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 3iap_1_C DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIQTHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.084 176.300 -0.361 0.000 0.893 13 R CA 0.000 55.957 56.100 -0.239 0.000 0.921 13 R CB 0.000 30.161 30.300 -0.232 0.000 0.687 14 R N 1.985 122.161 120.500 -0.541 0.000 3.127 14 R HA -0.153 4.187 4.340 0.000 0.000 0.247 14 R C -0.263 175.477 176.300 -0.933 0.000 0.896 14 R CA 0.820 56.230 56.100 -1.152 0.000 0.624 14 R CB -1.207 28.552 30.300 -0.902 0.000 1.154 14 R HN 0.267 nan 8.270 nan 0.000 0.474 15 D N -0.132 119.892 120.400 -0.626 0.000 2.309 15 D HA -0.169 4.471 4.640 0.000 0.000 0.212 15 D C 1.601 177.752 176.300 -0.249 0.000 0.968 15 D CA 1.602 55.313 54.000 -0.481 0.000 0.882 15 D CB -0.091 40.246 40.800 -0.772 0.000 0.918 15 D HN 0.731 nan 8.370 nan 0.000 0.503 16 W N 1.282 122.572 121.300 -0.017 0.000 3.180 16 W HA 0.196 4.856 4.660 -0.000 0.000 0.254 16 W C 0.680 177.285 176.519 0.144 0.000 1.318 16 W CA -0.194 57.260 57.345 0.182 0.000 1.608 16 W CB -0.198 29.424 29.460 0.270 0.000 1.124 16 W HN -0.191 nan 8.180 nan 0.000 0.694 17 E N 0.910 120.980 120.200 -0.216 0.000 2.887 17 E HA 0.042 4.392 4.350 0.000 0.000 0.206 17 E C -0.639 175.794 176.600 -0.279 0.000 0.983 17 E CA -0.189 56.108 56.400 -0.172 0.000 1.141 17 E CB -0.127 29.448 29.700 -0.209 0.000 1.061 17 E HN 0.034 nan 8.360 nan 0.000 0.468 18 N N 1.138 119.711 118.700 -0.212 0.000 2.571 18 N HA 0.138 4.878 4.740 0.000 0.000 0.286 18 N C -2.371 173.000 175.510 -0.232 0.000 1.138 18 N CA -1.984 50.908 53.050 -0.264 0.000 0.859 18 N CB 1.611 39.943 38.487 -0.258 0.000 1.414 18 N HN -0.208 nan 8.380 nan 0.000 0.529 19 P HA 0.117 nan 4.420 nan 0.000 0.237 19 P C 1.075 178.144 177.300 -0.384 0.000 1.178 19 P CA 0.415 63.221 63.100 -0.490 0.000 0.766 19 P CB 0.172 31.130 31.700 -1.237 0.000 0.876 20 G N -0.016 108.594 108.800 -0.316 0.000 2.511 20 G HA2 -0.005 3.955 3.960 0.000 0.000 0.217 20 G HA3 -0.005 3.955 3.960 0.000 0.000 0.217 20 G C 0.408 175.225 174.900 -0.139 0.000 1.133 20 G CA 0.239 45.205 45.100 -0.223 0.000 0.792 20 G HN 0.214 nan 8.290 nan 0.000 0.539 21 V N 1.724 121.568 119.914 -0.117 0.000 2.293 21 V HA 0.303 4.423 4.120 0.000 0.000 0.275 21 V C 0.973 177.107 176.094 0.068 0.000 1.021 21 V CA 0.228 62.504 62.300 -0.040 0.000 0.815 21 V CB 1.070 32.838 31.823 -0.093 0.000 1.025 21 V HN 0.347 nan 8.190 nan 0.000 0.448 22 T N 0.811 115.415 114.554 0.083 0.000 2.990 22 T HA 0.299 4.649 4.350 0.000 0.000 0.250 22 T C 0.346 175.125 174.700 0.131 0.000 1.041 22 T CA 0.158 62.327 62.100 0.115 0.000 1.010 22 T CB 0.342 69.230 68.868 0.034 0.000 1.003 22 T HN 0.665 nan 8.240 nan 0.000 0.499 23 Q N 0.291 120.194 119.800 0.170 0.000 2.578 23 Q HA 0.700 5.040 4.340 0.000 0.000 0.284 23 Q C -2.172 173.966 176.000 0.229 0.000 0.960 23 Q CA -1.039 54.865 55.803 0.167 0.000 0.809 23 Q CB 1.079 29.831 28.738 0.024 0.000 1.462 23 Q HN 0.241 nan 8.270 nan 0.000 0.392 24 L N 1.856 123.245 121.223 0.276 0.000 2.438 24 L HA 0.593 4.933 4.340 0.000 0.000 0.270 24 L C -0.607 176.397 176.870 0.223 0.000 0.972 24 L CA -0.896 54.104 54.840 0.266 0.000 0.831 24 L CB 1.885 44.203 42.059 0.431 0.000 1.273 24 L HN 0.836 nan 8.230 nan 0.000 0.405 25 N N 0.954 119.754 118.700 0.166 0.000 2.741 25 N HA -0.213 4.527 4.740 0.000 0.000 0.251 25 N C 0.156 175.771 175.510 0.174 0.000 1.112 25 N CA 0.808 53.948 53.050 0.150 0.000 0.750 25 N CB -0.822 37.714 38.487 0.081 0.000 1.119 25 N HN 0.644 nan 8.380 nan 0.000 0.561 26 R N 0.743 121.263 120.500 0.034 0.000 2.390 26 R HA 0.389 4.729 4.340 0.000 0.000 0.291 26 R C 0.560 176.742 176.300 -0.197 0.000 1.070 26 R CA -0.350 55.554 56.100 -0.327 0.000 1.014 26 R CB 0.553 30.637 30.300 -0.359 0.000 1.007 26 R HN 0.124 nan 8.270 nan 0.000 0.466 27 L N 2.839 123.919 121.223 -0.240 0.000 2.466 27 L HA 0.302 4.642 4.340 0.000 0.000 0.257 27 L C 0.609 177.439 176.870 -0.068 0.000 1.189 27 L CA -0.542 54.242 54.840 -0.093 0.000 0.813 27 L CB 0.803 42.836 42.059 -0.045 0.000 1.118 27 L HN 0.746 nan 8.230 nan 0.000 0.471 28 A N 1.368 124.187 122.820 -0.002 0.000 2.498 28 A HA 0.475 4.795 4.320 0.000 0.000 0.239 28 A C 0.322 177.935 177.584 0.048 0.000 1.068 28 A CA -0.027 52.020 52.037 0.016 0.000 0.766 28 A CB 0.127 19.153 19.000 0.044 0.000 1.003 28 A HN 0.785 nan 8.150 nan 0.000 0.497 29 A N 1.743 124.544 122.820 -0.031 0.000 2.366 29 A HA 0.641 4.961 4.320 0.000 0.000 0.249 29 A C 0.129 177.665 177.584 -0.080 0.000 1.084 29 A CA 0.534 52.490 52.037 -0.135 0.000 0.794 29 A CB -0.126 18.782 19.000 -0.154 0.000 1.034 29 A HN 1.858 nan 8.150 nan 0.000 0.491 30 H N -2.095 116.840 119.070 -0.225 0.000 2.987 30 H HA 0.628 5.184 4.556 0.000 0.000 0.316 30 H C -3.412 171.638 175.328 -0.463 0.000 1.380 30 H CA -1.895 53.944 56.048 -0.348 0.000 1.160 30 H CB 0.160 29.610 29.762 -0.521 0.000 1.865 30 H HN 0.373 nan 8.280 nan 0.000 0.521 31 P HA 0.179 nan 4.420 nan 0.000 0.272 31 P C -2.564 174.524 177.300 -0.354 0.000 1.240 31 P CA -1.273 61.599 63.100 -0.380 0.000 0.791 31 P CB -0.199 31.207 31.700 -0.491 0.000 0.978 32 P HA 0.003 nan 4.420 nan 0.000 0.260 32 P C -0.837 176.629 177.300 0.276 0.000 1.172 32 P CA 1.099 64.218 63.100 0.032 0.000 0.760 32 P CB -0.121 31.652 31.700 0.123 0.000 0.773 33 F N 1.917 121.980 119.950 0.189 0.000 2.523 33 F HA 0.636 5.163 4.527 0.000 0.000 0.329 33 F C 1.008 176.745 175.800 -0.105 0.000 1.061 33 F CA -1.372 56.680 58.000 0.087 0.000 0.967 33 F CB 1.293 40.310 39.000 0.027 0.000 1.218 33 F HN 0.305 nan 8.300 nan 0.000 0.480 34 A N 0.037 122.779 122.820 -0.130 0.000 2.591 34 A HA 0.311 4.631 4.320 0.000 0.000 0.204 34 A C 0.585 177.833 177.584 -0.560 0.000 1.410 34 A CA 0.605 52.312 52.037 -0.550 0.000 1.065 34 A CB -0.389 17.806 19.000 -1.341 0.000 1.362 34 A HN 0.874 nan 8.150 nan 0.000 0.566 35 S N 0.693 116.178 115.700 -0.358 0.000 3.405 35 S HA -0.149 4.321 4.470 0.000 0.000 0.373 35 S C -0.094 174.406 174.600 -0.167 0.000 0.939 35 S CA 0.399 58.461 58.200 -0.230 0.000 1.295 35 S CB -1.562 61.509 63.200 -0.215 0.000 0.919 35 S HN 0.442 nan 8.310 nan 0.000 0.535 36 W N 2.724 124.005 121.300 -0.030 0.000 2.181 36 W HA 0.233 4.893 4.660 -0.000 0.000 0.335 36 W C 1.339 177.840 176.519 -0.029 0.000 1.310 36 W CA -0.624 56.709 57.345 -0.019 0.000 1.226 36 W CB 0.274 29.724 29.460 -0.018 0.000 1.155 36 W HN 0.405 nan 8.180 nan 0.000 0.565 37 R N 2.059 122.681 120.500 0.202 0.000 2.507 37 R HA 0.081 4.421 4.340 0.000 0.000 0.298 37 R C -0.024 176.337 176.300 0.101 0.000 0.999 37 R CA -0.097 56.070 56.100 0.113 0.000 1.082 37 R CB -0.181 30.158 30.300 0.065 0.000 1.246 37 R HN 0.368 nan 8.270 nan 0.000 0.553 38 N N 0.137 118.916 118.700 0.131 0.000 2.500 38 N HA 0.109 4.849 4.740 0.000 0.000 0.291 38 N C -0.087 175.412 175.510 -0.018 0.000 1.092 38 N CA 0.005 53.085 53.050 0.050 0.000 0.890 38 N CB 1.781 40.295 38.487 0.046 0.000 1.466 38 N HN -0.252 nan 8.380 nan 0.000 0.507 39 S N 2.345 118.013 115.700 -0.053 0.000 2.370 39 S HA -0.177 4.293 4.470 0.000 0.000 0.226 39 S C 1.416 175.876 174.600 -0.235 0.000 1.033 39 S CA 1.291 59.423 58.200 -0.114 0.000 1.011 39 S CB -0.032 63.128 63.200 -0.068 0.000 0.852 39 S HN 0.735 nan 8.310 nan 0.000 0.457 40 E N 1.480 121.553 120.200 -0.212 0.000 2.110 40 E HA -0.141 4.209 4.350 0.000 0.000 0.193 40 E C 1.849 178.245 176.600 -0.340 0.000 0.988 40 E CA 1.328 57.560 56.400 -0.279 0.000 0.804 40 E CB -0.202 29.383 29.700 -0.192 0.000 0.745 40 E HN 0.578 nan 8.360 nan 0.000 0.458 41 E N -0.263 119.753 120.200 -0.307 0.000 2.110 41 E HA -0.186 4.164 4.350 0.000 0.000 0.193 41 E C 2.012 178.044 176.600 -0.947 0.000 0.988 41 E CA 0.957 57.126 56.400 -0.384 0.000 0.804 41 E CB -0.205 29.426 29.700 -0.116 0.000 0.745 41 E HN 0.381 nan 8.360 nan 0.000 0.458 42 A N 1.556 123.633 122.820 -1.238 0.000 1.877 42 A HA -0.211 4.109 4.320 0.000 0.000 0.216 42 A C 2.109 179.117 177.584 -0.960 0.000 1.186 42 A CA 1.484 52.492 52.037 -1.715 0.000 0.620 42 A CB -0.466 18.021 19.000 -0.856 0.000 0.822 42 A HN 0.079 nan 8.150 nan 0.000 0.443 43 R N -0.303 119.812 120.500 -0.640 0.000 2.091 43 R HA -0.143 4.197 4.340 0.000 0.000 0.238 43 R C 1.887 177.919 176.300 -0.447 0.000 1.136 43 R CA 2.089 57.855 56.100 -0.557 0.000 0.959 43 R CB -0.418 29.426 30.300 -0.759 0.000 0.856 43 R HN 0.646 nan 8.270 nan 0.000 0.437 44 T N -2.795 111.512 114.554 -0.413 0.000 3.107 44 T HA 0.057 4.407 4.350 0.000 0.000 0.249 44 T C 0.247 174.841 174.700 -0.176 0.000 1.096 44 T CA 0.420 62.363 62.100 -0.261 0.000 1.012 44 T CB 0.132 68.872 68.868 -0.213 0.000 0.977 44 T HN 0.323 nan 8.240 nan 0.000 0.527 45 D N 1.093 121.345 120.400 -0.246 0.000 2.837 45 D HA -0.168 4.472 4.640 0.000 0.000 0.230 45 D C -0.025 176.352 176.300 0.129 0.000 1.152 45 D CA 0.420 54.399 54.000 -0.035 0.000 0.736 45 D CB -1.100 39.737 40.800 0.063 0.000 1.084 45 D HN 0.570 nan 8.370 nan 0.000 0.429 46 R N 0.085 120.627 120.500 0.070 0.000 2.641 46 R HA 0.372 4.712 4.340 0.000 0.000 0.269 46 R C -2.101 174.443 176.300 0.407 0.000 1.074 46 R CA -1.256 54.948 56.100 0.174 0.000 1.133 46 R CB 0.209 30.559 30.300 0.084 0.000 1.029 46 R HN 0.100 nan 8.270 nan 0.000 0.488 47 P HA -0.065 nan 4.420 nan 0.000 0.266 47 P C -0.692 176.767 177.300 0.266 0.000 1.195 47 P CA 0.343 63.590 63.100 0.244 0.000 0.768 47 P CB 0.708 32.497 31.700 0.150 0.000 0.838 48 S N 1.922 117.675 115.700 0.088 0.000 2.462 48 S HA 0.100 4.570 4.470 0.000 0.000 0.294 48 S C 1.061 175.673 174.600 0.021 0.000 1.144 48 S CA -0.523 57.642 58.200 -0.058 0.000 1.088 48 S CB 0.356 63.185 63.200 -0.618 0.000 1.009 48 S HN 0.276 nan 8.310 nan 0.000 0.484 49 Q N 2.696 122.546 119.800 0.083 0.000 2.364 49 Q HA -0.087 4.253 4.340 0.000 0.000 0.209 49 Q C 0.971 177.101 176.000 0.217 0.000 0.977 49 Q CA 1.327 57.214 55.803 0.141 0.000 0.885 49 Q CB -0.029 28.794 28.738 0.142 0.000 0.941 49 Q HN 0.720 nan 8.270 nan 0.000 0.464 50 Q N -0.484 119.361 119.800 0.076 0.000 2.403 50 Q HA 0.090 4.430 4.340 0.000 0.000 0.203 50 Q C -0.208 175.824 176.000 0.054 0.000 0.932 50 Q CA 0.147 55.941 55.803 -0.014 0.000 0.945 50 Q CB 0.424 29.056 28.738 -0.177 0.000 1.045 50 Q HN 0.027 nan 8.270 nan 0.000 0.511 51 L N 0.944 122.215 121.223 0.081 0.000 2.324 51 L HA 0.404 4.744 4.340 0.000 0.000 0.274 51 L C -1.144 175.813 176.870 0.146 0.000 1.012 51 L CA -0.312 54.583 54.840 0.091 0.000 0.859 51 L CB 0.878 42.910 42.059 -0.045 0.000 1.224 51 L HN -0.129 nan 8.230 nan 0.000 0.429 52 R N 2.565 123.195 120.500 0.216 0.000 2.346 52 R HA 0.479 4.819 4.340 0.000 0.000 0.311 52 R C -0.359 175.973 176.300 0.053 0.000 0.983 52 R CA -0.553 55.619 56.100 0.120 0.000 0.880 52 R CB 1.835 32.176 30.300 0.070 0.000 1.100 52 R HN 0.653 nan 8.270 nan 0.000 0.453 53 S N 2.873 118.592 115.700 0.032 0.000 2.523 53 S HA 0.207 4.677 4.470 0.000 0.000 0.275 53 S C 0.777 175.381 174.600 0.006 0.000 1.281 53 S CA -0.559 57.649 58.200 0.013 0.000 1.050 53 S CB 0.445 63.661 63.200 0.027 0.000 0.937 53 S HN 0.551 nan 8.310 nan 0.000 0.492 54 L N 3.846 125.068 121.223 -0.001 0.000 2.818 54 L HA 0.288 4.628 4.340 0.000 0.000 0.243 54 L C 0.150 177.160 176.870 0.234 0.000 1.185 54 L CA -0.409 54.455 54.840 0.040 0.000 0.988 54 L CB -0.362 41.658 42.059 -0.066 0.000 1.292 54 L HN 0.499 nan 8.230 nan 0.000 0.519 55 N N 1.358 120.142 118.700 0.141 0.000 2.479 55 N HA 0.477 5.217 4.740 0.000 0.000 0.257 55 N C 0.666 176.295 175.510 0.198 0.000 1.232 55 N CA 0.974 54.111 53.050 0.143 0.000 0.920 55 N CB 1.310 39.821 38.487 0.041 0.000 1.105 55 N HN 0.311 nan 8.380 nan 0.000 0.444 56 G N 0.647 109.587 108.800 0.234 0.000 2.240 56 G HA2 -0.091 3.869 3.960 0.000 0.000 0.199 56 G HA3 -0.091 3.869 3.960 0.000 0.000 0.199 56 G C -1.510 173.597 174.900 0.346 0.000 1.342 56 G CA -0.805 44.429 45.100 0.224 0.000 1.145 56 G HN 0.470 nan 8.290 nan 0.000 0.477 57 E N 0.311 120.683 120.200 0.286 0.000 2.180 57 E HA 0.411 4.761 4.350 0.000 0.000 0.283 57 E C -0.969 175.865 176.600 0.390 0.000 1.061 57 E CA -0.019 56.554 56.400 0.288 0.000 0.861 57 E CB 0.827 30.625 29.700 0.162 0.000 1.056 57 E HN 0.332 nan 8.360 nan 0.000 0.407 58 W N 1.837 123.226 121.300 0.149 0.000 2.762 58 W HA 0.379 5.039 4.660 -0.000 0.000 0.355 58 W C 0.263 176.908 176.519 0.210 0.000 1.124 58 W CA -0.737 56.729 57.345 0.203 0.000 1.141 58 W CB 0.850 30.487 29.460 0.295 0.000 1.432 58 W HN 0.185 nan 8.180 nan 0.000 0.586 59 R N 1.583 122.358 120.500 0.457 0.000 2.474 59 R HA 0.587 4.927 4.340 0.000 0.000 0.295 59 R C -1.511 175.035 176.300 0.410 0.000 0.980 59 R CA -0.893 55.417 56.100 0.350 0.000 0.934 59 R CB 1.344 31.793 30.300 0.249 0.000 1.101 59 R HN 0.482 nan 8.270 nan 0.000 0.469 60 F N 0.489 120.484 119.950 0.074 0.000 2.581 60 F HA 0.612 5.139 4.527 -0.000 0.000 0.311 60 F C -1.525 174.138 175.800 -0.229 0.000 1.113 60 F CA -0.580 57.318 58.000 -0.170 0.000 0.935 60 F CB 1.992 40.785 39.000 -0.345 0.000 1.232 60 F HN 0.623 nan 8.300 nan 0.000 0.445 61 A N 4.776 126.871 122.820 -1.208 0.000 2.398 61 A HA 0.537 4.857 4.320 0.000 0.000 0.301 61 A C -2.311 174.330 177.584 -1.572 0.000 1.041 61 A CA -0.511 50.875 52.037 -1.084 0.000 0.711 61 A CB 0.647 19.277 19.000 -0.617 0.000 1.240 61 A HN 0.934 nan 8.150 nan 0.000 0.420 62 W N 2.965 123.399 121.300 -1.443 0.000 2.365 62 W HA 0.714 5.374 4.660 0.000 0.000 0.316 62 W C -1.664 174.198 176.519 -1.095 0.000 1.164 62 W CA -0.121 56.532 57.345 -1.153 0.000 1.204 62 W CB 0.811 29.878 29.460 -0.656 0.000 1.213 62 W HN 0.490 nan 8.180 nan 0.000 0.539 63 F N 6.606 125.846 119.950 -1.184 0.000 2.576 63 F HA 0.352 4.879 4.527 0.000 0.000 0.313 63 F C -1.218 173.697 175.800 -1.475 0.000 1.078 63 F CA -2.175 55.237 58.000 -0.979 0.000 0.921 63 F CB 1.932 40.529 39.000 -0.671 0.000 1.232 63 F HN 0.225 nan 8.300 nan 0.000 0.459 64 P HA 0.089 nan 4.420 nan 0.000 0.225 64 P C -0.300 176.853 177.300 -0.244 0.000 1.156 64 P CA 0.868 63.682 63.100 -0.477 0.000 0.787 64 P CB 0.732 32.418 31.700 -0.022 0.000 0.802 65 A N -0.455 122.235 122.820 -0.216 0.000 2.608 65 A HA 0.525 4.845 4.320 0.000 0.000 0.292 65 A C -2.401 175.066 177.584 -0.195 0.000 1.066 65 A CA -1.082 50.877 52.037 -0.130 0.000 0.676 65 A CB 0.528 19.517 19.000 -0.019 0.000 1.277 65 A HN -0.277 nan 8.150 nan 0.000 0.413 66 P HA -0.122 nan 4.420 nan 0.000 0.220 66 P C 0.617 177.817 177.300 -0.167 0.000 1.148 66 P CA 1.432 64.390 63.100 -0.238 0.000 0.803 66 P CB 0.281 31.801 31.700 -0.300 0.000 0.782 67 E N 0.190 120.345 120.200 -0.075 0.000 2.274 67 E HA -0.004 4.346 4.350 0.000 0.000 0.194 67 E C 2.058 178.580 176.600 -0.129 0.000 0.996 67 E CA 1.021 57.388 56.400 -0.055 0.000 0.840 67 E CB -0.747 28.960 29.700 0.012 0.000 0.772 67 E HN 0.231 nan 8.360 nan 0.000 0.491 68 A N 0.461 123.168 122.820 -0.189 0.000 2.238 68 A HA 0.082 4.402 4.320 0.000 0.000 0.208 68 A C 0.698 177.963 177.584 -0.532 0.000 1.177 68 A CA -0.100 51.813 52.037 -0.207 0.000 0.804 68 A CB 0.198 19.168 19.000 -0.050 0.000 0.823 68 A HN 0.038 nan 8.150 nan 0.000 0.482 69 V N 3.473 122.942 119.914 -0.740 0.000 2.439 69 V HA 0.168 4.288 4.120 0.000 0.000 0.271 69 V C -2.008 173.755 176.094 -0.551 0.000 1.040 69 V CA -1.383 60.270 62.300 -1.078 0.000 1.002 69 V CB 0.435 31.716 31.823 -0.903 0.000 1.000 69 V HN 0.360 nan 8.190 nan 0.000 0.477 70 P HA 0.207 nan 4.420 nan 0.000 0.271 70 P C 0.336 177.576 177.300 -0.100 0.000 1.216 70 P CA -0.299 62.693 63.100 -0.180 0.000 0.771 70 P CB 1.266 32.917 31.700 -0.080 0.000 0.864 71 E N 1.251 121.405 120.200 -0.077 0.000 2.209 71 E HA -0.182 4.168 4.350 0.000 0.000 0.196 71 E C 1.952 178.521 176.600 -0.051 0.000 0.993 71 E CA 1.947 58.307 56.400 -0.068 0.000 0.819 71 E CB -0.575 29.092 29.700 -0.055 0.000 0.745 71 E HN 0.579 nan 8.360 nan 0.000 0.477 72 S N -0.498 115.193 115.700 -0.015 0.000 2.423 72 S HA -0.193 4.277 4.470 0.000 0.000 0.231 72 S C 1.797 176.405 174.600 0.014 0.000 1.014 72 S CA 0.681 58.878 58.200 -0.005 0.000 0.965 72 S CB -0.710 62.499 63.200 0.015 0.000 0.785 72 S HN 0.562 nan 8.310 nan 0.000 0.495 73 W N 2.550 123.761 121.300 -0.148 0.000 2.364 73 W HA 0.007 4.667 4.660 0.000 0.000 0.281 73 W C 1.556 177.967 176.519 -0.181 0.000 1.219 73 W CA 1.000 58.257 57.345 -0.146 0.000 1.220 73 W CB -0.350 29.002 29.460 -0.181 0.000 1.127 73 W HN 0.277 nan 8.180 nan 0.000 0.556 74 L N 0.208 121.192 121.223 -0.399 0.000 2.093 74 L HA -0.159 4.181 4.340 0.000 0.000 0.208 74 L C 2.487 179.131 176.870 -0.377 0.000 1.085 74 L CA 1.248 55.718 54.840 -0.617 0.000 0.755 74 L CB -0.785 40.930 42.059 -0.573 0.000 0.904 74 L HN -0.055 nan 8.230 nan 0.000 0.435 75 E N -0.536 119.529 120.200 -0.225 0.000 2.127 75 E HA 0.013 4.363 4.350 0.000 0.000 0.191 75 E C 0.655 177.184 176.600 -0.118 0.000 0.964 75 E CA 0.775 57.096 56.400 -0.133 0.000 0.832 75 E CB 0.415 30.069 29.700 -0.077 0.000 0.790 75 E HN 0.548 nan 8.360 nan 0.000 0.465 76 C N -0.555 118.678 119.300 -0.111 0.000 3.318 76 C HA 0.516 4.976 4.460 0.000 0.000 0.322 76 C C -0.379 174.589 174.990 -0.037 0.000 1.398 76 C CA -1.473 57.502 59.018 -0.071 0.000 1.339 76 C CB 1.051 28.772 27.740 -0.032 0.000 1.668 76 C HN 0.114 nan 8.230 nan 0.000 0.462 77 D N 0.660 121.060 120.400 -0.000 0.000 2.493 77 D HA 0.307 4.947 4.640 0.000 0.000 0.240 77 D C -0.126 176.239 176.300 0.108 0.000 1.142 77 D CA 0.352 54.394 54.000 0.069 0.000 0.872 77 D CB 0.454 41.290 40.800 0.059 0.000 1.173 77 D HN 0.583 nan 8.370 nan 0.000 0.467 78 L N 6.119 127.455 121.223 0.188 0.000 2.380 78 L HA 0.216 4.556 4.340 0.000 0.000 0.273 78 L C -0.973 175.957 176.870 0.099 0.000 1.138 78 L CA -1.331 53.602 54.840 0.155 0.000 0.832 78 L CB 1.063 43.239 42.059 0.195 0.000 1.124 78 L HN 0.553 nan 8.230 nan 0.000 0.454 79 P HA -0.137 nan 4.420 nan 0.000 0.219 79 P C 0.680 178.006 177.300 0.044 0.000 1.150 79 P CA 1.105 64.236 63.100 0.051 0.000 0.814 79 P