456 121.223 0.178 0.000 2.262 652 L HA 0.446 4.786 4.340 -0.000 0.000 0.288 652 L C -0.666 176.420 176.870 0.360 0.000 1.035 652 L CA 0.076 55.051 54.840 0.224 0.000 0.820 652 L CB 0.382 42.569 42.059 0.212 0.000 1.204 652 L HN 0.569 nan 8.230 nan 0.000 0.424 653 H N 5.752 124.882 119.070 0.100 0.000 2.467 653 H HA 0.381 4.937 4.556 -0.000 0.000 0.326 653 H C -1.097 174.305 175.328 0.124 0.000 1.094 653 H CA -0.704 55.364 56.048 0.033 0.000 1.253 653 H CB 0.966 30.713 29.762 -0.025 0.000 1.439 653 H HN 0.706 nan 8.280 nan 0.000 0.479 654 W N 3.434 124.802 121.300 0.113 0.000 2.929 654 W HA 0.588 5.248 4.660 -0.000 0.000 0.345 654 W C -1.406 175.151 176.519 0.064 0.000 1.151 654 W CA -1.438 55.963 57.345 0.094 0.000 1.111 654 W CB 1.577 31.083 29.460 0.078 0.000 1.449 654 W HN 0.605 nan 8.180 nan 0.000 0.572 655 M N 1.193 121.148 119.600 0.591 0.000 2.569 655 M HA 0.529 5.009 4.480 -0.000 0.000 0.287 655 M C -2.642 173.904 176.300 0.410 0.000 1.130 655 M CA -0.520 54.989 55.300 0.348 0.000 0.885 655 M CB 1.770 34.376 32.600 0.009 0.000 1.759 655 M HN 0.134 nan 8.290 nan 0.000 0.515 656 V N 2.487 122.619 119.914 0.362 0.000 2.495 656 V HA 1.039 5.159 4.120 -0.000 0.000 0.298 656 V C -0.189 176.020 176.094 0.193 0.000 1.031 656 V CA 0.020 62.495 62.300 0.291 0.000 0.871 656 V CB 1.174 33.172 31.823 0.293 0.000 0.988 656 V HN 1.135 nan 8.190 nan 0.000 0.432 657 A N 4.168 127.114 122.820 0.209 0.000 2.539 657 A HA 0.899 5.219 4.320 -0.000 0.000 0.296 657 A C -1.648 176.068 177.584 0.221 0.000 1.073 657 A CA -0.614 51.518 52.037 0.158 0.000 0.700 657 A CB 1.831 20.878 19.000 0.078 0.000 1.296 657 A HN 0.842 nan 8.150 nan 0.000 0.405 658 L N 1.251 122.569 121.223 0.159 0.000 2.294 658 L HA 0.581 4.921 4.340 -0.000 0.000 0.283 658 L C -0.460 176.516 176.870 0.177 0.000 1.015 658 L CA 0.284 55.233 54.840 0.181 0.000 0.831 658 L CB 0.505 42.633 42.059 0.115 0.000 1.217 658 L HN 0.770 nan 8.230 nan 0.000 0.420 659 D N 4.660 125.235 120.400 0.293 0.000 2.733 659 D HA -0.211 4.429 4.640 -0.000 0.000 0.232 659 D C 1.171 177.503 176.300 0.053 0.000 1.161 659 D CA 1.657 55.808 54.000 0.252 0.000 0.653 659 D CB -0.992 39.923 40.800 0.191 0.000 1.052 659 D HN 1.179 nan 8.370 nan 0.000 0.424 660 G N -1.380 107.413 108.800 -0.011 0.000 2.254 660 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.225 660 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.225 660 G C 0.201 175.031 174.900 -0.117 0.000 1.003 660 G CA 0.239 45.230 45.100 -0.182 0.000 0.622 660 G HN 0.429 nan 8.290 nan 0.000 0.507 661 K N 2.436 122.816 120.400 -0.034 0.000 2.285 661 K HA 0.542 4.862 4.320 -0.000 0.000 0.286 661 K C -2.555 174.046 176.600 0.001 0.000 1.072 661 K CA -1.888 54.383 56.287 -0.026 0.000 0.913 661 K CB 1.562 34.059 32.500 -0.005 0.000 1.067 661 K HN 0.131 nan 8.250 nan 0.000 0.479 662 P HA 0.078 nan 4.420 nan 0.000 0.276 662 P C -0.218 177.087 177.300 0.010 0.000 1.243 662 P CA -0.074 63.020 63.100 -0.010 0.000 0.768 662 P CB 0.760 32.429 31.700 -0.051 0.000 0.856 663 L N 1.444 122.693 121.223 0.045 0.000 2.642 663 L HA 0.524 4.864 4.340 -0.000 0.000 0.233 663 L C 0.863 177.770 176.870 0.062 0.000 1.077 663 L CA 0.210 55.082 54.840 0.053 0.000 0.879 663 L CB 0.212 42.319 42.059 0.080 0.000 1.151 663 L HN 0.368 nan 8.230 nan 0.000 0.495 664 A N 0.163 123.032 122.820 0.081 0.000 2.594 664 A HA 0.619 4.939 4.320 -0.000 0.000 0.296 664 A C -0.802 176.734 177.584 -0.079 0.000 1.056 664 A CA -0.120 51.966 52.037 0.081 0.000 0.693 664 A CB 1.556 20.727 19.000 0.286 0.000 1.278 664 A HN 0.051 nan 8.150 nan 0.000 0.408 665 S N 0.263 115.683 115.700 -0.466 0.000 2.588 665 S HA 0.968 5.438 4.470 -0.000 0.000 0.275 665 S C -0.160 173.466 174.600 -1.623 0.000 1.130 665 S CA -0.014 57.547 58.200 -1.064 0.000 0.855 665 S CB 1.612 64.481 63.200 -0.552 0.000 1.116 665 S HN 2.460 nan 8.310 nan 0.000 0.472 666 G N -0.158 107.249 108.800 -2.323 0.000 2.687 666 G HA2 0.671 4.631 3.960 -0.000 0.000 0.291 666 G HA3 0.671 4.631 3.960 -0.000 0.000 0.291 666 G C -2.019 172.347 174.900 -0.889 0.000 1.420 666 G CA -0.705 43.524 45.100 -1.452 0.000 0.796 666 G HN 0.813 nan 8.290 nan 0.000 0.485 667 E N -1.163 118.888 120.200 -0.248 0.000 2.304 667 E HA 0.571 4.920 4.350 -0.000 0.000 0.277 667 E C -1.631 175.040 176.600 0.119 0.000 0.898 667 E CA -0.506 55.836 56.400 -0.096 0.000 0.764 667 E CB 2.903 32.482 29.700 -0.201 0.000 1.216 667 E HN 0.355 nan 8.360 nan 0.000 0.419 668 V N 4.767 124.797 119.914 0.194 0.000 2.777 668 V HA 0.463 4.583 4.120 -0.000 0.000 0.306 668 V C -2.487 173.699 176.094 0.153 0.000 1.112 668 V CA -1.682 60.723 62.300 0.174 0.000 0.917 668 V CB 2.170 34.111 31.823 0.198 0.000 1.018 668 V HN 0.576 nan 8.190 nan 0.000 0.426 669 P HA 0.337 nan 4.420 nan 0.000 0.280 669 P C -0.837 176.521 177.300 0.097 0.000 1.244 669 P CA -0.187 62.975 63.100 0.103 0.000 0.784 669 P CB 1.046 32.800 31.700 0.091 0.000 0.913 670 L N 2.831 124.100 121.223 0.077 0.000 2.350 670 L HA 0.353 4.693 4.340 -0.000 0.000 0.275 670 L C 0.475 177.405 176.870 0.099 0.000 1.099 670 L CA 0.199 55.074 54.840 0.059 0.000 0.808 670 L CB 0.625 42.667 42.059 -0.029 0.000 1.149 670 L HN 0.361 nan 8.230 nan 0.000 0.442 671 D N 2.302 122.767 120.400 0.108 0.000 2.586 671 D HA 0.383 5.022 4.640 -0.000 0.000 0.254 671 D C -1.337 175.006 176.300 0.072 0.000 1.248 671 D CA -0.119 54.005 54.000 0.205 0.000 0.843 671 D CB 0.943 41.880 40.800 0.228 0.000 1.332 671 D HN 0.100 nan 8.370 nan 0.000 0.523 672 V N 0.522 120.304 119.914 -0.221 0.000 2.656 672 V HA 0.930 5.050 4.120 -0.000 0.000 0.307 672 V C 0.589 176.379 176.094 -0.507 0.000 1.051 672 V CA -1.337 60.850 62.300 -0.188 0.000 0.893 672 V CB 1.457 33.296 31.823 0.027 0.000 0.999 672 V HN 0.455 nan 8.190 nan 0.000 0.426 673 A N 4.974 127.698 122.820 -0.160 0.000 2.322 673 A HA 0.812 5.132 4.320 -0.000 0.000 0.269 673 A C -2.402 175.178 177.584 -0.008 0.000 1.094 673 A CA -1.722 50.296 52.037 -0.031 0.000 0.807 673 A CB -0.040 19.032 19.000 0.120 0.000 1.047 673 A HN 0.724 nan 8.150 nan 0.000 0.487 674 P HA -0.033 nan 4.420 nan 0.000 0.261 674 P C -0.429 176.864 177.300 -0.012 0.000 1.173 674 P CA 0.732 63.844 63.100 0.020 0.000 0.760 674 P CB 0.211 31.909 31.700 -0.004 0.000 0.783 675 Q N -1.224 118.555 119.800 -0.035 0.000 2.406 675 Q HA -0.185 4.155 4.340 -0.000 0.000 0.236 675 Q C 0.695 176.684 176.000 -0.018 0.000 0.799 675 Q CA 1.490 57.265 55.803 -0.047 0.000 1.286 675 Q CB -2.472 26.230 28.738 -0.060 0.000 1.615 675 Q HN 0.758 nan 8.270 nan 0.000 0.621 676 G N 0.230 109.031 108.800 0.003 0.000 2.552 676 G HA2 0.594 4.554 3.960 -0.000 0.000 0.318 676 G HA3 0.594 4.554 3.960 -0.000 0.000 0.318 676 G C -0.514 174.403 174.900 0.028 0.000 1.240 676 G CA -0.688 44.423 45.100 0.019 0.000 1.002 676 G HN -0.027 nan 8.290 nan 0.000 0.493 677 K N -0.408 120.013 120.400 0.035 0.000 2.267 677 K HA 0.468 4.788 4.320 -0.000 0.000 0.246 677 K C -0.868 175.766 176.600 0.056 0.000 0.954 677 K CA -0.570 55.743 56.287 0.044 0.000 0.824 677 K CB 2.372 34.892 32.500 0.034 0.000 1.167 677 K HN 0.556 nan 8.250 nan 0.000 0.431 678 Q N 3.169 123.009 119.800 0.068 0.000 2.305 678 Q HA 0.354 4.694 4.340 -0.000 0.000 0.271 678 Q C -1.597 174.447 176.000 0.073 0.000 1.046 678 Q CA -0.638 55.208 55.803 0.073 0.000 0.798 678 Q CB 1.353 30.140 28.738 0.082 0.000 1.286 678 Q HN 0.532 nan 8.270 nan 0.000 0.435 679 L N 5.056 126.313 121.223 0.056 0.000 2.289 679 L HA 0.557 4.897 4.340 -0.000 0.000 0.285 679 L C -0.337 176.554 176.870 0.036 0.000 1.049 679 L CA -0.762 54.103 54.840 0.041 0.000 0.804 679 L CB 1.187 43.259 42.059 0.022 0.000 1.195 679 L HN 0.627 nan 8.230 nan 0.000 0.428 680 I N 2.810 123.393 120.570 0.022 0.000 2.439 680 I HA 0.249 4.419 4.170 -0.000 0.000 0.285 680 I C -0.253 175.831 176.117 -0.056 0.000 1.021 680 I CA -0.700 60.601 61.300 0.002 0.000 1.091 680 I CB 2.105 40.122 38.000 0.027 0.000 1.242 680 I HN 0.491 nan 8.210 nan 0.000 0.439 681 E N 6.509 126.678 120.200 -0.051 0.000 2.223 681 E HA 0.411 4.761 4.350 -0.000 0.000 0.282 681 E C -0.664 175.859 176.600 -0.128 0.000 1.046 681 E CA -0.315 56.038 56.400 -0.078 0.000 0.857 681 E CB 1.428 31.102 29.700 -0.043 0.000 1.055 681 E HN 0.475 nan 8.360 nan 0.000 0.409 682 L N 6.003 127.115 121.223 -0.184 0.000 2.325 682 L HA 0.362 4.702 4.340 -0.000 0.000 0.279 682 L C -1.918 174.844 176.870 -0.180 0.000 1.054 682 L CA -1.946 52.731 54.840 -0.271 0.000 0.804 682 L CB 1.335 43.151 42.059 -0.405 0.000 1.200 682 L HN 0.239 nan 8.230 nan 0.000 0.436 683 P HA 0.030 nan 4.420 nan 0.000 0.272 683 P C -0.478 176.773 177.300 -0.083 0.000 1.223 683 P CA -0.434 62.624 63.100 -0.071 0.000 0.784 683 P CB 0.509 32.214 31.700 0.008 0.000 0.923 684 E N 1.431 121.605 120.200 -0.043 0.000 2.652 684 E HA -0.044 4.306 4.350 -0.000 0.000 0.255 684 E C -0.158 176.426 176.600 -0.027 0.000 0.952 684 E CA 0.621 56.998 56.400 -0.038 0.000 0.947 684 E CB 0.110 29.800 29.700 -0.017 0.000 0.912 684 E HN 0.342 nan 8.360 nan 0.000 0.489 685 L N 6.297 127.493 121.223 -0.044 0.000 2.357 685 L HA 0.314 4.654 4.340 -0.000 0.000 0.273 685 L C -1.909 174.962 176.870 0.002 0.000 1.080 685 L CA -2.136 52.690 54.840 -0.023 0.000 0.803 685 L CB 0.682 42.708 42.059 -0.055 0.000 1.174 685 L HN 0.323 nan 8.230 nan 0.000 0.443 686 P HA 0.044 nan 4.420 nan 0.000 0.268 686 P C -0.887 176.426 177.300 0.022 0.000 1.204 686 P CA -0.218 62.902 63.100 0.034 0.000 0.768 686 P CB 0.611 32.345 31.700 0.057 0.000 0.842 687 Q N 2.490 122.300 119.800 0.016 0.000 2.647 687 Q HA 0.247 4.587 4.340 -0.000 0.000 0.400 687 Q C -2.033 173.976 176.000 0.015 0.000 0.959 687 Q CA -1.708 54.101 55.803 0.010 0.000 1.079 687 Q CB -0.440 28.299 28.738 0.002 0.000 1.351 687 Q HN 0.401 nan 8.270 nan 0.000 0.411 688 P HA -0.158 nan 4.420 nan 0.000 0.268 688 P C 0.102 177.415 177.300 0.022 0.000 1.171 688 P CA 0.413 63.529 63.100 0.027 0.000 0.761 688 P CB 1.163 32.885 31.700 0.037 0.000 0.786 689 E N 0.539 120.752 120.200 0.022 0.000 2.127 689 E HA 0.007 4.357 4.350 -0.000 0.000 0.191 689 E C 0.612 177.226 176.600 0.023 0.000 0.964 689 E CA 0.480 56.892 56.400 0.019 0.000 0.832 689 E CB -0.444 29.267 29.700 0.017 0.000 0.790 689 E HN 0.562 nan 8.360 nan 0.000 0.465 690 S N 1.286 117.003 115.700 0.028 0.000 2.537 690 S HA 0.156 4.626 4.470 -0.000 0.000 0.280 690 S C 0.404 175.027 174.600 0.039 0.000 1.335 690 S CA 0.162 58.382 58.200 0.034 0.000 1.025 690 S CB 0.518 63.740 63.200 0.037 0.000 0.836 690 S HN 0.292 nan 8.310 nan 0.000 0.523 691 A N 0.999 123.845 122.820 0.044 0.000 2.302 691 A HA 0.818 5.138 4.320 -0.000 0.000 0.285 691 A C 0.810 178.433 177.584 0.065 0.000 1.105 691 A CA 0.176 52.243 52.037 0.049 0.000 0.816 691 A CB 0.224 19.253 19.000 0.049 0.000 1.067 691 A HN 1.773 nan 8.150 nan 0.000 0.489 692 G N -0.038 108.803 108.800 0.068 0.000 2.357 692 G HA2 0.324 4.284 3.960 -0.000 0.000 0.289 692 G HA3 0.324 4.284 3.960 -0.000 0.000 0.289 692 G C -1.381 173.569 174.900 0.083 0.000 1.302 692 G CA -0.880 44.279 45.100 0.098 0.000 0.936 692 G HN 0.839 nan 8.290 nan 0.000 0.513 693 Q N -0.574 119.311 119.800 0.142 0.000 2.293 693 Q HA 0.615 4.955 4.340 -0.000 0.000 0.261 693 Q C -0.920 175.179 176.000 0.165 0.000 0.960 693 Q CA -0.762 55.091 55.803 0.083 0.000 0.882 693 Q CB 2.403 31.242 28.738 0.168 0.000 1.275 693 Q HN 0.463 nan 8.270 nan 0.000 0.445 694 L N 3.627 124.823 121.223 -0.046 0.000 2.272 694 L HA 0.484 4.824 4.340 -0.000 0.000 0.289 694 L C -1.791 175.029 176.870 -0.084 0.000 1.032 694 L CA 0.015 54.877 54.840 0.035 0.000 0.810 694 L CB 0.450 42.505 42.059 -0.006 0.000 1.205 694 L HN 0.567 nan 8.230 nan 0.000 0.422 695 W N 5.426 126.796 121.300 0.117 0.000 2.819 695 W HA 0.567 5.227 4.660 -0.000 0.000 0.337 695 W C -1.054 175.576 176.519 0.185 0.000 1.077 695 W CA -0.703 56.735 57.345 0.155 0.000 1.226 695 W CB 1.702 31.281 29.460 0.199 0.000 1.419 695 W HN 0.279 nan 8.180 nan 0.000 0.502 696 L N 3.046 124.569 121.223 0.501 0.000 2.295 696 L HA 0.818 5.158 4.340 -0.000 0.000 0.285 696 L C -0.366 176.819 176.870 0.525 0.000 1.035 696 L CA 0.144 55.253 54.840 0.449 0.000 0.806 696 L CB 1.315 43.578 42.059 0.339 0.000 1.214 696 L HN 0.372 nan 8.230 nan 0.000 0.426 697 T N 4.791 119.596 114.554 0.419 0.000 2.886 697 T HA 0.662 5.012 4.350 -0.000 0.000 0.292 697 T C -0.878 174.008 174.700 0.311 0.000 1.012 697 T CA -0.479 61.818 62.100 0.328 0.000 0.982 697 T CB 1.641 70.635 68.868 0.210 0.000 1.018 697 T HN 0.619 nan 8.240 nan 0.000 0.451 698 V N 1.259 121.309 119.914 0.227 0.000 2.680 698 V HA 0.864 4.984 4.120 -0.000 0.000 0.309 698 V C -0.771 175.388 176.094 0.109 0.000 1.052 698 V CA -1.118 61.278 62.300 0.160 0.000 0.908 698 V CB 1.902 33.743 31.823 0.030 0.000 1.001 