CB 0.290 32.014 31.700 0.040 0.000 0.787 80 E N 0.348 120.570 120.200 0.036 0.000 2.347 80 E HA 0.104 4.454 4.350 0.000 0.000 0.196 80 E C 1.160 177.762 176.600 0.003 0.000 1.008 80 E CA 0.237 56.643 56.400 0.010 0.000 0.852 80 E CB -0.674 29.015 29.700 -0.017 0.000 0.783 80 E HN 0.253 nan 8.360 nan 0.000 0.505 81 A N 1.405 124.239 122.820 0.023 0.000 2.425 81 A HA 0.140 4.460 4.320 0.000 0.000 0.242 81 A C -0.131 177.505 177.584 0.086 0.000 1.077 81 A CA -0.293 51.762 52.037 0.031 0.000 0.781 81 A CB 0.351 19.396 19.000 0.075 0.000 1.020 81 A HN -0.053 nan 8.150 nan 0.000 0.494 82 D N 0.204 120.687 120.400 0.138 0.000 2.326 82 D HA 0.462 5.102 4.640 0.000 0.000 0.248 82 D C -0.581 175.832 176.300 0.188 0.000 1.001 82 D CA -0.015 54.086 54.000 0.168 0.000 0.961 82 D CB 1.370 42.310 40.800 0.233 0.000 1.183 82 D HN 0.400 nan 8.370 nan 0.000 0.502 83 T N 0.631 115.274 114.554 0.148 0.000 2.727 83 T HA 0.438 4.788 4.350 0.000 0.000 0.298 83 T C 0.305 175.087 174.700 0.137 0.000 0.942 83 T CA -0.596 61.598 62.100 0.156 0.000 0.997 83 T CB 0.417 69.354 68.868 0.114 0.000 0.917 83 T HN 0.255 nan 8.240 nan 0.000 0.487 84 V N 1.477 121.505 119.914 0.191 0.000 2.960 84 V HA 0.784 4.904 4.120 0.000 0.000 0.315 84 V C -0.113 176.094 176.094 0.188 0.000 1.087 84 V CA -1.059 61.312 62.300 0.119 0.000 0.982 84 V CB 1.675 33.567 31.823 0.115 0.000 1.039 84 V HN 0.496 nan 8.190 nan 0.000 0.437 85 V N 2.726 122.721 119.914 0.135 0.000 2.583 85 V HA 0.464 4.584 4.120 0.000 0.000 0.287 85 V C 0.115 176.285 176.094 0.127 0.000 1.051 85 V CA -0.089 62.299 62.300 0.147 0.000 1.010 85 V CB 1.264 33.144 31.823 0.096 0.000 0.988 85 V HN 0.753 nan 8.190 nan 0.000 0.478 86 V N 7.051 126.975 119.914 0.015 0.000 2.604 86 V HA 0.453 4.573 4.120 0.000 0.000 0.305 86 V C -2.262 173.732 176.094 -0.165 0.000 1.043 86 V CA -1.783 60.389 62.300 -0.213 0.000 0.888 86 V CB 2.475 33.812 31.823 -0.810 0.000 0.995 86 V HN 0.764 nan 8.190 nan 0.000 0.429 87 P HA 0.353 nan 4.420 nan 0.000 0.275 87 P C -0.787 176.459 177.300 -0.090 0.000 1.228 87 P CA 0.000 62.992 63.100 -0.180 0.000 0.786 87 P CB 1.302 32.905 31.700 -0.161 0.000 0.927 88 S N 0.853 116.513 115.700 -0.066 0.000 2.552 88 S HA 0.393 4.863 4.470 0.000 0.000 0.272 88 S C -1.126 173.427 174.600 -0.078 0.000 1.150 88 S CA -1.042 57.117 58.200 -0.067 0.000 0.849 88 S CB 0.430 63.604 63.200 -0.044 0.000 1.113 88 S HN 0.333 nan 8.310 nan 0.000 0.458 89 N N 1.262 119.853 118.700 -0.181 0.000 2.434 89 N HA 0.400 5.140 4.740 0.000 0.000 0.272 89 N C 0.562 175.900 175.510 -0.286 0.000 1.040 89 N CA -0.720 52.176 53.050 -0.256 0.000 0.956 89 N CB 0.539 38.834 38.487 -0.319 0.000 1.108 89 N HN 0.874 nan 8.380 nan 0.000 0.481 90 W N 2.302 123.485 121.300 -0.194 0.000 2.525 90 W HA 0.004 4.664 4.660 -0.000 0.000 0.259 90 W C 0.929 177.439 176.519 -0.015 0.000 1.253 90 W CA 0.484 57.706 57.345 -0.204 0.000 1.262 90 W CB -0.349 28.927 29.460 -0.306 0.000 1.122 90 W HN 0.503 nan 8.180 nan 0.000 0.607 91 Q N 0.511 120.290 119.800 -0.035 0.000 2.224 91 Q HA -0.100 4.240 4.340 0.000 0.000 0.203 91 Q C 2.119 178.071 176.000 -0.079 0.000 0.970 91 Q CA 1.692 57.483 55.803 -0.020 0.000 0.865 91 Q CB -0.506 28.110 28.738 -0.204 0.000 0.922 91 Q HN 0.235 nan 8.270 nan 0.000 0.445 92 M N -0.756 118.733 119.600 -0.185 0.000 2.619 92 M HA -0.031 4.449 4.480 0.000 0.000 0.251 92 M C 0.461 176.744 176.300 -0.028 0.000 1.106 92 M CA 1.304 56.497 55.300 -0.179 0.000 1.086 92 M CB -0.494 31.954 32.600 -0.252 0.000 1.465 92 M HN 0.366 nan 8.290 nan 0.000 0.506 93 H N -1.015 118.092 119.070 0.062 0.000 2.652 93 H HA 0.337 4.893 4.556 0.000 0.000 0.274 93 H C 1.060 176.310 175.328 -0.129 0.000 1.021 93 H CA 0.066 56.130 56.048 0.027 0.000 1.187 93 H CB 0.491 30.344 29.762 0.152 0.000 1.505 93 H HN 0.510 nan 8.280 nan 0.000 0.530 94 G N 0.645 109.469 108.800 0.039 0.000 2.171 94 G HA2 -0.344 3.616 3.960 0.000 0.000 0.238 94 G HA3 -0.344 3.616 3.960 0.000 0.000 0.238 94 G C 0.117 174.899 174.900 -0.197 0.000 1.039 94 G CA 0.239 45.297 45.100 -0.069 0.000 0.759 94 G HN 0.482 nan 8.290 nan 0.000 0.501 95 Y N 1.021 121.329 120.300 0.013 0.000 2.314 95 Y HA 0.256 4.806 4.550 0.000 0.000 0.294 95 Y C 1.591 177.233 175.900 -0.429 0.000 1.119 95 Y CA 1.371 59.346 58.100 -0.208 0.000 1.179 95 Y CB 0.384 38.786 38.460 -0.095 0.000 1.025 95 Y HN 0.581 nan 8.280 nan 0.000 0.541 96 D N -1.403 119.045 120.400 0.081 0.000 2.626 96 D HA 0.466 5.106 4.640 0.000 0.000 0.278 96 D C -1.049 175.335 176.300 0.140 0.000 1.211 96 D CA -1.028 53.015 54.000 0.072 0.000 0.903 96 D CB 0.915 41.865 40.800 0.249 0.000 1.408 96 D HN -0.040 nan 8.370 nan 0.000 0.454 97 A N 0.394 123.307 122.820 0.154 0.000 2.409 97 A HA 0.563 4.883 4.320 0.000 0.000 0.262 97 A C -2.171 175.477 177.584 0.107 0.000 1.113 97 A CA -1.081 51.050 52.037 0.157 0.000 0.790 97 A CB -0.215 18.922 19.000 0.228 0.000 1.046 97 A HN 0.495 nan 8.150 nan 0.000 0.496 98 P HA 0.227 nan 4.420 nan 0.000 0.275 98 P C -0.511 176.950 177.300 0.269 0.000 1.276 98 P CA 0.303 63.391 63.100 -0.020 0.000 0.782 98 P CB 0.176 31.658 31.700 -0.363 0.000 0.851 99 I N 4.445 125.184 120.570 0.281 0.000 2.575 99 I HA 0.184 4.354 4.170 0.000 0.000 0.285 99 I C 0.280 176.566 176.117 0.282 0.000 1.085 99 I CA -0.370 61.110 61.300 0.300 0.000 1.403 99 I CB 0.139 38.311 38.000 0.287 0.000 1.409 99 I HN 0.344 nan 8.210 nan 0.000 0.557 100 Y N 4.874 125.171 120.300 -0.005 0.000 2.406 100 Y HA 0.571 5.121 4.550 -0.000 0.000 0.340 100 Y C -0.548 175.265 175.900 -0.144 0.000 0.975 100 Y CA -0.593 57.356 58.100 -0.252 0.000 1.056 100 Y CB 1.925 39.909 38.460 -0.793 0.000 1.210 100 Y HN 0.608 nan 8.280 nan 0.000 0.448 101 T N 5.073 119.094 114.554 -0.887 0.000 2.923 101 T HA 0.282 4.632 4.350 0.000 0.000 0.311 101 T C -0.532 173.696 174.700 -0.787 0.000 1.183 101 T CA -0.584 61.058 62.100 -0.764 0.000 1.020 101 T CB 1.547 70.212 68.868 -0.340 0.000 1.165 101 T HN 0.919 nan 8.240 nan 0.000 0.482 102 N N 1.683 120.011 118.700 -0.620 0.000 2.255 102 N HA 0.015 4.755 4.740 0.000 0.000 0.192 102 N C 1.488 176.819 175.510 -0.298 0.000 1.049 102 N CA 1.082 53.871 53.050 -0.435 0.000 0.886 102 N CB 0.191 38.416 38.487 -0.437 0.000 1.064 102 N HN 0.420 nan 8.380 nan 0.000 0.457 103 V N 0.715 120.429 119.914 -0.332 0.000 2.521 103 V HA 0.055 4.175 4.120 0.000 0.000 0.239 103 V C 0.712 176.562 176.094 -0.407 0.000 1.053 103 V CA 0.734 62.807 62.300 -0.378 0.000 1.073 103 V CB -0.189 31.365 31.823 -0.449 0.000 0.746 103 V HN 0.277 nan 8.190 nan 0.000 0.476 104 T N -0.006 114.357 114.554 -0.317 0.000 2.898 104 T HA 0.280 4.630 4.350 0.000 0.000 0.301 104 T C -0.398 174.174 174.700 -0.214 0.000 1.049 104 T CA -0.011 61.951 62.100 -0.229 0.000 1.095 104 T CB 0.300 69.075 68.868 -0.155 0.000 0.976 104 T HN 0.155 nan 8.240 nan 0.000 0.539 105 Y N 2.992 123.200 120.300 -0.154 0.000 2.578 105 Y HA 0.120 4.670 4.550 -0.000 0.000 0.339 105 Y C -0.737 175.060 175.900 -0.171 0.000 1.231 105 Y CA -1.494 56.514 58.100 -0.153 0.000 1.461 105 Y CB 0.535 38.901 38.460 -0.156 0.000 1.323 105 Y HN 0.511 nan 8.280 nan 0.000 0.590 106 P HA -0.056 nan 4.420 nan 0.000 0.233 106 P C -0.228 176.932 177.300 -0.233 0.000 1.167 106 P CA 1.239 64.298 63.100 -0.068 0.000 0.770 106 P CB 0.101 31.832 31.700 0.053 0.000 0.837 107 I N -4.787 115.584 120.570 -0.331 0.000 3.170 107 I HA 0.480 4.650 4.170 0.000 0.000 0.312 107 I C -0.495 175.483 176.117 -0.232 0.000 1.085 107 I CA -1.287 59.749 61.300 -0.441 0.000 0.999 107 I CB 1.239 38.751 38.000 -0.813 0.000 1.233 107 I HN -0.466 nan 8.210 nan 0.000 0.467 108 T N 2.551 116.994 114.554 -0.185 0.000 2.853 108 T HA 0.181 4.531 4.350 0.000 0.000 0.298 108 T C 0.220 174.876 174.700 -0.074 0.000 0.978 108 T CA -0.332 61.713 62.100 -0.090 0.000 1.152 108 T CB 0.446 69.285 68.868 -0.048 0.000 0.914 108 T HN 0.376 nan 8.240 nan 0.000 0.539 109 V N 4.821 124.705 119.914 -0.050 0.000 2.341 109 V HA 0.207 4.327 4.120 0.000 0.000 0.248 109 V C 0.649 176.753 176.094 0.017 0.000 1.107 109 V CA -0.278 62.001 62.300 -0.035 0.000 1.069 109 V CB -0.799 31.006 31.823 -0.030 0.000 1.177 109 V HN 0.843 nan 8.190 nan 0.000 0.492 110 N N 5.537 124.292 118.700 0.092 0.000 2.722 110 N HA 0.309 5.049 4.740 0.000 0.000 0.242 110 N C -2.843 172.722 175.510 0.093 0.000 1.398 110 N CA -1.131 51.971 53.050 0.086 0.000 0.755 110 N CB 1.881 40.436 38.487 0.113 0.000 1.268 110 N HN 0.283 nan 8.380 nan 0.000 0.522 111 P HA 0.230 nan 4.420 nan 0.000 0.268 111 P C -2.221 174.980 177.300 -0.165 0.000 1.205 111 P CA -0.815 61.963 63.100 -0.537 0.000 0.771 111 P CB 0.788 32.053 31.700 -0.725 0.000 0.858 112 P HA 0.245 nan 4.420 nan 0.000 0.263 112 P C -0.383 176.885 177.300 -0.054 0.000 1.448 112 P CA -0.300 62.671 63.100 -0.216 0.000 0.983 112 P CB -0.032 31.519 31.700 -0.249 0.000 1.481 113 F N 1.109 121.157 119.950 0.162 0.000 2.389 113 F HA 0.244 4.771 4.527 0.000 0.000 0.337 113 F C 1.383 177.336 175.800 0.256 0.000 1.112 113 F CA -0.688 57.418 58.000 0.178 0.000 1.192 113 F CB 0.829 39.881 39.000 0.087 0.000 1.185 113 F HN -0.211 nan 8.300 nan 0.000 0.552 114 V N 0.151 120.319 119.914 0.423 0.000 3.096 114 V HA 0.677 4.797 4.120 0.000 0.000 0.319 114 V C -2.657 173.577 176.094 0.233 0.000 1.103 114 V CA -2.944 59.526 62.300 0.283 0.000 1.016 114 V CB 1.136 33.186 31.823 0.379 0.000 1.090 114 V HN 0.484 nan 8.190 nan 0.000 0.449 115 P HA 0.170 nan 4.420 nan 0.000 0.266 115 P C 1.128 178.555 177.300 0.211 0.000 1.195 115 P CA 0.551 63.723 63.100 0.121 0.000 0.768 115 P CB 0.580 32.314 31.700 0.057 0.000 0.838 116 T N -1.005 113.650 114.554 0.168 0.000 2.788 116 T HA -0.117 4.233 4.350 0.000 0.000 0.268 116 T C 0.655 175.461 174.700 0.175 0.000 1.044 116 T CA 0.969 63.174 62.100 0.175 0.000 1.139 116 T CB -0.480 68.459 68.868 0.117 0.000 0.867 116 T HN 0.294 nan 8.240 nan 0.000 0.454 117 E N 3.175 123.476 120.200 0.168 0.000 1.858 117 E HA 0.239 4.589 4.350 0.000 0.000 0.267 117 E C -0.689 176.063 176.600 0.253 0.000 1.215 117 E CA -0.071 56.435 56.400 0.177 0.000 0.952 117 E CB 0.073 29.881 29.700 0.179 0.000 1.058 117 E HN 0.380 nan 8.360 nan 0.000 0.407 118 N N 3.931 122.752 118.700 0.202 0.000 2.626 118 N HA 0.235 4.975 4.740 0.000 0.000 0.249 118 N C -2.821 172.712 175.510 0.039 0.000 1.021 118 N CA -2.419 50.779 53.050 0.247 0.000 0.886 118 N CB 1.012 39.637 38.487 0.229 0.000 1.149 118 N HN -0.061 nan 8.380 nan 0.000 0.517 119 P HA -0.025 nan 4.420 nan 0.000 0.257 119 P C -0.846 176.328 177.300 -0.211 0.000 1.162 119 P CA 0.639 63.670 63.100 -0.116 0.000 0.762 119 P CB 0.354 32.286 31.700 0.386 0.000 0.753 120 T N 3.072 117.245 114.554 -0.636 0.000 2.786 120 T HA 0.535 4.885 4.350 0.000 0.000 0.283 120 T C 0.342 174.550 174.700 -0.819 0.000 0.992 120 T CA -0.542 61.256 62.100 -0.503 0.000 0.954 120 T CB 1.439 70.060 68.868 -0.412 0.000 0.934 120 T HN 0.317 nan 8.240 nan 0.000 0.440 121 G N 1.287 109.691 108.800 -0.659 0.000 2.377 121 G HA2 0.453 4.413 3.960 0.000 0.000 0.316 121 G HA3 0.453 4.413 3.960 0.000 0.000 0.316 121 G C -0.152 174.556 174.900 -0.320 0.000 1.115 121 G CA -0.345 44.319 45.100 -0.726 0.000 0.952 121 G HN 0.862 nan 8.290 nan 0.000 0.441 122 C N 3.431 122.281 119.300 -0.750 0.000 2.225 122 C HA 0.424 4.884 4.460 0.000 0.000 0.328 122 C C -0.428 174.524 174.990 -0.064 0.000 1.187 122 C CA -0.866 57.836 59.018 -0.528 0.000 1.665 122 C CB -1.767 25.255 27.740 -1.197 0.000 2.253 122 C HN 0.630 nan 8.230 nan 0.000 0.497 123 Y N 2.126 122.739 120.300 0.523 0.000 2.361 123 Y HA 0.593 5.143 4.550 0.000 0.000 0.332 123 Y C 0.829 177.203 175.900 0.790 0.000 1.101 123 Y CA -0.046 58.478 58.100 0.706 0.000 1.137 123 Y CB 1.444 40.306 38.460 0.669 0.000 1.207 123 Y HN 0.681 nan 8.280 nan 0.000 0.463 124 S N 2.623 118.799 115.700 0.793 0.000 2.579 124 S HA 0.819 5.289 4.470 0.000 0.000 0.272 124 S C -1.866 172.760 174.600 0.043 0.000 1.141 124 S CA -0.841 57.581 58.200 0.370 0.000 0.843 124 S CB 2.231 65.555 63.200 0.206 0.000 1.122 124 S HN 0.575 nan 8.310 nan 0.000 0.468 125 L N 0.951 122.018 121.223 -0.260 0.000 2.493 125 L HA 0.683 5.023 4.340 0.000 0.000 0.265 125 L C -1.073 175.736 176.870 -0.102 0.000 0.954 125 L CA 0.098 54.651 54.840 -0.479 0.000 0.844 125 L CB 2.278 43.544 42.059 -1.322 0.000 1.302 125 L HN 0.900 nan 8.230 nan 0.000 0.405 126 T N 5.771 120.295 114.554 -0.050 0.000 2.767 126 T HA 0.705 5.055 4.350 0.000 0.000 0.288 126 T C -0.724 174.021 174.700 0.074 0.000 0.963 126 T CA 0.039 62.145 62.100 0.010 0.000 1.019 126 T CB 0.165 69.007 68.868 -0.043 0.000 0.923 126 T HN 0.455 nan 8.240 nan 0.000 0.468 127 F N 0.701 120.560 119.950 -0.151 0.000 2.662 127 F HA 0.660 5.187 4.527 -0.000 0.000 0.312 127 F C -0.790 174.938 175.800 -0.120 0.000 1.113 127 F CA -1.394 56.520 58.000 -0.144 0.000 0.951 127 F CB 1.485 40.382 39.000 -0.171 0.000 1.344 127 F HN 0.190 nan 8.300 nan 0.000 0.462 128 N N 1.144 119.781 118.700 -0.104 0.000 2.430 128 N HA 0.571 5.311 4.740 0.000 0.000 0.292 128 N C -1.488 173.910 175.510 -0.187 0.000 1.051 128 N CA -0.488 52.442 53.050 -0.200 0.000 0.917 128 N CB 2.603 41.013 38.487 -0.128 0.000 1.164 128 N HN 0.469 nan 8.380 nan 0.000 0.484 129 V N 1.652 121.421 119.914 -0.242 0.000 2.540 129 V HA 0.167 4.287 4.120 0.000 0.000 0.302 129 V C -0.461 175.503 176.094 -0.218 0.000 1.035 129 V CA -0.950 61.205 62.300 -0.240 0.000 0.873 129 V CB 1.888 33.639 31.823 -0.121 0.000 0.992 129 V HN 0.521 nan 8.190 nan 0.000 0.428 130 D N 2.680 122.883 120.400 -0.329 0.000 2.443 130 D HA 0.061 4.701 4.640 0.000 0.000 0.239 130 D C 1.422 177.711 176.300 -0.017 0.000 1.136 130 D CA 0.041 53.936 54.000 -0.175 0.000 0.879 130 D CB 0.874 41.557 40.800 -0.196 0.000 1.195 130 D HN 0.799 nan 8.370 nan 0.000 0.443 131 E N 0.395 120.602 120.200 0.011 0.000 2.153 131 E HA -0.214 4.136 4.350 0.000 0.000 0.194 131 E C 1.392 178.050 176.600 0.097 0.000 0.988 131 E CA 1.134 57.563 56.400 0.049 0.000 0.811 131 E CB -0.206 29.509 29.700 0.025 0.000 0.746 131 E HN 0.378 nan 8.360 nan 0.000 0.466 132 S N 0.247 116.013 115.700 0.110 0.000 2.419 132 S HA -0.165 4.305 4.470 0.000 0.000 0.233 132 S C 1.461 176.134 174.600 0.122 0.000 1.016 132 S CA 0.781 59.048 58.200 0.112 0.000 0.974 132 S CB -0.716 62.546 63.200 0.104 0.000 0.786 132 S HN 0.433 nan 8.310 nan 0.000 0.492 133 W N 1.560 122.777 121.300 -0.139 0.000 2.467 133 W HA 0.338 4.998 4.660 0.000 0.000 0.275 133 W C 1.905 178.482 176.519 0.097 0.000 1.239 133 W CA 0.082 57.319 57.345 -0.179 0.000 1.266 133 W CB -0.401 29.023 29.460 -0.060 0.000 1.112 133 W HN 0.310 nan 8.180 nan 0.000 0.576 134 L N -1.032 120.359 121.223 0.279 0.000 2.556 134 L HA 0.070 4.410 4.340 0.000 0.000 0.226 134 L C 2.027 178.984 176.870 0.144 0.000 1.089 134 L CA 0.406 55.371 54.840 0.210 0.000 0.864 134 L CB -0.503 41.651 42.059 0.158 0.000 1.067 134 L HN -0.111 nan 8.230 nan 0.000 0.477 135 Q N 0.730 120.603 119.800 0.122 0.000 2.311 135 Q HA -0.042 4.298 4.340 0.000 0.000 0.203 135 Q C 0.014 176.065 176.000 0.086 0.000 0.954 135 Q CA 0.719 56.572 55.803 0.084 0.000 0.885 135 Q CB 0.377 29.154 28.738 0.064 0.000 0.963 135 Q HN 0.560 nan 8.270 nan 0.000 0.471 136 E N -1.685 118.590 120.200 0.124 0.000 2.413 136 E HA 0.571 4.921 4.350 0.000 0.000 0.277 136 E C -0.059 176.660 176.600 0.198 0.000 0.958 136 E CA -0.704 55.769 56.400 0.122 0.000 0.779 136 E CB 1.568 31.325 29.700 0.095 0.000 1.278 136 E HN 0.057 nan 8.360 nan 0.000 0.456 137 G N 1.012 109.847 108.800 0.057 0.000 2.645 137 G HA2 -0.306 3.654 3.960 0.000 0.000 0.246 137 G HA3 -0.306 3.654 3.960 0.000 0.000 0.246 137 G C -0.693 174.091 174.900 -0.194 0.000 1.322 137 G CA 0.233 45.248 45.100 -0.141 0.000 0.898 137 G HN 0.786 nan 8.290 nan 0.000 0.573 138 Q N -0.412 119.118 119.800 -0.451 0.000 2.321 138 Q HA 0.613 4.953 4.340 0.000 0.000 0.270 138 Q C -1.034 174.812 176.000 -0.256 0.000 1.032 138 Q CA -0.445 55.216 55.803 -0.236 0.000 0.784 138 Q CB 1.502 30.140 28.738 -0.167 0.000 1.264 138 Q HN 0.618 nan 8.270 nan 0.000 0.448 139 T N 5.012 119.584 114.554 0.029 0.000 2.756 139 T HA 0.459 4.809 4.350 0.000 0.000 0.290 139 T C -0.520 174.291 174.700 0.185 0.000 0.985 139 T CA -0.619 61.594 62.100 0.187 0.000 0.955 139 T CB 0.452 69.583 68.868 0.438 0.000 0.930 139 T HN 0.619 nan 8.240 nan 0.000 0.451 140 R N 2.926 123.519 120.500 0.154 0.000 2.778 140 R HA 0.767 5.107 4.340 0.000 0.000 0.277 140 R C -1.038 175.358 176.300 0.159 0.000 0.977 140 R CA -0.969 55.223 56.100 0.154 0.000 0.950 140 R CB 1.453 31.815 30.300 0.104 0.000 1.165 140 R HN 0.555 nan 8.270 nan 0.000 0.474 141 I N 2.723 123.388 120.570 0.159 0.000 2.437 141 I HA 0.409 4.579 4.170 0.000 0.000 0.298 141 I C -0.984 175.165 176.117 0.054 0.000 0.984 141 I CA -1.244 60.095 61.300 0.064 0.000 1.214 141 I CB 1.262 39.290 38.000 0.047 0.000 1.365 141 I HN 0.620 nan 8.210 nan 0.000 0.469 142 I N 7.434 127.936 120.570 -0.114 0.000 2.410 142 I HA 0.276 4.446 4.170 0.000 0.000 0.286 142 I C -1.245 174.706 176.117 -0.276 0.000 1.009 142 I CA -0.371 60.878 61.300 -0.085 0.000 1.111 142 I CB 1.251 39.218 38.000 -0.055 0.000 1.262 142 I HN 0.375 nan 8.210 nan 0.000 0.443 143 F N 4.580 124.512 119.950 -0.030 0.000 2.334 143 F HA 0.269 4.796 4.527 -0.000 0.000 0.367 143 F C 1.321 177.008 175.800 -0.189 0.000 1.115 143 F CA -0.477 57.431 58.000 -0.153 0.000 1.116 143 F CB 0.668 39.522 39.000 -0.243 0.000 1.230 143 F HN 0.458 nan 8.300 nan 0.000 0.484 144 D N 2.343 122.663 120.400 -0.134 0.000 2.219 144 D HA 0.027 4.667 4.640 0.000 0.000 0.205 144 D C 1.044 177.176 176.300 -0.281 0.000 0.970 144 D CA 0.932 54.807 54.000 -0.209 0.000 0.851 144 D CB 0.369 40.992 40.800 -0.295 0.000 0.943 144 D HN 0.625 nan 8.370 nan 0.000 0.488 145 G N -0.303 108.261 108.800 -0.394 0.000 2.552 145 G HA2 0.444 4.404 3.960 0.000 0.000 0.288 145 G HA3 0.444 4.404 3.960 0.000 0.000 0.288 145 G C -1.410 173.188 