698 V HN 0.841 nan 8.190 nan 0.000 0.431 699 R N 2.201 122.787 120.500 0.144 0.000 2.771 699 R HA 0.835 5.175 4.340 -0.000 0.000 0.274 699 R C -1.716 174.662 176.300 0.131 0.000 0.987 699 R CA -0.835 55.360 56.100 0.158 0.000 0.908 699 R CB 2.759 33.103 30.300 0.074 0.000 1.213 699 R HN 0.657 nan 8.270 nan 0.000 0.468 700 V N 2.873 122.889 119.914 0.169 0.000 2.384 700 V HA 0.432 4.552 4.120 -0.000 0.000 0.287 700 V C -0.455 175.673 176.094 0.056 0.000 1.020 700 V CA -0.658 61.711 62.300 0.115 0.000 0.850 700 V CB 1.735 33.643 31.823 0.141 0.000 0.987 700 V HN 0.442 nan 8.190 nan 0.000 0.436 701 V N 4.471 124.367 119.914 -0.029 0.000 2.680 701 V HA 0.479 4.598 4.120 -0.000 0.000 0.309 701 V C -0.399 175.708 176.094 0.022 0.000 1.052 701 V CA -0.848 61.421 62.300 -0.053 0.000 0.908 701 V CB 1.988 33.678 31.823 -0.222 0.000 1.001 701 V HN 0.867 nan 8.190 nan 0.000 0.431 702 Q N 4.130 123.969 119.800 0.066 0.000 2.465 702 Q HA 0.277 4.617 4.340 -0.000 0.000 0.237 702 Q C -1.837 174.184 176.000 0.035 0.000 1.051 702 Q CA -1.810 54.041 55.803 0.079 0.000 0.874 702 Q CB 1.899 30.711 28.738 0.125 0.000 1.207 702 Q HN 0.493 nan 8.270 nan 0.000 0.508 703 P HA -0.211 nan 4.420 nan 0.000 0.214 703 P C -0.514 176.789 177.300 0.005 0.000 1.163 703 P CA 1.394 64.507 63.100 0.022 0.000 0.889 703 P CB 0.285 32.006 31.700 0.035 0.000 0.790 704 N N -0.854 117.843 118.700 -0.005 0.000 2.492 704 N HA 0.442 5.182 4.740 -0.000 0.000 0.289 704 N C -0.273 175.194 175.510 -0.072 0.000 1.133 704 N CA -0.646 52.388 53.050 -0.028 0.000 0.961 704 N CB 0.679 39.153 38.487 -0.022 0.000 1.186 704 N HN 0.015 nan 8.380 nan 0.000 0.493 705 A N 0.414 123.181 122.820 -0.088 0.000 2.346 705 A HA 0.547 4.867 4.320 -0.000 0.000 0.252 705 A C 0.554 178.010 177.584 -0.213 0.000 1.089 705 A CA -0.141 51.802 52.037 -0.157 0.000 0.797 705 A CB 0.007 18.933 19.000 -0.123 0.000 1.047 705 A HN 0.735 nan 8.150 nan 0.000 0.494 706 T N -3.528 110.801 114.554 -0.375 0.000 2.773 706 T HA 0.619 4.969 4.350 -0.000 0.000 0.278 706 T C 0.897 175.383 174.700 -0.356 0.000 1.011 706 T CA 0.056 61.899 62.100 -0.427 0.000 1.014 706 T CB 1.117 69.447 68.868 -0.897 0.000 1.293 706 T HN 1.365 nan 8.240 nan 0.000 0.554 707 A N -0.166 122.538 122.820 -0.195 0.000 2.121 707 A HA 0.137 4.457 4.320 -0.000 0.000 0.218 707 A C 1.484 179.166 177.584 0.163 0.000 1.154 707 A CA 0.888 52.963 52.037 0.062 0.000 0.679 707 A CB -0.827 18.316 19.000 0.239 0.000 0.795 707 A HN 0.905 nan 8.150 nan 0.000 0.458 708 W N -0.974 120.373 121.300 0.077 0.000 2.518 708 W HA 0.430 5.090 4.660 -0.000 0.000 0.352 708 W C -0.186 176.292 176.519 -0.068 0.000 0.952 708 W CA 0.404 57.756 57.345 0.012 0.000 1.624 708 W CB -1.171 28.282 29.460 -0.011 0.000 1.135 708 W HN 0.404 nan 8.180 nan 0.000 0.540 709 S N 0.230 115.434 115.700 -0.826 0.000 2.556 709 S HA 0.449 4.919 4.470 -0.000 0.000 0.271 709 S C -0.560 173.773 174.600 -0.445 0.000 1.135 709 S CA -0.616 57.134 58.200 -0.751 0.000 0.858 709 S CB 2.814 65.175 63.200 -1.399 0.000 1.114 709 S HN 0.063 nan 8.310 nan 0.000 0.468 710 E N 0.874 120.931 120.200 -0.238 0.000 2.342 710 E HA 0.533 4.883 4.350 -0.000 0.000 0.257 710 E C 0.399 176.951 176.600 -0.079 0.000 1.150 710 E CA -0.559 55.774 56.400 -0.111 0.000 0.926 710 E CB 1.136 30.822 29.700 -0.023 0.000 1.074 710 E HN 0.881 nan 8.360 nan 0.000 0.449 711 A N -0.122 122.670 122.820 -0.047 0.000 2.407 711 A HA 0.443 4.763 4.320 -0.000 0.000 0.248 711 A C 1.006 178.597 177.584 0.012 0.000 1.082 711 A CA 0.555 52.578 52.037 -0.024 0.000 0.785 711 A CB -0.152 18.836 19.000 -0.019 0.000 1.020 711 A HN 0.745 nan 8.150 nan 0.000 0.489 712 G N 0.330 109.143 108.800 0.022 0.000 2.160 712 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.244 712 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.244 712 G C 0.065 174.995 174.900 0.050 0.000 1.022 712 G CA 0.713 45.823 45.100 0.017 0.000 0.741 712 G HN 1.676 nan 8.290 nan 0.000 0.508 713 H N 0.086 119.146 119.070 -0.018 0.000 2.652 713 H HA 0.542 5.098 4.556 -0.000 0.000 0.349 713 H C 0.443 175.815 175.328 0.073 0.000 1.099 713 H CA -0.686 55.378 56.048 0.026 0.000 1.417 713 H CB 0.372 30.139 29.762 0.009 0.000 1.457 713 H HN 0.047 nan 8.280 nan 0.000 0.568 714 I N 4.587 124.853 120.570 -0.507 0.000 2.325 714 I HA 0.037 4.207 4.170 -0.000 0.000 0.291 714 I C 1.072 177.037 176.117 -0.254 0.000 1.019 714 I CA -0.028 61.119 61.300 -0.256 0.000 1.302 714 I CB 0.777 38.701 38.000 -0.126 0.000 1.401 714 I HN 0.839 nan 8.210 nan 0.000 0.485 715 S N 3.797 119.565 115.700 0.113 0.000 2.526 715 S HA 0.664 5.134 4.470 -0.000 0.000 0.220 715 S C 0.489 175.343 174.600 0.424 0.000 1.017 715 S CA 0.116 58.514 58.200 0.329 0.000 0.930 715 S CB 0.635 64.140 63.200 0.507 0.000 0.856 715 S HN 0.754 nan 8.310 nan 0.000 0.497 716 A N 0.610 123.717 122.820 0.477 0.000 2.605 716 A HA 0.675 4.995 4.320 -0.000 0.000 0.294 716 A C -1.731 176.216 177.584 0.605 0.000 1.062 716 A CA -0.902 51.406 52.037 0.452 0.000 0.682 716 A CB 0.440 19.755 19.000 0.526 0.000 1.278 716 A HN 0.918 nan 8.150 nan 0.000 0.410 717 W N -0.009 121.462 121.300 0.285 0.000 3.005 717 W HA 0.809 5.469 4.660 -0.000 0.000 0.343 717 W C -1.184 175.375 176.519 0.067 0.000 1.243 717 W CA -0.643 56.757 57.345 0.091 0.000 1.186 717 W CB 1.202 30.659 29.460 -0.005 0.000 1.453 717 W HN 1.105 nan 8.180 nan 0.000 0.575 718 Q N 1.710 121.568 119.800 0.096 0.000 2.574 718 Q HA 0.302 4.642 4.340 -0.000 0.000 0.265 718 Q C -1.560 174.234 176.000 -0.342 0.000 0.975 718 Q CA -0.575 55.102 55.803 -0.210 0.000 0.923 718 Q CB 1.975 30.425 28.738 -0.479 0.000 1.518 718 Q HN 0.674 nan 8.270 nan 0.000 0.401 719 Q N 2.608 122.182 119.800 -0.378 0.000 2.458 719 Q HA 0.758 5.098 4.340 -0.000 0.000 0.282 719 Q C -1.222 174.674 176.000 -0.174 0.000 1.106 719 Q CA -0.664 55.065 55.803 -0.124 0.000 0.814 719 Q CB 2.028 30.878 28.738 0.186 0.000 1.425 719 Q HN 0.633 nan 8.270 nan 0.000 0.437 720 W N 1.195 122.699 121.300 0.339 0.000 3.127 720 W HA 0.437 5.097 4.660 -0.000 0.000 0.330 720 W C -0.609 175.926 176.519 0.027 0.000 1.187 720 W CA -0.800 56.663 57.345 0.197 0.000 1.198 720 W CB 2.215 31.723 29.460 0.080 0.000 1.408 720 W HN 0.680 nan 8.180 nan 0.000 0.529 721 R N 2.598 122.998 120.500 -0.167 0.000 2.202 721 R HA 0.291 4.631 4.340 -0.000 0.000 0.334 721 R C 0.763 176.839 176.300 -0.373 0.000 1.036 721 R CA -0.141 55.451 56.100 -0.846 0.000 0.878 721 R CB 0.613 30.044 30.300 -1.448 0.000 1.067 721 R HN 0.607 nan 8.270 nan 0.000 0.457 722 L N 2.769 123.823 121.223 -0.282 0.000 2.049 722 L HA 0.178 4.518 4.340 -0.000 0.000 0.203 722 L C 0.897 177.666 176.870 -0.168 0.000 1.074 722 L CA 1.020 55.766 54.840 -0.156 0.000 0.749 722 L CB -0.163 41.847 42.059 -0.082 0.000 0.907 722 L HN 0.664 nan 8.230 nan 0.000 0.439 723 A N -0.807 121.896 122.820 -0.194 0.000 2.588 723 A HA 0.622 4.942 4.320 -0.000 0.000 0.290 723 A C -1.420 176.075 177.584 -0.149 0.000 1.136 723 A CA -0.437 51.515 52.037 -0.142 0.000 0.681 723 A CB 1.856 20.808 19.000 -0.081 0.000 1.282 723 A HN 0.057 nan 8.150 nan 0.000 0.421 724 E N 0.410 120.553 120.200 -0.095 0.000 2.275 724 E HA 0.425 4.775 4.350 -0.000 0.000 0.270 724 E C -1.677 174.908 176.600 -0.026 0.000 0.882 724 E CA -0.640 55.722 56.400 -0.064 0.000 0.758 724 E CB 1.272 30.932 29.700 -0.068 0.000 1.195 724 E HN 0.544 nan 8.360 nan 0.000 0.419 725 N N 4.598 123.297 118.700 -0.002 0.000 2.564 725 N HA 0.295 5.035 4.740 -0.000 0.000 0.248 725 N C -0.657 174.865 175.510 0.021 0.000 0.986 725 N CA -0.317 52.739 53.050 0.010 0.000 0.921 725 N CB 1.044 39.542 38.487 0.018 0.000 1.136 725 N HN 0.476 nan 8.380 nan 0.000 0.509 726 L N 0.674 121.908 121.223 0.018 0.000 2.456 726 L HA 0.131 4.471 4.340 -0.000 0.000 0.272 726 L C 1.199 178.089 176.870 0.033 0.000 1.189 726 L CA 0.112 54.969 54.840 0.028 0.000 0.846 726 L CB 0.544 42.618 42.059 0.025 0.000 1.111 726 L HN 0.331 nan 8.230 nan 0.000 0.475 727 S N 1.394 117.120 115.700 0.042 0.000 2.465 727 S HA 0.278 4.748 4.470 -0.000 0.000 0.279 727 S C 0.558 175.181 174.600 0.038 0.000 1.201 727 S CA -0.898 57.328 58.200 0.043 0.000 1.053 727 S CB 0.809 64.040 63.200 0.052 0.000 0.953 727 S HN 0.437 nan 8.310 nan 0.000 0.488 728 V N 2.575 122.509 119.914 0.032 0.000 3.376 728 V HA 0.299 4.419 4.120 -0.000 0.000 0.313 728 V C 0.871 176.981 176.094 0.028 0.000 1.393 728 V CA -0.015 62.302 62.300 0.028 0.000 1.125 728 V CB -1.064 30.773 31.823 0.023 0.000 1.037 728 V HN 0.838 nan 8.190 nan 0.000 0.440 729 T N 0.112 114.685 114.554 0.031 0.000 2.902 729 T HA 0.755 5.105 4.350 -0.000 0.000 0.280 729 T C -0.515 174.203 174.700 0.029 0.000 0.992 729 T CA -0.496 61.621 62.100 0.029 0.000 1.015 729 T CB 1.905 70.789 68.868 0.028 0.000 1.044 729 T HN 0.210 nan 8.240 nan 0.000 0.520 730 L N 1.810 123.047 121.223 0.025 0.000 2.334 730 L HA 0.599 4.939 4.340 -0.000 0.000 0.273 730 L C -1.970 174.911 176.870 0.019 0.000 1.013 730 L CA -2.125 52.728 54.840 0.022 0.000 0.816 730 L CB 0.530 42.599 42.059 0.017 0.000 1.278 730 L HN 0.593 nan 8.230 nan 0.000 0.431 731 P HA 0.336 nan 4.420 nan 0.000 0.271 731 P C -0.716 176.583 177.300 -0.001 0.000 1.216 731 P CA -0.410 62.697 63.100 0.011 0.000 0.771 731 P CB 0.964 32.671 31.700 0.011 0.000 0.864 732 A N 2.651 125.467 122.820 -0.006 0.000 2.332 732 A HA 0.554 4.874 4.320 -0.000 0.000 0.258 732 A C 0.574 178.125 177.584 -0.055 0.000 1.087 732 A CA -0.193 51.833 52.037 -0.019 0.000 0.802 732 A CB -0.157 18.838 19.000 -0.009 0.000 1.042 732 A HN 0.738 nan 8.150 nan 0.000 0.489 733 A N 1.177 123.956 122.820 -0.068 0.000 2.520 733 A HA 0.487 4.807 4.320 -0.000 0.000 0.235 733 A C 0.788 178.204 177.584 -0.280 0.000 1.065 733 A CA 0.475 52.440 52.037 -0.119 0.000 0.764 733 A CB -0.423 18.532 19.000 -0.076 0.000 1.002 733 A HN 1.512 nan 8.150 nan 0.000 0.502 734 S N 0.714 116.255 115.700 -0.265 0.000 2.608 734 S HA 0.494 4.964 4.470 -0.000 0.000 0.291 734 S C 0.231 174.592 174.600 -0.398 0.000 1.146 734 S CA -0.726 57.267 58.200 -0.344 0.000 1.043 734 S CB 0.831 63.949 63.200 -0.136 0.000 1.037 734 S HN 0.668 nan 8.310 nan 0.000 0.520 735 H N 0.200 119.280 119.070 0.017 0.000 2.539 735 H HA 0.557 5.113 4.556 -0.000 0.000 0.269 735 H C 0.585 175.920 175.328 0.013 0.000 0.980 735 H CA 0.553 56.609 56.048 0.013 0.000 1.152 735 H CB -0.091 29.677 29.762 0.011 0.000 1.407 735 H HN 0.775 nan 8.280 nan 0.000 0.564 736 A N 0.952 123.804 122.820 0.054 0.000 2.599 736 A HA 0.618 4.938 4.320 -0.000 0.000 0.290 736 A C -1.061 176.540 177.584 0.028 0.000 1.101 736 A CA -0.777 51.291 52.037 0.051 0.000 0.674 736 A CB 1.472 20.513 19.000 0.068 0.000 1.277 736 A HN 0.215 nan 8.150 nan 0.000 0.419 737 I N -1.550 119.041 120.570 0.036 0.000 2.865 737 I HA 0.790 4.960 4.170 -0.000 0.000 0.302 737 I C -2.874 173.280 176.117 0.062 0.000 1.140 737 I CA -2.583 58.736 61.300 0.032 0.000 1.021 737 I CB 2.402 40.410 38.000 0.013 0.000 1.233 737 I HN 0.392 nan 8.210 nan 0.000 0.427 738 P HA 0.014 nan 4.420 nan 0.000 0.269 738 P C -1.327 176.061 177.300 0.147 0.000 1.211 738 P CA 0.382 63.540 63.100 0.096 0.000 0.781 738 P CB 0.191 31.905 31.700 0.024 0.000 0.877 739 H N 1.897 120.996 119.070 0.048 0.000 2.587 739 H HA 0.370 4.926 4.556 -0.000 0.000 0.325 739 H C -1.016 174.339 175.328 0.045 0.000 1.012 739 H CA -1.109 54.960 56.048 0.036 0.000 1.213 739 H CB 0.954 30.739 29.762 0.038 0.000 1.431 739 H HN 0.201 nan 8.280 nan 0.000 0.492 740 L N 5.072 126.171 121.223 -0.207 0.000 2.326 740 L HA 0.316 4.656 4.340 -0.000 0.000 0.278 740 L C -0.737 175.926 176.870 -0.345 0.000 1.092 740 L CA 0.276 54.970 54.840 -0.242 0.000 0.810 740 L CB 1.388 43.371 42.059 -0.127 0.000 1.153 740 L HN 0.644 nan 8.230 nan 0.000 0.439 741 T N 3.026 117.467 114.554 -0.187 0.000 2.921 741 T HA 0.428 4.777 4.350 -0.000 0.000 0.297 741 T C -0.634 174.114 174.700 0.081 0.000 1.013 741 T CA -0.459 61.586 62.100 -0.091 0.000 0.990 741 T CB 1.389 70.186 68.868 -0.118 0.000 1.023 741 T HN 0.610 nan 8.240 nan 0.000 0.447 742 T N 2.592 117.213 114.554 0.112 0.000 2.821 742 T HA 0.487 4.837 4.350 -0.000 0.000 0.307 742 T C 0.605 175.368 174.700 0.104 0.000 1.034 742 T CA -0.479 61.746 62.100 0.208 0.000 0.953 742 T CB 1.030 70.049 68.868 0.252 0.000 0.968 742 T HN 0.636 nan 8.240 nan 0.000 0.462 743 S N 2.161 117.897 115.700 0.059 0.000 2.598 743 S HA 0.251 4.721 4.470 -0.000 0.000 0.267 743 S C 1.291 175.869 174.600 -0.036 0.000 1.189 743 S CA -0.333 57.871 58.200 0.006 0.000 1.010 743 S CB 0.995 64.193 63.200 -0.004 0.000 1.084 743 S HN 0.778 nan 8.310 nan 0.000 0.541 744 E N -0.989 119.182 120.200 -0.048 0.000 2.364 744 E HA 0.065 4.415 4.350 -0.000 0.000 0.196 744 E C 1.399 177.930 176.600 -0.114 0.000 0.990 744 E CA 0.122 56.482 56.400 -0.067 0.000 0.886 744 E CB -0.015 29.663 29.700 -0.037 0.000 0.866 744 E HN 0.578 nan 8.360 nan 0.000 0.493 745 M N 1.253 120.793 119.600 -0.101 0.000 2.501 745 M HA 0.161 4.641 4.480 -0.000 0.000 0.261 745 M C -0.317 175.893 176.300 -0.150 0.000 1.129 745 M CA 0.790 56.031 55.300 -0.098 0.000 1.126 745 M CB -0.256 32.319 32.600 -0.042 0.000 1.359 745 M HN 0.112 nan 8.290 nan 0.000 0.471 746 D N -2.095 118.183 120.400 -0.204 0.000 2.879 746 D HA 0.389 5.029 4.640 -0.000 0.000 0.346 746 D C -0.975 175.177 176.300 -0.246 0.000 1.390 746 D CA -0.701 53.142 54.000 -0.262 0.000 0.838 746 D CB 0.635 41.418 40.800 -0.029 0.000 1.416 746 D HN -0.040 nan 8.370 nan 0.000 0.493 750 E N 4.342 124.686 120.200 0.240 0.000 2.277 750 E HA 0.881 5.231 4.350 -0.000 0.000 0.266 750 E C -1.680 175.092 176.600 0.288 0.000 0.901 750 E CA -0.834 55.713 56.400 0.245 0.000 0.782 750 E CB 2.923 32.701 29.700 0.130 0.000 1.228 750 E HN 0.554 nan 8.360 nan 0.000 0.424 751 L N 3.798 125.179 121.223 0.264 0.000 2.929 751 L HA 0.461 4.801 4.340 -0.000 0.000 0.246 751 L C -0.148 176.803 176.870 0.136 0.000 0.960 751 L CA 0.720 55.696 54.840 0.226 0.000 1.056 751 L CB 0.801 43.046 42.059 0.310 0.000 1.437 751 L HN 0.757 nan 8.230 nan 0.000 0.514 752 G N 3.806 112.655 108.800 0.082 0.000 2.527 752 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.268 752 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.268 752 G C 0.565 175.465 174.900 0.000 0.000 1.175 752 G CA 0.474 45.597 45.100 0.038 0.000 0.962 752 G HN 1.059 nan 8.290 nan 0.000 0.560 753 N N 1.009 119.694 118.700 -0.025 0.000 2.396 753 N HA 0.006 4.746 4.740 -0.000 0.000 0.180 753 N C 0.834 176.282 175.510 -0.103 0.000 1.028 753 N CA 1.449 54.465 53.050 -0.057 0.000 0.893 753 N CB -0.155 38.300 38.487 -0.052 0.000 0.967 753 N HN 0.778 nan 8.380 nan 0.000 0.440 754 K N 0.385 120.704 120.400 -0.135 0.000 2.270 754 K HA 0.316 4.636 4.320 -0.000 0.000 0.276 754 K C -0.136 176.247 176.600 -0.362 0.000 1.023 754 K CA -0.075 56.006 56.287 -0.343 0.000 0.955 754 K CB 1.001 33.233 32.500 -0.447 0.000 0.975 754 K HN 0.047 nan 8.250 nan 0.000 0.471 755 R N 1.667 121.829 120.500 -0.564 0.000 2.604 755 R HA 0.355 4.695 4.340 -0.000 0.000 0.270 755 R C -1.699 174.470 176.300 -0.219 0.000 1.052 755 R CA -0.647 55.331 56.100 -0.203 0.000 0.902 755 R CB 1.348 31.595 30.300 -0.088 0.000 1.233 755 R HN 0.598 nan 8.270 nan 0.000 0.455 756 W N 3.039 124.445 121.300 0.177 0.000 2.883 756 W HA 0.344 5.004 4.660 -0.000 0.000 0.335 756 W C -0.745 175.854 176.519 0.132 0.000 1.083 756 W CA -0.555 56.851 57.345 0.101 0.000 1.233 756 W CB 2.258 31.749 29.460 0.051 0.000 1.412 756 W HN 0.428 nan 8.180 nan 0.000 0.490 757 Q N 2.650 122.585 119.800 0.224 0.000 2.337 757 Q HA 0.481 4.821 4.340 -0.000 0.000 0.270 757 Q C -2.020 173.906 176.000 -0.124 0.000 1.043 757 Q CA -0.504 55.411 55.803 0.187 0.000 0.794 757 Q CB 1.806 30.721 28.738 0.294 0.000 1.281 757 Q HN 0.372 nan 8.270 nan 0.000 0.446 758 F N 2.782 122.825 119.950 0.155 0.000 2.426 758 F HA 0.316 4.843 4.527 -0.000 0.000 0.348 758 F C 0.625 176.445 175.800 0.034 0.000 1.124 758 F CA -0.813 57.245 58.000 0.096 0.000 1.008 758 F CB 1.378 40.454 39.000 0.126 0.000 1.139 758 F HN 0.518 nan 8.300 nan 0.000 0.452 759 N N 3.478 122.277 118.700 0.164 0.000 2.497 759 N HA 0.076 4.816 4.740 -0.000 0.000 0.268 759 N C 0.886 176.396 175.510 0.001 0.000 1.171 759 N CA 0.048 53.140 53.050 0.069 0.000 0.948 759 N CB 0.793 39.331 38.487 0.085 0.000 1.069 759 N HN 0.708 nan 8.380 nan 0.000 0.460 760 R N 1.362 121.784 120.500 -0.131 0.000 2.236 760 R HA -0.030 4.310 4.340 -0.000 0.000 0.208 760 R C 1.457 177.681 176.300 -0.127 0.000 1.036 760 R CA 0.965 56.929 56.100 -0.225 0.000 1.001 760 R CB 0.242 30.292 30.300 -0.416 0.000 0.896 760 R HN 0.698 nan 8.270 nan 0.000 0.464 761 Q N -0.480 119.280 119.800 -0.067 0.000 2.373 761 Q HA 0.040 4.380 4.340 -0.000 0.000 0.210 761 Q C 1.741 177.724 176.000 -0.028 0.000 0.913 761 Q CA 1.211 56.986 55.803 -0.048 0.000 0.911 761 Q CB 0.242 28.967 28.738 -0.022 0.000 1.040 761 Q HN 0.223 nan 8.270 nan 0.000 0.521 762 S N 0.297 116.006 115.700 0.015 0.000 2.439 762 S HA 0.227 4.697 4.470 -0.000 0.000 0.224 762 S C 1.599 176.114 174.600 -0.141 0.000 1.029 762 S CA 0.792 59.031 58.200 0.064 0.000 0.946 762 S CB -0.078 63.284 63.200 0.271 0.000 0.797 762 S HN 0.585 nan 8.310 nan 0.000 0.504 763 G N 0.431 109.163 108.800 -0.113 0.000 2.143 763 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.248 763 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.248 763 G C -0.106 174.653 174.900 -0.236 0.000 0.991 763 G CA 0.365 45.363 45.100 -0.170 0.000 0.689 763 G HN 0.534 nan 8.290 nan 0.000 0.522 764 F N -1.362 118.774 119.950 0.309 0.000 2.575 764 F HA 0.680 5.207 4.527 -0.000 0.000 0.330 764 F C 0.464 176.338 175.800 0.123 0.000 1.056 764 F CA -1.469 56.690 58.000 0.265 0.000 0.964 764 F CB 1.383 40.483 39.000 0.168 0.000 1.258 764 F HN 0.011 nan 8.300 nan 0.000 0.484 765 L N 1.555 122.906 121.223 0.212 0.000 2.456 765 L HA 0.211 4.550 4.340 -0.000 0.000 0.277 765 L C 0.558 177.347 176.870 -0.136 0.000 1.124 765 L CA 0.785 55.364 54.840 -0.434 0.000 0.880 765 L CB 0.245 42.062 42.059 -0.402 0.000 1.192 765 L HN 0.635 nan 8.230 nan 0.000 0.463 766 S N 2.659 118.264 115.700 -0.158 0.000 2.456 766 S HA 0.144 4.614 4.470 -0.000 0.000 0.224 766 S C 0.343 174.850 174.600 -0.156 0.000 1.035 766 S CA 0.330 58.489 58.200 -0.068 0.000 0.940 766 S CB 0.040 63.240 63.200 0.001 0.000 0.799 766 S HN 0.741 nan 8.310 nan 0.000 0.508 767 Q N -0.152 119.503 119.800 -0.242 0.000 2.633 767 Q HA 0.626 4.966 4.340 -0.000 0.000 0.289 767 Q C -1.654 174.039 176.000 -0.512 0.000 0.940 767 Q CA -0.608 54.930 55.803 -0.441 0.000 0.785 767 Q CB 1.351 29.713 28.738 -0.627 0.000 1.467 767 Q HN 0.262 nan 8.270 nan 0.000 0.401 768 M N 0.319 119.476 119.600 -0.739 0.000 2.465 768 M HA 0.782 5.262 4.480 -0.000 0.000 0.284 768 M C -1.964 173.919 176.300 -0.696 0.000 1.212 768 M CA -0.288 54.659 55.300 -0.588 0.000 0.910 768 M CB 1.999 34.286 32.600 -0.521 0.000 1.725 768 M HN 0.510 nan 8.290 nan 0.000 0.477 769 W N 3.274 124.348 121.300 -0.376 0.000 2.844 769 W HA 0.693 5.353 4.660 -0.000 0.000 0.340 769 W C -1.525 174.787 176.519 -0.345 0.000 1.093 769 W CA -0.897 56.278 57.345 -0.283 0.000 1.212 769 W CB 2.003 31.331 29.460 -0.219 0.000 1.422 769 W HN 0.578 nan 8.180 nan 0.000 0.515 770 I N 2.139 122.716 120.570 0.011 0.000 2.418 770 I HA 0.452 4.622 4.170 -0.000 0.000 0.287 770 I C 0.828 176.944 176.117 -0.002 0.000 1.008 770 I CA 0.249 61.507 61.300 -0.071 0.000 1.104 770 I CB 1.270 39.200 38.000 -0.116 0.000 1.264 770 I HN 0.722 nan 8.210 nan 0.000 0.438 771 G N 5.595 114.381 108.800 -0.022 0.000 2.583 771 G HA2 -0.301 3.658 3.960 -0.000 0.000 0.292 771 G HA3 -0.301 3.658 3.960 -0.000 0.000 0.292 771 G C 0.322 175.243 174.900 0.036 0.000 1.203 771 G CA 0.518 45.611 45.100 -0.011 0.000 0.987 771 G HN 0.788 nan 8.290 nan 0.000 0.554 772 D N 0.744 121.179 120.400 0.058 0.000 2.402 772 D HA 0.231 4.871 4.640 -0.000 0.000 0.216 772 D C 0.584 177.024 176.300 0.233 0.000 1.128 772 D CA 0.133 54.201 54.000 0.114 0.000 0.833 772 D CB 0.376 41.199 40.800 0.037 0.000 0.971 772 D HN 0.440 nan 8.370 nan 0.000 0.503 773 K N 0.996 121.503 120.400 0.178 0.000 2.211 773 K HA 0.295 4.615 4.320 -0.000 0.000 0.275 773 K C -0.070 176.503 176.600 -0.045 0.000 1.024 773 K CA -0.505 55.826 56.287 0.073 0.000 0.887 773 K CB 1.851 34.350 32.500 -0.001 0.000 1.084 773 K HN -0.155 nan 8.250 nan 0.000 0.463 774 K N 1.813 122.091 120.400 -0.203 0.000 2.258 774 K HA 0.047 4.367 4.320 -0.000 0.000 0.264 774 K C 0.758 177.150 176.600 -0.348 0.000 1.007 774 K CA -0.155 55.794 56.287 -0.563 0.000 0.941 774 K CB 0.725 32.943 32.500 -0.469 0.000 0.966 774 K HN 0.434 nan 8.250 nan 0.000 0.480 775 Q N 0.989 120.557 119.800 -0.387 0.000 2.316 775 Q HA 0.213 4.553 4.340 -0.000 0.000 0.235 775 Q C -0.135 175.781 176.000 -0.140 0.000 0.863 775 Q CA 0.415 56.113 55.803 -0.174 0.000 0.939 775 Q CB 0.589 29.279 28.738 -0.079 0.000 1.108 775 Q HN 0.465 nan 8.270 nan 0.000 0.522 776 L N 0.750 121.838 121.223 -0.224 0.000 2.362 776 L HA 0.426 4.765 4.340 -0.000 0.000 0.271 776 L C 0.839 177.584 176.870 -0.208 0.000 1.002 776 L CA -0.462 54.268 54.840 -0.183 0.000 0.818 776 L CB 1.680 43.637 42.059 -0.170 0.000 1.298 776 L HN -0.119 nan 8.230 nan 0.000 0.420 777 L N -0.543 120.548 121.223 -0.220 0.000 2.513 777 L HA 0.275 4.615 4.340 -0.000 0.000 0.222 777 L C 0.429 177.186 176.870 -0.188 0.000 1.096 777 L CA 0.561 55.276 54.840 -0.208 0.000 0.857 777 L CB 0.053 41.975 42.059 -0.229 0.000 1.026 777 L HN 0.577 nan 8.230 nan 0.000 0.469 778 T N 0.606 115.034 114.554 -0.210 0.000 2.912 778 T HA 0.428 4.777 4.350 -0.000 0.000 0.299 778 T C -2.655 171.989 174.700 -0.092 0.000 1.052 778 T CA -1.167 60.853 62.100 -0.135 0.000 0.996 778 T CB 2.630 71.396 68.868 -0.171 0.000 1.070 778 T HN -0.225 nan 8.240 nan 0.000 0.465 779 P HA 0.228 nan 4.420 nan 0.000 0.272 779 P C -0.668 176.606 177.300 -0.043 0.000 1.223 779 P CA -0.733 62.348 63.100 -0.031 0.000 0.784 779 P CB 0.445 32.153 31.700 0.013 0.000 0.923 780 L N 3.924 125.159 121.223 0.020 0.000 2.361 780 L HA 0.291 4.631 4.340 -0.000 0.000 0.278 780 L C 0.578 177.391 176.870 -0.096 0.000 1.113 780 L CA 0.585 55.459 54.840 0.055 0.000 0.849 780 L CB -0.541 41.660 42.059 0.238 0.000 1.155 780 L HN 0.465 nan 8.230 nan 0.000 0.452 781 R N 2.098 122.486 120.500 -0.187 0.000 2.734 781 R HA 0.487 4.827 4.340 -0.000 0.000 0.271 781 R C -1.215 174.963 176.300 -0.203 0.000 1.021 781 R CA -0.969 54.902 56.100 -0.381 0.000 0.893 781 R CB 0.410 30.132 30.300 -0.963 0.000 1.244 781 R HN 0.436 nan 8.270 nan 0.000 0.464 782 D N 0.989 121.314 120.400 -0.125 0.000 2.423 782 D HA 0.094 4.733 4.640 -0.000 0.000 0.238 782 D C -0.443 175.495 176.300 -0.604 0.000 1.142 782 D CA 0.456 54.242 54.000 -0.356 0.000 0.884 782 D CB 0.636 41.190 40.800 -0.411 0.000 1.199 782 D HN 0.353 nan 8.370 nan 0.000 0.438 783 Q N 1.139 120.361 119.800 -0.963 0.000 2.271 783 Q HA 0.320 4.660 4.340 -0.000 0.000 0.268 783 Q C -1.222 174.050 176.000 -1.214 0.000 1.021 783 Q CA -0.581 54.705 55.803 -0.862 0.000 0.802 783 Q CB 0.793 29.252 28.738 -0.466 0.000 1.282 783 Q HN 0.547 nan 8.270 nan 0.000 0.431 784 F N 0.735 120.343 119.950 -0.570 0.000 2.706 784 F HA 0.198 4.725 4.527 -0.000 0.000 0.313 784 F C 0.776 176.191 175.800 -0.641 0.000 1.096 784 F CA -0.124 57.447 58.000 -0.715 0.000 1.219 784 F CB 1.423 39.757 39.000 -1.112 0.000 1.051 784 F HN 0.452 nan 8.300 nan 0.000 0.568 785 T N -0.980 113.315 114.554 -0.432 0.000 2.858 785 T HA 0.764 5.114 4.350 -0.000 0.000 0.285 785 T C -0.586 173.888 174.700 -0.377 0.000 1.052 785 T CA -0.983 60.787 62.100 -0.550 0.000 1.009 785 T CB 2.757 71.255 68.868 -0.617 0.000 1.241 785 T HN 0.227 nan 8.240 nan 0.000 0.542 786 R N -0.410 119.903 120.500 -0.310 0.000 2.774 786 R HA 0.751 5.091 4.340 -0.000 0.000 0.272 786 R C -1.091 175.275 176.300 0.109 0.000 1.000 786 R CA -1.175 54.871 56.100 -0.089 0.000 0.906 786 R CB 1.504 31.757 30.300 -0.078 0.000 1.227 786 R HN 0.846 nan 8.270 nan 0.000 0.468 787 A N 3.259 126.125 122.820 0.077 0.000 2.444 787 A HA 0.329 4.649 4.320 -0.000 0.000 0.287 787 A C -2.060 175.599 177.584 0.125 0.000 1.195 787 A CA -1.458 50.626 52.037 0.079 0.000 0.858 787 A CB -0.456 18.544 19.000 0.000 0.000 1.117 787 A HN 0.519 nan 8.150 nan 0.000 0.521 788 P HA 0.017 nan 4.420 nan 0.000 0.263 788 P C -0.275 177.144 177.300 0.198 0.000 1.168 788 P CA 0.586 63.846 63.100 0.267 0.000 0.759 788 P CB 0.294 32.173 31.700 0.297 0.000 0.782 789 L N 2.396 123.707 121.223 0.147 0.000 2.416 789 L HA 0.226 4.566 4.340 -0.000 0.000 0.262 789 L C 1.755 178.649 176.870 0.040 0.000 1.093 789 L CA -0.623 54.244 54.840 0.044 0.000 0.801 789 L CB 0.251 42.270 42.059 -0.066 0.000 1.191 789 L HN 0.311 nan 8.230 nan 0.000 0.459 790 D N 0.581 120.953 120.400 -0.046 0.000 2.116 790 D HA -0.182 4.457 4.640 -0.000 0.000 0.193 790 D C 1.587 177.871 176.300 -0.028 0.000 0.998 790 D CA 1.583 55.519 54.000 -0.107 0.000 0.836 790 D CB 0.059 40.754 40.800 -0.176 0.000 0.951 790 D HN 0.503 nan 8.370 nan 0.000 0.449 791 N N 1.185 119.868 118.700 -0.029 0.000 2.149 791 N HA -0.133 4.607 4.740 -0.000 0.000 0.188 791 N C 1.230 176.771 175.510 0.051 0.000 1.019 791 N CA 0.867 53.918 53.050 0.002 0.000 0.857 791 N CB -0.329 38.137 38.487 -0.035 0.000 0.997 791 N HN 0.285 nan 8.380 nan 0.000 0.426 792 D N 0.309 120.755 120.400 0.077 0.000 2.224 792 D HA 0.006 4.646 4.640 -0.000 0.000 0.205 792 D C 2.001 178.368 176.300 0.112 0.000 0.965 792 D CA 0.381 54.465 54.000 0.141 0.000 0.852 792 D CB 