174.900 -0.503 0.000 1.358 145 G CA -0.401 44.326 45.100 -0.621 0.000 1.305 145 G HN -0.055 nan 8.290 nan 0.000 0.602 146 V N 2.698 122.534 119.914 -0.130 0.000 2.525 146 V HA 0.519 4.639 4.120 0.000 0.000 0.299 146 V C -0.806 175.389 176.094 0.168 0.000 1.034 146 V CA -1.220 61.047 62.300 -0.055 0.000 0.863 146 V CB 1.960 33.540 31.823 -0.405 0.000 0.999 146 V HN 0.680 nan 8.190 nan 0.000 0.423 147 N N 2.395 121.197 118.700 0.169 0.000 2.446 147 N HA 0.311 5.051 4.740 0.000 0.000 0.265 147 N C 0.644 176.121 175.510 -0.055 0.000 0.975 147 N CA 0.167 53.230 53.050 0.022 0.000 0.928 147 N CB 2.181 40.536 38.487 -0.220 0.000 1.160 147 N HN 0.732 nan 8.380 nan 0.000 0.495 148 S N 1.751 117.450 115.700 -0.001 0.000 2.526 148 S HA 0.546 5.016 4.470 0.000 0.000 0.220 148 S C 0.333 175.001 174.600 0.113 0.000 1.017 148 S CA -0.117 58.122 58.200 0.064 0.000 0.930 148 S CB 0.455 63.703 63.200 0.080 0.000 0.856 148 S HN 0.622 nan 8.310 nan 0.000 0.497 149 A N 0.948 123.842 122.820 0.124 0.000 2.604 149 A HA 0.760 5.080 4.320 0.000 0.000 0.295 149 A C -1.317 176.346 177.584 0.132 0.000 1.067 149 A CA -0.990 51.078 52.037 0.051 0.000 0.683 149 A CB 0.913 19.972 19.000 0.099 0.000 1.281 149 A HN 1.025 nan 8.150 nan 0.000 0.407 150 F N -0.260 119.507 119.950 -0.303 0.000 2.654 150 F HA 0.758 5.285 4.527 0.000 0.000 0.308 150 F C -1.047 174.624 175.800 -0.215 0.000 1.108 150 F CA -0.752 57.149 58.000 -0.164 0.000 0.957 150 F CB 1.244 40.136 39.000 -0.180 0.000 1.309 150 F HN 0.618 nan 8.300 nan 0.000 0.446 151 H N 2.230 121.412 119.070 0.187 0.000 2.499 151 H HA 0.648 5.204 4.556 0.000 0.000 0.340 151 H C -1.375 173.887 175.328 -0.110 0.000 1.148 151 H CA -0.696 55.351 56.048 -0.002 0.000 1.215 151 H CB 2.498 32.306 29.762 0.077 0.000 1.529 151 H HN 0.756 nan 8.280 nan 0.000 0.510 152 L N 3.296 124.254 121.223 -0.442 0.000 2.362 152 L HA 0.369 4.709 4.340 0.000 0.000 0.275 152 L C -1.451 175.055 176.870 -0.606 0.000 0.998 152 L CA -0.503 54.123 54.840 -0.358 0.000 0.820 152 L CB 1.134 42.880 42.059 -0.521 0.000 1.270 152 L HN 0.507 nan 8.230 nan 0.000 0.415 153 W N 4.480 125.730 121.300 -0.084 0.000 2.761 153 W HA 0.584 5.244 4.660 0.000 0.000 0.340 153 W C -1.041 175.413 176.519 -0.109 0.000 1.072 153 W CA -0.798 56.483 57.345 -0.106 0.000 1.215 153 W CB 2.017 31.454 29.460 -0.039 0.000 1.420 153 W HN 0.553 nan 8.180 nan 0.000 0.519 154 C N 4.911 124.275 119.300 0.107 0.000 2.397 154 C HA 0.284 4.744 4.460 0.000 0.000 0.325 154 C C 0.231 175.340 174.990 0.198 0.000 1.201 154 C CA -0.377 58.718 59.018 0.128 0.000 1.377 154 C CB -0.666 27.108 27.740 0.058 0.000 2.038 154 C HN 0.807 nan 8.230 nan 0.000 0.457 155 N N 3.663 122.443 118.700 0.133 0.000 2.727 155 N HA -0.189 4.551 4.740 0.000 0.000 0.249 155 N C 0.984 176.557 175.510 0.104 0.000 1.048 155 N CA 2.027 55.130 53.050 0.090 0.000 0.714 155 N CB -1.314 37.230 38.487 0.094 0.000 0.959 155 N HN 1.823 nan 8.380 nan 0.000 0.544 156 G N -1.189 107.668 108.800 0.094 0.000 2.234 156 G HA2 -0.372 3.588 3.960 0.000 0.000 0.260 156 G HA3 -0.372 3.588 3.960 0.000 0.000 0.260 156 G C 0.143 175.212 174.900 0.281 0.000 0.987 156 G CA 0.586 45.738 45.100 0.087 0.000 0.625 156 G HN 0.549 nan 8.290 nan 0.000 0.532 157 R N -0.707 120.015 120.500 0.371 0.000 2.265 157 R HA 0.412 4.752 4.340 0.000 0.000 0.319 157 R C -0.058 176.528 176.300 0.478 0.000 1.006 157 R CA -0.847 55.540 56.100 0.479 0.000 0.880 157 R CB 0.868 31.480 30.300 0.519 0.000 1.077 157 R HN 0.250 nan 8.270 nan 0.000 0.454 158 W N 3.892 125.347 121.300 0.257 0.000 2.264 158 W HA 0.022 4.682 4.660 -0.000 0.000 0.331 158 W C 0.103 176.472 176.519 -0.250 0.000 1.364 158 W CA 0.161 57.337 57.345 -0.282 0.000 1.253 158 W CB 0.631 29.937 29.460 -0.257 0.000 1.215 158 W HN 0.344 nan 8.180 nan 0.000 0.561 159 V N 5.229 124.345 119.914 -1.331 0.000 2.806 159 V HA 0.538 4.658 4.120 0.000 0.000 0.239 159 V C 1.047 176.181 176.094 -1.601 0.000 1.113 159 V CA 0.967 62.468 62.300 -1.331 0.000 1.137 159 V CB -0.288 30.797 31.823 -1.230 0.000 0.865 159 V HN 0.835 nan 8.190 nan 0.000 0.482 160 G N -1.632 105.927 108.800 -2.067 0.000 2.340 160 G HA2 0.450 4.410 3.960 0.000 0.000 0.299 160 G HA3 0.450 4.410 3.960 0.000 0.000 0.299 160 G C -2.452 171.957 174.900 -0.819 0.000 1.291 160 G CA -0.291 43.954 45.100 -1.424 0.000 0.841 160 G HN -0.005 nan 8.290 nan 0.000 0.500 161 Y N -0.448 119.585 120.300 -0.445 0.000 2.534 161 Y HA 0.708 5.258 4.550 -0.000 0.000 0.345 161 Y C -0.056 175.645 175.900 -0.333 0.000 1.031 161 Y CA -0.031 57.794 58.100 -0.459 0.000 1.022 161 Y CB 2.322 40.654 38.460 -0.214 0.000 1.292 161 Y HN 1.219 nan 8.280 nan 0.000 0.459 162 G N 3.887 111.850 108.800 -1.394 0.000 2.706 162 G HA2 0.579 4.539 3.960 0.000 0.000 0.297 162 G HA3 0.579 4.539 3.960 0.000 0.000 0.297 162 G C -2.067 172.361 174.900 -0.787 0.000 1.403 162 G CA -0.797 43.789 45.100 -0.856 0.000 0.954 162 G HN 0.631 nan 8.290 nan 0.000 0.500 163 Q N -0.290 119.319 119.800 -0.318 0.000 2.873 163 Q HA 0.580 4.920 4.340 0.000 0.000 0.297 163 Q C -1.288 174.717 176.000 0.009 0.000 1.064 163 Q CA -0.858 54.883 55.803 -0.103 0.000 0.816 163 Q CB 2.381 31.123 28.738 0.006 0.000 1.481 163 Q HN 0.625 nan 8.270 nan 0.000 0.488 164 D N -0.232 120.210 120.400 0.070 0.000 4.669 164 D HA -0.102 4.538 4.640 0.000 0.000 0.240 164 D C -0.359 176.006 176.300 0.108 0.000 1.111 164 D CA 0.556 54.610 54.000 0.091 0.000 1.179 164 D CB -0.472 40.366 40.800 0.063 0.000 0.750 164 D HN 0.546 nan 8.370 nan 0.000 0.360 165 S N 3.299 119.079 115.700 0.134 0.000 2.469 165 S HA -0.111 4.359 4.470 0.000 0.000 0.238 165 S C 1.575 176.307 174.600 0.220 0.000 0.998 165 S CA 0.730 59.042 58.200 0.187 0.000 0.957 165 S CB 0.233 63.516 63.200 0.139 0.000 0.764 165 S HN 0.475 nan 8.310 nan 0.000 0.514 166 R N -0.014 120.574 120.500 0.147 0.000 2.543 166 R HA 0.441 4.781 4.340 0.000 0.000 0.323 166 R C -0.392 175.962 176.300 0.089 0.000 1.002 166 R CA 0.053 56.236 56.100 0.138 0.000 1.106 166 R CB 0.166 30.567 30.300 0.167 0.000 1.280 166 R HN 0.325 nan 8.270 nan 0.000 0.549 167 L N 1.675 122.925 121.223 0.045 0.000 2.371 167 L HA 0.502 4.842 4.340 0.000 0.000 0.262 167 L C -2.376 174.472 176.870 -0.036 0.000 1.006 167 L CA -2.288 52.552 54.840 -0.001 0.000 0.818 167 L CB 3.078 45.134 42.059 -0.004 0.000 1.354 167 L HN -0.208 nan 8.230 nan 0.000 0.415 168 P HA 0.076 nan 4.420 nan 0.000 0.271 168 P C -0.947 176.322 177.300 -0.053 0.000 1.216 168 P CA -0.147 62.907 63.100 -0.076 0.000 0.771 168 P CB 1.062 32.681 31.700 -0.136 0.000 0.864 169 S N 2.243 117.971 115.700 0.046 0.000 2.433 169 S HA 0.304 4.774 4.470 0.000 0.000 0.310 169 S C -0.307 174.263 174.600 -0.050 0.000 1.097 169 S CA -0.541 57.655 58.200 -0.006 0.000 1.103 169 S CB 0.753 64.115 63.200 0.270 0.000 0.992 169 S HN 0.374 nan 8.310 nan 0.000 0.469 170 E N 1.990 121.961 120.200 -0.382 0.000 2.222 170 E HA 0.553 4.903 4.350 0.000 0.000 0.267 170 E C -1.445 174.805 176.600 -0.585 0.000 0.884 170 E CA -0.506 55.740 56.400 -0.258 0.000 0.764 170 E CB 1.632 31.287 29.700 -0.074 0.000 1.169 170 E HN 0.425 nan 8.360 nan 0.000 0.413 171 F N 0.736 120.748 119.950 0.103 0.000 2.578 171 F HA 0.206 4.733 4.527 0.000 0.000 0.311 171 F C 0.026 175.861 175.800 0.058 0.000 1.094 171 F CA -1.113 56.913 58.000 0.045 0.000 0.923 171 F CB 1.574 40.569 39.000 -0.008 0.000 1.230 171 F HN 0.273 nan 8.300 nan 0.000 0.450 172 D N 3.047 123.587 120.400 0.233 0.000 2.339 172 D HA 0.220 4.860 4.640 0.000 0.000 0.256 172 D C 0.280 176.744 176.300 0.273 0.000 1.214 172 D CA 0.348 54.470 54.000 0.204 0.000 0.877 172 D CB 0.993 41.891 40.800 0.164 0.000 1.111 172 D HN 0.577 nan 8.370 nan 0.000 0.478 173 L N 2.734 124.123 121.223 0.276 0.000 2.728 173 L HA 0.048 4.388 4.340 0.000 0.000 0.238 173 L C 2.036 179.138 176.870 0.387 0.000 1.143 173 L CA -0.149 54.908 54.840 0.361 0.000 0.937 173 L CB 0.175 42.400 42.059 0.277 0.000 1.225 173 L HN 0.250 nan 8.230 nan 0.000 0.507 174 S N 1.232 117.100 115.700 0.280 0.000 2.383 174 S HA -0.200 4.270 4.470 0.000 0.000 0.229 174 S C 2.033 176.719 174.600 0.143 0.000 1.030 174 S CA 1.573 59.891 58.200 0.196 0.000 1.002 174 S CB -0.073 63.202 63.200 0.125 0.000 0.829 174 S HN 0.538 nan 8.310 nan 0.000 0.467 175 A N -0.548 122.331 122.820 0.097 0.000 2.251 175 A HA 0.366 4.686 4.320 0.000 0.000 0.209 175 A C 1.320 178.744 177.584 -0.267 0.000 1.187 175 A CA 0.261 52.220 52.037 -0.129 0.000 0.823 175 A CB -0.377 18.455 19.000 -0.280 0.000 0.846 175 A HN 0.480 nan 8.150 nan 0.000 0.486 176 F N -0.792 119.203 119.950 0.075 0.000 2.653 176 F HA 0.363 4.890 4.527 0.000 0.000 0.288 176 F C 0.629 176.470 175.800 0.069 0.000 1.121 176 F CA -0.135 57.910 58.000 0.074 0.000 1.384 176 F CB 0.147 39.197 39.000 0.083 0.000 1.115 176 F HN -0.051 nan 8.300 nan 0.000 0.599 177 L N 1.447 122.815 121.223 0.243 0.000 2.399 177 L HA 0.446 4.786 4.340 0.000 0.000 0.266 177 L C 0.219 177.132 176.870 0.071 0.000 1.114 177 L CA -0.635 54.294 54.840 0.148 0.000 0.804 177 L CB 1.011 43.176 42.059 0.178 0.000 1.146 177 L HN 0.041 nan 8.230 nan 0.000 0.451 178 R N 1.696 122.201 120.500 0.008 0.000 2.854 178 R HA 0.822 5.162 4.340 0.000 0.000 0.271 178 R C -0.836 175.438 176.300 -0.043 0.000 0.996 178 R CA -0.920 55.173 56.100 -0.012 0.000 0.961 178 R CB 1.441 31.724 30.300 -0.028 0.000 1.182 178 R HN 0.558 nan 8.270 nan 0.000 0.479 179 A N 1.429 124.233 122.820 -0.027 0.000 2.511 179 A HA 0.473 4.793 4.320 0.000 0.000 0.242 179 A C 1.074 178.610 177.584 -0.079 0.000 1.069 179 A CA 0.971 52.982 52.037 -0.043 0.000 0.763 179 A CB -0.728 18.260 19.000 -0.019 0.000 1.001 179 A HN 1.287 nan 8.150 nan 0.000 0.498 180 G N 1.704 110.438 108.800 -0.110 0.000 2.503 180 G HA2 -0.164 3.796 3.960 0.000 0.000 0.235 180 G HA3 -0.164 3.796 3.960 0.000 0.000 0.235 180 G C -0.156 174.624 174.900 -0.201 0.000 1.179 180 G CA 0.097 45.119 45.100 -0.130 0.000 0.944 180 G HN 0.966 nan 8.290 nan 0.000 0.580 181 E N 1.847 121.935 120.200 -0.187 0.000 2.344 181 E HA 0.352 4.702 4.350 0.000 0.000 0.270 181 E C -0.106 176.307 176.600 -0.313 0.000 1.021 181 E CA -0.024 56.229 56.400 -0.246 0.000 0.887 181 E CB 0.407 30.011 29.700 -0.161 0.000 0.997 181 E HN 0.405 nan 8.360 nan 0.000 0.429 182 N N 2.389 120.769 118.700 -0.533 0.000 2.321 182 N HA 0.374 5.114 4.740 0.000 0.000 0.290 182 N C -0.969 174.301 175.510 -0.400 0.000 1.212 182 N CA -0.684 52.047 53.050 -0.531 0.000 0.767 182 N CB 2.423 40.417 38.487 -0.822 0.000 1.494 182 N HN 0.295 nan 8.380 nan 0.000 0.479 183 R N 1.605 122.037 120.500 -0.113 0.000 2.502 183 R HA 0.446 4.786 4.340 0.000 0.000 0.300 183 R C -1.078 175.297 176.300 0.126 0.000 0.984 183 R CA -0.491 55.625 56.100 0.026 0.000 0.882 183 R CB 0.884 31.154 30.300 -0.051 0.000 1.180 183 R HN 0.484 nan 8.270 nan 0.000 0.444 184 L N 3.055 124.398 121.223 0.199 0.000 2.375 184 L HA 0.667 5.007 4.340 0.000 0.000 0.271 184 L C -0.008 176.902 176.870 0.067 0.000 1.107 184 L CA -0.686 54.248 54.840 0.157 0.000 0.806 184 L CB 1.668 43.803 42.059 0.126 0.000 1.146 184 L HN 0.722 nan 8.230 nan 0.000 0.447 185 A N 2.790 125.670 122.820 0.101 0.000 2.353 185 A HA 0.732 5.052 4.320 0.000 0.000 0.299 185 A C -1.046 176.803 177.584 0.440 0.000 1.089 185 A CA -0.445 51.563 52.037 -0.048 0.000 0.736 185 A CB 1.550 20.090 19.000 -0.766 0.000 1.195 185 A HN 0.372 nan 8.150 nan 0.000 0.447 186 V N 3.497 123.845 119.914 0.722 0.000 2.409 186 V HA 0.423 4.543 4.120 0.000 0.000 0.290 186 V C -0.077 176.559 176.094 0.904 0.000 1.017 186 V CA -0.250 62.490 62.300 0.734 0.000 0.841 186 V CB 1.481 33.562 31.823 0.431 0.000 1.003 186 V HN 0.960 nan 8.190 nan 0.000 0.426 187 M N 5.958 126.098 119.600 0.900 0.000 2.069 187 M HA 0.486 4.966 4.480 0.000 0.000 0.349 187 M C -1.233 175.321 176.300 0.422 0.000 1.194 187 M CA -0.346 55.304 55.300 0.582 0.000 1.081 187 M CB 0.910 33.891 32.600 0.636 0.000 1.500 187 M HN 0.479 nan 8.290 nan 0.000 0.438 188 V N 6.760 126.888 119.914 0.356 0.000 2.383 188 V HA 0.343 4.463 4.120 0.000 0.000 0.275 188 V C -0.152 176.100 176.094 0.263 0.000 1.036 188 V CA -0.622 61.893 62.300 0.358 0.000 0.889 188 V CB 1.278 33.414 31.823 0.522 0.000 0.985 188 V HN 0.756 nan 8.190 nan 0.000 0.459 189 L N 5.027 126.345 121.223 0.158 0.000 2.289 189 L HA 0.522 4.862 4.340 0.000 0.000 0.285 189 L C 1.515 178.424 176.870 0.064 0.000 1.049 189 L CA -0.210 54.653 54.840 0.038 0.000 0.804 189 L CB 1.022 43.010 42.059 -0.119 0.000 1.195 189 L HN 0.593 nan 8.230 nan 0.000 0.428 190 R N 2.758 123.254 120.500 -0.007 0.000 2.066 190 R HA -0.043 4.297 4.340 0.000 0.000 0.232 190 R C -0.394 175.624 176.300 -0.470 0.000 1.131 190 R CA 1.170 57.050 56.100 -0.367 0.000 0.955 190 R CB 0.190 30.137 30.300 -0.588 0.000 0.851 190 R HN 0.586 nan 8.270 nan 0.000 0.432 191 W N 0.620 121.992 121.300 0.120 0.000 2.573 191 W HA 0.403 5.063 4.660 -0.000 0.000 0.326 191 W C -0.297 176.337 176.519 0.191 0.000 1.049 191 W CA -0.896 56.523 57.345 0.122 0.000 1.220 191 W CB 1.718 31.248 29.460 0.116 0.000 1.373 191 W HN 0.031 nan 8.180 nan 0.000 0.507 192 S N -0.770 115.208 115.700 0.462 0.000 2.705 192 S HA 0.279 4.749 4.470 0.000 0.000 0.280 192 S C 0.221 175.074 174.600 0.421 0.000 1.174 192 S CA -0.464 58.020 58.200 0.473 0.000 0.823 192 S CB 1.280 64.738 63.200 0.430 0.000 1.162 192 S HN 0.606 nan 8.310 nan 0.000 0.487 193 D N 0.142 120.800 120.400 0.431 0.000 2.264 193 D HA 0.088 4.728 4.640 0.000 0.000 0.208 193 D C 1.784 178.411 176.300 0.545 0.000 0.966 193 D CA 1.000 55.319 54.000 0.532 0.000 0.864 193 D CB -0.698 40.301 40.800 0.332 0.000 0.933 193 D HN 0.668 nan 8.370 nan 0.000 0.499 194 G N 0.326 109.360 108.800 0.390 0.000 2.450 194 G HA2 -0.299 3.661 3.960 0.000 0.000 0.220 194 G HA3 -0.299 3.661 3.960 0.000 0.000 0.220 194 G C 1.730 176.815 174.900 0.308 0.000 1.130 194 G CA 0.856 46.152 45.100 0.326 0.000 0.760 194 G HN 0.324 nan 8.290 nan 0.000 0.557 195 S N -0.026 115.844 115.700 0.284 0.000 2.419 195 S HA -0.119 4.351 4.470 0.000 0.000 0.235 195 S C 1.917 176.626 174.600 0.182 0.000 1.019 195 S CA 0.885 59.222 58.200 0.228 0.000 0.982 195 S CB -0.423 62.931 63.200 0.256 0.000 0.789 195 S HN 0.566 nan 8.310 nan 0.000 0.490 196 Y N 1.063 121.499 120.300 0.227 0.000 2.421 196 Y HA 0.076 4.626 4.550 0.000 0.000 0.292 196 Y C 1.602 177.586 175.900 0.141 0.000 1.136 196 Y CA 0.591 58.763 58.100 0.121 0.000 1.255 196 Y CB -0.212 38.174 38.460 -0.123 0.000 0.991 196 Y HN 0.195 nan 8.280 nan 0.000 0.552 197 L N -0.466 120.929 121.223 0.288 0.000 2.667 197 L HA 0.137 4.477 4.340 0.000 0.000 0.232 197 L C 0.001 176.997 176.870 0.209 0.000 1.138 197 L CA 0.370 55.337 54.840 0.211 0.000 0.921 197 L CB 0.179 42.368 42.059 0.216 0.000 1.180 197 L HN 0.090 nan 8.230 nan 0.000 0.487 198 E N -0.157 120.179 120.200 0.227 0.000 3.896 198 E HA 0.040 4.390 4.350 0.000 0.000 0.217 198 E C -0.472 176.237 176.600 0.182 0.000 1.150 198 E CA -0.047 56.478 56.400 0.208 0.000 1.338 198 E CB 0.529 30.346 29.700 0.195 0.000 1.242 198 E HN 0.032 nan 8.360 nan 0.000 0.435 199 D N 0.869 121.340 120.400 0.117 0.000 2.460 199 D HA 0.016 4.656 4.640 0.000 0.000 0.229 199 D C -0.248 176.050 176.300 -0.003 0.000 1.170 199 D CA -0.106 53.870 54.000 -0.041 0.000 0.827 199 D CB 0.267 40.860 40.800 -0.346 0.000 0.973 199 D HN 0.064 nan 8.370 nan 0.000 0.496 200 Q N 1.246 121.128 119.800 0.136 0.000 2.315 200 Q HA 0.017 4.357 4.340 0.000 0.000 0.289 200 Q C 0.099 176.198 176.000 0.166 0.000 1.044 200 Q CA 0.384 56.330 55.803 0.238 0.000 0.920 200 Q CB 0.530 29.566 28.738 0.497 0.000 1.214 200 Q HN 0.291 nan 8.270 nan 0.000 0.392 201 D N 4.838 125.330 120.400 0.154 0.000 2.344 201 D HA 0.220 4.860 4.640 0.000 0.000 0.253 201 D C -0.312 176.086 176.300 0.163 0.000 1.255 201 D CA 0.024 54.076 54.000 0.087 0.000 0.894 201 D CB 0.146 40.961 40.800 0.025 0.000 1.067 201 D HN 0.610 nan 8.370 nan 0.000 0.492 202 M N 0.424 120.103 119.600 0.133 0.000 3.493 202 M HA 0.319 4.799 4.480 0.000 0.000 0.300 202 M C -1.742 174.616 176.300 0.096 0.000 1.288 202 M CA -1.194 54.131 55.300 0.042 0.000 0.867 202 M CB 1.039 33.590 32.600 -0.081 0.000 1.735 202 M HN 0.049 nan 8.290 nan 0.000 0.518 203 W N 2.419 123.775 121.300 0.094 0.000 2.322 203 W HA 0.324 4.984 4.660 -0.000 0.000 0.328 203 W C 0.317 176.831 176.519 -0.008 0.000 1.395 203 W CA -0.130 57.243 57.345 0.048 0.000 1.267 203 W CB 0.279 29.698 29.460 -0.068 0.000 1.259 203 W HN 0.243 nan 8.180 nan 0.000 0.560 204 R N 5.298 125.932 120.500 0.224 0.000 2.248 204 R HA 0.300 4.640 4.340 0.000 0.000 0.337 204 R C -0.156 176.112 176.300 -0.054 0.000 1.106 204 R CA 0.028 56.186 56.100 0.097 0.000 0.959 204 R CB -0.181 30.247 30.300 0.213 0.000 1.075 204 R HN 0.537 nan 8.270 nan 0.000 0.480 205 M N 0.552 120.033 119.600 -0.199 0.000 2.777 205 M HA 0.452 4.932 4.480 0.000 0.000 0.307 205 M C 0.023 175.984 176.300 -0.566 0.000 1.228 205 M CA -0.754 54.316 55.300 -0.383 0.000 0.871 205 M CB 2.434 34.815 32.600 -0.365 0.000 1.721 205 M HN 0.491 nan 8.290 nan 0.000 0.487 206 S N -0.703 114.516 115.700 -0.801 0.000 2.638 206 S HA 1.014 5.484 4.470 0.000 0.000 0.274 206 S C -0.409 173.689 174.600 -0.836 0.000 1.157 206 S CA -0.272 57.383 58.200 -0.909 0.000 0.826 206 S CB 2.076 64.565 63.200 -1.186 0.000 1.139 206 S HN 1.321 nan 8.310 nan 0.000 0.474 207 G N 0.003 108.582 108.800 -0.368 0.000 2.331 207 G HA2 0.104 4.064 3.960 0.000 0.000 0.479 207 G HA3 0.104 4.064 3.960 0.000 0.000 0.479 207 G C -1.380 173.503 174.900 -0.028 0.000 1.262 207 G CA -0.693 44.471 45.100 0.105 0.000 1.029 207 G HN 1.008 nan 8.290 nan 0.000 0.487 208 I N 2.023 122.399 120.570 -0.323 0.000 2.256 208 I HA 0.305 4.475 4.170 0.000 0.000 0.294 208 I C 1.114 177.089 176.117 -0.236 0.000 1.127 208 I CA -0.162 60.873 61.300 -0.442 0.000 1.247 208 I CB -0.194 37.293 38.000 -0.854 0.000 1.460 208 I HN 0.520 nan 8.210 nan 0.000 