0.022 40.980 40.800 0.262 0.000 0.947 792 D HN 0.333 nan 8.370 nan 0.000 0.494 793 I N 0.472 121.091 120.570 0.082 0.000 2.400 793 I HA -0.006 4.163 4.170 -0.000 0.000 0.248 793 I C 1.108 177.238 176.117 0.021 0.000 1.109 793 I CA 0.452 61.782 61.300 0.050 0.000 1.425 793 I CB -0.276 37.734 38.000 0.017 0.000 1.094 793 I HN -0.018 nan 8.210 nan 0.000 0.425 794 G N 2.829 111.651 108.800 0.037 0.000 2.247 794 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.260 794 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.260 794 G C -0.146 174.789 174.900 0.060 0.000 0.852 794 G CA 0.579 45.717 45.100 0.064 0.000 1.281 794 G HN 0.442 nan 8.290 nan 0.000 0.378 795 V N -1.045 118.901 119.914 0.053 0.000 2.841 795 V HA 0.903 5.023 4.120 -0.000 0.000 0.310 795 V C 0.628 176.613 176.094 -0.182 0.000 1.090 795 V CA 0.194 62.463 62.300 -0.051 0.000 0.930 795 V CB 1.744 33.509 31.823 -0.096 0.000 1.014 795 V HN 1.098 nan 8.190 nan 0.000 0.425 796 S N 1.367 116.777 115.700 -0.483 0.000 2.506 796 S HA 0.364 4.834 4.470 -0.000 0.000 0.219 796 S C 0.280 174.189 174.600 -1.152 0.000 1.031 796 S CA -0.116 57.302 58.200 -1.303 0.000 0.911 796 S CB -0.080 62.254 63.200 -1.444 0.000 0.812 796 S HN 0.859 nan 8.310 nan 0.000 0.497 797 E N 0.784 120.611 120.200 -0.622 0.000 2.241 797 E HA 0.586 4.936 4.350 -0.000 0.000 0.263 797 E C 0.355 176.789 176.600 -0.277 0.000 0.882 797 E CA -0.285 55.851 56.400 -0.439 0.000 0.769 797 E CB 1.860 31.331 29.700 -0.381 0.000 1.185 797 E HN 0.221 nan 8.360 nan 0.000 0.415 798 A N 2.819 125.514 122.820 -0.208 0.000 1.971 798 A HA -0.267 4.053 4.320 -0.000 0.000 0.222 798 A C 2.003 179.530 177.584 -0.096 0.000 1.182 798 A CA 2.613 54.581 52.037 -0.114 0.000 0.649 798 A CB -0.800 18.162 19.000 -0.063 0.000 0.818 798 A HN 0.653 nan 8.150 nan 0.000 0.458 799 T N -0.166 114.317 114.554 -0.118 0.000 2.708 799 T HA -0.067 4.283 4.350 -0.000 0.000 0.266 799 T C 0.962 175.604 174.700 -0.097 0.000 1.037 799 T CA 1.271 63.311 62.100 -0.100 0.000 1.146 799 T CB -0.191 68.604 68.868 -0.122 0.000 0.865 799 T HN 0.592 nan 8.240 nan 0.000 0.435 800 R N 1.951 122.375 120.500 -0.127 0.000 2.207 800 R HA 0.527 4.867 4.340 -0.000 0.000 0.334 800 R C -0.665 175.574 176.300 -0.102 0.000 1.013 800 R CA -0.600 55.431 56.100 -0.115 0.000 0.858 800 R CB 0.516 30.733 30.300 -0.139 0.000 1.094 800 R HN 0.374 nan 8.270 nan 0.000 0.457 801 I N -1.285 119.240 120.570 -0.075 0.000 2.385 801 I HA 0.348 4.518 4.170 -0.000 0.000 0.294 801 I C -0.479 175.600 176.117 -0.063 0.000 0.988 801 I CA -0.455 60.808 61.300 -0.062 0.000 1.265 801 I CB 1.464 39.437 38.000 -0.044 0.000 1.388 801 I HN 0.326 nan 8.210 nan 0.000 0.480 802 D N 7.685 128.046 120.400 -0.065 0.000 2.427 802 D HA 0.431 5.071 4.640 -0.000 0.000 0.226 802 D C -1.820 174.421 176.300 -0.098 0.000 1.076 802 D CA -2.413 51.541 54.000 -0.078 0.000 0.849 802 D CB 1.713 42.468 40.800 -0.075 0.000 1.052 802 D HN 0.373 nan 8.370 nan 0.000 0.515 803 P HA -0.103 nan 4.420 nan 0.000 0.223 803 P C 0.568 177.768 177.300 -0.166 0.000 1.144 803 P CA 0.732 63.768 63.100 -0.107 0.000 0.783 803 P CB 0.410 32.056 31.700 -0.089 0.000 0.771 804 N N -0.511 118.075 118.700 -0.191 0.000 2.353 804 N HA 0.086 4.826 4.740 -0.000 0.000 0.185 804 N C 0.755 176.028 175.510 -0.395 0.000 1.098 804 N CA 0.087 52.965 53.050 -0.287 0.000 0.872 804 N CB -0.054 38.285 38.487 -0.246 0.000 0.970 804 N HN 0.098 nan 8.380 nan 0.000 0.467 805 A N 0.072 122.723 122.820 -0.281 0.000 2.498 805 A HA 0.029 4.349 4.320 -0.000 0.000 0.239 805 A C 0.833 178.169 177.584 -0.412 0.000 1.068 805 A CA -0.328 51.544 52.037 -0.276 0.000 0.766 805 A CB 0.028 18.953 19.000 -0.125 0.000 1.003 805 A HN 0.330 nan 8.150 nan 0.000 0.497 806 W N 1.772 122.790 121.300 -0.470 0.000 2.302 806 W HA -0.225 4.435 4.660 -0.000 0.000 0.320 806 W C 2.254 178.172 176.519 -1.001 0.000 1.241 806 W CA 1.926 58.688 57.345 -0.972 0.000 1.264 806 W CB -0.457 28.300 29.460 -1.171 0.000 1.154 806 W HN 0.551 nan 8.180 nan 0.000 0.483 807 V N 0.625 120.425 119.914 -0.191 0.000 2.332 807 V HA -0.293 3.826 4.120 -0.000 0.000 0.248 807 V C 2.303 178.477 176.094 0.133 0.000 1.055 807 V CA 2.208 64.621 62.300 0.188 0.000 1.038 807 V CB -0.465 31.507 31.823 0.249 0.000 0.651 807 V HN 0.072 nan 8.190 nan 0.000 0.450 808 E N 0.190 120.371 120.200 -0.030 0.000 2.058 808 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 808 E C 2.379 178.944 176.600 -0.058 0.000 0.997 808 E CA 1.443 57.821 56.400 -0.037 0.000 0.801 808 E CB -0.370 29.272 29.700 -0.096 0.000 0.746 808 E HN 0.628 nan 8.360 nan 0.000 0.450 809 R N -0.446 119.937 120.500 -0.195 0.000 2.075 809 R HA -0.125 4.215 4.340 -0.000 0.000 0.232 809 R C 2.315 178.561 176.300 -0.090 0.000 1.126 809 R CA 1.114 57.084 56.100 -0.217 0.000 0.963 809 R CB -0.434 29.612 30.300 -0.422 0.000 0.858 809 R HN 0.274 nan 8.270 nan 0.000 0.435 810 W N 1.982 123.238 121.300 -0.073 0.000 2.358 810 W HA -0.032 4.628 4.660 -0.000 0.000 0.303 810 W C 2.062 178.547 176.519 -0.057 0.000 1.208 810 W CA 0.387 57.595 57.345 -0.228 0.000 1.274 810 W CB -0.575 28.869 29.460 -0.026 0.000 1.138 810 W HN 0.120 nan 8.180 nan 0.000 0.515 811 K N -0.001 120.629 120.400 0.384 0.000 1.985 811 K HA -0.118 4.202 4.320 -0.000 0.000 0.210 811 K C 2.200 178.886 176.600 0.144 0.000 1.047 811 K CA 1.737 58.217 56.287 0.322 0.000 0.932 811 K CB -0.649 31.983 32.500 0.220 0.000 0.716 811 K HN -0.025 nan 8.250 nan 0.000 0.439 812 A N 1.198 124.067 122.820 0.082 0.000 2.024 812 A HA -0.139 4.181 4.320 -0.000 0.000 0.220 812 A C 2.185 179.780 177.584 0.018 0.000 1.164 812 A CA 1.927 53.990 52.037 0.043 0.000 0.643 812 A CB -0.491 18.515 19.000 0.010 0.000 0.806 812 A HN 0.392 nan 8.150 nan 0.000 0.451 813 A N -2.125 120.688 122.820 -0.011 0.000 2.123 813 A HA 0.396 4.715 4.320 -0.000 0.000 0.214 813 A C 1.891 179.408 177.584 -0.112 0.000 1.152 813 A CA 1.305 53.335 52.037 -0.011 0.000 0.728 813 A CB -0.716 18.261 19.000 -0.039 0.000 0.814 813 A HN 1.887 nan 8.150 nan 0.000 0.464 814 G N -1.819 106.859 108.800 -0.203 0.000 2.141 814 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.231 814 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.231 814 G C 0.610 175.478 174.900 -0.054 0.000 0.984 814 G CA 0.611 45.386 45.100 -0.543 0.000 0.660 814 G HN 0.705 nan 8.290 nan 0.000 0.525 815 H N -1.304 117.719 119.070 -0.078 0.000 2.387 815 H HA -0.112 4.444 4.556 -0.000 0.000 0.299 815 H C 2.176 177.457 175.328 -0.079 0.000 1.099 815 H CA 1.649 57.652 56.048 -0.074 0.000 1.315 815 H CB 0.091 29.733 29.762 -0.201 0.000 1.380 815 H HN 0.615 nan 8.280 nan 0.000 0.513 816 Y N 0.737 121.155 120.300 0.196 0.000 2.509 816 Y HA -0.102 4.448 4.550 -0.000 0.000 0.293 816 Y C 1.797 177.776 175.900 0.133 0.000 1.133 816 Y CA 0.667 58.846 58.100 0.133 0.000 1.283 816 Y CB 0.415 38.942 38.460 0.113 0.000 1.001 816 Y HN 0.358 nan 8.280 nan 0.000 0.555 817 Q N -0.650 119.308 119.800 0.265 0.000 2.106 817 Q HA 0.464 4.804 4.340 -0.000 0.000 0.273 817 Q C -0.291 175.888 176.000 0.298 0.000 0.853 817 Q CA -0.378 55.580 55.803 0.259 0.000 1.118 817 Q CB 0.415 29.298 28.738 0.242 0.000 1.240 817 Q HN 0.126 nan 8.270 nan 0.000 0.445 818 A N 1.154 124.160 122.820 0.309 0.000 2.351 818 A HA 0.376 4.695 4.320 -0.000 0.000 0.257 818 A C -0.094 177.753 177.584 0.439 0.000 1.087 818 A CA -0.216 52.050 52.037 0.382 0.000 0.798 818 A CB 0.538 19.762 19.000 0.373 0.000 1.033 818 A HN 0.313 nan 8.150 nan 0.000 0.488 819 E N 0.702 121.099 120.200 0.328 0.000 2.156 819 E HA 0.473 4.823 4.350 -0.000 0.000 0.279 819 E C -0.093 176.487 176.600 -0.033 0.000 0.965 819 E CA -0.232 56.277 56.400 0.181 0.000 0.789 819 E CB 1.769 31.541 29.700 0.120 0.000 1.098 819 E HN 0.725 nan 8.360 nan 0.000 0.397 820 A N 2.342 125.008 122.820 -0.256 0.000 2.371 820 A HA 0.603 4.923 4.320 -0.000 0.000 0.257 820 A C -0.254 177.155 177.584 -0.291 0.000 1.089 820 A CA -0.120 51.463 52.037 -0.757 0.000 0.794 820 A CB 0.570 19.063 19.000 -0.845 0.000 1.029 820 A HN 0.561 nan 8.150 nan 0.000 0.488 821 A N 1.894 124.546 122.820 -0.280 0.000 2.375 821 A HA 0.559 4.879 4.320 -0.000 0.000 0.295 821 A C -0.786 176.710 177.584 -0.146 0.000 1.066 821 A CA -0.551 51.409 52.037 -0.128 0.000 0.722 821 A CB 0.755 19.707 19.000 -0.080 0.000 1.206 821 A HN 1.170 nan 8.150 nan 0.000 0.435 822 L N 3.376 124.495 121.223 -0.174 0.000 2.418 822 L HA 0.285 4.625 4.340 -0.000 0.000 0.274 822 L C 0.568 177.302 176.870 -0.227 0.000 1.135 822 L CA 0.028 54.659 54.840 -0.348 0.000 0.870 822 L CB 0.092 41.961 42.059 -0.317 0.000 1.154 822 L HN 0.804 nan 8.230 nan 0.000 0.462 823 L N 3.653 124.733 121.223 -0.237 0.000 2.357 823 L HA 0.225 4.565 4.340 -0.000 0.000 0.211 823 L C 0.472 177.275 176.870 -0.112 0.000 1.075 823 L CA 0.185 54.953 54.840 -0.120 0.000 0.830 823 L CB 0.084 42.107 42.059 -0.061 0.000 0.996 823 L HN 0.800 nan 8.230 nan 0.000 0.467 824 Q N -0.656 119.045 119.800 -0.166 0.000 2.617 824 Q HA 0.296 4.635 4.340 -0.000 0.000 0.270 824 Q C -1.935 173.999 176.000 -0.111 0.000 0.967 824 Q CA -0.762 54.978 55.803 -0.104 0.000 0.887 824 Q CB 2.283 30.992 28.738 -0.049 0.000 1.516 824 Q HN 0.016 nan 8.270 nan 0.000 0.395 825 C N 2.766 122.042 119.300 -0.041 0.000 2.705 825 C HA 0.893 5.353 4.460 -0.000 0.000 0.369 825 C C -1.098 173.957 174.990 0.107 0.000 1.069 825 C CA 0.759 59.790 59.018 0.023 0.000 1.260 825 C CB 0.844 28.594 27.740 0.017 0.000 1.764 825 C HN 0.906 nan 8.230 nan 0.000 0.469 826 T N 2.789 117.372 114.554 0.048 0.000 2.883 826 T HA 0.891 5.241 4.350 -0.000 0.000 0.301 826 T C -0.593 173.954 174.700 -0.256 0.000 1.158 826 T CA -0.062 62.023 62.100 -0.026 0.000 1.007 826 T CB 1.805 70.651 68.868 -0.037 0.000 1.186 826 T HN 1.987 nan 8.240 nan 0.000 0.499 827 A N 1.655 124.200 122.820 -0.458 0.000 2.401 827 A HA 0.841 5.161 4.320 -0.000 0.000 0.310 827 A C -1.237 176.125 177.584 -0.369 0.000 1.075 827 A CA -0.645 51.012 52.037 -0.633 0.000 0.746 827 A CB 1.450 19.654 19.000 -1.327 0.000 1.277 827 A HN 0.894 nan 8.150 nan 0.000 0.425 828 D N 0.291 120.520 120.400 -0.285 0.000 2.736 828 D HA 0.451 5.091 4.640 -0.000 0.000 0.223 828 D C -1.311 174.903 176.300 -0.143 0.000 1.231 828 D CA -0.011 53.884 54.000 -0.174 0.000 0.818 828 D CB 2.436 43.164 40.800 -0.121 0.000 1.587 828 D HN 0.448 nan 8.370 nan 0.000 0.463 829 T N 1.512 116.007 114.554 -0.098 0.000 2.758 829 T HA 0.513 4.863 4.350 -0.000 0.000 0.285 829 T C 0.121 174.791 174.700 -0.049 0.000 0.981 829 T CA -0.584 61.475 62.100 -0.069 0.000 0.965 829 T CB 1.092 69.934 68.868 -0.043 0.000 0.927 829 T HN 0.057 nan 8.240 nan 0.000 0.448 830 L N 1.673 122.869 121.223 -0.047 0.000 2.376 830 L HA 0.679 5.019 4.340 -0.000 0.000 0.267 830 L C 1.806 178.662 176.870 -0.024 0.000 1.035 830 L CA -0.502 54.317 54.840 -0.034 0.000 0.800 830 L CB 0.113 42.150 42.059 -0.036 0.000 1.290 830 L HN 0.721 nan 8.230 nan 0.000 0.462 831 A N -0.170 122.639 122.820 -0.018 0.000 1.933 831 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 831 A C 0.947 178.523 177.584 -0.012 0.000 1.175 831 A CA 2.037 54.066 52.037 -0.012 0.000 0.628 831 A CB -0.707 18.287 19.000 -0.009 0.000 0.814 831 A HN 0.862 nan 8.150 nan 0.000 0.444 832 D N -2.476 117.913 120.400 -0.017 0.000 2.500 832 D HA 0.564 5.204 4.640 -0.000 0.000 0.217 832 D C 0.235 176.519 176.300 -0.026 0.000 1.159 832 D CA 0.659 54.648 54.000 -0.019 0.000 0.828 832 D CB 0.500 41.290 40.800 -0.018 0.000 1.039 832 D HN 0.512 nan 8.370 nan 0.000 0.512 833 A N -0.411 122.389 122.820 -0.033 0.000 2.511 833 A HA 0.619 4.939 4.320 -0.000 0.000 0.293 833 A C -1.749 175.796 177.584 -0.066 0.000 1.098 833 A CA -0.787 51.219 52.037 -0.051 0.000 0.643 833 A CB 0.764 19.732 19.000 -0.054 0.000 1.302 833 A HN -0.015 nan 8.150 nan 0.000 0.446 834 V N 0.309 120.165 119.914 -0.097 0.000 2.547 834 V HA 0.691 4.810 4.120 -0.000 0.000 0.299 834 V C -0.874 175.135 176.094 -0.142 0.000 1.040 834 V CA -0.477 61.747 62.300 -0.127 0.000 0.913 834 V CB 1.358 33.091 31.823 -0.150 0.000 0.992 834 V HN 0.826 nan 8.190 nan 0.000 0.449 835 L N 5.775 126.904 121.223 -0.156 0.000 2.376 835 L HA 0.656 4.995 4.340 -0.000 0.000 0.275 835 L C -0.914 175.836 176.870 -0.201 0.000 0.987 835 L CA -0.068 54.688 54.840 -0.139 0.000 0.828 835 L CB 1.415 43.417 42.059 -0.096 0.000 1.249 835 L HN 0.405 nan 8.230 nan 0.000 0.409 836 I N 3.683 124.146 120.570 -0.179 0.000 2.441 836 I HA 0.531 4.701 4.170 -0.000 0.000 0.295 836 I C -0.046 176.060 176.117 -0.019 0.000 0.994 836 I CA -0.381 60.774 61.300 -0.242 0.000 1.144 836 I CB 1.724 39.366 38.000 -0.597 0.000 1.314 836 I HN 0.525 nan 8.210 nan 0.000 0.445 837 T N 4.516 119.045 114.554 -0.041 0.000 2.879 837 T HA 0.631 4.980 4.350 -0.000 0.000 