0.511 209 F N 4.227 124.023 119.950 -0.257 0.000 2.678 209 F HA 0.477 5.004 4.527 0.000 0.000 0.305 209 F C 0.724 176.439 175.800 -0.141 0.000 1.090 209 F CA -0.560 57.323 58.000 -0.194 0.000 1.272 209 F CB 0.131 39.019 39.000 -0.187 0.000 1.060 209 F HN 0.126 nan 8.300 nan 0.000 0.576 210 R N 0.544 120.616 120.500 -0.713 0.000 2.960 210 R HA 0.248 4.588 4.340 0.000 0.000 0.249 210 R C -0.754 175.339 176.300 -0.345 0.000 1.192 210 R CA -1.161 54.636 56.100 -0.506 0.000 1.035 210 R CB 0.665 30.564 30.300 -0.669 0.000 1.234 210 R HN -0.034 nan 8.270 nan 0.000 0.493 211 D N 0.924 121.166 120.400 -0.263 0.000 2.449 211 D HA 0.086 4.726 4.640 0.000 0.000 0.236 211 D C -0.441 175.715 176.300 -0.241 0.000 1.149 211 D CA 0.407 54.289 54.000 -0.198 0.000 0.878 211 D CB 0.755 41.472 40.800 -0.138 0.000 1.198 211 D HN 0.000 nan 8.370 nan 0.000 0.446 212 V N 1.327 121.105 119.914 -0.227 0.000 2.459 212 V HA 0.541 4.661 4.120 0.000 0.000 0.295 212 V C 0.202 176.172 176.094 -0.206 0.000 1.029 212 V CA -0.573 61.535 62.300 -0.321 0.000 0.874 212 V CB 1.536 33.183 31.823 -0.293 0.000 0.985 212 V HN 0.733 nan 8.190 nan 0.000 0.438 213 S N 4.662 120.222 115.700 -0.234 0.000 2.618 213 S HA 0.823 5.293 4.470 0.000 0.000 0.277 213 S C -1.256 173.296 174.600 -0.079 0.000 1.138 213 S CA -0.908 57.224 58.200 -0.112 0.000 0.844 213 S CB 1.839 65.009 63.200 -0.050 0.000 1.127 213 S HN 0.467 nan 8.310 nan 0.000 0.474 214 L N 1.573 122.816 121.223 0.034 0.000 2.322 214 L HA 0.671 5.011 4.340 0.000 0.000 0.281 214 L C -1.304 175.743 176.870 0.294 0.000 1.014 214 L CA -0.931 54.019 54.840 0.182 0.000 0.815 214 L CB 1.696 43.909 42.059 0.257 0.000 1.247 214 L HN 0.701 nan 8.230 nan 0.000 0.421 215 L N 3.441 124.800 121.223 0.228 0.000 2.356 215 L HA 0.435 4.775 4.340 0.000 0.000 0.277 215 L C -0.660 176.181 176.870 -0.048 0.000 0.996 215 L CA -0.144 54.752 54.840 0.094 0.000 0.822 215 L CB 1.389 43.481 42.059 0.056 0.000 1.256 215 L HN 0.473 nan 8.230 nan 0.000 0.413 216 H N 5.469 124.249 119.070 -0.482 0.000 2.552 216 H HA 0.450 5.006 4.556 0.000 0.000 0.311 216 H C -1.180 173.909 175.328 -0.399 0.000 1.071 216 H CA -0.540 55.114 56.048 -0.656 0.000 1.307 216 H CB 1.043 29.919 29.762 -1.476 0.000 1.416 216 H HN 0.524 nan 8.280 nan 0.000 0.464 217 K N 5.689 125.708 120.400 -0.635 0.000 2.259 217 K HA 0.365 4.685 4.320 0.000 0.000 0.249 217 K C -2.678 173.627 176.600 -0.491 0.000 0.942 217 K CA -2.071 53.959 56.287 -0.428 0.000 0.816 217 K CB 2.058 34.384 32.500 -0.290 0.000 1.155 217 K HN 0.484 nan 8.250 nan 0.000 0.428 218 P HA 0.114 nan 4.420 nan 0.000 0.272 218 P C 0.537 177.741 177.300 -0.160 0.000 1.240 218 P CA -0.121 62.876 63.100 -0.171 0.000 0.791 218 P CB 0.458 32.109 31.700 -0.081 0.000 0.978 219 T N -0.929 113.561 114.554 -0.107 0.000 2.708 219 T HA -0.068 4.282 4.350 0.000 0.000 0.266 219 T C 0.576 175.225 174.700 -0.084 0.000 1.037 219 T CA 1.602 63.651 62.100 -0.085 0.000 1.146 219 T CB -0.756 68.082 68.868 -0.049 0.000 0.865 219 T HN 0.449 nan 8.240 nan 0.000 0.435 220 T N 3.842 118.355 114.554 -0.070 0.000 2.723 220 T HA 0.415 4.765 4.350 0.000 0.000 0.297 220 T C -0.159 174.491 174.700 -0.084 0.000 0.925 220 T CA -0.510 61.543 62.100 -0.079 0.000 1.030 220 T CB 0.371 69.208 68.868 -0.051 0.000 0.905 220 T HN 0.505 nan 8.240 nan 0.000 0.502 221 Q N 2.299 122.033 119.800 -0.109 0.000 2.456 221 Q HA 0.611 4.951 4.340 0.000 0.000 0.284 221 Q C -1.249 174.679 176.000 -0.120 0.000 1.061 221 Q CA -1.158 54.568 55.803 -0.129 0.000 0.799 221 Q CB 1.323 29.961 28.738 -0.167 0.000 1.445 221 Q HN 0.479 nan 8.270 nan 0.000 0.411 222 I N 2.630 123.103 120.570 -0.161 0.000 2.436 222 I HA 0.018 4.188 4.170 0.000 0.000 0.289 222 I C 0.784 176.776 176.117 -0.207 0.000 1.083 222 I CA 0.079 61.291 61.300 -0.147 0.000 1.372 222 I CB 0.958 38.832 38.000 -0.210 0.000 1.408 222 I HN 0.895 nan 8.210 nan 0.000 0.516 223 S N 2.591 118.284 115.700 -0.012 0.000 2.497 223 S HA 0.191 4.661 4.470 0.000 0.000 0.218 223 S C 0.256 175.056 174.600 0.334 0.000 1.023 223 S CA -0.213 58.052 58.200 0.107 0.000 0.913 223 S CB 0.342 63.565 63.200 0.038 0.000 0.800 223 S HN 0.682 nan 8.310 nan 0.000 0.505 224 D N -0.134 120.444 120.400 0.297 0.000 2.654 224 D HA 0.552 5.192 4.640 0.000 0.000 0.231 224 D C -1.840 174.603 176.300 0.239 0.000 1.239 224 D CA -0.712 53.448 54.000 0.266 0.000 0.790 224 D CB 1.990 42.812 40.800 0.037 0.000 1.480 224 D HN 0.231 nan 8.370 nan 0.000 0.442 225 F N -0.345 119.615 119.950 0.017 0.000 2.608 225 F HA 0.622 5.149 4.527 -0.000 0.000 0.309 225 F C -1.421 174.365 175.800 -0.024 0.000 1.103 225 F CA -0.795 57.157 58.000 -0.080 0.000 0.954 225 F CB 1.328 40.355 39.000 0.044 0.000 1.267 225 F HN 0.218 nan 8.300 nan 0.000 0.444 226 H N 1.975 121.092 119.070 0.078 0.000 2.529 226 H HA 0.721 5.277 4.556 0.000 0.000 0.348 226 H C -1.233 174.120 175.328 0.041 0.000 1.079 226 H CA -1.453 54.578 56.048 -0.028 0.000 1.198 226 H CB 2.499 32.236 29.762 -0.041 0.000 1.521 226 H HN 0.611 nan 8.280 nan 0.000 0.514 227 V N 2.448 122.437 119.914 0.125 0.000 2.384 227 V HA 0.639 4.759 4.120 0.000 0.000 0.287 227 V C -0.129 175.946 176.094 -0.030 0.000 1.020 227 V CA -0.601 61.733 62.300 0.056 0.000 0.850 227 V CB 1.148 33.005 31.823 0.057 0.000 0.987 227 V HN 0.919 nan 8.190 nan 0.000 0.436 228 A N 3.377 126.160 122.820 -0.062 0.000 2.374 228 A HA 0.938 5.258 4.320 0.000 0.000 0.317 228 A C -0.035 177.432 177.584 -0.196 0.000 1.094 228 A CA -0.534 51.441 52.037 -0.103 0.000 0.765 228 A CB 1.864 20.826 19.000 -0.063 0.000 1.268 228 A HN 0.924 nan 8.150 nan 0.000 0.438 229 T N 0.062 114.472 114.554 -0.240 0.000 2.864 229 T HA 0.654 5.004 4.350 0.000 0.000 0.299 229 T C -0.416 174.023 174.700 -0.436 0.000 1.011 229 T CA -0.681 61.167 62.100 -0.420 0.000 0.975 229 T CB 0.706 69.193 68.868 -0.635 0.000 0.962 229 T HN 0.684 nan 8.240 nan 0.000 0.448 230 R N 2.163 122.387 120.500 -0.461 0.000 2.598 230 R HA 0.775 5.115 4.340 0.000 0.000 0.279 230 R C -1.059 174.890 176.300 -0.584 0.000 0.984 230 R CA -0.765 55.135 56.100 -0.334 0.000 0.999 230 R CB 1.309 31.525 30.300 -0.140 0.000 1.114 230 R HN 0.547 nan 8.270 nan 0.000 0.493 231 F N 0.339 120.283 119.950 -0.010 0.000 2.603 231 F HA 0.274 4.801 4.527 0.000 0.000 0.317 231 F C 0.555 176.237 175.800 -0.196 0.000 1.066 231 F CA -1.178 56.770 58.000 -0.086 0.000 0.941 231 F CB 1.122 40.034 39.000 -0.147 0.000 1.291 231 F HN 0.547 nan 8.300 nan 0.000 0.472 232 N N 0.084 118.781 118.700 -0.005 0.000 2.322 232 N HA 0.030 4.770 4.740 0.000 0.000 0.270 232 N C 0.505 175.873 175.510 -0.236 0.000 1.286 232 N CA -0.051 52.948 53.050 -0.085 0.000 0.948 232 N CB 0.079 38.545 38.487 -0.035 0.000 1.164 232 N HN 0.668 nan 8.380 nan 0.000 0.551 233 D N -1.502 118.802 120.400 -0.159 0.000 2.178 233 D HA -0.220 4.420 4.640 0.000 0.000 0.201 233 D C 0.427 176.624 176.300 -0.171 0.000 0.980 233 D CA 1.518 55.417 54.000 -0.167 0.000 0.842 233 D CB -0.519 40.246 40.800 -0.058 0.000 0.948 233 D HN 0.746 nan 8.370 nan 0.000 0.472 234 D N -1.277 119.078 120.400 -0.074 0.000 2.462 234 D HA 0.003 4.643 4.640 0.000 0.000 0.221 234 D C 0.037 176.494 176.300 0.261 0.000 1.173 234 D CA -0.950 53.118 54.000 0.114 0.000 0.831 234 D CB -0.969 39.896 40.800 0.109 0.000 1.001 234 D HN 0.194 nan 8.370 nan 0.000 0.499 235 F N 0.544 120.543 119.950 0.082 0.000 3.034 235 F HA -0.287 4.240 4.527 0.000 0.000 0.286 235 F C 1.624 177.499 175.800 0.125 0.000 0.804 235 F CA 0.835 58.895 58.000 0.100 0.000 1.161 235 F CB -2.540 36.414 39.000 -0.077 0.000 1.317 235 F HN 0.209 nan 8.300 nan 0.000 0.453 236 S N -1.315 114.502 115.700 0.194 0.000 2.524 236 S HA 0.260 4.730 4.470 0.000 0.000 0.216 236 S C 0.667 175.327 174.600 0.101 0.000 0.987 236 S CA -0.078 58.201 58.200 0.132 0.000 0.909 236 S CB 0.423 63.675 63.200 0.088 0.000 0.781 236 S HN 0.438 nan 8.310 nan 0.000 0.521 237 R N 0.349 120.917 120.500 0.113 0.000 2.673 237 R HA 0.797 5.137 4.340 0.000 0.000 0.281 237 R C -1.363 174.990 176.300 0.088 0.000 0.991 237 R CA -0.366 55.772 56.100 0.063 0.000 0.896 237 R CB 2.256 32.568 30.300 0.021 0.000 1.201 237 R HN 0.257 nan 8.270 nan 0.000 0.457 238 A N 1.784 124.605 122.820 0.001 0.000 2.498 238 A HA 0.705 5.025 4.320 0.000 0.000 0.298 238 A C -1.219 176.305 177.584 -0.099 0.000 1.075 238 A CA -0.658 51.312 52.037 -0.112 0.000 0.714 238 A CB 2.049 20.987 19.000 -0.104 0.000 1.299 238 A HN 0.355 nan 8.150 nan 0.000 0.407 239 V N 1.973 121.795 119.914 -0.153 0.000 2.444 239 V HA 0.387 4.507 4.120 0.000 0.000 0.294 239 V C -0.390 175.638 176.094 -0.109 0.000 1.022 239 V CA -0.330 61.912 62.300 -0.096 0.000 0.850 239 V CB 1.308 33.076 31.823 -0.090 0.000 0.992 239 V HN 0.796 nan 8.190 nan 0.000 0.426 240 L N 4.684 125.882 121.223 -0.041 0.000 2.278 240 L HA 0.510 4.850 4.340 0.000 0.000 0.287 240 L C 0.204 177.031 176.870 -0.071 0.000 1.072 240 L CA 0.189 54.975 54.840 -0.089 0.000 0.819 240 L CB 0.800 42.838 42.059 -0.034 0.000 1.176 240 L HN 0.763 nan 8.230 nan 0.000 0.435 241 E N 4.439 124.590 120.200 -0.082 0.000 2.145 241 E HA 0.617 4.967 4.350 0.000 0.000 0.270 241 E C -1.283 175.308 176.600 -0.016 0.000 0.906 241 E CA -0.737 55.636 56.400 -0.045 0.000 0.761 241 E CB 1.482 31.155 29.700 -0.045 0.000 1.116 241 E HN 0.705 nan 8.360 nan 0.000 0.408 242 A N 4.847 127.669 122.820 0.003 0.000 2.310 242 A HA 0.260 4.580 4.320 0.000 0.000 0.304 242 A C -0.590 177.016 177.584 0.036 0.000 1.231 242 A CA -0.646 51.417 52.037 0.044 0.000 0.799 242 A CB 0.924 19.953 19.000 0.048 0.000 1.162 242 A HN 0.733 nan 8.150 nan 0.000 0.486 243 E N 2.586 122.817 120.200 0.053 0.000 2.167 243 E HA 0.493 4.843 4.350 0.000 0.000 0.284 243 E C -1.210 175.386 176.600 -0.005 0.000 1.016 243 E CA -0.262 56.142 56.400 0.007 0.000 0.817 243 E CB 0.950 30.650 29.700 -0.001 0.000 1.080 243 E HN 0.386 nan 8.360 nan 0.000 0.397 244 V N 5.009 124.929 119.914 0.011 0.000 2.495 244 V HA 0.273 4.393 4.120 0.000 0.000 0.298 244 V C -0.350 175.812 176.094 0.114 0.000 1.031 244 V CA -0.802 61.538 62.300 0.067 0.000 0.871 244 V CB 1.629 33.476 31.823 0.040 0.000 0.988 244 V HN 0.732 nan 8.190 nan 0.000 0.432 245 Q N 4.027 123.883 119.800 0.094 0.000 2.306 245 Q HA 0.832 5.172 4.340 0.000 0.000 0.265 245 Q C -0.700 175.345 176.000 0.075 0.000 1.022 245 Q CA -0.855 54.990 55.803 0.071 0.000 0.853 245 Q CB 2.602 31.320 28.738 -0.034 0.000 1.327 245 Q HN 0.821 nan 8.270 nan 0.000 0.449 246 M N -0.873 118.693 119.600 -0.057 0.000 2.662 246 M HA 0.756 5.236 4.480 0.000 0.000 0.310 246 M C -1.450 174.743 176.300 -0.179 0.000 1.204 246 M CA -0.460 54.729 55.300 -0.184 0.000 0.891 246 M CB 1.710 33.975 32.600 -0.557 0.000 1.732 246 M HN 0.529 nan 8.290 nan 0.000 0.467 247 C N 1.080 120.286 119.300 -0.156 0.000 2.634 247 C HA 1.033 5.493 4.460 0.000 0.000 0.313 247 C C 0.580 175.487 174.990 -0.139 0.000 1.198 247 C CA 0.562 59.505 59.018 -0.126 0.000 1.605 247 C CB 0.993 28.687 27.740 -0.078 0.000 2.196 247 C HN 1.428 nan 8.230 nan 0.000 0.486 248 G N 1.765 110.494 108.800 -0.119 0.000 2.396 248 G HA2 0.002 3.962 3.960 0.000 0.000 0.254 248 G HA3 0.002 3.962 3.960 0.000 0.000 0.254 248 G C -1.037 173.789 174.900 -0.124 0.000 1.248 248 G CA -0.535 44.501 45.100 -0.107 0.000 1.033 248 G HN 0.908 nan 8.290 nan 0.000 0.502 249 E N 0.014 120.150 120.200 -0.108 0.000 2.223 249 E HA 0.446 4.796 4.350 0.000 0.000 0.282 249 E C 0.345 176.847 176.600 -0.164 0.000 1.046 249 E CA -0.484 55.850 56.400 -0.111 0.000 0.857 249 E CB 0.334 29.991 29.700 -0.072 0.000 1.055 249 E HN 0.437 nan 8.360 nan 0.000 0.409 250 L N 5.361 126.477 121.223 -0.179 0.000 2.410 250 L HA 0.231 4.571 4.340 0.000 0.000 0.273 250 L C 0.508 177.251 176.870 -0.211 0.000 1.144 250 L CA 0.099 54.810 54.840 -0.215 0.000 0.863 250 L CB 0.306 42.256 42.059 -0.181 0.000 1.140 250 L HN 0.400 nan 8.230 nan 0.000 0.463 251 R N 1.760 122.078 120.500 -0.302 0.000 2.744 251 R HA 0.210 4.550 4.340 0.000 0.000 0.279 251 R C -0.105 175.967 176.300 -0.380 0.000 0.977 251 R CA -0.826 55.003 56.100 -0.451 0.000 0.906 251 R CB 1.679 31.377 30.300 -1.003 0.000 1.197 251 R HN 0.490 nan 8.270 nan 0.000 0.463 252 D N 0.852 121.102 120.400 -0.249 0.000 2.263 252 D HA -0.137 4.503 4.640 0.000 0.000 0.208 252 D C 1.488 177.762 176.300 -0.043 0.000 0.971 252 D CA 1.474 55.419 54.000 -0.091 0.000 0.867 252 D CB 0.098 40.892 40.800 -0.011 0.000 0.929 252 D HN 0.566 nan 8.370 nan 0.000 0.492 253 Y N -0.377 119.936 120.300 0.022 0.000 2.546 253 Y HA 0.273 4.823 4.550 -0.000 0.000 0.287 253 Y C 0.646 176.550 175.900 0.007 0.000 1.158 253 Y CA -0.460 57.649 58.100 0.015 0.000 1.307 253 Y CB -0.856 37.614 38.460 0.017 0.000 1.036 253 Y HN -0.205 nan 8.280 nan 0.000 0.532 254 L N 2.807 123.974 121.223 -0.094 0.000 2.439 254 L HA 0.297 4.637 4.340 0.000 0.000 0.269 254 L C 0.193 177.038 176.870 -0.042 0.000 1.179 254 L CA -0.034 54.814 54.840 0.013 0.000 0.828 254 L CB 0.457 42.557 42.059 0.067 0.000 1.106 254 L HN 0.179 nan 8.230 nan 0.000 0.467 255 R N 1.910 122.276 120.500 -0.223 0.000 2.740 255 R HA 0.643 4.983 4.340 0.000 0.000 0.273 255 R C -1.500 174.443 176.300 -0.595 0.000 0.998 255 R CA -0.799 55.018 56.100 -0.472 0.000 0.900 255 R CB 2.217 32.134 30.300 -0.638 0.000 1.223 255 R HN 0.270 nan 8.270 nan 0.000 0.466 256 V N 1.235 120.838 119.914 -0.518 0.000 2.487 256 V HA 0.463 4.583 4.120 0.000 0.000 0.298 256 V C -0.163 175.860 176.094 -0.118 0.000 1.028 256 V CA -0.600 61.499 62.300 -0.334 0.000 0.860 256 V CB 2.104 33.670 31.823 -0.428 0.000 0.991 256 V HN 0.702 nan 8.190 nan 0.000 0.427 257 T N 4.190 118.789 114.554 0.075 0.000 2.779 257 T HA 0.582 4.932 4.350 0.000 0.000 0.280 257 T C -0.456 174.256 174.700 0.021 0.000 0.987 257 T CA -0.359 61.798 62.100 0.094 0.000 0.966 257 T CB 1.602 70.574 68.868 0.173 0.000 0.933 257 T HN 0.352 nan 8.240 nan 0.000 0.442 258 V N 3.485 123.393 119.914 -0.009 0.000 2.384 258 V HA 0.518 4.638 4.120 0.000 0.000 0.287 258 V C -0.020 176.069 176.094 -0.007 0.000 1.020 258 V CA -0.604 61.689 62.300 -0.012 0.000 0.850 258 V CB 1.665 33.472 31.823 -0.026 0.000 0.987 258 V HN 0.943 nan 8.190 nan 0.000 0.436 259 S N 4.882 120.598 115.700 0.027 0.000 2.537 259 S HA 0.797 5.267 4.470 0.000 0.000 0.301 259 S C -0.807 173.793 174.600 -0.000 0.000 1.092 259 S CA -0.506 57.676 58.200 -0.030 0.000 1.048 259 S CB 1.910 65.139 63.200 0.050 0.000 1.053 259 S HN 0.546 nan 8.310 nan 0.000 0.501 260 L N 2.335 123.460 121.223 -0.164 0.000 2.365 260 L HA 0.735 5.075 4.340 0.000 0.000 0.273 260 L C -2.132 174.638 176.870 -0.166 0.000 1.000 260 L CA -0.219 54.620 54.840 -0.001 0.000 0.819 260 L CB 0.986 43.082 42.059 0.061 0.000 1.284 260 L HN 0.751 nan 8.230 nan 0.000 0.418 261 W N 3.488 124.898 121.300 0.183 0.000 2.739 261 W HA 0.579 5.239 4.660 0.000 0.000 0.331 261 W C -0.735 175.870 176.519 0.142 0.000 1.049 261 W CA -0.535 56.888 57.345 0.129 0.000 1.234 261 W CB 1.595 31.082 29.460 0.045 0.000 1.404 261 W HN 0.384 nan 8.180 nan 0.000 0.477 262 Q N 2.572 122.507 119.800 0.224 0.000 2.431 262 Q HA 0.539 4.879 4.340 0.000 0.000 0.249 262 Q C 0.735 176.746 176.000 0.018 0.000 1.025 262 Q CA 0.616 56.366 55.803 -0.089 0.000 0.835 262 Q CB 0.756 29.350 28.738 -0.240 0.000 1.207 262 Q HN 0.753 nan 8.270 nan 0.000 0.490 263 G N 3.943 112.751 108.800 0.013 0.000 2.620 263 G HA2 -0.343 3.617 3.960 0.000 0.000 0.315 263 G HA3 -0.343 3.617 3.960 0.000 0.000 0.315 263 G C 0.429 175.382 174.900 0.088 0.000 1.179 263 G CA 0.470 45.585 45.100 0.026 0.000 0.971 263 G HN 0.609 nan 8.290 nan 0.000 0.544 264 E N 1.259 121.518 120.200 0.099 0.000 2.481 264 E HA 0.195 4.545 4.350 0.000 0.000 0.198 264 E C 0.519 177.317 176.600 0.330 0.000 1.027 264 E CA 0.583 57.065 56.400 0.136 0.000 0.900 264 E CB 0.590 30.319 29.700 0.049 0.000 0.993 264 E HN 0.403 nan 8.360 nan 0.000 0.482 265 T N 1.944 116.670 114.554 0.287 0.000 2.744 265 T HA 0.148 4.498 4.350 0.000 0.000 0.291 265 T C 0.081 174.858 174.700 0.128 0.000 0.957 265 T CA -0.311 61.907 62.100 0.197 0.000 1.002 265 T CB 1.686 70.600 68.868 0.076 0.000 0.919 265 T HN -0.035 nan 8.240 nan 0.000 0.468 266 Q N 2.837 122.510 119.800 -0.213 0.000 2.293 266 Q HA 0.203 4.543 4.340 0.000 0.000 0.263 266 Q C 1.061 176.836 176.000 -0.376 0.000 1.002 266 Q CA -0.340 54.970 55.803 -0.822 0.000 0.910 266 Q CB 0.756 28.736 28.738 -1.263 0.000 1.185 266 Q HN 0.725 nan 8.270 nan 0.000 0.401 267 V N 0.951 120.696 119.914 -0.282 0.000 3.125 267 V HA 0.553 4.673 4.120 0.000 0.000 0.249 267 V C 0.335 176.340 176.094 -0.148 0.000 1.113 267 V CA 0.748 62.974 62.300 -0.123 0.000 1.106 267 V CB 0.133 31.972 31.823 0.027 0.000 0.768 267 V HN 0.640 nan 8.190 nan 0.000 0.468 268 A N -0.730 121.967 122.820 -0.206 0.000 2.605 268 A HA 0.811 5.131 4.320 0.000 0.000 0.294 268 A C -0.723 176.747 177.584 -0.190 0.000 1.062 268 A CA 0.233 52.174 52.037 -0.160 0.000 0.682 268 A CB 1.647 20.588 19.000 -0.098 0.000 1.278 268 A HN 0.604 nan 8.150 nan 0.000 0.410 269 S N -0.637 114.981 115.700 -0.137 0.000 2.533 269 S HA 0.807 5.277 4.470 0.000 0.000 0.271 269 S C -0.548 174.011 174.600 -0.068 0.000 1.143 269 S CA 0.220 58.354 58.200 -0.110 0.000 0.891 269 S CB 1.682 64.807 63.200 -0.126 0.000 1.105 269 S HN 2.273 nan 8.310 nan 0.000 0.468 270 G N 1.807 110.578 108.800 -0.048 0.000 2.719 270 G HA2 0.633 4.593 3.960 0.000 0.000 0.298 270 G HA3 0.633 4.593 3.960 0.000 0.000 0.298 270 G C -1.349 173.535 174.900 -0.026 0.000 1.411 270 G CA -0.422 44.654 45.100 -0.039 0.000 0.991 270 G HN 0.696 nan 8.290 nan 0.000 0.509 271 T N -0.003 114.538 114.554 -0.022 0.000 2.876 271 T HA 0.845 5.195 4.350 0.000 0.000 0.289 271 T C -0.334 174.334 174.700 -0.055 0.000 1.014 271 T CA -0.160 61.931 62.100 -0.014 0.000 0.986 271 T CB 1.862 70.757 68.868 0.045 0.000 1.021 271 T HN 1.467 nan 8.240 nan 0.000 0.458 272 A N 3.521 126.274 122.820 -0.111 0.000 2.574 272 A HA 0.889 5.209 4.320 0.000 0.000 0.297 272 A C -3.052 174.402 177.584 -0.217 0.000 1.062 272 A CA -1.640 50.316 52.037 -0.135 0.000 0.686 272 A CB 1.365 20.286 19.000 -0.131 0.000 1.285 272 A HN 0.537 nan 8.150 nan 0.000 0.403 273 P HA 0.461 nan 4.420 nan 0.000 0.276 273 P C -0.502 176.681 177.300 -0.194 0.000 1.261 273 P CA -0.214 62.790 63.100 -0.161 0.000 0.800 273 P CB 0.353 32.022 31.700 -0.051 0.000 1.066 274 F N -0.070 119.840 119.950 -0.067 0.000 2.496 274 F HA 0.437 4.964 4.527 -0.000 0.000 0.344 274 F C 1.518 177.301 175.800 -0.029 0.000 1.155 274 F CA 1.623 59.594 58.000 -0.049 0.000 1.302 274 F CB 0.159 39.123 39.000 -0.060 0.000 1.159 274 F HN 0.578 nan 8.300 nan 0.000 0.595 275 G N 1.658 110.586 108.800 0.212 0.000 2.789 275 G HA2 0.353 4.314 3.960 0.000 0.000 0.353 275 G HA3 0.353 4.314 3.960 0.000 0.000 0.353 275 G C -0.505 174.452 174.900 0.095 0.000 1.220 275 G CA -0.752 44.424 45.100 0.126 0.000 1.204 275 G HN 1.032 nan 8.290 nan 0.000 0.574 276 G N 0.705 109.580 108.800 0.126 0.000 2.580 276 G HA2 0.691 4.651 3.960 0.000 0.000 0.278 276 G HA3 0.691 4.651 3.960 0.000 0.000 0.278 276 G C 0.451 175.399 174.900 0.080 0.000 1.212 276 G CA -0.004 45.163 45.100 0.112 0.000 0.939 276 G HN 1.122 nan 8.290 nan 0.000 0.513 277 E N -0.792 119.448 120.200 0.068 0.000 2.408 277 E HA 0.167 4.517 4.350 0.000 0.000 0.259 277 E C -0.268 176.360 176.600 0.047 0.000 1.110 277 E CA -0.508 55.920 56.400 0.046 0.000 0.929 277 E CB 0.885 30.607 29.700 0.036 0.000 0.971 277 E HN 0.297 nan 8.360 nan 0.000 0.438 278 I N 2.444 123.029 120.570 0.024 0.000 2.683 278 I HA -0.082 4.088 4.170 0.000 0.000 0.286 278 I C 1.076 177.202 176.117 0.016 0.000 1.175 278 I CA 0.446 61.752 61.300 0.010 0.000 1.429 278 I CB 0.177 38.177 38.000 0.000 0.000 1.371 278 I HN 0.626 nan 8.210 nan 0.000 0.569 279 I N 1.076 121.650 120.570 0.007 0.000 4.244 279 I HA 0.333 4.503 4.170 0.000 0.000 0.318 279 I C -0.088 176.029 176.117 -0.001 0.000 1.282 279 I CA -0.080 61.231 61.300 0.018 0.000 1.276 279 I CB 0.408 38.441 38.000 0.055 0.000 1.183 279 I HN 0.588 nan 8.210 nan 0.000 0.431 280 D N -0.080 120.306 120.400 -0.023 0.000 2.895 280 D HA 0.223 4.863 4.640 0.000 0.000 0.320 280 D C 0.379 176.662 176.300 -0.028 0.000 1.249 280 D CA -0.498 53.488 54.000 -0.023 0.000 0.997 280 D CB 0.546 41.330 40.800 -0.027 0.000 1.430 280 D HN -0.127 nan 8.370 nan 0.000 0.558 281 E N -1.064 119.121 120.200 -0.026 0.000 2.204 281 E HA -0.022 4.328 4.350 0.000 0.000 0.195 281 E C 1.311 177.892 176.600 -0.032 0.000 0.990 281 E CA 0.904 57.290 56.400 -0.024 0.000 0.821 281 E CB -0.000 29.688 29.700 -0.019 0.000 0.750 281 E HN 0.195 nan 8.360 nan 0.000 0.477 282 R N -0.066 120.406 120.500 -0.046 0.000 2.334 282 R HA 0.252 4.592 4.340 0.000 0.000 0.220 282 R C 0.814 177.072 176.300 -0.070 0.000 0.917 282 R CA 0.683 56.748 56.100 -0.057 0.000 1.073 282 R CB 0.212 30.470 30.300 -0.069 0.000 1.056 282 R HN 0.227 nan 8.270 nan 0.000 0.506 283 G N -0.522 108.241 108.800 -0.061 0.000 2.516 283 G HA2 -0.184 3.776 3.960 0.000 0.000 0.220 283 G HA3 -0.184 3.776 3.960 0.000 0.000 0.220 283 G C -0.032 174.821 174.900 -0.078 0.000 1.165 283 G CA -0.556 44.509 45.100 -0.058 0.000 1.013 283 G HN 0.542 nan 8.290 nan 0.000 0.590 284 G N -2.146 106.604 108.800 -0.083 0.000 3.086 284 G HA2 0.640 4.600 3.960 0.000 0.000 0.282 284 G HA3 0.640 4.600 3.960 0.000 0.000 0.282 284 G C -1.520 173.296 174.900 -0.140 0.000 1.343 284 G CA -0.610 44.440 45.100 -0.084 0.000 0.895 284 G HN 0.817 nan 8.290 nan 0.000 0.557 285 Y N 1.217 121.528 120.300 0.019 0.000 2.504 285 Y HA 0.413 4.963 4.550 0.000 0.000 0.351 285 Y C 1.515 177.433 175.900 0.030 0.000 0.988 285 Y CA 0.219 58.331 58.100 0.021 0.000 1.239 285 Y CB 1.608 40.087 38.460 0.030 0.000 1.128 285 Y HN 0.548 nan 8.280 nan 0.000 0.525 286 A N 1.931 124.821 122.820 0.116 0.000 2.067 286 A HA -0.156 4.164 4.320 0.000 0.000 0.219 286 A C 1.492 179.123 177.584 0.079 0.000 1.158 286 A CA 1.516 53.601 52.037 0.080 0.000 0.661 286 A CB -0.261 18.748 19.000 0.016 0.000 0.801 286 A HN 0.798 nan 8.150 nan 0.000 0.452 287 D N -0.964 119.478 120.400 0.070 0.000 2.358 287 D HA 0.121 4.761 4.640 0.000 0.000 0.224 287 D C 0.488 176.812 176.300 0.041 0.000 1.123 287 D CA -0.049 53.898 54.000 -0.089 0.000 0.833 287 D CB -0.034 40.704 40.800 -0.102 0.000 0.946 287 D HN 0.382 nan 8.370 nan 0.000 0.505 288 R N -0.766 119.892 120.500 0.263 0.000 2.837 288 R HA 0.748 5.088 4.340 0.000 0.000 0.271 288 R C -1.576 174.901 176.300 0.295 0.000 0.993 288 R CA -1.118 55.152 56.100 0.283 0.000 0.931 288 R CB 3.072 33.411 30.300 0.066 0.000 1.206 288 R HN -0.030 nan 8.270 nan 0.000 0.474 289 V N 0.410 120.402 119.914 0.130 0.000 3.048 289 V HA 0.471 4.591 4.120 0.000 0.000 0.303 289 V C -1.475 174.596 176.094 -0.039 0.000 1.214 289 V CA -0.313 61.975 62.300 -0.020 0.000 0.984 289 V CB 2.787 34.470 31.823 -0.233 0.000 1.054 289 V HN 0.804 nan 8.190 nan 0.000 0.430 290 T N 7.039 121.572 114.554 -0.034 0.000 2.786 290 T HA 0.657 5.007 4.350 0.000 0.000 0.283 290 T C -0.706 173.969 174.700 -0.041 0.000 0.992 290 T CA -0.181 61.904 62.100 -0.026 0.000 0.954 290 T CB 1.051 69.916 68.868 -0.006 0.000 0.934 290 T HN 0.485 nan 8.240 nan 0.000 0.440 291 L N 3.629 124.827 121.223 -0.042 0.000 2.317 291 L HA 0.619 4.959 4.340 0.000 0.000 0.281 291 L C 0.377 177.226 176.870 -0.034 0.000 1.024 291 L CA -0.707 54.106 54.840 -0.045 0.000 0.810 291 L CB 1.368 43.394 42.059 -0.054 0.000 1.240 291 L HN 0.366 nan 8.230 nan 0.000 0.427 292 R N 4.254 124.733 120.500 -0.036 0.000 2.439 292 R HA 0.648 4.988 4.340 0.000 0.000 0.310 292 R C -1.457 174.820 176.300 -0.037 0.000 0.955 292 R CA -0.596 55.483 56.100 -0.036 0.000 0.853 292 R CB 1.562 31.841 30.300 -0.035 0.000 1.171 292 R HN 0.478 nan 8.270 nan 0.000 0.449 293 L N 3.006 124.208 121.223 -0.035 0.000 2.333 293 L HA 0.432 4.772 4.340 0.000 0.000 0.280 293 L C -0.297 176.552 176.870 -0.035 0.000 1.004 293 L CA -1.135 53.684 54.840 -0.035 0.000 0.820 293 L CB 1.625 43.667 42.059 -0.029 0.000 1.247 293 L HN 0.456 nan 8.230 nan 0.000 0.416 294 N N 2.538 121.212 118.700 -0.043 0.000 2.497 294 N HA 0.292 5.032 4.740 0.000 0.000 0.271 294 N C -0.722 174.750 175.510 -0.063 0.000 1.142 294 N CA -0.136 52.885 53.050 -0.048 0.000 0.965 294 N CB 2.232 40.692 38.487 -0.044 0.000 1.077 294 N HN 0.207 nan 8.380 nan 0.000 0.462 295 V N 2.531 122.396 119.914 -0.082 0.000 2.409 295 V HA 0.191 4.311 4.120 0.000 0.000 0.290 295 V C -0.094 175.928 176.094 -0.119 0.000 1.017 295 V CA -0.863 61.348 62.300 -0.149 0.000 0.841 295 V CB 1.648 33.268 31.823 -0.338 0.000 1.003 295 V HN 0.444 nan 8.190 nan 0.000 0.426 296 E N 2.956 123.107 120.200 -0.082 0.000 2.283 296 E HA 0.296 4.646 4.350 0.000 0.000 0.278 296 E C 0.242 176.821 176.600 -0.035 0.000 1.027 296 E CA -0.479 55.896 56.400 -0.042 0.000 0.843 296 E CB 0.571 30.256 29.700 -0.026 0.000 1.062 296 E HN 0.738 nan 8.360 nan 0.000 0.401 297 N N 1.374 120.074 118.700 -0.000 0.000 2.686 297 N HA -0.151 4.589 4.740 0.000 0.000 0.261 297 N C -2.436 173.078 175.510 0.007 0.000 1.001 297 N CA 0.050 53.114 53.050 0.023 0.000 0.764 297 N CB -0.960 37.542 38.487 0.025 0.000 0.898 297 N HN 0.316 nan 8.380 nan 0.000 0.544 298 P HA -0.002 nan 4.420 nan 0.000 0.268 298 P C -0.450 176.878 177.300 0.047 0.000 1.205 298 P CA 0.330 63.337 63.100 -0.155 0.000 0.771 298 P CB 0.721 32.174 31.700 -0.412 0.000 0.858 299 K N 2.958 123.467 120.400 0.181 0.000 2.338 299 K HA 0.241 4.561 4.320 0.000 0.000 0.290 299 K C 0.211 176.978 176.600 0.279 0.000 1.069 299 K CA -0.271 56.133 56.287 0.195 0.000 0.941 299 K CB 0.005 32.590 32.500 0.142 0.000 1.023 299 K HN 0.427 nan 8.250 nan 0.000 0.477 300 L N 2.880 124.191 121.223 0.146 0.000 2.371 300 L HA 0.238 4.579 4.340 0.000 0.000 0.272 300 L C 0.103 177.042 176.870 0.114 0.000 1.124 300 L CA -0.766 54.153 54.840 0.132 0.000 0.816 300 L CB 0.368 42.350 42.059 -0.128 0.000 1.129 300 L HN 0.596 nan 8.230 nan 0.000 0.448 301 W N 3.994 125.322 121.300 0.048 0.000 2.272 301 W HA 0.419 5.079 4.660 0.000 0.000 0.318 301 W C 0.139 176.598 176.519 -0.099 0.000 1.255 301 W CA 0.245 57.602 57.345 0.020 0.000 1.200 301 W CB 1.094 30.618 29.460 0.108 0.000 1.170 301 W HN 0.630 nan 8.180 nan 0.000 0.549 302 S N 2.998 118.178 115.700 -0.866 0.000 2.615 302 S HA 0.623 5.093 4.470 0.000 0.000 0.269 302 S C 0.168 174.010 174.600 -1.264 0.000 1.161 302 S CA -0.411 57.299 58.200 -0.815 0.000 0.817 302 S CB 1.097 64.061 63.200 -0.393 0.000 1.131 302 S HN 0.982 nan 8.310 nan 0.000 0.467 303 A N 0.616 122.855 122.820 -0.967 0.000 2.019 303 A HA -0.005 4.315 4.320 0.000 0.000 0.219 303 A C 1.771 179.044 177.584 -0.518 0.000 1.164 303 A CA 1.693 53.190 52.037 -0.900 0.000 0.644 303 A CB -1.027 17.296 19.000 -1.129 0.000 0.805 303 A HN 0.883 nan 8.150 nan 0.000 0.449 304 E N -0.694 119.330 120.200 -0.293 0.000 2.046 304 E HA 0.021 4.371 4.350 0.000 0.000 0.190 304 E C -0.162 176.301 176.600 -0.228 0.000 0.982 304 E CA 0.782 57.062 56.400 -0.200 0.000 0.800 304 E CB -0.053 29.649 29.700 0.003 0.000 0.756 304 E HN 0.633 nan 8.360 nan 0.000 0.449 305 I N 1.947 122.365 120.570 -0.254 0.000 2.521 305 I HA 0.168 4.338 4.170 0.000 0.000 0.277 305 I C -2.445 173.455 176.117 -0.361 0.000 1.054 305 I CA -2.026 59.138 61.300 -0.225 0.000 1.117 305 I CB 2.007 39.929 38.000 -0.130 0.000 1.217 305 I HN -0.199 nan 8.210 nan 0.000 0.469 306 P HA 0.062 nan 4.420 nan 0.000 0.226 306 P C -0.615 176.655 177.300 -0.049 0.000 1.783 306 P CA -0.252 62.546 63.100 -0.503 0.000 0.980 306 P CB -0.295 31.247 31.700 -0.263 0.000 1.967 307 N N 1.814 120.515 118.700 0.002 0.000 2.411 307 N HA 0.068 4.808 4.740 0.000 0.000 0.265 307 N C 0.082 175.814 175.510 0.370 0.000 1.266 307 N CA 0.572 53.709 53.050 0.145 0.000 0.889 307 N CB 0.643 39.209 38.487 0.132 0.000 1.069 307 N HN 0.336 nan 8.380 nan 0.000 0.476 308 L N 2.720 124.093 121.223 0.250 0.000 2.381 308 L HA 0.456 4.796 4.340 0.000 0.000 0.268 308 L C -0.652 176.335 176.870 0.194 0.000 0.997 308 L CA -0.875 54.156 54.840 0.319 0.000 0.818 308 L CB 1.165 43.376 42.059 0.253 0.000 1.310 308 L HN 0.378 nan 8.230 nan 0.000 0.416 309 Y N 0.688 121.141 120.300 0.255 0.000 2.568 309 Y HA 0.626 5.176 4.550 0.000 0.000 0.327 309 Y C -0.052 175.970 175.900 0.203 0.000 1.163 309 Y CA -0.826 57.424 58.100 0.249 0.000 1.219 309 Y CB 1.442 40.115 38.460 0.355 0.000 1.308 309 Y HN 0.385 nan 8.280 nan 0.000 0.503 310 R N 1.008 121.742 120.500 0.389 0.000 2.393 310 R HA 0.778 5.118 4.340 0.000 0.000 0.315 310 R C -1.556 174.942 176.300 0.329 0.000 0.952 310 R CA -0.492 55.774 56.100 0.278 0.000 0.842 310 R CB 0.951 31.349 30.300 0.164 0.000 1.163 310 R HN 0.745 nan 8.270 nan 0.000 0.450 311 A N 3.856 126.812 122.820 0.227 0.000 2.292 311 A HA 0.608 4.928 4.320 0.000 0.000 0.319 311 A C -0.995 176.655 177.584 0.111 0.000 1.206 311 A CA -0.626 51.520 52.037 0.182 0.000 0.835 311 A CB 1.203 20.282 19.000 0.131 0.000 1.164 311 A HN 0.489 nan 8.150 nan 0.000 0.505 312 V N 3.564 123.548 119.914 0.116 0.000 2.409 312 V HA 0.344 4.464 4.120 0.000 0.000 0.291 312 V C -0.347 175.726 176.094 -0.035 0.000 1.020 312 V CA -0.521 61.793 62.300 0.023 0.000 0.848 312 V CB 1.558 33.424 31.823 0.072 0.000 0.990 312 V HN 0.611 nan 8.190 nan 0.000 0.430 313 V N 4.882 124.705 119.914 -0.150 0.000 2.318 313 V HA 0.379 4.499 4.120 0.000 0.000 0.271 313 V C 0.079 176.116 176.094 -0.095 0.000 1.030 313 V CA -0.516 61.674 62.300 -0.183 0.000 0.844 313 V CB 1.056 32.622 31.823 -0.428 0.000 1.015 313 V HN 0.910 nan 8.190 nan 0.000 0.460 314 E N 4.023 124.218 120.200 -0.008 0.000 2.134 314 E HA 0.458 4.808 4.350 0.000 0.000 0.278 314 E C -0.887 175.792 176.600 0.132 0.000 0.959 314 E CA -0.783 55.662 56.400 0.075 0.000 0.783 314 E CB 2.309 32.076 29.700 0.111 0.000 1.095 314 E HN 0.485 nan 8.360 nan 0.000 0.399 315 L N 4.873 126.153 121.223 0.094 0.000 2.264 315 L HA 0.369 4.709 4.340 0.000 0.000 0.289 315 L C -0.856 176.104 176.870 0.151 0.000 1.044 315 L CA 0.149 55.035 54.840 0.077 0.000 0.807 315 L CB 0.059 42.156 42.059 0.063 0.000 1.192 315 L HN 0.654 nan 8.230 nan 0.000 0.425 316 H N 0.259 119.361 119.070 0.054 0.000 2.933 316 H HA 0.775 5.331 4.556 -0.000 0.000 0.310 316 H C -0.738 174.656 175.328 0.110 0.000 1.351 316 H CA -0.504 55.583 56.048 0.065 0.000 1.137 316 H CB 0.721 30.505 29.762 0.036 0.000 1.853 316 H HN 0.506 nan 8.280 nan 0.000 0.539 317 T N -2.213 112.482 114.554 0.235 0.000 2.912 317 T HA 0.547 4.897 4.350 0.000 0.000 0.280 317 T C 1.435 176.276 174.700 0.236 0.000 0.989 317 T CA -0.385 61.854 62.100 0.231 0.000 0.995 317 T CB 1.466 70.437 68.868 0.172 0.000 1.077 317 T HN 0.931 nan 8.240 nan 0.000 0.531 318 A N 1.158 124.089 122.820 0.186 0.000 1.978 318 A HA -0.107 4.213 4.320 0.000 0.000 0.220 318 A C 1.876 179.531 177.584 0.118 0.000 1.170 318 A CA 1.943 54.067 52.037 0.145 0.000 0.636 318 A CB -1.163 17.909 19.000 0.121 0.000 0.810 318 A HN 0.997 nan 8.150 nan 0.000 0.448 319 D N -2.311 118.137 120.400 0.079 0.000 2.347 319 D HA 0.254 4.894 4.640 0.000 0.000 0.215 319 D C 1.154 177.480 176.300 0.045 0.000 0.976 319 D CA 1.114 55.138 54.000 0.040 0.000 0.884 319 D CB -0.498 40.301 40.800 -0.002 0.000 0.915 319 D HN 0.890 nan 8.370 nan 0.000 0.526 320 G N -1.045 107.808 108.800 0.088 0.000 2.154 320 G HA2 -0.196 3.764 3.960 0.000 0.000 0.186 320 G HA3 -0.196 3.764 3.960 0.000 0.000 0.186 320 G C 0.073 174.987 174.900 0.022 0.000 1.000 320 G CA 0.020 45.140 45.100 0.033 0.000 0.664 320 G HN 0.384 nan 8.290 nan 0.000 0.513 321 T N 1.639 116.234 114.554 0.068 0.000 2.729 321 T HA 0.496 4.846 4.350 0.000 0.000 0.296 321 T C 0.373 175.135 174.700 0.103 0.000 0.928 321 T CA -0.201 61.933 62.100 0.057 0.000 1.045 321 T CB 1.831 70.722 68.868 0.038 0.000 0.902 321 T HN 0.547 nan 8.240 nan 0.000 0.500 322 L N 4.915 126.180 121.223 0.070 0.000 2.410 322 L HA 0.332 4.672 4.340 0.000 0.000 0.273 322 L C 0.783 177.706 176.870 0.088 0.000 1.152 322 L CA 0.388 55.284 54.840 0.093 0.000 0.855 322 L CB 0.134 42.220 42.059 0.046 0.000 1.129 322 L HN 0.679 nan 8.230 nan 0.000 0.463 323 I N 2.643 123.275 120.570 0.103 0.000 2.499 323 I HA 0.117 4.287 4.170 0.000 0.000 0.243 323 I C 0.372 176.514 176.117 0.042 0.000 1.085 323 I CA 0.551 61.892 61.300 0.069 0.000 1.422 323 I CB 0.115 38.158 38.000 0.071 0.000 1.165 323 I HN 0.812 nan 8.210 nan 0.000 0.440 324 E N 0.142 120.367 120.200 0.041 0.000 2.437 324 E HA 0.739 5.089 4.350 0.000 0.000 0.280 324 E C -1.477 175.147 176.600 0.039 0.000 1.044 324 E CA -1.131 55.285 56.400 0.026 0.000 0.826 324 E CB 1.925 31.603 29.700 -0.037 0.000 1.358 324 E HN 0.009 nan 8.360 nan 0.000 0.459 325 A N 1.124 123.990 122.820 0.077 0.000 2.449 325 A HA 0.674 4.994 4.320 0.000 0.000 0.302 325 A C -1.053 176.635 177.584 0.174 0.000 1.048 325 A CA -0.757 51.333 52.037 0.088 0.000 0.708 325 A CB 1.632 20.686 19.000 0.090 0.000 1.274 325 A HN 0.517 nan 8.150 nan 0.000 0.410 326 E N -0.208 120.016 120.200 0.041 0.000 2.339 326 E HA 0.839 5.189 4.350 0.000 0.000 0.262 326 E C -0.501 176.108 176.600 0.014 0.000 0.934 326 E CA -0.604 55.872 56.400 0.126 0.000 0.802 326 E CB 2.417 32.057 29.700 -0.099 0.000 1.275 326 E HN 1.145 nan 8.360 nan 0.000 0.427 327 A N -0.044 122.901 122.820 0.208 0.000 2.610 327 A HA 0.732 5.052 4.320 0.000 0.000 0.291 327 A C -1.092 176.683 177.584 0.319 0.000 1.086 327 A CA -0.480 51.623 52.037 0.109 0.000 0.677 327 A CB 0.874 19.851 19.000 -0.039 0.000 1.278 327 A HN 0.843 nan 8.150 nan 0.000 0.414 328 C N -0.530 118.921 119.300 0.252 0.000 3.288 328 C HA 0.801 5.261 4.460 0.000 0.000 0.318 328 C C -1.341 173.748 174.990 0.164 0.000 1.356 328 C CA -0.969 58.196 59.018 0.245 0.000 1.359 328 C CB 1.151 29.059 27.740 0.279 0.000 1.688 328 C HN 0.803 nan 8.230 nan 0.000 0.467 329 D N 1.375 121.855 120.400 0.133 0.000 2.351 329 D HA 0.480 5.120 4.640 0.000 0.000 0.251 329 D C -0.241 176.112 176.300 0.089 0.000 1.137 329 D CA 0.250 54.328 54.000 0.130 0.000 0.879 329 D CB 1.665 42.545 40.800 0.133 0.000 1.181 329 D HN 0.541 nan 8.370 nan 0.000 0.448 330 V N 1.450 121.445 119.914 0.134 0.000 2.448 330 V HA 0.637 4.757 4.120 0.000 0.000 0.295 330 V C 0.675 176.844 176.094 0.124 0.000 1.025 330 V CA -0.879 61.450 62.300 0.048 0.000 0.859 330 V CB 1.975 33.801 31.823 0.005 0.000 0.988 330 V HN 0.599 nan 8.190 nan 0.000 0.431 331 G N 3.131 111.903 108.800 -0.047 0.000 2.437 331 G HA2 0.592 4.552 3.960 0.000 0.000 0.315 331 G HA3 0.592 4.552 3.960 0.000 0.000 0.315 331 G C -0.904 174.067 174.900 0.118 0.000 1.210 331 G CA -0.402 44.746 45.100 0.080 0.000 0.943 331 G HN 0.456 nan 8.290 nan 0.000 0.471 332 F N 2.618 122.751 119.950 0.304 0.000 2.494 332 F HA 0.397 4.924 4.527 -0.000 0.000 0.351 332 F C 1.149 177.193 175.800 0.407 0.000 1.205 332 F CA -0.107 58.136 58.000 0.405 0.000 1.125 332 F CB 0.517 39.745 39.000 0.380 0.000 1.268 332 F HN 0.544 nan 8.300 nan 0.000 0.593 333 R N 1.249 122.035 120.500 0.476 0.000 2.643 333 R HA 0.511 4.851 4.340 0.000 0.000 0.269 333 R C -1.600 174.845 176.300 0.241 0.000 1.037 333 R CA -1.030 55.190 56.100 0.199 0.000 0.894 333 R CB 1.594 32.054 30.300 0.267 0.000 1.238 333 R HN 0.407 nan 8.270 nan 0.000 0.459 334 E N 2.390 122.627 120.200 0.062 0.000 2.158 334 E HA 0.425 4.775 4.350 0.000 0.000 0.271 334 E C -1.226 175.441 176.600 0.111 0.000 0.911 334 E CA -1.034 55.489 56.400 0.205 0.000 0.767 334 E CB 1.973 31.884 29.700 0.352 0.000 1.120 334 E HN 0.463 nan 8.360 nan 0.000 0.405 335 V N 5.711 125.687 119.914 0.103 0.000 2.384 335 V HA 0.547 4.667 4.120 0.000 0.000 0.287 335 V C -0.210 175.923 176.094 0.066 0.000 1.020 335 V CA -0.656 61.678 62.300 0.056 0.000 0.850 335 V CB 1.044 32.877 31.823 0.016 0.000 0.987 335 V HN 0.715 nan 8.190 nan 0.000 0.436 336 R N 4.204 124.742 120.500 0.062 0.000 2.680 336 R HA 0.739 5.079 4.340 0.000 0.000 