0.290 837 T C -0.003 174.737 174.700 0.067 0.000 0.993 837 T CA -0.533 61.593 62.100 0.042 0.000 0.975 837 T CB 1.757 70.624 68.868 -0.002 0.000 0.981 837 T HN 0.806 nan 8.240 nan 0.000 0.439 838 T N -0.220 114.417 114.554 0.139 0.000 2.901 838 T HA 0.911 5.261 4.350 -0.000 0.000 0.293 838 T C -1.137 173.630 174.700 0.112 0.000 1.084 838 T CA -1.109 61.056 62.100 0.109 0.000 1.008 838 T CB 2.099 71.118 68.868 0.251 0.000 1.170 838 T HN 0.790 nan 8.240 nan 0.000 0.509 839 A N 1.432 124.242 122.820 -0.016 0.000 2.465 839 A HA 0.713 5.033 4.320 -0.000 0.000 0.292 839 A C -1.492 176.029 177.584 -0.105 0.000 1.041 839 A CA -0.790 51.286 52.037 0.065 0.000 0.718 839 A CB 0.723 19.749 19.000 0.042 0.000 1.266 839 A HN 0.985 nan 8.150 nan 0.000 0.403 840 H N 0.259 119.393 119.070 0.107 0.000 2.797 840 H HA 0.850 5.406 4.556 -0.000 0.000 0.372 840 H C 0.029 175.411 175.328 0.090 0.000 1.168 840 H CA 0.156 56.190 56.048 -0.024 0.000 1.163 840 H CB 2.107 31.728 29.762 -0.234 0.000 1.778 840 H HN 1.015 nan 8.280 nan 0.000 0.551 841 A N 1.335 124.200 122.820 0.076 0.000 2.371 841 A HA 0.468 4.788 4.320 -0.000 0.000 0.311 841 A C -1.413 176.240 177.584 0.115 0.000 1.068 841 A CA -0.722 51.437 52.037 0.202 0.000 0.744 841 A CB 1.208 20.280 19.000 0.119 0.000 1.239 841 A HN 0.582 nan 8.150 nan 0.000 0.435 842 W N 2.220 123.611 121.300 0.151 0.000 2.429 842 W HA 0.420 5.080 4.660 -0.000 0.000 0.314 842 W C -0.316 176.189 176.519 -0.023 0.000 1.062 842 W CA -0.298 57.117 57.345 0.117 0.000 1.211 842 W CB 1.696 31.268 29.460 0.187 0.000 1.305 842 W HN 0.773 nan 8.180 nan 0.000 0.476 843 Q N 1.856 121.784 119.800 0.214 0.000 2.496 843 Q HA 0.479 4.819 4.340 -0.000 0.000 0.286 843 Q C -1.027 175.099 176.000 0.210 0.000 1.103 843 Q CA -0.971 54.913 55.803 0.135 0.000 0.813 843 Q CB 3.500 32.285 28.738 0.079 0.000 1.444 843 Q HN 0.447 nan 8.270 nan 0.000 0.443 844 H N 0.801 119.894 119.070 0.039 0.000 3.240 844 H HA 0.052 4.607 4.556 -0.000 0.000 0.329 844 H C -0.968 174.385 175.328 0.042 0.000 1.024 844 H CA 0.029 56.111 56.048 0.056 0.000 1.487 844 H CB 0.959 30.762 29.762 0.068 0.000 1.909 844 H HN 0.864 nan 8.280 nan 0.000 0.465 845 Q N 3.217 122.802 119.800 -0.358 0.000 2.453 845 Q HA -0.236 4.104 4.340 -0.000 0.000 0.294 845 Q C 0.945 176.900 176.000 -0.074 0.000 1.295 845 Q CA 1.136 56.795 55.803 -0.241 0.000 0.853 845 Q CB -1.464 27.095 28.738 -0.298 0.000 1.193 845 Q HN 1.171 nan 8.270 nan 0.000 0.461 846 G N -0.190 108.588 108.800 -0.037 0.000 2.205 846 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.261 846 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.261 846 G C 0.069 174.977 174.900 0.014 0.000 0.980 846 G CA 0.676 45.773 45.100 -0.006 0.000 0.632 846 G HN 0.378 nan 8.290 nan 0.000 0.533 847 K N 1.226 121.644 120.400 0.030 0.000 2.156 847 K HA 0.620 4.939 4.320 -0.000 0.000 0.271 847 K C -0.132 176.480 176.600 0.021 0.000 0.995 847 K CA -0.122 56.184 56.287 0.032 0.000 0.890 847 K CB 0.860 33.386 32.500 0.044 0.000 1.073 847 K HN 0.011 nan 8.250 nan 0.000 0.454 848 T N 5.735 120.290 114.554 0.002 0.000 2.728 848 T HA 0.231 4.581 4.350 -0.000 0.000 0.296 848 T C 1.095 175.729 174.700 -0.110 0.000 0.940 848 T CA -0.565 61.528 62.100 -0.012 0.000 1.013 848 T CB 0.537 69.421 68.868 0.026 0.000 0.912 848 T HN 0.529 nan 8.240 nan 0.000 0.484 849 L N 1.995 123.035 121.223 -0.304 0.000 2.168 849 L HA 0.354 4.694 4.340 -0.000 0.000 0.203 849 L C -0.070 176.312 176.870 -0.814 0.000 1.078 849 L CA 0.863 55.252 54.840 -0.752 0.000 0.780 849 L CB -0.037 41.103 42.059 -1.531 0.000 0.939 849 L HN 0.527 nan 8.230 nan 0.000 0.451 850 F N -1.084 118.817 119.950 -0.082 0.000 2.626 850 F HA 0.593 5.120 4.527 -0.000 0.000 0.311 850 F C -0.518 175.378 175.800 0.159 0.000 1.088 850 F CA -0.865 57.053 58.000 -0.137 0.000 0.949 850 F CB 1.983 40.566 39.000 -0.694 0.000 1.322 850 F HN -0.326 nan 8.300 nan 0.000 0.461 851 I N 1.422 122.228 120.570 0.394 0.000 2.466 851 I HA 0.404 4.574 4.170 -0.000 0.000 0.289 851 I C -0.888 175.493 176.117 0.440 0.000 1.026 851 I CA -0.573 60.980 61.300 0.421 0.000 1.078 851 I CB 2.227 40.390 38.000 0.271 0.000 1.249 851 I HN 0.569 nan 8.210 nan 0.000 0.429 852 S N 6.716 122.772 115.700 0.594 0.000 2.552 852 S HA 0.605 5.075 4.470 -0.000 0.000 0.314 852 S C -0.768 174.084 174.600 0.420 0.000 1.099 852 S CA -0.670 57.849 58.200 0.532 0.000 1.070 852 S CB 0.789 64.420 63.200 0.719 0.000 0.998 852 S HN 0.583 nan 8.310 nan 0.000 0.474 853 R N 3.435 124.105 120.500 0.282 0.000 2.480 853 R HA 0.556 4.896 4.340 -0.000 0.000 0.306 853 R C -0.756 175.623 176.300 0.130 0.000 0.958 853 R CA -0.776 55.447 56.100 0.206 0.000 0.861 853 R CB 1.930 32.324 30.300 0.157 0.000 1.171 853 R HN 0.550 nan 8.270 nan 0.000 0.445 854 K N 0.671 121.144 120.400 0.122 0.000 2.433 854 K HA 0.558 4.878 4.320 -0.000 0.000 0.252 854 K C -0.729 175.857 176.600 -0.024 0.000 1.015 854 K CA -0.970 55.307 56.287 -0.016 0.000 0.860 854 K CB 2.446 34.889 32.500 -0.095 0.000 1.359 854 K HN 0.623 nan 8.250 nan 0.000 0.452 855 T N -1.415 113.036 114.554 -0.171 0.000 2.952 855 T HA 0.534 4.884 4.350 -0.000 0.000 0.305 855 T C -1.455 173.119 174.700 -0.210 0.000 1.064 855 T CA -0.786 61.264 62.100 -0.082 0.000 1.008 855 T CB 0.431 69.282 68.868 -0.028 0.000 1.078 855 T HN 0.408 nan 8.240 nan 0.000 0.459 856 Y N 1.246 121.527 120.300 -0.032 0.000 2.350 856 Y HA 0.704 5.254 4.550 -0.000 0.000 0.338 856 Y C 0.392 176.239 175.900 -0.088 0.000 0.961 856 Y CA -1.100 56.988 58.100 -0.019 0.000 1.100 856 Y CB 2.015 40.480 38.460 0.009 0.000 1.179 856 Y HN 0.807 nan 8.280 nan 0.000 0.454 857 R N 4.905 125.453 120.500 0.079 0.000 2.483 857 R HA 0.633 4.973 4.340 -0.000 0.000 0.303 857 R C -2.000 174.261 176.300 -0.065 0.000 0.987 857 R CA -0.382 55.710 56.100 -0.013 0.000 0.881 857 R CB 0.836 31.128 30.300 -0.013 0.000 1.177 857 R HN 0.820 nan 8.270 nan 0.000 0.451 858 I N 4.588 125.065 120.570 -0.154 0.000 2.362 858 I HA 0.267 4.437 4.170 -0.000 0.000 0.289 858 I C -0.384 175.633 176.117 -0.167 0.000 0.994 858 I CA -0.945 60.202 61.300 -0.254 0.000 1.158 858 I CB 1.612 39.297 38.000 -0.526 0.000 1.315 858 I HN 0.709 nan 8.210 nan 0.000 0.451 859 D N 4.027 124.359 120.400 -0.113 0.000 2.506 859 D HA 0.296 4.936 4.640 -0.000 0.000 0.254 859 D C 1.232 177.513 176.300 -0.032 0.000 1.089 859 D CA -0.692 53.272 54.000 -0.059 0.000 1.050 859 D CB 0.959 41.740 40.800 -0.032 0.000 1.221 859 D HN 0.501 nan 8.370 nan 0.000 0.589 860 G N -1.219 107.570 108.800 -0.019 0.000 2.498 860 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.219 860 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.219 860 G C 1.172 176.076 174.900 0.008 0.000 1.119 860 G CA 1.080 46.178 45.100 -0.004 0.000 0.766 860 G HN 0.557 nan 8.290 nan 0.000 0.552 861 S N -0.862 114.842 115.700 0.007 0.000 2.593 861 S HA 0.371 4.840 4.470 -0.000 0.000 0.217 861 S C 1.700 176.339 174.600 0.066 0.000 0.966 861 S CA 0.892 59.106 58.200 0.024 0.000 0.914 861 S CB -0.007 63.202 63.200 0.016 0.000 0.776 861 S HN 1.471 nan 8.310 nan 0.000 0.523 862 G N 0.855 109.707 108.800 0.087 0.000 2.160 862 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.244 862 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.244 862 G C -0.356 174.647 174.900 0.171 0.000 1.022 862 G CA -0.003 45.212 45.100 0.192 0.000 0.741 862 G HN 0.623 nan 8.290 nan 0.000 0.508 863 Q N -0.785 119.058 119.800 0.072 0.000 2.274 863 Q HA 0.683 5.023 4.340 -0.000 0.000 0.260 863 Q C 0.060 176.071 176.000 0.019 0.000 0.974 863 Q CA -0.606 55.246 55.803 0.082 0.000 0.876 863 Q CB 1.995 30.782 28.738 0.081 0.000 1.297 863 Q HN 0.392 nan 8.270 nan 0.000 0.446 864 M N 2.017 121.665 119.600 0.081 0.000 2.114 864 M HA 0.566 5.046 4.480 -0.000 0.000 0.332 864 M C -1.515 174.885 176.300 0.167 0.000 1.014 864 M CA -0.513 54.825 55.300 0.064 0.000 0.956 864 M CB 1.106 33.740 32.600 0.056 0.000 1.551 864 M HN 0.756 nan 8.290 nan 0.000 0.427 865 A N 6.972 129.859 122.820 0.111 0.000 2.288 865 A HA 0.772 5.092 4.320 -0.000 0.000 0.320 865 A C -0.892 176.731 177.584 0.066 0.000 1.217 865 A CA -0.695 51.405 52.037 0.106 0.000 0.840 865 A CB 0.552 19.594 19.000 0.070 0.000 1.179 865 A HN 0.908 nan 8.150 nan 0.000 0.504 866 I N 1.454 122.046 120.570 0.037 0.000 2.474 866 I HA 0.462 4.632 4.170 -0.000 0.000 0.294 866 I C -0.178 175.834 176.117 -0.174 0.000 1.005 866 I CA -0.383 60.846 61.300 -0.119 0.000 1.113 866 I CB 2.380 40.326 38.000 -0.090 0.000 1.289 866 I HN 0.491 nan 8.210 nan 0.000 0.436 867 T N 5.030 119.427 114.554 -0.262 0.000 2.841 867 T HA 0.549 4.899 4.350 -0.000 0.000 0.285 867 T C -0.612 173.883 174.700 -0.341 0.000 0.991 867 T CA -0.383 61.564 62.100 -0.256 0.000 0.966 867 T CB 1.864 70.674 68.868 -0.096 0.000 0.962 867 T HN 0.251 nan 8.240 nan 0.000 0.438 868 V N 3.967 123.551 119.914 -0.550 0.000 2.540 868 V HA 0.593 4.712 4.120 -0.000 0.000 0.302 868 V C -0.782 175.142 176.094 -0.283 0.000 1.035 868 V CA -0.913 61.089 62.300 -0.497 0.000 0.873 868 V CB 2.112 33.382 31.823 -0.922 0.000 0.992 868 V HN 0.833 nan 8.190 nan 0.000 0.428 869 D N 3.065 123.467 120.400 0.004 0.000 2.686 869 D HA 0.512 5.152 4.640 -0.000 0.000 0.249 869 D C -1.122 175.308 176.300 0.216 0.000 1.260 869 D CA -0.120 53.984 54.000 0.173 0.000 0.910 869 D CB 2.787 43.719 40.800 0.221 0.000 1.323 869 D HN 0.275 nan 8.370 nan 0.000 0.561 870 V N 1.889 121.968 119.914 0.275 0.000 2.628 870 V HA 0.368 4.488 4.120 -0.000 0.000 0.306 870 V C 0.050 176.292 176.094 0.248 0.000 1.045 870 V CA -0.704 61.766 62.300 0.283 0.000 0.905 870 V CB 2.530 34.545 31.823 0.320 0.000 0.997 870 V HN 0.384 nan 8.190 nan 0.000 0.436 871 E N 1.928 122.262 120.200 0.222 0.000 2.187 871 E HA 0.678 5.027 4.350 -0.000 0.000 0.268 871 E C -1.592 175.134 176.600 0.209 0.000 0.896 871 E CA -0.488 56.023 56.400 0.185 0.000 0.766 871 E CB 2.386 32.180 29.700 0.157 0.000 1.142 871 E HN 0.471 nan 8.360 nan 0.000 0.408 872 V N 2.287 122.324 119.914 0.204 0.000 2.487 872 V HA 0.454 4.574 4.120 -0.000 0.000 0.298 872 V C -0.062 176.133 176.094 0.167 0.000 1.028 872 V CA -1.009 61.435 62.300 0.241 0.000 0.860 872 V CB 1.602 33.590 31.823 0.274 0.000 0.991 872 V HN 0.845 nan 8.190 nan 0.000 0.427 873 A N 3.223 126.112 122.820 0.114 0.000 2.548 873 A HA 0.295 4.614 4.320 -0.000 0.000 0.247 873 A C 1.676 179.338 177.584 0.129 0.000 1.067 873 A CA 0.639 52.725 52.037 0.083 0.000 0.757 873 A CB 0.249 19.265 19.000 0.026 0.000 0.996 873 A HN 1.398 nan 8.150 nan 0.000 0.504 874 S N 1.627 117.396 115.700 0.114 0.000 2.400 874 S HA -0.189 4.281 4.470 -0.000 0.000 0.232 874 S C 0.985 175.671 174.600 0.142 0.000 1.025 874 S CA 1.599 59.881 58.200 0.135 0.000 0.993 874 S CB -0.343 62.913 63.200 0.093 0.000 0.808 874 S HN 0.825 nan 8.310 nan 0.000 0.478 875 D N 0.278 120.739 120.400 0.101 0.000 2.325 875 D HA 0.152 4.792 4.640 -0.000 0.000 0.225 875 D C 0.508 176.858 176.300 0.084 0.000 1.096 875 D CA 0.018 54.065 54.000 0.078 0.000 0.844 875 D CB -0.331 40.498 40.800 0.049 0.000 0.925 875 D HN 0.332 nan 8.370 nan 0.000 0.513 876 T N 0.755 115.389 114.554 0.133 0.000 2.943 876 T HA 0.449 4.799 4.350 -0.000 0.000 0.284 876 T C -2.673 172.161 174.700 0.223 0.000 1.015 876 T CA -2.026 60.180 62.100 0.176 0.000 1.042 876 T CB 1.393 70.380 68.868 0.198 0.000 1.055 876 T HN -0.192 nan 8.240 nan 0.000 0.500 877 P HA 0.192 nan 4.420 nan 0.000 0.271 877 P C -0.639 176.971 177.300 0.518 0.000 1.216 877 P CA -0.234 62.975 63.100 0.183 0.000 0.776 877 P CB 0.149 31.937 31.700 0.146 0.000 0.881 878 H N 2.940 122.354 119.070 0.574 0.000 2.964 878 H HA 0.092 4.648 4.556 -0.000 0.000 0.328 878 H C -1.871 173.804 175.328 0.578 0.000 1.030 878 H CA -1.736 54.599 56.048 0.478 0.000 1.445 878 H CB -0.951 29.028 29.762 0.361 0.000 1.449 878 H HN 0.311 nan 8.280 nan 0.000 0.581 879 P HA 0.090 nan 4.420 nan 0.000 0.274 879 P C 0.386 177.608 177.300 -0.130 0.000 1.231 879 P CA -0.336 62.835 63.100 0.118 0.000 0.790 879 P CB 0.840 32.472 31.700 -0.112 0.000 0.951 880 A N 3.086 125.596 122.820 -0.517 0.000 1.969 880 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 880 A C 1.068 178.282 177.584 -0.618 0.000 1.169 880 A CA 1.469 53.150 52.037 -0.592 0.000 0.635 880 A CB -0.558 17.897 19.000 -0.908 0.000 0.810 880 A HN 0.765 nan 8.150 nan 0.000 0.445 881 R N -2.937 117.237 120.500 -0.543 0.000 2.741 881 R HA 0.704 5.044 4.340 -0.000 0.000 0.274 881 R C -1.888 174.174 176.300 -0.397 0.000 1.029 881 R CA -0.819 54.973 56.100 -0.513 0.000 0.880 881 R CB 0.584 30.516 30.300 -0.614 0.000 1.264 881 R HN 0.026 nan 8.270 nan 0.000 0.465 882 I N 1.058 121.427 120.570 -0.334 0.000 2.540 882 I HA 0.639 4.809 4.170 -0.000 0.000 0.280 882 I C -0.474 175.415 176.117 -0.380 0.000 1.083 882 I CA -0.427 60.684 61.300 -0.316 0.000 1.080 882 I CB 1.789 39.678 38.000 -0.186 0.000 1.205 882 I HN 1.008 nan 8.210 nan 0.000 0.459 883 G N 5.770 114.303 108.800 -0.445 0.000 2.578 883 G HA2 0.733 4.693 3.960 -0.000 0.000 0.302 883 G HA3 0.733 4.693 3.960 -0.000 0.000 0.302 883 G C -1.764 172.963 174.900 -0.288 0.000 1.243 883 G CA -0.534 44.355 45.100 -0.351 0.000 0.843 883 G HN 0.294 nan 8.290 nan 0.000 0.486 884 L N 0.549 121.651 121.223 -0.201 0.000 2.303 884 L HA 0.707 5.047 4.340 -0.000 0.000 0.256 884 L C -0.707 176.060 176.870 -0.171 0.000 1.034 884 L CA -1.123 53.618 54.840 -0.166 0.000 0.832 884 L CB 2.604 44.632 42.059 -0.053 0.000 1.403 884 L HN 0.868 nan 8.230 nan 0.000 0.419 885 N N 0.097 118.725 118.700 -0.120 0.000 2.823 885 N HA 0.671 5.410 4.740 -0.000 0.000 0.251 885 N C -1.342 174.181 175.510 0.022 0.000 1.392 885 N CA -0.535 52.480 53.050 -0.058 0.000 0.864 885 N CB 2.158 40.622 38.487 -0.037 0.000 1.481 885 N HN 0.898 nan 8.380 nan 0.000 0.508 886 C N -1.634 117.721 119.300 0.092 0.000 3.253 886 C HA 0.579 5.039 4.460 -0.000 0.000 0.342 886 C C -1.381 173.536 174.990 -0.123 0.000 1.306 886 C CA -0.832 58.214 59.018 0.047 0.000 1.207 886 C CB 0.939 28.687 27.740 0.013 0.000 1.479 886 C HN 0.882 nan 8.230 nan 0.000 0.469 887 Q N 1.310 120.821 119.800 -0.482 0.000 2.347 887 Q HA 0.685 5.024 4.340 -0.000 0.000 0.262 887 Q C -1.045 174.677 176.000 -0.463 0.000 0.980 887 Q CA -0.443 54.804 55.803 -0.927 0.000 0.867 887 Q CB 0.902 28.712 28.738 -1.546 0.000 1.242 887 Q HN 0.747 nan 8.270 nan 0.000 0.453 888 L N 2.610 123.640 121.223 -0.322 0.000 2.375 888 L HA 0.355 4.695 4.340 -0.000 0.000 0.271 888 L C 1.184 177.961 176.870 -0.155 0.000 1.107 888 L CA -0.342 54.413 54.840 -0.142 0.000 0.806 888 L CB 0.972 43.043 42.059 0.020 0.000 1.146 888 L HN 0.807 nan 8.230 nan 0.000 0.447 889 A N 2.115 124.868 122.820 -0.111 0.000 1.930 889 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 889 A C 1.164 178.712 177.584 -0.059 0.000 1.175 889 A CA 0.878 52.851 52.037 -0.107 0.000 0.627 889 A CB -0.318 18.619 19.000 -0.106 0.000 0.815 889 A HN 0.818 nan 8.150 nan 0.000 0.443 890 Q N -0.528 119.268 119.800 -0.008 0.000 2.368 890 Q HA 0.463 4.803 4.340 -0.000 0.000 0.237 890 Q C -1.141 174.877 176.000 0.030 0.000 0.987 890 Q CA 0.097 55.898 55.803 -0.004 0.000 0.896 890 Q CB 0.966 29.711 28.738 0.013 0.000 1.241 890 Q HN 0.151 nan 8.270 nan 0.000 0.485 891 V N 2.311 122.209 119.914 -0.027 0.000 2.612 891 V HA 0.790 4.909 4.120 -0.000 0.000 0.301 891 V C -0.834 175.209 176.094 -0.084 0.000 1.059 891 V CA -0.144 62.172 62.300 0.026 0.000 0.886 891 V CB 1.153 32.988 31.823 0.021 0.000 1.007 891 V HN 0.951 nan 8.190 nan 0.000 0.426 892 A N 3.237 125.970 122.820 -0.144 0.000 2.389 892 A HA 0.886 5.206 4.320 -0.000 0.000 0.293 892 A C 0.526 178.144 177.584 0.055 0.000 1.186 892 A CA -0.338 51.588 52.037 -0.185 0.000 0.828 892 A CB 1.643 20.328 19.000 -0.524 0.000 1.369 892 A HN 0.735 nan 8.150 nan 0.000 0.446 893 E N -0.234 119.989 120.200 0.038 0.000 2.060 893 E HA 0.071 4.421 4.350 -0.000 0.000 0.189 893 E C 0.614 177.299 176.600 0.142 0.000 0.974 893 E CA 0.990 57.440 56.400 0.083 0.000 0.808 893 E CB 0.142 29.869 29.700 0.045 0.000 0.768 893 E HN 0.538 nan 8.360 nan 0.000 0.453 894 R N -0.532 120.060 120.500 0.154 0.000 2.856 894 R HA 0.610 4.950 4.340 -0.000 0.000 0.258 894 R C -1.041 175.446 176.300 0.312 0.000 1.066 894 R CA -0.900 55.319 56.100 0.198 0.000 1.045 894 R CB 2.070 32.455 30.300 0.142 0.000 1.178 894 R HN -0.142 nan 8.270 nan 0.000 0.499 895 V N 1.444 121.548 119.914 0.317 0.000 2.623 895 V HA 0.325 4.445 4.120 -0.000 0.000 0.304 895 V C -0.710 175.655 176.094 0.452 0.000 1.054 895 V CA -0.968 61.562 62.300 0.382 0.000 0.882 895 V CB 1.920 33.928 31.823 0.307 0.000 1.002 895 V HN 0.741 nan 8.190 nan 0.000 0.424 896 N N 3.965 122.922 118.700 0.428 0.000 2.295 896 N HA 0.570 5.310 4.740 -0.000 0.000 0.293 896 N C -1.454 174.334 175.510 0.463 0.000 1.040 896 N CA -0.396 52.879 53.050 0.374 0.000 0.840 896 N CB 3.025 41.622 38.487 0.182 0.000 1.468 896 N HN 0.832 nan 8.380 nan 0.000 0.478 897 W N 3.009 124.372 121.300 0.104 0.000 3.074 897 W HA 0.612 5.272 4.660 -0.000 0.000 0.332 897 W C -2.165 174.363 176.519 0.016 0.000 1.253 897 W CA -1.066 56.326 57.345 0.079 0.000 1.180 897 W CB 0.726 30.266 29.460 0.133 0.000 1.445 897 W HN 0.247 nan 8.180 nan 0.000 0.573 898 L N 3.766 125.014 121.223 0.043 0.000 2.324 898 L HA 0.910 5.249 4.340 -0.000 0.000 0.274 898 L C -0.050 176.796 176.870 -0.040 0.000 1.012 898 L CA 0.376 55.076 54.840 -0.233 0.000 0.859 898 L CB 0.772 42.741 42.059 -0.149 0.000 1.224 898 L HN 1.026 nan 8.230 nan 0.000 0.429 899 G N 3.662 112.357 108.800 -0.175 0.000 2.393 899 G HA2 0.220 4.180 3.960 -0.000 0.000 0.264 899 G HA3 0.220 4.180 3.960 -0.000 0.000 0.264 899 G C -1.632 173.432 174.900 0.274 0.000 1.221 899 G CA -0.995 44.219 45.100 0.189 0.000 0.912 899 G HN 0.375 nan 8.290 nan 0.000 0.483 900 L N 1.266 122.723 121.223 0.389 0.000 2.331 900 L HA 0.624 4.964 4.340 -0.000 0.000 0.278 900 L C 0.965 177.888 176.870 0.089 0.000 1.106 900 L CA 0.452 55.434 54.840 0.238 0.000 0.824 900 L CB 0.669 42.796 42.059 0.114 0.000 1.142 900 L HN 1.038 nan 8.230 nan 0.000 0.443 901 G N 3.156 111.731 108.800 -0.374 0.000 2.554 901 G HA2 0.400 4.360 3.960 -0.000 0.000 0.306 901 G HA3 0.400 4.360 3.960 -0.000 0.000 0.306 901 G C -2.768 171.277 174.900 -1.426 0.000 1.320 901 G CA -0.304 44.157 45.100 -1.065 0.000 0.800 901 G HN 0.320 nan 8.290 nan 0.000 0.481 902 P HA 0.148 nan 4.420 nan 0.000 0.259 902 P C 0.402 177.485 177.300 -0.361 0.000 1.233 902 P CA 0.311 62.791 63.100 -1.033 0.000 0.827 902 P CB 0.782 32.044 31.700 -0.731 0.000 1.154 903 Q N 0.622 120.221 119.800 -0.335 0.000 2.318 903 Q HA 0.142 4.482 4.340 -0.000 0.000 0.222 903 Q C 0.380 176.257 176.000 -0.206 0.000 1.003 903 Q CA -0.552 55.129 55.803 -0.204 0.000 0.936 903 Q CB 0.696 29.343 28.738 -0.151 0.000 1.204 903 Q HN 0.108 nan 8.270 nan 0.000 0.524 904 E N 1.322 121.416 120.200 -0.178 0.000 2.608 904 E HA -0.128 4.222 4.350 -0.000 0.000 0.259 904 E C -1.179 175.340 176.600 -0.135 0.000 0.951 904 E CA 0.294 56.583 56.400 -0.185 0.000 0.945 904 E CB 0.210 29.872 29.700 -0.063 0.000 0.916 904 E HN 0.568 nan 8.360 nan 0.000 0.477 905 N N 2.806 121.346 118.700 -0.266 0.000 2.308 905 N HA 0.318 5.058 4.740 -0.000 0.000 0.283 905 N C -1.881 173.389 175.510 -0.400 0.000 1.105 905 N CA -0.685 52.258 53.050 -0.178 0.000 0.840 905 N CB 0.723 39.119 38.487 -0.150 0.000 1.633 905 N HN 0.237 nan 8.380 nan 0.000 0.476 906 Y N 0.075 120.284 120.300 -0.153 0.000 2.598 906 Y HA 0.513 5.063 4.550 -0.000 0.000 0.340 906 Y C -1.610 174.221 175.900 -0.116 0.000 1.038 906 Y CA -2.077 55.923 58.100 -0.168 0.000 1.100 906 Y CB 1.722 40.078 38.460 -0.174 0.000 1.281 906 Y HN 0.435 nan 8.280 nan 0.000 0.488 907 P HA -0.188 nan 4.420 nan 0.000 0.216 907 P C 0.414 177.664 177.300 -0.082 0.000 1.154 907 P CA 2.153 65.296 63.100 0.072 0.000 0.865 907 P CB 0.189 32.012 31.700 0.205 0.000 0.789 908 D N -2.150 118.015 120.400 -0.390 0.000 2.358 908 D HA 0.015 4.655 4.640 -0.000 0.000 0.224 908 D C 0.568 176.734 176.300 -0.223 0.000 1.123 908 D CA -0.016 53.550 54.000 -0.724 0.000 0.833 908 D CB -0.227 39.774 40.800 -1.331 0.000 0.946 908 D HN 0.128 nan 8.370 nan 0.000 0.505 909 R N 1.010 121.474 120.500 -0.059 0.000 2.837 909 R HA 0.209 4.549 4.340 -0.000 0.000 0.245 909 R C -0.807 175.527 176.300 0.056 0.000 1.712 909 R CA -0.209 55.909 56.100 0.030 0.000 1.539 909 R CB 0.077 30.396 30.300 0.032 0.000 1.490 909 R HN 0.111 nan 8.270 nan 0.000 0.667 910 L N -1.049 120.216 121.223 0.070 0.000 3.635 910 L HA 0.303 4.643 4.340 -0.000 0.000 0.338 910 L C 1.176 178.106 176.870 0.101 0.000 1.275 910 L CA 0.060 54.938 54.840 0.063 0.000 1.092 910 L CB 0.184 42.263 42.059 0.034 0.000 1.465 910 L HN 0.141 nan 8.230 nan 0.000 0.625 911 T N -2.573 112.069 114.554 0.146 0.000 2.915 911 T HA 0.058 4.408 4.350 -0.000 0.000 0.269 911 T C 1.698 176.492 174.700 0.157 0.000 1.071 911 T CA 1.277 63.492 62.100 0.191 0.000 1.132 911 T CB -0.194 68.825 68.868 0.252 0.000 0.878 911 T HN 0.403 nan 8.240 nan 0.000 0.479 912 A N 1.281 124.196 122.820 0.159 0.000 2.119 912 A HA 0.681 5.001 4.320 -0.000 0.000 0.216 912 A C 1.658 179.338 177.584 0.160 0.000 1.152 912 A CA 0.496 52.588 52.037 0.091 0.000 0.708 912 A CB -0.878 18.290 19.000 0.280 0.000 0.805 912 A HN 0.821 nan 8.150 nan 0.000 0.460 916 D N 3.073 122.864 120.400 -1.015 0.000 3.145 916 D HA 0.310 4.950 4.640 -0.000 0.000 0.345 916 D C -1.539 173.835 176.300 -1.543 0.000 1.391 916 D CA -0.753 52.466 54.000 -1.302 0.000 0.930 916 D CB 2.274 42.256 40.800 -1.365 0.000 1.451 916 D HN 0.622 nan 8.370 nan 0.000 0.555 917 R N 0.563 120.198 120.500 -1.442 0.000 2.255 917 R HA 0.466 4.806 4.340 -0.000 0.000 0.326 917 R C -1.373 174.096 176.300 -1.385 0.000 0.986 917 R CA -0.433 54.974 56.100 -1.155 0.000 0.847 917 R CB 0.577 30.480 30.300 -0.662 0.000 1.111 917 R HN 0.233 nan 8.270 nan 0.000 0.452 918 W N 2.620 123.357 121.300 -0.939 0.000 2.689 918 W HA 0.425 5.085 4.660 -0.000 0.000 0.340 918 W C -0.515 175.619 176.519 -0.642 0.000 1.060 918 W CA -0.665 56.086 57.345 -0.990 0.000 1.218 918 W CB 1.546 29.928 29.460 -1.796 0.000 1.410 918 W HN 0.313 nan 8.180 nan 0.000 0.528 919 D N 2.612 122.961 120.400 -0.086 0.000 2.736 919 D HA 0.522 5.162 4.640 -0.000 0.000 0.243 919 D C -1.285 175.111 176.300 0.160 0.000 1.304 919 D CA -0.129 53.919 54.000 0.080 0.000 0.934 919 D CB 1.216 42.029 40.800 0.021 0.000 1.382 919 D HN 0.401 nan 8.370 nan 0.000 0.571 920 L N 2.530 123.916 121.223 0.272 0.000 2.397 920 L HA 0.569 4.909 4.340 -0.000 0.000 0.251 920 L C -2.522 174.472 176.870 0.206 0.000 1.064 920 L CA -2.175 52.801 54.840 0.227 0.000 0.859 920 L CB 2.683 44.908 42.059 0.277 0.000 1.468 920 L HN 0.149 nan 8.230 nan 0.000 0.411 921 P HA 0.143 nan 4.420 nan 0.000 0.284 921 P C 0.491 177.875 177.300 0.140 0.000 1.253 921 P CA -0.475 62.706 63.100 0.135 0.000 0.800 921 P CB 1.204 32.963 31.700 0.098 0.000 0.961 922 L N 3.685 124.996 121.223 0.148 0.000 2.064 922 L HA -0.310 4.030 4.340 -0.000 0.000 0.216 922 L C 2.223 179.152 176.870 0.098 0.000 1.077 922 L CA 2.824 57.739 54.840 0.126 0.000 0.766 922 L CB -1.515 40.632 42.059 0.146 0.000 0.890 922 L HN 0.455 nan 8.230 nan 0.000 0.435 923 S N -1.526 114.232 115.700 0.097 0.000 2.374 923 S HA -0.224 4.246 4.470 -0.000 0.000 0.227 923 S C 1.652 176.329 174.600 0.127 0.000 1.037 923 S CA 1.346 59.612 58.200 0.110 0.000 1.024 923 S CB -0.925 62.329 63.200 0.090 0.000 0.861 923 S HN 0.542 nan 8.310 nan 0.000 0.456 924 D N 1.262 121.718 120.400 0.093 0.000 2.350 924 D HA 0.061 4.701 4.640 -0.000 0.000 0.216 924 D C 1.244 177.566 176.300 0.037 0.000 0.968 924 D CA 0.632 54.670 54.000 0.063 0.000 0.894 924 D CB -0.230 40.610 40.800 0.066 0.000 0.909 924 D HN 0.390 nan 8.370 nan 0.000 0.520 925 M N -0.375 119.258 119.600 0.055 0.000 2.568 925 M HA 0.065 4.545 4.480 -0.000 0.000 0.226 925 M C -0.115 176.215 176.300 0.049 0.000 1.148 925 M CA 0.026 55.320 55.300 -0.010 0.000 1.007 925 M CB -0.982 31.603 32.600 -0.025 0.000 1.651 925 M HN -0.023 nan 8.290 nan 0.000 0.488 926 Y N -0.441 119.825 120.300 -0.056 0.000 2.425 926 Y HA 0.476 5.026 4.550 -0.000 0.000 0.344 926 Y C -0.855 174.985 175.900 -0.100 0.000 0.969 926 Y CA -0.849 57.225 58.100 -0.044 0.000 1.052 926 Y CB 1.443 39.931 38.460 0.047 0.000 1.215 926 Y HN -0.111 nan 8.280 nan 0.000 0.451 927 T N 8.754 122.803 114.554 -0.842 0.000 2.801 927 T HA 0.273 4.623 4.350 -0.000 0.000 0.306 927 T C -2.651 171.225 174.700 -1.374 0.000 1.020 927 T CA -1.512 59.995 62.100 -0.989 0.000 0.948 927 T CB 0.985 69.365 68.868 -0.812 0.000 0.962 927 T HN 0.447 nan 8.240 nan 0.000 0.465 928 P HA 0.082 nan 4.420 nan 0.000 0.238 928 P C -0.585 176.554 177.300 -0.270 0.000 1.714 928 P CA -0.382 62.298 63.100 -0.700 0.000 0.908 928 P CB -0.837 30.601 31.700 -0.436 0.000 1.893 929 Y N -0.398 119.807 120.300 -0.158 0.000 2.717 929 Y HA -0.098 4.452 4.550 -0.000 0.000 0.330 929 Y C 2.278 178.218 175.900 0.067 0.000 1.217 929 Y CA -0.402 57.682 58.100 -0.027 0.000 1.506 929 Y CB 0.458 38.857 38.460 -0.101 0.000 1.268 929 Y HN -0.113 nan 8.280 nan 0.000 0.561 930 V N 4.047 124.167 119.914 0.344 0.000 2.278 930 V HA -0.330 3.790 4.120 -0.000 0.000 0.251 930 V C 0.630 176.888 176.094 0.274 0.000 1.062 930 V CA 1.609 64.093 62.300 0.306 0.000 1.038 930 V CB -0.534 31.504 31.823 0.359 0.000 0.646 930 V HN 0.608 nan 8.190 nan 0.000 0.447 931 F N 3.480 123.482 119.950 0.088 0.000 2.391 931 F HA 0.496 5.023 4.527 -0.000 0.000 0.359 931 F C -2.326 173.491 175.800 0.029 