0.269 336 R C -1.873 174.454 176.300 0.047 0.000 1.026 336 R CA -0.932 55.206 56.100 0.064 0.000 0.889 336 R CB 1.944 32.296 30.300 0.087 0.000 1.241 336 R HN 0.503 nan 8.270 nan 0.000 0.463 337 I N 1.548 122.145 120.570 0.045 0.000 2.321 337 I HA 0.327 4.497 4.170 0.000 0.000 0.291 337 I C -0.362 175.778 176.117 0.040 0.000 0.998 337 I CA -0.308 61.013 61.300 0.035 0.000 1.227 337 I CB 1.619 39.641 38.000 0.036 0.000 1.368 337 I HN 0.679 nan 8.210 nan 0.000 0.466 338 E N 5.754 125.974 120.200 0.034 0.000 2.275 338 E HA 0.238 4.588 4.350 0.000 0.000 0.270 338 E C -0.297 176.318 176.600 0.025 0.000 0.882 338 E CA -0.616 55.805 56.400 0.035 0.000 0.758 338 E CB 1.105 30.831 29.700 0.044 0.000 1.195 338 E HN 0.554 nan 8.360 nan 0.000 0.419 339 N N 3.033 121.747 118.700 0.024 0.000 2.721 339 N HA -0.237 4.503 4.740 0.000 0.000 0.249 339 N C 0.384 175.901 175.510 0.013 0.000 1.072 339 N CA 1.970 55.030 53.050 0.018 0.000 0.710 339 N CB -1.137 37.360 38.487 0.016 0.000 0.993 339 N HN 0.940 nan 8.380 nan 0.000 0.547 340 G N -2.174 106.634 108.800 0.013 0.000 2.143 340 G HA2 -0.271 3.689 3.960 0.000 0.000 0.249 340 G HA3 -0.271 3.689 3.960 0.000 0.000 0.249 340 G C -0.159 174.738 174.900 -0.005 0.000 0.981 340 G CA 0.429 45.532 45.100 0.006 0.000 0.665 340 G HN 0.458 nan 8.290 nan 0.000 0.528 341 L N 0.047 121.268 121.223 -0.003 0.000 2.362 341 L HA 0.642 4.982 4.340 0.000 0.000 0.275 341 L C 0.187 177.049 176.870 -0.013 0.000 0.998 341 L CA -1.309 53.521 54.840 -0.016 0.000 0.820 341 L CB 1.895 43.946 42.059 -0.015 0.000 1.270 341 L HN 0.095 nan 8.230 nan 0.000 0.415 342 L N 4.848 126.052 121.223 -0.032 0.000 2.433 342 L HA 0.330 4.670 4.340 0.000 0.000 0.275 342 L C -0.760 176.089 176.870 -0.035 0.000 1.128 342 L CA 0.583 55.404 54.840 -0.032 0.000 0.875 342 L CB 0.119 42.145 42.059 -0.055 0.000 1.171 342 L HN 0.396 nan 8.230 nan 0.000 0.463 343 L N 6.184 127.402 121.223 -0.008 0.000 2.329 343 L HA 0.507 4.847 4.340 0.000 0.000 0.279 343 L C -0.718 176.158 176.870 0.010 0.000 1.014 343 L CA -0.797 54.048 54.840 0.007 0.000 0.814 343 L CB 1.806 43.892 42.059 0.045 0.000 1.257 343 L HN 0.530 nan 8.230 nan 0.000 0.424 344 L N 4.227 125.463 121.223 0.022 0.000 2.305 344 L HA 0.474 4.814 4.340 0.000 0.000 0.284 344 L C -0.059 176.827 176.870 0.027 0.000 1.013 344 L CA -0.017 54.846 54.840 0.038 0.000 0.819 344 L CB 0.842 42.937 42.059 0.060 0.000 1.227 344 L HN 0.586 nan 8.230 nan 0.000 0.417 345 N N 4.277 122.841 118.700 -0.226 0.000 2.716 345 N HA -0.224 4.516 4.740 0.000 0.000 0.250 345 N C 0.912 176.046 175.510 -0.626 0.000 1.033 345 N CA 1.290 53.840 53.050 -0.834 0.000 0.727 345 N CB -1.257 36.661 38.487 -0.947 0.000 0.950 345 N HN 1.166 nan 8.380 nan 0.000 0.541 346 G N -2.056 106.695 108.800 -0.083 0.000 2.179 346 G HA2 -0.341 3.619 3.960 0.000 0.000 0.260 346 G HA3 -0.341 3.619 3.960 0.000 0.000 0.260 346 G C -0.101 174.843 174.900 0.073 0.000 0.977 346 G CA 0.813 45.994 45.100 0.134 0.000 0.641 346 G HN 0.405 nan 8.290 nan 0.000 0.533 347 K N 0.854 121.282 120.400 0.047 0.000 2.270 347 K HA 0.521 4.841 4.320 0.000 0.000 0.255 347 K C -2.799 173.777 176.600 -0.039 0.000 0.936 347 K CA -2.197 54.079 56.287 -0.018 0.000 0.809 347 K CB 2.688 35.106 32.500 -0.136 0.000 1.131 347 K HN 0.071 nan 8.250 nan 0.000 0.427 348 P HA 0.183 nan 4.420 nan 0.000 0.276 348 P C -0.115 177.127 177.300 -0.098 0.000 1.253 348 P CA -0.251 62.809 63.100 -0.068 0.000 0.766 348 P CB 0.545 32.209 31.700 -0.061 0.000 0.845 349 L N 3.624 124.785 121.223 -0.104 0.000 2.439 349 L HA 0.210 4.550 4.340 0.000 0.000 0.269 349 L C 0.737 177.531 176.870 -0.126 0.000 1.179 349 L CA -0.545 54.221 54.840 -0.123 0.000 0.828 349 L CB 0.332 42.273 42.059 -0.197 0.000 1.106 349 L HN 0.289 nan 8.230 nan 0.000 0.467 350 L N 4.752 125.921 121.223 -0.091 0.000 2.353 350 L HA 0.405 4.745 4.340 0.000 0.000 0.270 350 L C -0.396 176.433 176.870 -0.068 0.000 1.003 350 L CA -0.218 54.553 54.840 -0.114 0.000 0.862 350 L CB 0.823 42.848 42.059 -0.056 0.000 1.221 350 L HN 0.266 nan 8.230 nan 0.000 0.430 351 I N 5.160 125.612 120.570 -0.196 0.000 2.421 351 I HA 0.157 4.327 4.170 0.000 0.000 0.291 351 I C 0.554 176.624 176.117 -0.078 0.000 1.089 351 I CA 0.241 61.431 61.300 -0.184 0.000 1.354 351 I CB 0.222 37.982 38.000 -0.399 0.000 1.413 351 I HN 0.564 nan 8.210 nan 0.000 0.513 352 R N 4.753 125.318 120.500 0.109 0.000 3.070 352 R HA 0.436 4.776 4.340 0.000 0.000 0.252 352 R C 0.549 177.005 176.300 0.260 0.000 1.370 352 R CA -0.257 55.977 56.100 0.223 0.000 1.482 352 R CB 0.762 31.036 30.300 -0.044 0.000 1.220 352 R HN 0.759 nan 8.270 nan 0.000 0.622 353 G N 0.104 109.006 108.800 0.170 0.000 2.509 353 G HA2 0.585 4.545 3.960 0.000 0.000 0.328 353 G HA3 0.585 4.545 3.960 0.000 0.000 0.328 353 G C -1.302 173.919 174.900 0.534 0.000 1.194 353 G CA -0.470 44.712 45.100 0.136 0.000 0.967 353 G HN 0.235 nan 8.290 nan 0.000 0.488 354 V N 0.193 120.405 119.914 0.496 0.000 3.012 354 V HA 0.449 4.569 4.120 0.000 0.000 0.307 354 V C -1.037 175.212 176.094 0.258 0.000 1.166 354 V CA -1.240 61.240 62.300 0.300 0.000 0.974 354 V CB 2.195 33.926 31.823 -0.153 0.000 1.040 354 V HN 0.768 nan 8.190 nan 0.000 0.428 355 N N 4.428 123.213 118.700 0.141 0.000 2.497 355 N HA 0.346 5.086 4.740 0.000 0.000 0.271 355 N C -0.621 174.732 175.510 -0.262 0.000 1.142 355 N CA -0.146 52.850 53.050 -0.091 0.000 0.965 355 N CB 1.173 39.612 38.487 -0.079 0.000 1.077 355 N HN 0.571 nan 8.380 nan 0.000 0.462 356 R N 2.457 122.761 120.500 -0.326 0.000 2.468 356 R HA 0.162 4.502 4.340 0.000 0.000 0.302 356 R C -0.674 175.388 176.300 -0.396 0.000 1.041 356 R CA -0.552 55.359 56.100 -0.314 0.000 0.899 356 R CB 0.470 30.569 30.300 -0.335 0.000 1.167 356 R HN 0.599 nan 8.270 nan 0.000 0.483 357 H N 2.004 120.891 119.070 -0.305 0.000 2.757 357 H HA 0.043 4.599 4.556 0.000 0.000 0.370 357 H C -0.364 174.943 175.328 -0.035 0.000 1.172 357 H CA 0.558 56.516 56.048 -0.151 0.000 1.426 357 H CB 1.072 30.797 29.762 -0.063 0.000 1.438 357 H HN 0.535 nan 8.280 nan 0.000 0.612 358 E N 1.976 122.355 120.200 0.299 0.000 1.996 358 E HA 0.097 4.447 4.350 0.000 0.000 0.280 358 E C -0.634 176.108 176.600 0.237 0.000 1.092 358 E CA 0.010 56.519 56.400 0.182 0.000 0.862 358 E CB 0.262 30.078 29.700 0.193 0.000 1.066 358 E HN 0.391 nan 8.360 nan 0.000 0.396 359 H N 1.776 120.899 119.070 0.087 0.000 2.856 359 H HA 0.237 4.793 4.556 0.000 0.000 0.355 359 H C -1.636 173.749 175.328 0.093 0.000 1.079 359 H CA -0.638 55.458 56.048 0.080 0.000 1.240 359 H CB 0.997 30.796 29.762 0.061 0.000 1.701 359 H HN 0.410 nan 8.280 nan 0.000 0.527 360 H N 6.183 124.922 119.070 -0.553 0.000 2.589 360 H HA 0.222 4.778 4.556 0.000 0.000 0.351 360 H C -2.262 172.692 175.328 -0.622 0.000 1.074 360 H CA -2.438 53.379 56.048 -0.386 0.000 1.203 360 H CB 2.773 32.456 29.762 -0.131 0.000 1.558 360 H HN 0.548 nan 8.280 nan 0.000 0.522 361 P HA -0.107 nan 4.420 nan 0.000 0.226 361 P C 1.081 178.243 177.300 -0.230 0.000 1.153 361 P CA 0.530 63.447 63.100 -0.306 0.000 0.777 361 P CB 0.860 32.423 31.700 -0.228 0.000 0.794 362 L N -1.581 119.596 121.223 -0.078 0.000 2.526 362 L HA 0.212 4.552 4.340 0.000 0.000 0.210 362 L C 1.808 178.491 176.870 -0.311 0.000 1.048 362 L CA 1.381 56.087 54.840 -0.223 0.000 0.852 362 L CB -0.572 41.280 42.059 -0.345 0.000 1.128 362 L HN -0.108 nan 8.230 nan 0.000 0.482 363 H N -1.232 117.839 119.070 0.003 0.000 2.549 363 H HA 0.509 5.065 4.556 0.000 0.000 0.279 363 H C 1.366 176.585 175.328 -0.181 0.000 1.018 363 H CA 0.251 56.199 56.048 -0.166 0.000 1.175 363 H CB 0.272 29.843 29.762 -0.318 0.000 1.485 363 H HN 0.388 nan 8.280 nan 0.000 0.543 364 G N 1.554 110.257 108.800 -0.162 0.000 2.601 364 G HA2 -0.409 3.551 3.960 0.000 0.000 0.306 364 G HA3 -0.409 3.551 3.960 0.000 0.000 0.306 364 G C 0.820 175.619 174.900 -0.169 0.000 1.172 364 G CA 0.543 45.492 45.100 -0.252 0.000 0.966 364 G HN 0.475 nan 8.290 nan 0.000 0.542 365 Q N -0.039 119.694 119.800 -0.112 0.000 2.219 365 Q HA 0.458 4.798 4.340 0.000 0.000 0.209 365 Q C 0.316 176.386 176.000 0.117 0.000 0.854 365 Q CA -0.117 55.662 55.803 -0.041 0.000 0.960 365 Q CB 1.451 30.057 28.738 -0.219 0.000 1.116 365 Q HN 0.374 nan 8.270 nan 0.000 0.500 366 V N 2.247 122.214 119.914 0.089 0.000 2.508 366 V HA 0.109 4.229 4.120 0.000 0.000 0.281 366 V C 0.229 176.353 176.094 0.051 0.000 1.041 366 V CA 0.341 62.701 62.300 0.099 0.000 1.016 366 V CB 0.688 32.511 31.823 0.000 0.000 0.984 366 V HN 0.322 nan 8.190 nan 0.000 0.478 367 M N 5.496 125.135 119.600 0.065 0.000 2.423 367 M HA 0.502 4.982 4.480 0.000 0.000 0.335 367 M C -0.355 175.877 176.300 -0.114 0.000 1.177 367 M CA -0.434 54.858 55.300 -0.014 0.000 1.038 367 M CB 1.809 34.389 32.600 -0.033 0.000 1.641 367 M HN 0.857 nan 8.290 nan 0.000 0.455 368 D N 0.245 120.582 120.400 -0.105 0.000 2.547 368 D HA 0.216 4.856 4.640 0.000 0.000 0.231 368 D C 0.106 176.370 176.300 -0.061 0.000 1.099 368 D CA -0.435 53.503 54.000 -0.103 0.000 0.901 368 D CB 1.842 42.595 40.800 -0.077 0.000 1.478 368 D HN 0.698 nan 8.370 nan 0.000 0.471 369 E N 0.389 120.567 120.200 -0.036 0.000 2.070 369 E HA -0.304 4.046 4.350 0.000 0.000 0.197 369 E C 1.855 178.494 176.600 0.066 0.000 1.004 369 E CA 1.616 58.031 56.400 0.025 0.000 0.805 369 E CB 0.138 29.868 29.700 0.050 0.000 0.744 369 E HN 0.564 nan 8.360 nan 0.000 0.451 370 Q N -0.495 119.344 119.800 0.065 0.000 2.050 370 Q HA -0.161 4.179 4.340 0.000 0.000 0.202 370 Q C 2.039 178.103 176.000 0.107 0.000 0.980 370 Q CA 2.188 58.042 55.803 0.086 0.000 0.840 370 Q CB -0.032 28.757 28.738 0.084 0.000 0.898 370 Q HN 0.286 nan 8.270 nan 0.000 0.424 371 T N 0.811 115.439 114.554 0.124 0.000 2.746 371 T HA -0.152 4.198 4.350 0.000 0.000 0.267 371 T C 1.797 176.587 174.700 0.149 0.000 1.039 371 T CA 1.523 63.718 62.100 0.158 0.000 1.142 371 T CB -0.143 68.855 68.868 0.217 0.000 0.866 371 T HN 0.308 nan 8.240 nan 0.000 0.444 372 M N 0.488 120.174 119.600 0.145 0.000 2.086 372 M HA -0.101 4.379 4.480 0.000 0.000 0.261 372 M C 2.488 178.901 176.300 0.188 0.000 1.067 372 M CA 1.400 56.849 55.300 0.250 0.000 1.116 372 M CB -0.613 32.154 32.600 0.279 0.000 1.348 372 M HN 0.099 nan 8.290 nan 0.000 0.407 373 V N 0.225 120.193 119.914 0.090 0.000 2.343 373 V HA -0.302 3.818 4.120 0.000 0.000 0.247 373 V C 2.326 178.397 176.094 -0.038 0.000 1.051 373 V CA 2.040 64.325 62.300 -0.025 0.000 1.036 373 V CB -0.891 30.961 31.823 0.049 0.000 0.654 373 V HN 0.567 nan 8.190 nan 0.000 0.451 374 Q N -0.311 119.524 119.800 0.057 0.000 2.096 374 Q HA -0.272 4.068 4.340 0.000 0.000 0.204 374 Q C 1.983 178.058 176.000 0.124 0.000 0.982 374 Q CA 2.152 58.011 55.803 0.092 0.000 0.850 374 Q CB -0.129 28.685 28.738 0.125 0.000 0.901 374 Q HN 0.624 nan 8.270 nan 0.000 0.422 375 D N 0.348 120.835 120.400 0.145 0.000 2.084 375 D HA -0.146 4.494 4.640 0.000 0.000 0.194 375 D C 1.954 178.187 176.300 -0.112 0.000 0.990 375 D CA 1.211 55.279 54.000 0.112 0.000 0.826 375 D CB -0.249 40.602 40.800 0.084 0.000 0.971 375 D HN 0.348 nan 8.370 nan 0.000 0.453 376 I N 0.725 121.226 120.570 -0.114 0.000 2.208 376 I HA -0.249 3.921 4.170 0.000 0.000 0.245 376 I C 2.471 178.445 176.117 -0.238 0.000 1.097 376 I CA 0.698 61.833 61.300 -0.276 0.000 1.363 376 I CB -0.193 37.523 38.000 -0.473 0.000 1.051 376 I HN 0.008 nan 8.210 nan 0.000 0.413 377 L N 0.106 121.221 121.223 -0.180 0.000 2.017 377 L HA -0.241 4.099 4.340 0.000 0.000 0.208 377 L C 2.607 179.540 176.870 0.105 0.000 1.073 377 L CA 1.541 56.368 54.840 -0.022 0.000 0.745 377 L CB -0.658 41.406 42.059 0.008 0.000 0.894 377 L HN 0.290 nan 8.230 nan 0.000 0.432 378 L N -0.985 120.325 121.223 0.146 0.000 2.046 378 L HA -0.254 4.086 4.340 0.000 0.000 0.208 378 L C 2.703 179.755 176.870 0.302 0.000 1.077 378 L CA 1.344 56.364 54.840 0.300 0.000 0.747 378 L CB -0.275 42.080 42.059 0.494 0.000 0.896 378 L HN 0.290 nan 8.230 nan 0.000 0.432 379 M N -0.666 118.921 119.600 -0.023 0.000 2.067 379 M HA -0.247 4.233 4.480 0.000 0.000 0.260 379 M C 2.290 178.699 176.300 0.182 0.000 1.069 379 M CA 1.911 57.132 55.300 -0.133 0.000 1.117 379 M CB -0.299 31.979 32.600 -0.537 0.000 1.334 379 M HN 0.054 nan 8.290 nan 0.000 0.407 380 K N -0.169 120.241 120.400 0.016 0.000 2.148 380 K HA -0.165 4.155 4.320 0.000 0.000 0.204 380 K C 1.945 178.569 176.600 0.040 0.000 1.050 380 K CA 1.192 57.406 56.287 -0.121 0.000 0.942 380 K CB -0.191 32.064 32.500 -0.409 0.000 0.724 380 K HN 0.442 nan 8.250 nan 0.000 0.446 381 Q N 0.354 120.330 119.800 0.293 0.000 2.291 381 Q HA -0.031 4.309 4.340 0.000 0.000 0.205 381 Q C 0.792 177.109 176.000 0.528 0.000 0.970 381 Q CA 0.748 56.834 55.803 0.472 0.000 0.876 381 Q CB 0.179 29.156 28.738 0.399 0.000 0.935 381 Q HN 0.269 nan 8.270 nan 0.000 0.455 382 N N 0.420 119.378 118.700 0.429 0.000 2.273 382 N HA 0.063 4.803 4.740 0.000 0.000 0.231 382 N C -0.648 174.968 175.510 0.176 0.000 1.134 382 N CA 0.030 53.314 53.050 0.390 0.000 0.856 382 N CB 0.775 39.575 38.487 0.521 0.000 1.068 382 N HN 0.145 nan 8.380 nan 0.000 0.510 383 N N 0.205 119.020 118.700 0.191 0.000 2.776 383 N HA -0.175 4.565 4.740 0.000 0.000 0.250 383 N C -0.922 174.522 175.510 -0.110 0.000 1.112 383 N CA 0.736 53.847 53.050 0.103 0.000 0.733 383 N CB -1.777 36.674 38.487 -0.060 0.000 1.097 383 N HN 0.245 nan 8.380 nan 0.000 0.558 384 F N 1.161 121.147 119.950 0.061 0.000 2.384 384 F HA 0.287 4.814 4.527 -0.000 0.000 0.338 384 F C 1.801 177.608 175.800 0.013 0.000 1.103 384 F CA -0.546 57.476 58.000 0.036 0.000 1.157 384 F CB 0.780 39.780 39.000 0.001 0.000 1.167 384 F HN 0.051 nan 8.300 nan 0.000 0.529 385 N N 0.796 119.630 118.700 0.222 0.000 2.159 385 N HA 0.400 5.140 4.740 0.000 0.000 0.217 385 N C -0.793 174.775 175.510 0.097 0.000 1.223 385 N CA -0.003 53.100 53.050 0.088 0.000 0.896 385 N CB 0.713 39.302 38.487 0.169 0.000 1.064 385 N HN 0.460 nan 8.380 nan 0.000 0.518 386 A N -0.401 122.556 122.820 0.228 0.000 2.572 386 A HA 0.758 5.078 4.320 0.000 0.000 0.295 386 A C -1.718 176.115 177.584 0.416 0.000 1.072 386 A CA -0.736 51.508 52.037 0.344 0.000 0.691 386 A CB 1.998 21.207 19.000 0.349 0.000 1.291 386 A HN 0.156 nan 8.150 nan 0.000 0.404 387 V N 1.448 121.658 119.914 0.493 0.000 2.760 387 V HA 0.745 4.865 4.120 0.000 0.000 0.309 387 V C -0.568 175.649 176.094 0.205 0.000 1.077 387 V CA -0.704 61.822 62.300 0.377 0.000 0.910 387 V CB 1.859 33.850 31.823 0.279 0.000 1.008 387 V HN 1.062 nan 8.190 nan 0.000 0.424 388 R N 5.105 125.551 120.500 -0.090 0.000 2.294 388 R HA 0.454 4.794 4.340 0.000 0.000 0.319 388 R C -0.655 175.492 176.300 -0.255 0.000 0.984 388 R CA -0.470 55.397 56.100 -0.389 0.000 0.861 388 R CB 0.922 30.764 30.300 -0.764 0.000 1.104 388 R HN 0.806 nan 8.270 nan 0.000 0.451 389 C N 4.546 123.732 119.300 -0.190 0.000 3.031 389 C HA 0.104 4.564 4.460 0.000 0.000 0.489 389 C C 0.562 175.281 174.990 -0.452 0.000 1.020 389 C CA -0.439 58.422 59.018 -0.261 0.000 1.104 389 C CB -2.128 25.577 27.740 -0.058 0.000 1.470 389 C HN 0.716 nan 8.230 nan 0.000 0.583 390 S N 1.449 116.742 115.700 -0.677 0.000 2.455 390 S HA 0.215 4.685 4.470 0.000 0.000 0.278 390 S C -0.091 173.523 174.600 -1.644 0.000 1.216 390 S CA -0.034 57.502 58.200 -1.107 0.000 1.055 390 S CB 0.187 62.686 63.200 -1.169 0.000 0.939 390 S HN 0.728 nan 8.310 nan 0.000 0.494 391 H N 3.727 122.126 119.070 -1.118 0.000 2.471 391 H HA 0.315 4.871 4.556 -0.000 0.000 0.234 391 H C -1.192 174.018 175.328 -0.198 0.000 1.388 391 H CA -0.334 55.469 56.048 -0.407 0.000 1.198 391 H CB -0.204 29.524 29.762 -0.058 0.000 1.714 391 H HN 0.877 nan 8.280 nan 0.000 0.536 392 Y N -2.837 117.546 120.300 0.138 0.000 2.662 392 Y HA 0.425 4.975 4.550 -0.000 0.000 0.334 392 Y C -3.298 172.698 175.900 0.161 0.000 1.185 392 Y CA -3.390 54.806 58.100 0.159 0.000 1.074 392 Y CB 0.085 38.645 38.460 0.168 0.000 1.330 392 Y HN -0.106 nan 8.280 nan 0.000 0.458 393 P HA 0.146 nan 4.420 nan 0.000 0.268 393 P C -0.708 176.864 177.300 0.453 0.000 1.204 393 P CA 0.287 63.631 63.100 0.406 0.000 0.768 393 P CB 0.603 32.476 31.700 0.289 0.000 0.842 394 N N 0.763 119.745 118.700 0.470 0.000 2.413 394 N HA 0.094 4.834 4.740 0.000 0.000 0.266 394 N C 0.017 175.744 175.510 0.361 0.000 1.238 394 N CA -0.369 52.868 53.050 0.310 0.000 0.972 394 N CB 0.003 38.467 38.487 -0.038 0.000 1.210 394 N HN 0.477 nan 8.380 nan 0.000 0.547 395 H N 2.112 121.275 119.070 0.155 0.000 3.140 395 H HA -0.041 4.515 4.556 0.000 0.000 0.316 395 H C -1.498 173.983 175.328 0.254 0.000 0.986 395 H CA -0.572 55.559 56.048 0.139 0.000 1.397 395 H CB 0.770 30.583 29.762 0.086 0.000 1.377 395 H HN 0.423 nan 8.280 nan 0.000 0.585 396 P HA -0.191 nan 4.420 nan 0.000 0.219 396 P C 1.795 179.380 177.300 0.474 0.000 1.146 396 P CA 0.633 63.949 63.100 0.360 0.000 0.808 396 P CB 0.259 32.032 31.700 0.121 0.000 0.779 397 L N -1.008 120.571 121.223 0.594 0.000 2.141 397 L HA -0.021 4.319 4.340 0.000 0.000 0.209 397 L C 2.433 179.468 176.870 0.276 0.000 1.094 397 L CA 1.357 56.433 54.840 0.393 0.000 0.763 397 L CB -1.376 40.870 42.059 0.312 0.000 0.908 397 L HN 0.002 nan 8.230 nan 0.000 0.437 398 W N -0.372 120.955 121.300 0.044 0.000 2.304 398 W HA -0.361 4.299 4.660 0.000 0.000 0.315 398 W C 2.096 178.477 176.519 -0.229 0.000 1.233 398 W CA 2.179 59.420 57.345 -0.173 0.000 1.261 398 W CB -0.420 28.826 29.460 -0.357 0.000 1.150 398 W HN 0.277 nan 8.180 nan 0.000 0.494 399 Y N 0.655 120.894 120.300 -0.102 0.000 2.200 399 Y HA -0.203 4.347 4.550 0.000 0.000 0.290 399 Y C 2.861 178.566 175.900 -0.325 0.000 1.137 399 Y CA 2.116 59.964 58.100 -0.420 0.000 1.163 399 Y CB -1.264 36.652 38.460 -0.907 0.000 0.988 399 Y HN -0.221 nan 8.280 nan 0.000 0.518 400 T N 0.857 115.435 114.554 0.041 0.000 2.684 400 T HA -0.194 4.156 4.350 0.000 0.000 0.267 400 T C 1.965 176.710 174.700 0.074 0.000 1.036 400 T CA 1.608 63.804 62.100 0.160 0.000 1.148 400 T CB -0.577 68.425 68.868 0.223 0.000 0.863 400 T HN 0.248 nan 8.240 nan 0.000 0.436 401 L N 0.192 121.417 121.223 0.003 0.000 2.093 401 L HA -0.065 4.275 4.340 0.000 0.000 0.208 401 L C 2.873 179.732 176.870 -0.017 0.000 1.085 401 L CA 0.789 55.651 54.840 0.037 0.000 0.755 401 L CB -0.680 41.386 42.059 0.012 0.000 0.904 401 L HN 0.376 nan 8.230 nan 0.000 0.435 402 C N -0.136 118.998 119.300 -0.276 0.000 2.440 402 C HA -0.131 4.329 4.460 0.000 0.000 0.278 402 C C 2.415 177.460 174.990 0.092 0.000 1.295 402 C CA 0.354 59.239 59.018 -0.223 0.000 1.738 402 C CB -0.744 26.743 27.740 -0.422 0.000 1.987 402 C HN 0.541 nan 8.230 nan 0.000 0.492 403 D N 0.582 121.048 120.400 0.110 0.000 2.104 403 D HA -0.121 4.519 4.640 0.000 0.000 0.194 403 D C 2.374 178.893 176.300 0.364 0.000 0.994 403 D CA 1.339 55.483 54.000 0.240 0.000 0.830 403 D CB -0.349 40.546 40.800 0.158 0.000 0.959 403 D HN 0.531 nan 8.370 nan 0.000 0.452 404 R N -1.065 119.532 120.500 0.162 0.000 2.080 404 R HA 0.028 4.368 4.340 0.000 0.000 0.222 404 R C 2.304 178.562 176.300 -0.071 0.000 1.107 404 R CA 0.500 56.620 56.100 0.033 0.000 0.980 404 R CB -0.200 30.042 30.300 -0.097 0.000 0.879 404 R HN 0.280 nan 8.270 nan 0.000 0.439 405 Y N 0.040 120.352 120.300 0.020 0.000 2.395 405 Y HA 0.123 4.673 4.550 0.000 0.000 0.293 405 Y C 1.041 176.870 175.900 -0.118 0.000 1.123 405 Y CA 0.815 58.897 58.100 -0.030 0.000 1.227 405 Y CB 0.509 38.925 38.460 -0.072 0.000 1.012 405 Y HN 0.249 nan 8.280 nan 0.000 0.552 406 G N 1.154 109.977 108.800 0.038 0.000 2.830 406 G HA2 -0.154 3.806 3.960 0.000 0.000 0.298 406 G HA3 -0.154 3.806 3.960 0.000 0.000 0.298 406 G C -1.171 173.573 174.900 -0.261 0.000 1.031 406 G CA -0.551 44.433 45.100 -0.193 0.000 1.179 406 G HN 0.172 nan 8.290 nan 0.000 0.527 407 L N 1.061 122.211 121.223 -0.122 0.000 2.455 407 L HA 0.486 4.826 4.340 0.000 0.000 0.264 407 L C 0.015 176.899 176.870 0.023 0.000 0.968 407 L CA -1.333 53.400 54.840 -0.179 0.000 0.827 407 L CB 1.980 43.956 42.059 -0.138 0.000 1.317 407 L HN 0.455 nan 8.230 nan 0.000 0.407 408 Y N 1.969 122.408 120.300 0.232 0.000 2.465 408 Y HA 0.303 4.853 4.550 -0.000 0.000 0.331 408 Y C 0.217 176.256 175.900 0.231 0.000 1.102 408 Y CA -0.703 57.561 58.100 0.274 0.000 1.358 408 Y CB 0.949 39.552 38.460 0.239 0.000 1.213 408 Y HN 0.149 nan 8.280 nan 0.000 0.525 409 V N 4.901 125.011 119.914 0.326 0.000 2.459 409 V HA 0.260 4.380 4.120 0.000 0.000 0.295 409 V C -0.377 175.808 176.094 0.152 0.000 1.029 409 V CA -1.007 61.428 62.300 0.225 0.000 0.874 409 V CB 1.688 33.620 31.823 0.182 0.000 0.985 409 V HN 0.478 nan 8.190 nan 0.000 0.438 410 V N 3.679 123.651 119.914 0.098 0.000 2.348 410 V HA 0.285 4.405 4.120 0.000 0.000 0.270 410 V C -0.139 175.994 176.094 0.065 0.000 1.037 410 V CA -0.313 61.993 62.300 0.010 0.000 0.872 410 V CB 1.331 33.058 31.823 -0.159 0.000 1.002 410 V HN 0.870 nan 8.190 nan 0.000 0.464 411 D N 4.274 124.754 120.400 0.133 0.000 2.280 411 D HA 0.295 4.935 4.640 0.000 0.000 0.243 411 D C -0.213 176.279 176.300 0.320 0.000 1.129 411 D CA -0.105 54.067 54.000 0.287 0.000 0.848 411 D CB 1.228 42.240 40.800 0.353 0.000 1.107 411 D HN 0.688 nan 8.370 nan 0.000 0.471 412 E N 2.028 122.379 120.200 0.251 0.000 2.176 412 E HA 0.606 4.956 4.350 0.000 0.000 0.267 412 E C -0.989 175.746 176.600 0.226 0.000 0.893 412 E CA -1.059 55.471 56.400 0.216 0.000 0.761 412 E CB 1.282 31.059 29.700 0.128 0.000 1.133 412 E HN 0.471 nan 8.360 nan 0.000 0.409 413 A N 4.062 127.009 122.820 0.211 0.000 2.498 413 A HA 0.020 4.340 4.320 0.000 0.000 0.239 413 A C 0.402 178.104 177.584 0.197 0.000 1.068 413 A CA -0.181 51.959 52.037 0.172 0.000 0.766 413 A CB 0.088 19.156 19.000 0.114 0.000 1.003 413 A HN 0.716 nan 8.150 nan 0.000 0.497 414 N N 1.529 120.354 118.700 0.208 0.000 3.027 414 N HA 0.179 4.919 4.740 0.000 0.000 0.309 414 N C -0.949 174.682 175.510 0.201 0.000 1.222 414 N CA 0.306 53.507 53.050 0.252 0.000 1.187 414 N CB -0.888 37.749 38.487 0.251 0.000 1.458 414 N HN 0.491 nan 8.380 nan 0.000 0.535 415 I N 1.244 121.927 120.570 0.189 0.000 2.476 415 I HA 0.220 4.390 4.170 0.000 0.000 0.281 415 I C -0.550 175.663 176.117 0.160 0.000 1.040 415 I CA -0.613 60.782 61.300 0.159 0.000 1.094 415 I CB 1.648 39.720 38.000 0.120 0.000 1.219 415 I HN 0.186 nan 8.210 nan 0.000 0.450 416 Q N 4.454 124.342 119.800 0.146 0.000 2.285 416 Q HA 0.475 4.815 4.340 0.000 0.000 0.269 416 Q C -0.537 175.517 176.000 0.091 0.000 1.030 416 Q CA -0.552 55.309 55.803 0.096 0.000 0.788 416 Q CB 2.063 30.831 28.738 0.049 0.000 1.266 416 Q HN 0.676 nan 8.270 nan 0.000 0.438 417 T N -0.091 114.512 114.554 0.081 0.000 3.448 417 T HA 0.149 4.499 4.350 0.000 0.000 0.271 417 T C 0.628 175.350 174.700 0.037 0.000 1.002 417 T CA -0.354 61.798 62.100 0.088 0.000 0.995 417 T CB -0.080 68.829 68.868 0.069 0.000 1.153 417 T HN 0.817 nan 8.240 nan 0.000 0.510 418 H N 0.934 119.899 119.070 -0.174 0.000 2.456 418 H HA -0.017 4.539 4.556 0.000 0.000 0.296 418 H C 2.120 177.304 175.328 -0.241 0.000 1.079 418 H CA 1.301 57.223 56.048 -0.210 0.000 1.322 418 H CB -0.114 29.495 29.762 -0.253 0.000 1.388 418 H HN 0.618 nan 8.280 nan 0.000 0.538 419 G N 0.447 108.988 108.800 -0.432 0.000 2.650 419 G HA2 -0.034 3.926 3.960 0.000 0.000 0.214 419 G HA3 -0.034 3.926 3.960 0.000 0.000 0.214 419 G C 0.661 175.590 174.900 0.050 0.000 1.136 419 G CA -0.273 44.611 45.100 -0.360 0.000 0.789 419 G HN 0.127 nan 8.290 nan 0.000 0.536 420 M N 0.857 120.530 119.600 0.122 0.000 2.248 420 M HA 0.249 4.729 4.480 0.000 0.000 0.337 420 M C -0.446 175.844 176.300 -0.017 0.000 1.121 420 M CA -0.148 55.205 55.300 0.088 0.000 1.155 420 M CB 1.344 33.970 32.600 0.043 0.000 1.514 420 M HN -0.212 nan 8.290 nan 0.000 0.452 421 V N 5.646 125.545 119.914 -0.024 0.000 2.376 421 V HA 0.367 4.487 4.120 0.000 0.000 0.287 421 V C -1.837 174.233 176.094 -0.039 0.000 1.015 421 V CA -1.315 60.957 62.300 -0.046 0.000 0.834 421 V CB 1.546 33.339 31.823 -0.051 0.000 1.001 421 V HN 0.729 nan 8.190 nan 0.000 0.428 422 P HA 0.246 nan 4.420 nan 0.000 0.277 422 P C 1.004 178.289 177.300 -0.025 0.000 1.276 422 P CA -0.535 62.545 63.100 -0.034 0.000 0.788 422 P CB 1.088 32.776 31.700 -0.020 0.000 1.114 423 M N 0.506 120.097 119.600 -0.014 0.000 2.267 423 M HA -0.164 4.316 4.480 0.000 0.000 0.263 423 M C 1.283 177.605 176.300 0.038 0.000 1.063 423 M CA 1.756 57.063 55.300 0.013 0.000 1.090 423 M CB -0.468 32.156 32.600 0.039 0.000 1.392 423 M HN 0.372 nan 8.290 nan 0.000 0.422 424 N N -0.057 118.666 118.700 0.039 0.000 2.313 424 N HA -0.079 4.661 4.740 0.000 0.000 0.207 424 N C 1.155 176.650 175.510 -0.024 0.000 1.141 424 N CA 0.196 53.272 53.050 0.043 0.000 0.830 424 N CB -0.669 37.863 38.487 0.076 0.000 1.008 424 N HN 0.373 nan 8.380 nan 0.000 0.481 425 R N 0.335 120.803 120.500 -0.052 0.000 2.105 425 R HA 0.039 4.379 4.340 0.000 0.000 0.239 425 R C 1.518 177.726 176.300 -0.153 0.000 1.135 425 R CA 1.133 57.181 56.100 -0.086 0.000 0.967 425 R CB 0.007 30.253 30.300 -0.089 0.000 0.861 425 R HN 0.268 nan 8.270 nan 0.000 0.442 426 L N -0.521 120.548 121.223 -0.256 0.000 2.127 426 L HA -0.021 4.319 4.340 0.000 0.000 0.203 426 L C 2.476 179.212 176.870 -0.222 0.000 1.080 426 L CA 1.399 55.967 54.840 -0.453 0.000 0.768 426 L CB -0.527 41.020 42.059 -0.854 0.000 0.924 426 L HN 0.357 nan 8.230 nan 0.000 0.444 427 T N -4.501 109.951 114.554 -0.170 0.000 3.035 427 T HA -0.144 4.206 4.350 0.000 0.000 0.268 427 T C 1.257 175.859 174.700 -0.163 0.000 1.109 427 T CA 1.087 63.065 62.100 -0.204 0.000 1.119 427 T CB -0.160 68.541 68.868 -0.278 0.000 0.900 427 T HN 0.102 nan 8.240 nan 0.000 0.503 428 D N 1.014 121.360 120.400 -0.090 0.000 2.349 428 D HA 0.100 4.740 4.640 0.000 0.000 0.214 428 D C -0.191 176.092 176.300 -0.029 0.000 1.063 428 D CA -0.178 53.782 54.000 -0.066 0.000 0.847 428 D CB -0.072 40.700 40.800 -0.048 0.000 0.933 428 D HN 0.294 nan 8.370 nan 0.000 0.513 429 D N 0.024 120.424 120.400 0.001 0.000 2.313 429 D HA 0.099 4.739 4.640 0.000 0.000 0.239 429 D C -1.588 174.761 176.300 0.082 0.000 1.142 429 D CA -2.171 51.868 54.000 0.066 0.000 0.847 429 D CB 1.887 42.780 40.800 0.155 0.000 1.082 429 D HN 0.010 nan 8.370 nan 0.000 0.480 430 P HA -0.119 nan 4.420 nan 0.000 0.222 430 P C 1.057 178.357 177.300 -0.000 0.000 1.147 430 P CA 0.581 63.688 63.100 0.010 0.000 0.790 430 P CB 0.418 32.115 31.700 -0.006 0.000 0.780 431 R N -1.546 118.958 120.500 0.006 0.000 2.189 431 R HA -0.073 4.267 4.340 0.000 0.000 0.223 431 R C 1.534 177.713 176.300 -0.202 0.000 1.092 431 R CA 1.036 57.076 56.100 -0.099 0.000 0.989 431 R CB -0.591 29.640 30.300 -0.115 0.000 0.876 431 R HN 0.372 nan 8.270 nan 0.000 0.457 432 W N -0.079 121.170 121.300 -0.086 0.000 3.220 432 W HA 0.119 4.779 4.660 0.000 0.000 0.328 432 W C 1.595 178.057 176.519 -0.094 0.000 1.205 432 W CA -0.529 56.765 57.345 -0.086 0.000 1.773 432 W CB -0.022 29.386 29.460 -0.086 0.000 1.086 432 W HN -0.022 nan 8.180 nan 0.000 0.622 433 L N 2.129 123.387 121.223 0.059 0.000 2.017 433 L HA -0.032 4.308 4.340 0.000 0.000 0.208 433 L C -0.641 176.200 176.870 -0.048 0.000 1.073 433 L CA 2.242 57.075 54.840 -0.012 0.000 0.745 433 L CB -1.681 40.358 42.059 -0.034 0.000 0.894 433 L HN -0.237 nan 8.230 nan 0.000 0.432 434 P HA -0.211 nan 4.420 nan 0.000 0.214 434 P C 1.603 178.858 177.300 -0.076 0.000 1.163 434 P CA 2.337 65.382 63.100 -0.093 0.000 0.889 434 P CB -0.245 31.387 31.700 -0.113 0.000 0.790 435 A N -1.330 121.464 122.820 -0.043 0.000 1.902 435 A HA -0.196 4.124 4.320 0.000 0.000 0.217 435 A C 2.231 179.842 177.584 0.045 0.000 1.181 435 A CA 1.962 54.011 52.037 0.020 0.000 0.623 435 A CB -1.434 17.621 19.000 0.091 0.000 0.818 435 A HN 0.115 nan 8.150 nan 0.000 0.443 436 M N 0.183 119.815 119.600 0.052 0.000 2.132 436 M HA -0.142 4.338 4.480 0.000 0.000 0.263 436 M C 2.563 178.814 176.300 -0.082 0.000 1.065 436 M CA 1.702 57.004 55.300 0.003 0.000 1.122 436 M CB -0.374 32.211 32.600 -0.025 0.000 1.365 436 M HN 0.665 nan 8.290 nan 0.000 0.411 437 S N 0.476 116.098 115.700 -0.130 0.000 2.370 437 S HA -0.197 4.273 4.470 0.000 0.000 0.226 437 S C 1.622 176.052 174.600 -0.284 0.000 1.033 437 S CA 1.530 59.581 58.200 -0.248 0.000 1.011 437 S CB -0.643 62.394 63.200 -0.271 0.000 0.852 437 S HN 0.519 nan 8.310 nan 0.000 0.457 438 E N 1.138 121.227 120.200 -0.186 0.000 2.110 438 E HA -0.115 4.235 4.350 0.000 0.000 0.193 438 E C 2.458 178.978 176.600 -0.133 0.000 0.988 438 E CA 1.081 57.384 56.400 -0.162 0.000 0.804 438 E CB -0.182 29.460 29.700 -0.096 0.000 0.745 438 E HN 0.587 nan 8.360 nan 0.000 0.458 439 R N 0.227 120.679 120.500 -0.080 0.000 2.115 439 R HA -0.070 4.270 4.340 0.000 0.000 0.230 439 R C 2.326 178.589 176.300 -0.061 0.000 1.111 439 R CA 0.701 56.782 56.100 -0.031 0.000 0.976 439 R CB 0.005 30.325 30.300 0.033 0.000 0.870 439 R HN 0.018 nan 8.270 nan 0.000 0.445 440 V N 0.189 120.023 119.914 -0.134 0.000 2.331 440 V HA -0.182 3.938 4.120 0.000 0.000 0.242 440 V C 2.481 178.400 176.094 -0.291 0.000 1.034 440 V CA 2.143 64.340 62.300 -0.172 0.000 1.027 440 V CB -0.370 31.351 31.823 -0.171 0.000 0.667 440 V HN 0.517 nan 8.190 nan 0.000 0.457 441 T N -0.694 113.563 114.554 -0.495 0.000 2.777 441 T HA -0.221 4.129 4.350 0.000 0.000 0.266 441 T C 1.949 176.497 174.700 -0.253 0.000 1.040 441 T CA 1.326 63.030 62.100 -0.660 0.000 1.141 441 T CB -0.391 67.909 68.868 -0.946 0.000 0.868 441 T HN 0.388 nan 8.240 nan 0.000 0.444 442 R N 0.226 120.602 120.500 -0.206 0.000 2.148 442 R HA 0.233 4.573 4.340 0.000 0.000 0.223 442 R C 2.620 178.851 176.300 -0.116 0.000 1.088 442 R CA 1.186 57.204 56.100 -0.137 0.000 0.985 442 R CB -0.434 29.793 30.300 -0.122 0.000 0.880 442 R HN 0.482 nan 8.270 nan 0.000 0.451 443 M N 0.577 120.113 119.600 -0.107 0.000 2.099 443 M HA -0.140 4.340 4.480 0.000 0.000 0.262 443 M C 1.842 178.069 176.300 -0.121 0.000 1.067 443 M CA 1.671 56.934 55.300 -0.063 0.000 1.124 443 M CB 0.092 32.692 32.600 0.001 0.000 1.353 443 M HN -0.023 nan 8.290 nan 0.000 0.410 444 V N 1.050 120.788 119.914 -0.292 0.000 2.343 444 V HA -0.294 3.826 4.120 0.000 0.000 0.247 444 V C 2.270 178.268 176.094 -0.160 0.000 1.051 444 V CA 2.019 64.030 62.300 -0.482 0.000 1.036 444 V CB -0.988 30.508 31.823 -0.545 0.000 0.654 444 V HN 0.591 nan 8.190 nan 0.000 0.451 445 Q N -0.696 119.050 119.800 -0.090 0.000 2.226 445 Q HA -0.220 4.120 4.340 0.000 0.000 0.204 445 Q C 2.461 178.395 176.000 -0.111 0.000 0.975 445 Q CA 1.493 57.258 55.803 -0.064 0.000 0.866 445 Q CB -0.155 28.563 28.738 -0.033 0.000 0.915 445 Q HN 0.543 nan 8.270 nan 0.000 0.440 446 R N 0.219 120.643 120.500 -0.127 0.000 2.090 446 R HA -0.076 4.264 4.340 0.000 0.000 0.219 446 R C 0.520 176.757 176.300 -0.105 0.000 1.100 446 R CA 1.246 57.246 56.100 -0.167 0.000 0.991 446 R CB 0.453 30.654 30.300 -0.166 0.000 0.893 446 R HN 0.137 nan 8.270 nan 0.000 0.443 447 D N -0.195 120.202 120.400 -0.005 0.000 2.398 447 D HA 0.000 4.640 4.640 0.000 0.000 0.210 447 D C 1.347 177.759 176.300 0.187 0.000 1.094 447 D CA 0.102 54.147 54.000 0.074 0.000 0.839 447 D CB 0.282 41.052 40.800 -0.050 0.000 0.963 447 D HN 0.354 nan 8.370 nan 0.000 0.506 448 R N 0.651 121.266 120.500 0.192 0.000 2.241 448 R HA 0.005 4.345 4.340 0.000 0.000 0.224 448 R C 0.801 177.110 176.300 0.015 0.000 1.101 448 R CA 0.911 57.142 56.100 0.218 0.000 0.995 448 R CB -0.268 30.091 30.300 0.099 0.000 0.870 448 R HN -0.075 nan 8.270 nan 0.000 0.463 449 N N 0.272 118.908 118.700 -0.106 0.000 2.336 449 N HA -0.003 4.737 4.740 0.000 0.000 0.189 449 N C -0.480 174.898 175.510 -0.220 0.000 1.113 449 N CA 0.257 53.204 53.050 -0.172 0.000 0.858 449 N CB 0.103 38.455 38.487 -0.225 0.000 0.970 449 N HN 0.295 nan 8.380 nan 0.000 0.471 450 H N 1.485 120.492 119.070 -0.106 0.000 2.800 450 H HA 0.100 4.656 4.556 0.000 0.000 0.291 450 H C -1.184 173.994 175.328 -0.249 0.000 1.076 450 H CA -1.210 54.757 56.048 -0.135 0.000 1.452 450 H CB 1.491 31.201 29.762 -0.085 0.000 1.461 450 H HN 0.070 nan 8.280 nan 0.000 0.488 451 P HA -0.148 nan 4.420 nan 0.000 0.220 451 P C 1.446 178.245 177.300 -0.835 0.000 1.148 451 P CA 1.047 63.778 63.100 -0.615 0.000 0.803 451 P CB 0.312 31.436 31.700 -0.961 0.000 0.782 452 S N -0.520 114.816 115.700 -0.605 0.000 2.399 452 S HA -0.051 4.419 4.470 0.000 0.000 0.231 452 S C 1.147 175.724 174.600 -0.038 0.000 1.022 452 S CA 0.442 58.483 58.200 -0.264 0.000 0.983 452 S CB -1.595 61.608 63.200 0.006 0.000 0.803 452 S HN -0.054 nan 8.310 nan 0.000 0.480 453 V N 3.907 123.769 119.914 -0.086 0.000 2.421 453 V HA 0.190 4.310 4.120 0.000 0.000 0.271 453 V C 1.146 177.095 176.094 -0.242 0.000 1.031 453 V CA 0.148 62.356 62.300 -0.152 0.000 1.032 453 V CB 0.043 31.685 31.823 -0.302 0.000 1.009 453 V HN 0.645 nan 8.190 nan 0.000 0.477 454 I N 2.544 123.031 120.570 -0.138 0.000 4.187 454 I HA 0.497 4.667 4.170 0.000 0.000 0.326 454 I C 0.409 176.415 176.117 -0.184 0.000 1.302 454 I CA 0.563 61.793 61.300 -0.118 0.000 1.196 454 I CB 0.482 38.496 38.000 0.024 0.000 1.095 454 I HN 0.318 nan 8.210 nan 0.000 0.411 455 I N 0.378 120.814 120.570 -0.223 0.000 2.607 455 I HA 0.334 4.504 4.170 0.000 0.000 0.290 455 I C -1.508 174.504 176.117 -0.176 0.000 1.129 455 I CA -0.414 60.797 61.300 -0.148 0.000 1.042 455 I CB 1.844 39.853 38.000 0.015 0.000 1.242 455 I HN 0.037 nan 8.210 nan 0.000 0.421 456 W N 4.317 125.669 121.300 0.087 0.000 2.365 456 W HA 0.569 5.229 4.660 -0.000 0.000 0.316 456 W C 0.568 177.156 176.519 0.114 0.000 1.164 456 W CA -0.518 56.885 57.345 0.096 0.000 1.204 456 W CB 1.498 31.010 29.460 0.088 0.000 1.213 456 W HN 0.330 nan 8.180 nan 0.000 0.539 457 S N 2.924 118.859 115.700 0.393 0.000 2.503 457 S HA 0.415 4.885 4.470 0.000 0.000 0.301 457 S C 0.254 175.019 174.600 0.276 0.000 1.087 457 S CA -0.728 57.649 58.200 0.295 0.000 1.042 457 S CB 0.847 64.174 63.200 0.211 0.000 1.043 457 S HN 0.580 nan 8.310 nan 0.000 0.489 458 L N 4.022 125.398 121.223 0.255 0.000 2.599 458 L HA 0.356 4.696 4.340 0.000 0.000 0.230 458 L C 1.361 178.293 176.870 0.103 0.000 1.141 458 L CA 0.491 55.404 54.840 0.122 0.000 0.877 458 L CB -0.946 41.093 42.059 -0.033 0.000 1.009 458 L HN 0.999 nan 8.230 nan 0.000 0.447 459 G N 0.143 109.085 108.800 0.238 0.000 2.265 459 G HA2 -0.141 3.819 3.960 0.000 0.000 0.246 459 G HA3 -0.141 3.819 3.960 0.000 0.000 0.246 459 G C -1.585 173.513 174.900 0.330 0.000 1.299 459 G CA -0.570 44.681 45.100 0.251 0.000 1.117 459 G HN 0.169 nan 8.290 nan 0.000 0.485 460 N N 0.142 118.981 118.700 0.232 0.000 2.371 460 N HA 0.475 5.215 4.740 0.000 0.000 0.280 460 N C -0.469 175.015 175.510 -0.043 0.000 1.084 460 N CA 0.095 53.140 53.050 -0.010 0.000 0.892 460 N CB 1.624 39.853 38.487 -0.431 0.000 1.653 460 N HN 0.886 nan 8.380 nan 0.000 0.480 461 E N 0.871 120.986 120.200 -0.142 0.000 2.160 461 E HA -0.179 4.171 4.350 0.000 0.000 0.180 461 E C -0.817 175.816 176.600 0.056 0.000 1.452 461 E CA 0.772 57.089 56.400 -0.139 0.000 0.683 461 E CB -1.208 28.246 29.700 -0.411 0.000 1.072 461 E HN 0.446 nan 8.360 nan 0.000 0.332 462 S N 0.108 115.936 115.700 0.212 0.000 2.843 462 S HA 0.403 4.873 4.470 0.000 0.000 0.249 462 S C 0.659 175.451 174.600 0.320 0.000 1.047 462 S CA -0.165 58.194 58.200 0.266 0.000 1.042 462 S CB 1.358 64.759 63.200 0.334 0.000 0.936 462 S HN 0.843 nan 8.310 nan 0.000 0.531 463 G N 2.013 110.948 108.800 0.225 0.000 2.598 463 G HA2 -0.270 3.690 3.960 0.000 0.000 0.269 463 G HA3 -0.270 3.690 3.960 0.000 0.000 0.269 463 G C -0.508 174.608 174.900 0.360 0.000 1.289 463 G CA -0.116 45.109 45.100 0.208 0.000 0.926 463 G HN 0.624 nan 8.290 nan 0.000 0.567 464 H N 0.652 119.854 119.070 0.220 0.000 2.727 464 H HA 0.581 5.137 4.556 -0.000 0.000 0.330 464 H C 0.344 175.844 175.328 0.286 0.000 0.986 464 H CA 0.060 56.281 56.048 0.288 0.000 1.251 464 H CB 0.722 30.587 29.762 0.172 0.000 1.493 464 H HN 1.045 nan 8.280 