0.000 1.122 931 F CA -3.149 54.856 58.000 0.007 0.000 1.120 931 F CB 0.945 39.854 39.000 -0.151 0.000 1.142 931 F HN 0.001 nan 8.300 nan 0.000 0.483 932 P HA 0.350 nan 4.420 nan 0.000 0.278 932 P C -1.226 175.853 177.300 -0.368 0.000 1.238 932 P CA -0.193 62.715 63.100 -0.321 0.000 0.794 932 P CB 1.696 33.227 31.700 -0.281 0.000 0.955 933 S N -0.231 115.418 115.700 -0.086 0.000 2.683 933 S HA 0.379 4.849 4.470 -0.000 0.000 0.269 933 S C -0.837 173.779 174.600 0.028 0.000 1.165 933 S CA -0.913 57.277 58.200 -0.018 0.000 0.840 933 S CB 0.228 63.458 63.200 0.050 0.000 1.169 933 S HN 0.357 nan 8.310 nan 0.000 0.490 934 E N 1.303 121.524 120.200 0.034 0.000 2.652 934 E HA 0.323 4.673 4.350 -0.000 0.000 0.255 934 E C -0.086 176.572 176.600 0.096 0.000 0.952 934 E CA 1.092 57.530 56.400 0.063 0.000 0.947 934 E CB -0.493 29.262 29.700 0.092 0.000 0.912 934 E HN 0.788 nan 8.360 nan 0.000 0.489 935 N N 1.588 120.377 118.700 0.148 0.000 3.106 935 N HA 0.523 5.262 4.740 -0.000 0.000 0.253 935 N C 0.385 175.960 175.510 0.108 0.000 1.506 935 N CA -0.658 52.521 53.050 0.215 0.000 0.876 935 N CB 0.592 39.207 38.487 0.213 0.000 1.452 935 N HN 0.647 nan 8.380 nan 0.000 0.542 936 G N -1.366 107.458 108.800 0.040 0.000 2.189 936 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.267 936 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.267 936 G C -0.108 174.559 174.900 -0.389 0.000 0.975 936 G CA 0.557 45.567 45.100 -0.150 0.000 0.644 936 G HN 0.694 nan 8.290 nan 0.000 0.537 937 L N 1.209 122.139 121.223 -0.489 0.000 2.529 937 L HA 0.434 4.774 4.340 -0.000 0.000 0.287 937 L C 0.832 177.138 176.870 -0.940 0.000 1.241 937 L CA 0.530 54.837 54.840 -0.888 0.000 0.857 937 L CB 0.365 41.587 42.059 -1.396 0.000 1.113 937 L HN 0.352 nan 8.230 nan 0.000 0.504 938 R N 3.882 123.737 120.500 -1.076 0.000 2.575 938 R HA 0.488 4.828 4.340 -0.000 0.000 0.293 938 R C -1.154 174.767 176.300 -0.631 0.000 0.983 938 R CA -0.685 54.898 56.100 -0.862 0.000 0.887 938 R CB 0.775 30.538 30.300 -0.896 0.000 1.184 938 R HN 0.569 nan 8.270 nan 0.000 0.445 939 C N -0.224 118.857 119.300 -0.365 0.000 2.354 939 C HA 0.687 5.146 4.460 -0.000 0.000 0.381 939 C C 1.315 176.273 174.990 -0.054 0.000 1.240 939 C CA 0.224 59.118 59.018 -0.208 0.000 2.089 939 C CB 1.098 28.744 27.740 -0.158 0.000 2.234 939 C HN 1.065 nan 8.230 nan 0.000 0.544 940 G N 2.015 110.795 108.800 -0.033 0.000 2.366 940 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.299 940 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.299 940 G C -0.133 174.822 174.900 0.091 0.000 1.020 940 G CA 0.483 45.611 45.100 0.048 0.000 1.026 940 G HN 0.812 nan 8.290 nan 0.000 0.512 941 T N -0.292 114.183 114.554 -0.131 0.000 2.829 941 T HA 0.543 4.893 4.350 -0.000 0.000 0.282 941 T C 1.431 175.808 174.700 -0.539 0.000 0.990 941 T CA -0.602 61.364 62.100 -0.222 0.000 1.028 941 T CB 1.543 70.250 68.868 -0.267 0.000 0.951 941 T HN 0.343 nan 8.240 nan 0.000 0.460 942 R N 1.158 121.568 120.500 -0.151 0.000 2.279 942 R HA 0.267 4.607 4.340 -0.000 0.000 0.195 942 R C 0.439 176.798 176.300 0.099 0.000 0.905 942 R CA 0.144 56.227 56.100 -0.029 0.000 1.044 942 R CB 0.910 31.314 30.300 0.173 0.000 1.056 942 R HN 0.614 nan 8.270 nan 0.000 0.535 943 E N 1.016 121.291 120.200 0.125 0.000 2.321 943 E HA 0.283 4.632 4.350 -0.000 0.000 0.281 943 E C -2.022 174.746 176.600 0.280 0.000 0.910 943 E CA -0.592 55.958 56.400 0.249 0.000 0.770 943 E CB 1.797 31.607 29.700 0.183 0.000 1.225 943 E HN -0.103 nan 8.360 nan 0.000 0.417 944 L N 4.066 125.509 121.223 0.367 0.000 2.410 944 L HA 0.608 4.948 4.340 -0.000 0.000 0.270 944 L C -1.925 175.180 176.870 0.392 0.000 0.983 944 L CA -0.414 54.593 54.840 0.279 0.000 0.822 944 L CB 1.877 43.942 42.059 0.011 0.000 1.285 944 L HN 0.433 nan 8.230 nan 0.000 0.409 945 N N 4.262 123.157 118.700 0.325 0.000 2.399 945 N HA 0.424 5.164 4.740 -0.000 0.000 0.284 945 N C -2.037 173.724 175.510 0.419 0.000 1.025 945 N CA -0.207 53.038 53.050 0.325 0.000 0.885 945 N CB 2.025 40.640 38.487 0.214 0.000 1.339 945 N HN 0.619 nan 8.380 nan 0.000 0.487 946 Y N 1.387 121.857 120.300 0.284 0.000 2.323 946 Y HA 0.438 4.988 4.550 -0.000 0.000 0.322 946 Y C 0.563 176.602 175.900 0.233 0.000 1.133 946 Y CA 0.178 58.429 58.100 0.253 0.000 1.093 946 Y CB 0.602 39.241 38.460 0.300 0.000 1.203 946 Y HN 0.825 nan 8.280 nan 0.000 0.427 947 G N 6.338 115.049 108.800 -0.148 0.000 2.527 947 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.268 947 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.268 947 G C -1.883 172.956 174.900 -0.101 0.000 1.175 947 G CA -0.030 44.961 45.100 -0.181 0.000 0.962 947 G HN 0.547 nan 8.290 nan 0.000 0.560 948 P HA 0.144 nan 4.420 nan 0.000 0.241 948 P C 0.458 177.514 177.300 -0.408 0.000 1.191 948 P CA 0.969 63.890 63.100 -0.299 0.000 0.771 948 P CB -0.057 31.389 31.700 -0.424 0.000 0.929 949 H N -0.276 118.746 119.070 -0.080 0.000 2.505 949 H HA 0.527 5.083 4.556 -0.000 0.000 0.351 949 H C 0.315 175.422 175.328 -0.368 0.000 1.151 949 H CA -0.125 55.760 56.048 -0.272 0.000 1.339 949 H CB 0.830 30.243 29.762 -0.581 0.000 1.483 949 H HN -0.067 nan 8.280 nan 0.000 0.558 950 Q N 2.156 121.703 119.800 -0.422 0.000 2.284 950 Q HA 0.258 4.598 4.340 -0.000 0.000 0.269 950 Q C -1.955 173.803 176.000 -0.403 0.000 1.026 950 Q CA -0.753 54.901 55.803 -0.249 0.000 0.831 950 Q CB 1.756 30.485 28.738 -0.015 0.000 1.322 950 Q HN 0.625 nan 8.270 nan 0.000 0.419 951 W N 3.668 124.973 121.300 0.009 0.000 2.819 951 W HA 0.621 5.281 4.660 -0.000 0.000 0.337 951 W C -0.560 176.057 176.519 0.164 0.000 1.077 951 W CA -0.799 56.519 57.345 -0.045 0.000 1.226 951 W CB 2.204 31.450 29.460 -0.357 0.000 1.419 951 W HN 0.651 nan 8.180 nan 0.000 0.502 952 R N 0.973 121.731 120.500 0.430 0.000 2.725 952 R HA 0.877 5.217 4.340 -0.000 0.000 0.277 952 R C 0.080 176.665 176.300 0.475 0.000 0.987 952 R CA -0.685 55.683 56.100 0.446 0.000 0.901 952 R CB 2.299 32.771 30.300 0.287 0.000 1.207 952 R HN 0.690 nan 8.270 nan 0.000 0.463 953 G N 0.629 109.744 108.800 0.524 0.000 2.534 953 G HA2 0.041 4.001 3.960 -0.000 0.000 0.142 953 G HA3 0.041 4.001 3.960 -0.000 0.000 0.142 953 G C -1.703 173.380 174.900 0.304 0.000 1.178 953 G CA -0.397 44.964 45.100 0.436 0.000 1.037 953 G HN 0.512 nan 8.290 nan 0.000 0.474 954 D N 0.485 121.087 120.400 0.336 0.000 2.330 954 D HA 0.586 5.226 4.640 -0.000 0.000 0.249 954 D C -0.892 175.453 176.300 0.075 0.000 1.306 954 D CA -0.264 53.781 54.000 0.075 0.000 0.956 954 D CB 0.679 41.528 40.800 0.082 0.000 1.261 954 D HN 0.440 nan 8.370 nan 0.000 0.544 955 F N 0.018 119.966 119.950 -0.003 0.000 2.950 955 F HA 0.620 5.146 4.527 -0.000 0.000 0.327 955 F C -1.085 174.683 175.800 -0.055 0.000 1.197 955 F CA -1.012 56.926 58.000 -0.103 0.000 0.954 955 F CB 0.708 39.633 39.000 -0.124 0.000 1.442 955 F HN -0.155 nan 8.300 nan 0.000 0.509 956 Q N 1.352 121.237 119.800 0.142 0.000 2.413 956 Q HA 0.677 5.017 4.340 -0.000 0.000 0.276 956 Q C -1.409 174.678 176.000 0.146 0.000 1.099 956 Q CA -0.543 55.258 55.803 -0.004 0.000 0.814 956 Q CB 2.916 31.523 28.738 -0.219 0.000 1.379 956 Q HN 0.923 nan 8.270 nan 0.000 0.436 957 F N -1.144 118.685 119.950 -0.200 0.000 2.779 957 F HA 0.781 5.308 4.527 -0.000 0.000 0.316 957 F C -1.803 173.789 175.800 -0.348 0.000 1.164 957 F CA -1.007 56.842 58.000 -0.252 0.000 0.924 957 F CB 1.520 40.391 39.000 -0.215 0.000 1.348 957 F HN 0.629 nan 8.300 nan 0.000 0.467 958 N N 1.065 119.635 118.700 -0.217 0.000 2.494 958 N HA 0.723 5.463 4.740 -0.000 0.000 0.270 958 N C -2.165 173.330 175.510 -0.026 0.000 1.285 958 N CA -0.704 52.184 53.050 -0.271 0.000 0.812 958 N CB 2.495 40.813 38.487 -0.283 0.000 1.557 958 N HN 1.156 nan 8.380 nan 0.000 0.487 959 I N 0.250 120.785 120.570 -0.057 0.000 2.685 959 I HA 0.629 4.799 4.170 -0.000 0.000 0.289 959 I C -1.379 174.696 176.117 -0.070 0.000 1.292 959 I CA 0.089 61.335 61.300 -0.090 0.000 1.050 959 I CB 1.341 39.229 38.000 -0.187 0.000 1.301 959 I HN 1.089 nan 8.210 nan 0.000 0.425 960 S N 6.422 122.097 115.700 -0.042 0.000 2.714 960 S HA 0.531 5.001 4.470 -0.000 0.000 0.280 960 S C -0.437 174.107 174.600 -0.094 0.000 1.200 960 S CA -0.949 57.225 58.200 -0.044 0.000 0.900 960 S CB 1.600 64.844 63.200 0.073 0.000 1.235 960 S HN 0.635 nan 8.310 nan 0.000 0.512 961 R N 0.034 120.305 120.500 -0.381 0.000 2.466 961 R HA 0.300 4.640 4.340 -0.000 0.000 0.279 961 R C -1.070 174.883 176.300 -0.579 0.000 0.976 961 R CA 0.166 55.969 56.100 -0.495 0.000 1.081 961 R CB -0.627 29.224 30.300 -0.748 0.000 1.215 961 R HN 0.626 nan 8.270 nan 0.000 0.546 962 Y N 0.160 120.463 120.300 0.005 0.000 2.391 962 Y HA 0.237 4.787 4.550 -0.000 0.000 0.341 962 Y C 0.737 176.403 175.900 -0.390 0.000 0.965 962 Y CA -1.178 56.832 58.100 -0.149 0.000 1.067 962 Y CB 1.498 39.813 38.460 -0.241 0.000 1.199 962 Y HN -0.083 nan 8.280 nan 0.000 0.450 963 S N 1.608 117.002 115.700 -0.510 0.000 2.593 963 S HA 0.065 4.535 4.470 -0.000 0.000 0.269 963 S C 0.851 175.147 174.600 -0.505 0.000 1.334 963 S CA -0.657 56.901 58.200 -1.069 0.000 1.015 963 S CB 1.145 63.762 63.200 -0.972 0.000 0.912 963 S HN 0.768 nan 8.310 nan 0.000 0.541 964 Q N 0.573 120.071 119.800 -0.503 0.000 2.124 964 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 964 Q C 2.176 178.057 176.000 -0.198 0.000 0.977 964 Q CA 1.640 57.287 55.803 -0.259 0.000 0.850 964 Q CB -0.439 28.182 28.738 -0.195 0.000 0.901 964 Q HN 0.924 nan 8.270 nan 0.000 0.429 965 Q N 0.715 120.373 119.800 -0.236 0.000 2.084 965 Q HA -0.207 4.132 4.340 -0.000 0.000 0.202 965 Q C 2.062 177.986 176.000 -0.127 0.000 0.978 965 Q CA 1.298 57.013 55.803 -0.146 0.000 0.844 965 Q CB 0.037 28.707 28.738 -0.114 0.000 0.898 965 Q HN 0.415 nan 8.270 nan 0.000 0.426 966 Q N 0.111 119.820 119.800 -0.152 0.000 2.030 966 Q HA -0.177 4.163 4.340 -0.000 0.000 0.204 966 Q C 2.359 178.273 176.000 -0.144 0.000 0.986 966 Q CA 1.485 57.215 55.803 -0.121 0.000 0.843 966 Q CB -0.131 28.531 28.738 -0.127 0.000 0.904 966 Q HN 0.459 nan 8.270 nan 0.000 0.420 967 L N 0.084 121.210 121.223 -0.162 0.000 2.042 967 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 967 L C 2.708 179.471 176.870 -0.178 0.000 1.076 967 L CA 1.338 56.071 54.840 -0.178 0.000 0.749 967 L CB -0.412 41.567 42.059 -0.133 0.000 0.893 967 L HN 0.415 nan 8.230 nan 0.000 0.432 968 M N -0.462 119.059 119.600 -0.132 0.000 2.296 968 M HA -0.183 4.297 4.480 -0.000 0.000 0.265 968 M C 1.681 177.916 176.300 -0.108 0.000 1.064 968 M CA 1.679 56.913 55.300 -0.110 0.000 1.109 968 M CB 0.091 32.632 32.600 -0.098 0.000 1.396 968 M HN 0.200 nan 8.290 nan 0.000 0.430 969 E N -0.768 119.371 120.200 -0.102 0.000 2.447 969 E HA 0.053 4.403 4.350 -0.000 0.000 0.195 969 E C -0.219 176.339 176.600 -0.070 0.000 1.028 969 E CA 0.154 56.513 56.400 -0.069 0.000 0.876 969 E CB 0.470 30.143 29.700 -0.045 0.000 0.885 969 E HN 0.337 nan 8.360 nan 0.000 0.500 970 T N 0.556 115.037 114.554 -0.121 0.000 2.799 970 T HA 0.086 4.436 4.350 -0.000 0.000 0.286 970 T C 1.126 175.724 174.700 -0.171 0.000 0.973 970 T CA -0.359 61.668 62.100 -0.122 0.000 1.035 970 T CB 1.618 70.394 68.868 -0.154 0.000 0.932 970 T HN 0.038 nan 8.240 nan 0.000 0.469 971 S N 1.867 117.550 115.700 -0.027 0.000 2.501 971 S HA 0.072 4.542 4.470 -0.000 0.000 0.220 971 S C 0.273 174.906 174.600 0.054 0.000 0.997 971 S CA 0.249 58.478 58.200 0.048 0.000 0.919 971 S CB -0.197 63.199 63.200 0.327 0.000 0.778 971 S HN 0.744 nan 8.310 nan 0.000 0.523 972 H N 0.385 119.444 119.070 -0.019 0.000 2.806 972 H HA 0.512 5.067 4.556 -0.000 0.000 0.367 972 H C 0.938 176.265 175.328 -0.002 0.000 1.136 972 H CA -0.741 55.376 56.048 0.114 0.000 1.178 972 H CB 1.509 31.410 29.762 0.232 0.000 1.718 972 H HN 0.107 nan 8.280 nan 0.000 0.540 973 R N 1.412 122.050 120.500 0.231 0.000 2.117 973 R HA -0.219 4.121 4.340 -0.000 0.000 0.243 973 R C 1.402 177.740 176.300 0.064 0.000 1.143 973 R CA 2.129 58.294 56.100 0.109 0.000 0.968 973 R CB -0.628 29.750 30.300 0.131 0.000 0.863 973 R HN 0.785 nan 8.270 nan 0.000 0.444 974 H N 1.590 120.674 119.070 0.023 0.000 2.489 974 H HA -0.020 4.536 4.556 -0.000 0.000 0.293 974 H C 1.621 176.882 175.328 -0.111 0.000 1.066 974 H CA 1.152 57.165 56.048 -0.058 0.000 1.305 974 H CB -0.281 29.425 29.762 -0.093 0.000 1.386 974 H HN 0.342 nan 8.280 nan 0.000 0.551 975 L N 0.849 121.679 121.223 -0.654 0.000 2.599 975 L HA 0.192 4.532 4.340 -0.000 0.000 0.230 975 L C 0.524 177.303 176.870 -0.152 0.000 1.141 975 L CA -0.077 54.501 54.840 -0.437 0.000 0.877 975 L CB -0.115 41.686 42.059 -0.430 0.000 1.009 975 L HN 0.036 nan 8.230 nan 0.000 0.447 976 L N 0.342 121.469 121.223 -0.159 0.000 2.399 976 L HA 0.324 4.664 4.340 -0.000 0.000 0.266 976 L C 0.109 176.998 176.870 0.033 0.000 1.114 976 L CA -0.460 54.283 54.840 -0.162 0.000 0.804 976 L CB 0.688 42.459 42.059 -0.481 0.000 1.146 976 L HN 0.124 nan 8.230 nan 0.000 0.451 977 H N 0.589 119.743 119.070 0.141 0.000 2.806 977 H HA 0.641 5.196 4.556 -0.000 0.000 0.367 977 H C -0.848 174.584 175.328 0.173 0.000 1.136 977 H CA -1.227 54.908 56.048 0.145 0.000 1.178 977 H CB 1.302 31.087 29.762 0.039 0.000 1.718 977 H HN 0.714 nan 8.280 nan 0.000 0.540 978 A N 2.837 125.690 122.820 0.055 0.000 2.531 978 A HA 0.095 4.415 4.320 -0.000 0.000 0.236 978 A C 0.368 177.921 177.584 -0.052 0.000 1.062 978 A CA -0.071 51.821 52.037 -0.241 0.000 0.760 978 A CB -0.009 18.859 19.000 -0.219 0.000 0.995 978 A HN 0.815 nan 8.150 nan 0.000 0.501 979 E N 0.498 120.622 120.200 -0.126 0.000 2.292 979 E HA 0.131 4.481 4.350 -0.000 0.000 0.258 979 E C 0.709 177.298 176.600 -0.019 0.000 1.115 979 E CA -0.698 55.728 56.400 0.045 0.000 0.929 979 E CB 0.658 30.480 29.700 0.204 0.000 1.161 979 E HN 0.826 nan 8.360 nan 0.000 0.453 980 E N 0.276 120.469 120.200 -0.012 0.000 2.065 980 E HA -0.217 4.133 4.350 -0.000 0.000 0.201 980 E C 0.923 177.454 176.600 -0.114 0.000 1.016 980 E CA 1.766 58.128 56.400 -0.063 0.000 0.818 980 E CB 0.016 29.684 29.700 -0.054 0.000 0.749 980 E HN 0.571 nan 8.360 nan 0.000 0.453 981 G N -1.407 107.274 108.800 -0.198 0.000 3.387 981 G HA2 0.249 4.209 3.960 -0.000 0.000 0.194 981 G HA3 0.249 4.209 3.960 -0.000 0.000 0.194 981 G C -0.642 174.153 174.900 -0.174 0.000 1.417 981 G CA -0.073 44.922 45.100 -0.175 0.000 0.777 981 G HN 0.120 nan 8.290 nan 0.000 0.721 982 T N 0.410 114.851 114.554 -0.189 0.000 2.841 982 T HA 0.397 4.747 4.350 -0.000 0.000 0.285 982 T C -1.584 172.969 174.700 -0.246 0.000 0.991 982 T CA -0.120 61.899 62.100 -0.134 0.000 0.966 982 T CB 1.654 70.548 68.868 0.043 0.000 0.962 982 T HN 0.322 nan 8.240 nan 0.000 0.438 983 W N 3.001 124.214 121.300 -0.145 0.000 2.351 983 W HA 0.636 5.296 4.660 -0.000 0.000 0.311 983 W C -0.415 175.987 176.519 -0.194 0.000 1.168 983 W CA -0.740 56.517 57.345 -0.146 0.000 1.200 983 W CB 0.917 30.302 29.460 -0.126 0.000 1.221 983 W HN 0.338 nan 8.180 nan 0.000 0.519 984 L N 5.494 126.781 121.223 0.106 0.000 2.381 984 L HA 0.485 4.825 4.340 -0.000 0.000 0.274 984 L C -1.069 175.735 176.870 -0.110 0.000 0.988 984 L CA -0.531 54.239 54.840 -0.117 0.000 0.824 984 L CB 1.018 42.877 42.059 -0.333 0.000 1.263 984 L HN 0.329 nan 8.230 nan 0.000 0.410 985 N N 6.913 125.529 118.700 -0.139 0.000 2.443 985 N HA 0.498 5.237 4.740 -0.000 0.000 0.269 985 N C -1.213 174.181 175.510 -0.193 0.000 0.985 985 N CA -0.294 52.664 53.050 -0.154 0.000 0.921 985 N CB 2.310 40.726 38.487 -0.118 0.000 1.195 985 N HN 0.502 nan 8.380 nan 0.000 0.492 986 I N 1.688 122.099 120.570 -0.265 0.000 2.382 986 I HA 0.261 4.431 4.170 -0.000 0.000 0.285 986 I C -0.657 175.297 176.117 -0.271 0.000 1.007 986 I CA -0.615 60.499 61.300 -0.309 0.000 1.142 986 I CB 1.604 39.284 38.000 -0.533 0.000 1.289 986 I HN 0.140 nan 8.210 nan 0.000 0.453 987 D N 4.604 124.876 120.400 -0.215 0.000 2.217 987 D HA 0.307 4.947 4.640 -0.000 0.000 0.243 987 D C 1.021 177.052 176.300 -0.448 0.000 1.054 987 D CA -0.191 53.629 54.000 -0.299 0.000 0.838 987 D CB 2.553 43.270 40.800 -0.138 0.000 1.162 987 D HN 0.709 nan 8.370 nan 0.000 0.472 988 G N 1.248 109.508 108.800 -0.901 0.000 2.430 988 G HA2 0.036 3.996 3.960 -0.000 0.000 0.216 988 G HA3 0.036 3.996 3.960 -0.000 0.000 0.216 988 G C 0.063 174.103 174.900 -1.434 0.000 1.146 988 G CA 0.489 44.775 45.100 -1.357 0.000 0.793 988 G HN 0.386 nan 8.290 nan 0.000 0.537 989 F N -1.811 117.932 119.950 -0.345 0.000 2.654 989 F HA 0.544 5.071 4.527 -0.000 0.000 0.308 989 F C -0.696 175.007 175.800 -0.161 0.000 1.108 989 F CA -1.215 56.665 58.000 -0.199 0.000 0.957 989 F CB 1.977 40.800 39.000 -0.296 0.000 1.309 989 F HN -0.074 nan 8.300 nan 0.000 0.446 990 H N 2.543 121.631 119.070 0.029 0.000 2.954 990 H HA 0.388 4.944 4.556 -0.000 0.000 0.361 990 H C -1.126 174.226 175.328 0.041 0.000 1.122 990 H CA -0.745 55.290 56.048 -0.022 0.000 1.217 990 H CB 2.394 32.122 29.762 -0.056 0.000 1.776 990 H HN 0.864 nan 8.280 nan 0.000 0.533 991 M N 2.766 122.329 119.600 -0.062 0.000 2.250 991 M HA 0.250 4.729 4.480 -0.000 0.000 0.325 991 M C 0.555 176.976 176.300 0.201 0.000 1.084 991 M CA 0.478 55.805 55.300 0.044 0.000 1.161 991 M CB 0.354 32.876 32.600 -0.131 0.000 1.481 991 M HN 0.728 nan 8.290 nan 0.000 0.449 992 G N 2.899 111.791 108.800 0.154 0.000 2.684 992 G HA2 0.325 4.284 3.960 -0.000 0.000 0.255 992 G HA3 0.325 4.284 3.960 -0.000 0.000 0.255 992 G C 0.550 175.428 174.900 -0.037 0.000 1.219 992 G CA -0.285 44.833 45.100 0.029 0.000 0.901 992 G HN 0.993 nan 8.290 nan 0.000 0.548 993 I N -2.464 118.032 120.570 -0.123 0.000 3.939 993 I HA 0.443 4.613 4.170 -0.000 0.000 0.313 993 I C 1.137 177.182 176.117 -0.119 0.000 1.274 993 I CA 0.505 61.705 61.300 -0.165 0.000 1.301 993 I CB -0.361 37.452 38.000 -0.312 0.000 1.105 993 I HN 0.964 nan 8.210 nan 0.000 0.427 994 G N 1.667 110.413 108.800 -0.090 0.000 2.645 994 G HA2 0.039 3.998 3.960 -0.000 0.000 0.239 994 G HA3 0.039 3.998 3.960 -0.000 0.000 0.239 994 G C 0.570 175.456 174.900 -0.022 0.000 1.331 994 G CA 0.121 45.205 45.100 -0.026 0.000 0.890 994 G HN 1.411 nan 8.290 nan 0.000 0.572 995 G N -2.286 106.513 108.800 -0.001 0.000 2.559 995 G HA2 0.046 4.006 3.960 -0.000 0.000 0.202 995 G HA3 0.046 4.006 3.960 -0.000 0.000 0.202 995 G C 0.585 175.514 174.900 0.048 0.000 0.992 995 G CA 0.917 46.022 45.100 0.008 0.000 0.764 995 G HN 0.969 nan 8.290 nan 0.000 0.525 996 D N 1.224 121.665 120.400 0.070 0.000 2.228 996 D HA 0.132 4.771 4.640 -0.000 0.000 0.203 996 D C 0.947 177.240 176.300 -0.012 0.000 0.988 996 D CA 2.111 56.207 54.000 0.160 0.000 0.864 996 D CB 0.129 41.040 40.800 0.184 0.000 0.928 996 D HN 0.846 nan 8.370 nan 0.000 0.469 997 D N -3.801 116.380 120.400 -0.366 0.000 2.694 997 D HA 0.265 4.905 4.640 -0.000 0.000 0.260 997 D C -0.874 174.840 176.300 -0.977 0.000 1.250 997 D CA -0.733 52.585 54.000 -1.137 0.000 0.763 997 D CB 0.762 40.441 40.800 -1.868 0.000 1.311 997 D HN -0.293 nan 8.370 nan 0.000 0.420 998 S N -0.142 114.766 115.700 -1.319 0.000 2.588 998 S HA 0.255 4.725 4.470 -0.000 0.000 0.245 998 S C -0.624 174.039 174.600 0.106 0.000 1.021 998 S CA -0.716 57.341 58.200 -0.239 0.000 1.006 998 S CB -0.618 62.751 63.200 0.281 0.000 0.830 998 S HN 0.597 nan 8.310 nan 0.000 0.468 999 W N 1.114 122.346 121.300 -0.113 0.000 1.832 999 W HA 0.597 5.257 4.660 -0.000 0.000 0.297 999 W C -0.059 176.399 176.519 -0.102 0.000 0.891 999 W CA -0.703 56.570 57.345 -0.120 0.000 2.000 999 W CB -0.578 28.769 29.460 -0.189 0.000 1.081 999 W HN 0.175 nan 8.180 nan 0.000 0.499 1000 S N -1.290 114.309 115.700 -0.167 0.000 2.595 1000 S HA 0.583 5.052 4.470 -0.000 0.000 0.270 1000 S C -3.255 171.275 174.600 -0.117 0.000 1.145 1000 S CA -1.479 56.640 58.200 -0.134 0.000 0.825 1000 S CB 1.512 64.634 63.200 -0.129 0.000 1.107 1000 S HN -0.196 nan 8.310 nan 0.000 0.461 1001 P HA 0.271 nan 4.420 nan 0.000 0.270 1001 P C 0.261 177.591 177.300 0.050 0.000 1.242 1001 P CA -0.109 62.997 63.100 0.010 0.000 0.768 1001 P CB 0.701 32.301 31.700 -0.167 0.000 0.820 1002 S N 1.064 116.825 115.700 0.102 0.000 2.819 1002 S HA 0.169 4.639 4.470 -0.000 0.000 0.249 1002 S C 0.161 174.831 174.600 0.117 0.000 1.030 1002 S CA -0.350 57.887 58.200 0.061 0.000 1.052 1002 S CB -0.260 62.919 63.200 -0.034 0.000 1.017 1002 S HN 0.099 nan 8.310 nan 0.000 0.576 1003 V N 4.147 124.179 119.914 0.197 0.000 2.385 1003 V HA 0.457 4.577 4.120 -0.000 0.000 0.269 1003 V C 0.790 177.042 176.094 0.264 0.000 1.043 1003 V CA -0.393 62.025 62.300 0.197 0.000 0.906 1003 V CB 0.763 32.668 31.823 0.137 0.000 0.995 1003 V HN 0.676 nan 8.190 nan 0.000 0.467 1004 S N 4.674 120.559 115.700 0.308 0.000 2.572 1004 S HA 0.330 4.800 4.470 -0.000 0.000 0.279 1004 S C 1.507 176.267 174.600 0.267 0.000 1.341 1004 S CA 0.033 58.410 58.200 0.296 0.000 1.043 1004 S CB 1.399 64.740 63.200 0.235 0.000 0.887 1004 S HN 1.063 nan 8.310 nan 0.000 0.516 1005 A N 2.149 125.064 122.820 0.159 0.000 1.958 1005 A HA -0.188 4.132 4.320 -0.000 0.000 0.221 1005 A C 1.915 179.508 177.584 0.016 0.000 1.178 1005 A CA 1.967 54.074 52.037 0.117 0.000 0.642 1005 A CB -1.168 17.880 19.000 0.080 0.000 0.816 1005 A HN 0.994 nan 8.150 nan 0.000 0.453 1006 E N -1.213 118.899 120.200 -0.146 0.000 2.409 1006 E HA -0.085 4.265 4.350 -0.000 0.000 0.198 1006 E C 0.775 176.996 176.600 -0.631 0.000 1.024 1006 E CA 0.987 57.131 56.400 -0.427 0.000 0.861 1006 E CB -0.311 28.974 29.700 -0.690 0.000 0.788 1006 E HN 0.793 nan 8.360 nan 0.000 0.521 1007 F N 0.869 120.871 119.950 0.087 0.000 2.678 1007 F HA 0.199 4.726 4.527 -0.000 0.000 0.305 1007 F C 0.667 176.510 175.800 0.071 0.000 1.090 1007 F CA -0.452 57.598 58.000 0.084 0.000 1.272 1007 F CB 0.371 39.419 39.000 0.080 0.000 1.060 1007 F HN -0.159 nan 8.300 nan 0.000 0.576 1008 Q N 1.191 121.111 119.800 0.200 0.000 2.227 1008 Q HA 0.408 4.748 4.340 -0.000 0.000 0.245 1008 Q C -0.225 175.819 176.000 0.073 0.000 0.926 1008 Q CA -0.538 55.369 55.803 0.173 0.000 0.895 1008 Q CB 1.825 30.763 28.738 0.334 0.000 1.230 1008 Q HN 0.236 nan 8.270 nan 0.000 0.450 1009 L N 2.355 123.594 121.223 0.025 0.000 2.422 1009 L HA 0.117 4.457 4.340 -0.000 0.000 0.256 1009 L C 0.612 177.382 176.870 -0.166 0.000 1.202 1009 L CA -0.064 54.749 54.840 -0.044 0.000 1.119 1009 L CB -0.292 41.640 42.059 -0.211 0.000 1.383 1009 L HN 0.732 nan 8.230 nan 0.000 0.411 1010 S N -1.063 114.499 115.700 -0.230 0.000 2.539 1010 S HA 0.115 4.585 4.470 -0.000 0.000 0.221 1010 S C 1.791 176.294 174.600 -0.161 0.000 0.987 1010 S CA 0.220 58.113 58.200 -0.511 0.000 0.929 1010 S CB 0.681 63.635 63.200 -0.410 0.000 0.832 1010 S HN 0.513 nan 8.310 nan 0.000 0.492 1011 A N 1.852 124.623 122.820 -0.081 0.000 2.024 1011 A HA 0.354 4.674 4.320 -0.000 0.000 0.220 1011 A C 2.203 179.631 177.584 -0.259 0.000 1.164 1011 A CA 1.631 53.491 52.037 -0.296 0.000 0.643 1011 A CB -1.402 17.145 19.000 -0.755 0.000 0.806 1011 A HN 1.528 nan 8.150 nan 0.000 0.451 1012 G N -1.863 106.875 108.800 -0.104 0.000 2.363 1012 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.238 1012 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.238 1012 G C 0.423 175.297 174.900 -0.043 0.000 1.062 1012 G CA 0.453 45.548 45.100 -0.009 0.000 0.629 1012 G HN 0.728 nan 8.290 nan 0.000 0.514 1013 R N -0.652 119.657 120.500 -0.319 0.000 2.574 1013 R HA 0.650 4.990 4.340 -0.000 0.000 0.288 1013 R C -1.626 174.333 176.300 -0.568 0.000 1.004 1013 R CA -0.632 55.334 56.100 -0.224 0.000 0.895 1013 R CB 1.580 31.817 30.300 -0.106 0.000 1.191 1013 R HN 0.215 nan 8.270 nan 0.000 0.444 1014 Y N 0.317 120.613 120.300 -0.006 0.000 2.477 1014 Y HA 0.377 4.927 4.550 -0.000 0.000 0.347 1014 Y C -0.368 175.704 175.900 0.287 0.000 0.981 1014 Y CA -0.899 57.192 58.100 -0.014 0.000 1.033 1014 Y CB 2.168 40.443 38.460 -0.308 0.000 1.245 1014 Y HN 0.591 nan 8.280 nan 0.000 0.455 1015 H N 2.600 121.970 119.070 0.500 0.000 2.771 1015 H HA 0.643 5.199 4.556 -0.000 0.000 0.361 1015 H C -1.743 173.956 175.328 0.618 0.000 1.108 1015 H CA -0.982 55.327 56.048 0.433 0.000 1.201 1015 H CB 1.320 31.227 29.762 0.242 0.000 1.681 1015 H HN 0.597 nan 8.280 nan 0.000 0.534 1016 Y N 1.279 121.280 120.300 -0.498 0.000 2.656 1016 Y HA 0.527 5.077 4.550 -0.000 0.000 0.334 1016 Y C -2.008 173.684 175.900 -0.346 0.000 1.179 1016 Y CA -1.096 56.826 58.100 -0.297 0.000 1.050 1016 Y CB 1.310 39.713 38.460 -0.095 0.000 1.308 1016 Y HN 0.701 nan 8.280 nan 0.000 0.456 1017 Q N 2.771 122.545 119.800 -0.044 0.000 2.416 1017 Q HA 0.805 5.145 4.340 -0.000 0.000 0.281 1017 Q C -1.929 174.138 176.000 0.111 0.000 1.067 1017 Q CA -1.124 54.655 55.803 -0.040 0.000 0.809 1017 Q CB 3.650 32.406 28.738 0.030 0.000 1.418 1017 Q HN 0.770 nan 8.270 nan 0.000 0.411 1018 L N 0.823 122.094 121.223 0.079 0.000 2.465 1018 L HA 0.695 5.035 4.340 -0.000 0.000 0.257 1018 L C -1.513 175.464 176.870 0.178 0.000 0.988 1018 L CA -1.132 53.792 54.840 0.140 0.000 0.827 1018 L CB 2.809 44.925 42.059 0.094 0.000 1.397 1018 L HN 0.475 nan 8.230 nan 0.000 0.410 1019 V N 1.424 121.477 119.914 0.233 0.000 2.531 1019 V HA 0.483 4.603 4.120 -0.000 0.000 0.301 1019 V C -1.039 175.250 176.094 0.326 0.000 1.034 1019 V CA -0.452 62.003 62.300 0.257 0.000 0.865 1019 V CB 2.135 34.081 31.823 0.205 0.000 0.995 1019 V HN 0.638 nan 8.190 nan 0.000 0.424 1023 K N 0.000 120.337 120.400 -0.105 0.000 2.780 1023 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1023 K CA 0.000 56.245 56.287 -0.070 0.000 0.838 1023 K CB 0.000 32.468 32.500 -0.053 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543