nan 0.000 0.515 465 G N 1.530 110.366 108.800 0.060 0.000 2.600 465 G HA2 0.452 4.412 3.960 0.000 0.000 0.303 465 G HA3 0.452 4.412 3.960 0.000 0.000 0.303 465 G C 0.597 175.332 174.900 -0.276 0.000 1.253 465 G CA -0.144 44.852 45.100 -0.172 0.000 0.974 465 G HN 0.671 nan 8.290 nan 0.000 0.483 466 A N 0.295 123.005 122.820 -0.184 0.000 1.978 466 A HA -0.112 4.208 4.320 0.000 0.000 0.220 466 A C 2.141 179.682 177.584 -0.071 0.000 1.170 466 A CA 1.972 53.947 52.037 -0.104 0.000 0.636 466 A CB -0.462 18.506 19.000 -0.054 0.000 0.810 466 A HN 0.536 nan 8.150 nan 0.000 0.448 467 N N -0.317 118.305 118.700 -0.130 0.000 2.223 467 N HA -0.143 4.597 4.740 0.000 0.000 0.185 467 N C 1.387 176.816 175.510 -0.135 0.000 1.016 467 N CA 1.697 54.660 53.050 -0.144 0.000 0.863 467 N CB -0.688 37.679 38.487 -0.200 0.000 0.983 467 N HN 0.794 nan 8.380 nan 0.000 0.429 468 H N 0.366 119.399 119.070 -0.062 0.000 2.353 468 H HA -0.028 4.528 4.556 -0.000 0.000 0.300 468 H C 1.276 176.661 175.328 0.094 0.000 1.090 468 H CA 1.265 57.288 56.048 -0.040 0.000 1.327 468 H CB 0.148 29.880 29.762 -0.052 0.000 1.383 468 H HN 0.175 nan 8.280 nan 0.000 0.508 469 D N 0.438 120.974 120.400 0.227 0.000 2.117 469 D HA -0.138 4.502 4.640 0.000 0.000 0.197 469 D C 2.329 178.775 176.300 0.243 0.000 0.987 469 D CA 1.197 55.341 54.000 0.240 0.000 0.829 469 D CB -0.454 40.452 40.800 0.177 0.000 0.961 469 D HN 0.423 nan 8.370 nan 0.000 0.460 470 A N 0.793 123.703 122.820 0.150 0.000 1.883 470 A HA -0.136 4.184 4.320 0.000 0.000 0.217 470 A C 2.409 180.094 177.584 0.169 0.000 1.186 470 A CA 1.079 53.195 52.037 0.131 0.000 0.624 470 A CB -0.772 18.263 19.000 0.060 0.000 0.822 470 A HN 0.215 nan 8.150 nan 0.000 0.444 471 L N -2.284 119.026 121.223 0.146 0.000 2.240 471 L HA -0.086 4.254 4.340 0.000 0.000 0.211 471 L C 2.514 179.525 176.870 0.236 0.000 1.106 471 L CA 1.153 56.082 54.840 0.149 0.000 0.793 471 L CB -0.597 41.482 42.059 0.034 0.000 0.927 471 L HN 0.601 nan 8.230 nan 0.000 0.446 472 Y N 1.395 121.778 120.300 0.139 0.000 2.128 472 Y HA -0.344 4.206 4.550 0.000 0.000 0.284 472 Y C 2.823 178.804 175.900 0.134 0.000 1.154 472 Y CA 1.855 60.040 58.100 0.142 0.000 1.149 472 Y CB -0.133 38.414 38.460 0.145 0.000 0.976 472 Y HN -0.028 nan 8.280 nan 0.000 0.505 473 R N -0.120 120.462 120.500 0.136 0.000 2.092 473 R HA -0.199 4.141 4.340 0.000 0.000 0.231 473 R C 2.054 178.348 176.300 -0.010 0.000 1.119 473 R CA 1.913 58.023 56.100 0.017 0.000 0.970 473 R CB -1.531 28.858 30.300 0.149 0.000 0.864 473 R HN 0.650 nan 8.270 nan 0.000 0.440 474 W N 0.634 121.889 121.300 -0.076 0.000 2.318 474 W HA -0.184 4.476 4.660 0.000 0.000 0.313 474 W C 1.629 178.059 176.519 -0.150 0.000 1.221 474 W CA 2.209 59.497 57.345 -0.095 0.000 1.266 474 W CB -0.262 29.148 29.460 -0.084 0.000 1.150 474 W HN 0.099 nan 8.180 nan 0.000 0.496 475 I N 0.705 121.247 120.570 -0.047 0.000 2.252 475 I HA -0.324 3.846 4.170 0.000 0.000 0.245 475 I C 2.399 178.311 176.117 -0.342 0.000 1.102 475 I CA 1.287 62.411 61.300 -0.294 0.000 1.385 475 I CB -0.783 37.133 38.000 -0.140 0.000 1.064 475 I HN -0.123 nan 8.210 nan 0.000 0.414 476 K N 0.381 120.592 120.400 -0.315 0.000 2.152 476 K HA -0.144 4.176 4.320 0.000 0.000 0.206 476 K C 2.270 178.729 176.600 -0.235 0.000 1.048 476 K CA 1.280 57.402 56.287 -0.275 0.000 0.933 476 K CB -0.458 31.828 32.500 -0.355 0.000 0.721 476 K HN 0.238 nan 8.250 nan 0.000 0.447 477 S N 0.756 116.279 115.700 -0.296 0.000 2.362 477 S HA -0.078 4.392 4.470 0.000 0.000 0.221 477 S C 2.016 176.402 174.600 -0.357 0.000 1.032 477 S CA 1.122 59.153 58.200 -0.282 0.000 0.973 477 S CB -0.075 62.961 63.200 -0.273 0.000 0.849 477 S HN 0.170 nan 8.310 nan 0.000 0.465 478 V N -0.684 118.876 119.914 -0.589 0.000 2.788 478 V HA 0.255 4.375 4.120 0.000 0.000 0.251 478 V C 0.345 176.195 176.094 -0.407 0.000 1.068 478 V CA 1.473 63.411 62.300 -0.603 0.000 1.090 478 V CB -0.394 30.808 31.823 -1.035 0.000 0.710 478 V HN 0.426 nan 8.190 nan 0.000 0.467 479 D N 0.969 121.172 120.400 -0.327 0.000 2.405 479 D HA 0.377 5.017 4.640 0.000 0.000 0.264 479 D C -2.019 174.256 176.300 -0.042 0.000 1.240 479 D CA -1.861 52.061 54.000 -0.129 0.000 0.893 479 D CB 1.635 42.441 40.800 0.010 0.000 1.198 479 D HN 0.220 nan 8.370 nan 0.000 0.514 480 P HA -0.040 nan 4.420 nan 0.000 0.242 480 P C 0.998 178.309 177.300 0.019 0.000 1.197 480 P CA 0.370 63.455 63.100 -0.025 0.000 0.765 480 P CB 0.170 31.849 31.700 -0.035 0.000 0.936 481 S N -1.093 114.628 115.700 0.034 0.000 2.496 481 S HA 0.071 4.541 4.470 0.000 0.000 0.224 481 S C 0.950 175.570 174.600 0.033 0.000 0.996 481 S CA -0.185 58.039 58.200 0.041 0.000 0.927 481 S CB -0.330 62.887 63.200 0.029 0.000 0.774 481 S HN 0.087 nan 8.310 nan 0.000 0.524 482 R N 1.437 121.968 120.500 0.052 0.000 2.561 482 R HA 0.542 4.882 4.340 0.000 0.000 0.297 482 R C -3.172 173.176 176.300 0.079 0.000 0.969 482 R CA -2.300 53.797 56.100 -0.004 0.000 0.879 482 R CB 1.488 31.652 30.300 -0.227 0.000 1.178 482 R HN 0.165 nan 8.270 nan 0.000 0.445 483 P HA 0.039 nan 4.420 nan 0.000 0.270 483 P C -0.755 176.654 177.300 0.181 0.000 1.223 483 P CA -0.332 62.833 63.100 0.108 0.000 0.785 483 P CB 0.626 32.375 31.700 0.082 0.000 0.923 484 V N 2.211 122.268 119.914 0.238 0.000 2.459 484 V HA 0.418 4.538 4.120 0.000 0.000 0.295 484 V C 0.215 176.499 176.094 0.316 0.000 1.029 484 V CA -0.332 62.162 62.300 0.323 0.000 0.874 484 V CB 1.112 33.131 31.823 0.328 0.000 0.985 484 V HN 0.614 nan 8.190 nan 0.000 0.438 485 Q N 3.784 123.748 119.800 0.273 0.000 2.433 485 Q HA 0.808 5.148 4.340 0.000 0.000 0.279 485 Q C -1.862 174.302 176.000 0.274 0.000 1.105 485 Q CA -0.901 55.028 55.803 0.211 0.000 0.815 485 Q CB 2.973 31.785 28.738 0.122 0.000 1.403 485 Q HN 0.657 nan 8.270 nan 0.000 0.435 486 Y N 0.081 120.395 120.300 0.024 0.000 2.409 486 Y HA 0.150 4.700 4.550 0.000 0.000 0.321 486 Y C -0.472 175.380 175.900 -0.080 0.000 1.209 486 Y CA -0.729 57.355 58.100 -0.025 0.000 1.086 486 Y CB 2.069 40.504 38.460 -0.042 0.000 1.320 486 Y HN 0.945 nan 8.280 nan 0.000 0.440 487 E N 3.335 123.058 120.200 -0.795 0.000 2.190 487 E HA 0.121 4.471 4.350 0.000 0.000 0.191 487 E C 0.705 176.871 176.600 -0.723 0.000 0.978 487 E CA 0.798 56.836 56.400 -0.603 0.000 0.839 487 E CB 0.172 29.639 29.700 -0.389 0.000 0.787 487 E HN 0.899 nan 8.360 nan 0.000 0.473 488 G N -0.220 107.757 108.800 -1.372 0.000 2.562 488 G HA2 0.212 4.172 3.960 0.000 0.000 0.233 488 G HA3 0.212 4.172 3.960 0.000 0.000 0.233 488 G C 0.786 175.561 174.900 -0.209 0.000 1.266 488 G CA 0.344 45.065 45.100 -0.631 0.000 0.852 488 G HN 0.369 nan 8.290 nan 0.000 0.581 489 G N -0.594 108.191 108.800 -0.025 0.000 2.160 489 G HA2 0.235 4.195 3.960 0.000 0.000 0.251 489 G HA3 0.235 4.195 3.960 0.000 0.000 0.251 489 G C 1.287 176.203 174.900 0.027 0.000 1.008 489 G CA 0.974 46.112 45.100 0.064 0.000 0.724 489 G HN 2.654 nan 8.290 nan 0.000 0.514 490 G N -1.495 107.316 108.800 0.018 0.000 2.168 490 G HA2 0.429 4.389 3.960 0.000 0.000 0.197 490 G HA3 0.429 4.389 3.960 0.000 0.000 0.197 490 G C 1.018 176.049 174.900 0.220 0.000 0.997 490 G CA 1.259 46.431 45.100 0.119 0.000 0.658 490 G HN 2.381 nan 8.290 nan 0.000 0.513 491 A N -0.390 122.443 122.820 0.022 0.000 3.396 491 A HA -0.115 4.205 4.320 0.000 0.000 0.267 491 A C 1.115 178.646 177.584 -0.088 0.000 1.139 491 A CA 2.586 54.576 52.037 -0.079 0.000 1.115 491 A CB -1.749 17.184 19.000 -0.111 0.000 1.133 491 A HN 2.132 nan 8.150 nan 0.000 0.920 492 D N -0.715 119.715 120.400 0.050 0.000 2.692 492 D HA 0.316 4.956 4.640 0.000 0.000 0.290 492 D C 0.423 176.721 176.300 -0.002 0.000 1.455 492 D CA 0.851 54.884 54.000 0.054 0.000 0.796 492 D CB -1.126 39.851 40.800 0.295 0.000 1.131 492 D HN 0.820 nan 8.370 nan 0.000 0.467 493 T N -2.474 112.010 114.554 -0.117 0.000 2.689 493 T HA 0.205 4.555 4.350 0.000 0.000 0.308 493 T C 1.593 176.155 174.700 -0.230 0.000 1.021 493 T CA 0.422 62.372 62.100 -0.251 0.000 0.973 493 T CB 0.783 69.255 68.868 -0.661 0.000 1.113 493 T HN 0.083 nan 8.240 nan 0.000 0.522 494 T N -2.669 111.739 114.554 -0.244 0.000 3.163 494 T HA 0.227 4.577 4.350 0.000 0.000 0.260 494 T C 1.474 175.936 174.700 -0.396 0.000 1.156 494 T CA 0.242 62.224 62.100 -0.198 0.000 1.072 494 T CB -0.505 68.331 68.868 -0.054 0.000 0.937 494 T HN 0.828 nan 8.240 nan 0.000 0.528 495 A N 0.344 122.952 122.820 -0.354 0.000 2.460 495 A HA 0.519 4.839 4.320 0.000 0.000 0.258 495 A C 0.799 178.216 177.584 -0.278 0.000 1.300 495 A CA -0.314 51.493 52.037 -0.382 0.000 0.913 495 A CB 0.146 19.201 19.000 0.091 0.000 1.031 495 A HN 0.424 nan 8.150 nan 0.000 0.512 496 T N -1.266 113.125 114.554 -0.271 0.000 2.971 496 T HA 0.356 4.706 4.350 0.000 0.000 0.304 496 T C -0.628 174.076 174.700 0.007 0.000 1.038 496 T CA -0.446 61.638 62.100 -0.026 0.000 1.007 496 T CB 1.205 70.068 68.868 -0.008 0.000 1.055 496 T HN 0.093 nan 8.240 nan 0.000 0.451 497 D N 2.925 123.411 120.400 0.143 0.000 2.348 497 D HA 0.240 4.880 4.640 0.000 0.000 0.211 497 D C 0.377 176.707 176.300 0.050 0.000 0.998 497 D CA 0.762 54.841 54.000 0.131 0.000 0.873 497 D CB 0.437 41.350 40.800 0.189 0.000 0.925 497 D HN 0.548 nan 8.370 nan 0.000 0.524 498 I N 1.001 121.582 120.570 0.020 0.000 2.533 498 I HA 0.248 4.418 4.170 0.000 0.000 0.290 498 I C -0.226 175.829 176.117 -0.104 0.000 1.056 498 I CA -0.917 60.361 61.300 -0.036 0.000 1.057 498 I CB 2.719 40.708 38.000 -0.017 0.000 1.240 498 I HN -0.344 nan 8.210 nan 0.000 0.423 499 I N 5.833 126.295 120.570 -0.180 0.000 2.578 499 I HA 0.002 4.172 4.170 0.000 0.000 0.286 499 I C 0.325 176.233 176.117 -0.349 0.000 1.126 499 I CA 0.150 61.244 61.300 -0.342 0.000 1.380 499 I CB -0.010 37.673 38.000 -0.528 0.000 1.408 499 I HN 0.691 nan 8.210 nan 0.000 0.532 500 C N 5.741 124.849 119.300 -0.319 0.000 3.401 500 C HA 0.473 4.933 4.460 0.000 0.000 0.204 500 C C -2.137 172.716 174.990 -0.228 0.000 1.522 500 C CA -2.223 56.662 59.018 -0.222 0.000 1.409 500 C CB -0.926 26.743 27.740 -0.117 0.000 1.967 500 C HN 0.430 nan 8.230 nan 0.000 0.496 501 P HA 0.278 nan 4.420 nan 0.000 0.272 501 P C -0.378 176.865 177.300 -0.095 0.000 1.240 501 P CA 0.343 63.344 63.100 -0.164 0.000 0.791 501 P CB 0.809 32.427 31.700 -0.137 0.000 0.978 502 M N 0.562 120.125 119.600 -0.061 0.000 2.101 502 M HA 0.420 4.900 4.480 0.000 0.000 0.340 502 M C -0.767 175.522 176.300 -0.018 0.000 1.057 502 M CA -0.601 54.557 55.300 -0.236 0.000 0.984 502 M CB 0.692 33.123 32.600 -0.283 0.000 1.560 502 M HN 0.328 nan 8.290 nan 0.000 0.435 503 Y N -0.023 120.432 120.300 0.258 0.000 4.272 503 Y HA -0.215 4.335 4.550 0.000 0.000 0.232 503 Y C 0.564 176.637 175.900 0.289 0.000 1.149 503 Y CA 0.386 58.649 58.100 0.272 0.000 1.961 503 Y CB -2.246 36.347 38.460 0.222 0.000 1.611 503 Y HN 0.978 nan 8.280 nan 0.000 0.682 504 A N 1.169 124.212 122.820 0.372 0.000 2.477 504 A HA 0.518 4.838 4.320 0.000 0.000 0.246 504 A C 0.759 178.561 177.584 0.364 0.000 1.078 504 A CA -0.292 51.967 52.037 0.370 0.000 0.770 504 A CB 0.363 19.623 19.000 0.433 0.000 1.011 504 A HN 0.439 nan 8.150 nan 0.000 0.494 505 R N 1.472 122.113 120.500 0.236 0.000 2.546 505 R HA 0.368 4.708 4.340 0.000 0.000 0.266 505 R C 1.019 177.269 176.300 -0.084 0.000 1.086 505 R CA -0.772 55.388 56.100 0.100 0.000 1.160 505 R CB 0.619 30.956 30.300 0.063 0.000 1.138 505 R HN 0.480 nan 8.270 nan 0.000 0.567 506 V N 0.588 120.293 119.914 -0.348 0.000 2.255 506 V HA -0.194 3.926 4.120 0.000 0.000 0.243 506 V C 0.983 176.955 176.094 -0.203 0.000 1.038 506 V CA 1.857 63.915 62.300 -0.404 0.000 1.008 506 V CB -0.252 31.224 31.823 -0.579 0.000 0.645 506 V HN 0.751 nan 8.190 nan 0.000 0.449 507 D N -1.495 118.822 120.400 -0.139 0.000 2.454 507 D HA 0.099 4.739 4.640 0.000 0.000 0.219 507 D C 0.884 177.168 176.300 -0.028 0.000 1.081 507 D CA 0.054 54.009 54.000 -0.075 0.000 0.867 507 D CB 0.805 41.567 40.800 -0.064 0.000 1.054 507 D HN 0.444 nan 8.370 nan 0.000 0.500 508 E N 2.029 122.216 120.200 -0.021 0.000 2.146 508 E HA 0.105 4.455 4.350 0.000 0.000 0.282 508 E C -0.893 175.709 176.600 0.004 0.000 0.989 508 E CA -0.576 55.821 56.400 -0.005 0.000 0.799 508 E CB 0.996 30.694 29.700 -0.004 0.000 1.088 508 E HN -0.162 nan 8.360 nan 0.000 0.397 509 D N 3.654 124.058 120.400 0.007 0.000 2.382 509 D HA 0.075 4.715 4.640 0.000 0.000 0.245 509 D C -0.534 175.666 176.300 -0.167 0.000 1.120 509 D CA 0.377 54.371 54.000 -0.009 0.000 0.890 509 D CB 0.995 41.851 40.800 0.093 0.000 1.201 509 D HN 0.391 nan 8.370 nan 0.000 0.433 510 Q N 2.069 121.663 119.800 -0.343 0.000 2.607 510 Q HA 0.248 4.588 4.340 0.000 0.000 0.247 510 Q C -2.172 173.222 176.000 -1.011 0.000 1.033 510 Q CA -1.547 53.858 55.803 -0.663 0.000 0.769 510 Q CB 2.157 30.511 28.738 -0.641 0.000 1.169 510 Q HN 0.180 nan 8.270 nan 0.000 0.508 511 P HA 0.015 nan 4.420 nan 0.000 0.220 511 P C -0.717 176.260 177.300 -0.538 0.000 1.806 511 P CA -0.150 62.515 63.100 -0.724 0.000 0.976 511 P CB -0.553 30.917 31.700 -0.383 0.000 1.952 512 F N 1.831 121.604 119.950 -0.295 0.000 2.602 512 F HA 0.121 4.648 4.527 -0.000 0.000 0.367 512 F C -1.205 174.485 175.800 -0.184 0.000 1.126 512 F CA -2.094 55.791 58.000 -0.192 0.000 1.321 512 F CB -0.766 38.141 39.000 -0.154 0.000 1.094 512 F HN 0.080 nan 8.300 nan 0.000 0.594 513 P HA 0.128 nan 4.420 nan 0.000 0.268 513 P C 0.293 177.605 177.300 0.019 0.000 1.204 513 P CA 1.104 64.216 63.100 0.020 0.000 0.768 513 P CB 1.113 32.825 31.700 0.021 0.000 0.842 514 A N 2.885 125.710 122.820 0.008 0.000 3.275 514 A HA -0.239 4.081 4.320 0.000 0.000 0.241 514 A C 0.740 178.332 177.584 0.013 0.000 0.607 514 A CA 1.937 53.985 52.037 0.018 0.000 1.181 514 A CB -2.639 16.374 19.000 0.021 0.000 1.304 514 A HN 0.693 nan 8.150 nan 0.000 0.682 515 V N -2.940 116.976 119.914 0.004 0.000 2.468 515 V HA 0.547 4.667 4.120 0.000 0.000 0.256 515 V C -2.369 173.717 176.094 -0.014 0.000 0.998 515 V CA -1.212 61.091 62.300 0.006 0.000 1.114 515 V CB 0.592 32.422 31.823 0.012 0.000 1.378 515 V HN 0.494 nan 8.190 nan 0.000 0.573 516 P HA 0.252 nan 4.420 nan 0.000 0.272 516 P C -0.613 176.299 177.300 -0.648 0.000 1.223 516 P CA 0.151 62.875 63.100 -0.626 0.000 0.784 516 P CB 1.014 31.859 31.700 -1.426 0.000 0.923 517 K N 2.605 122.719 120.400 -0.476 0.000 2.357 517 K HA 0.204 4.524 4.320 0.000 0.000 0.251 517 K C -0.360 176.004 176.600 -0.392 0.000 1.069 517 K CA -0.281 55.880 56.287 -0.209 0.000 0.994 517 K CB 0.335 32.964 32.500 0.216 0.000 1.411 517 K HN 0.463 nan 8.250 nan 0.000 0.450 518 W N 1.404 122.423 121.300 -0.468 0.000 2.126 518 W HA 0.026 4.686 4.660 -0.000 0.000 0.346 518 W C 1.319 177.856 176.519 0.031 0.000 1.279 518 W CA -0.426 56.728 57.345 -0.319 0.000 1.259 518 W CB 0.442 29.543 29.460 -0.599 0.000 1.133 518 W HN 0.386 nan 8.180 nan 0.000 0.592 519 S N 3.287 119.145 115.700 0.263 0.000 2.593 519 S HA -0.109 4.361 4.470 0.000 0.000 0.300 519 S C 1.193 175.939 174.600 0.243 0.000 1.267 519 S CA -0.030 58.271 58.200 0.169 0.000 1.065 519 S CB 0.077 63.321 63.200 0.072 0.000 0.807 519 S HN 0.499 nan 8.310 nan 0.000 0.499 520 I N 2.651 123.322 120.570 0.169 0.000 2.361 520 I HA -0.139 4.031 4.170 0.000 0.000 0.251 520 I C 2.051 178.183 176.117 0.024 0.000 1.133 520 I CA 1.241 62.636 61.300 0.159 0.000 1.413 520 I CB -0.396 37.642 38.000 0.063 0.000 1.073 520 I HN 0.583 nan 8.210 nan 0.000 0.424 521 K N 1.518 121.832 120.400 -0.145 0.000 2.097 521 K HA -0.152 4.168 4.320 0.000 0.000 0.205 521 K C 2.287 178.871 176.600 -0.027 0.000 1.050 521 K CA 1.612 57.723 56.287 -0.294 0.000 0.938 521 K CB -0.191 32.051 32.500 -0.429 0.000 0.718 521 K HN 0.372 nan 8.250 nan 0.000 0.442 522 K N 0.145 120.561 120.400 0.026 0.000 2.103 522 K HA -0.167 4.153 4.320 0.000 0.000 0.204 522 K C 1.893 178.518 176.600 0.041 0.000 1.052 522 K CA 0.886 57.180 56.287 0.012 0.000 0.945 522 K CB -0.064 32.419 32.500 -0.029 0.000 0.722 522 K HN 0.215 nan 8.250 nan 0.000 0.443 523 W N 2.127 123.409 121.300 -0.031 0.000 2.338 523 W HA -0.184 4.476 4.660 0.000 0.000 0.304 523 W C 1.622 178.120 176.519 -0.034 0.000 1.212 523 W CA 1.115 58.454 57.345 -0.009 0.000 1.264 523 W CB -0.628 28.901 29.460 0.116 0.000 1.142 523 W HN 0.093 nan 8.180 nan 0.000 0.512 524 L N 0.765 122.136 121.223 0.248 0.000 2.043 524 L HA -0.266 4.074 4.340 0.000 0.000 0.212 524 L C 2.230 179.162 176.870 0.105 0.000 1.075 524 L CA 2.142 57.064 54.840 0.136 0.000 0.752 524 L CB -1.108 41.020 42.059 0.115 0.000 0.891 524 L HN -0.003 nan 8.230 nan 0.000 0.432 525 S N -1.462 114.284 115.700 0.077 0.000 2.572 525 S HA 0.260 4.730 4.470 0.000 0.000 0.228 525 S C 0.539 175.124 174.600 -0.025 0.000 0.963 525 S CA -0.540 57.678 58.200 0.030 0.000 0.939 525 S CB -0.436 62.783 63.200 0.032 0.000 0.804 525 S HN 0.151 nan 8.310 nan 0.000 0.480 526 L N 2.095 123.291 121.223 -0.045 0.000 2.506 526 L HA 0.204 4.544 4.340 0.000 0.000 0.281 526 L C -2.186 174.646 176.870 -0.063 0.000 1.228 526 L CA -1.624 53.142 54.840 -0.123 0.000 0.850 526 L CB -0.325 41.628 42.059 -0.177 0.000 1.110 526 L HN 0.030 nan 8.230 nan 0.000 0.496 527 P HA -0.051 nan 4.420 nan 0.000 0.258 527 P C 0.746 178.035 177.300 -0.017 0.000 1.172 527 P CA 1.231 64.304 63.100 -0.045 0.000 0.762 527 P CB 0.437 32.104 31.700 -0.054 0.000 0.764 528 G N 2.024 110.822 108.800 -0.003 0.000 2.253 528 G HA2 -0.270 3.690 3.960 0.000 0.000 0.251 528 G HA3 -0.270 3.690 3.960 0.000 0.000 0.251 528 G C 0.312 175.226 174.900 0.024 0.000 0.998 528 G CA 0.034 45.140 45.100 0.011 0.000 0.621 528 G HN 0.602 nan 8.290 nan 0.000 0.524 529 E N 1.166 121.385 120.200 0.032 0.000 2.360 529 E HA 0.569 4.919 4.350 0.000 0.000 0.269 529 E C 1.424 178.048 176.600 0.039 0.000 1.022 529 E CA 0.835 57.266 56.400 0.053 0.000 0.887 529 E CB 0.820 30.577 29.700 0.094 0.000 0.990 529 E HN 0.588 nan 8.360 nan 0.000 0.426 530 T N 0.527 115.101 114.554 0.034 0.000 3.046 530 T HA 0.309 4.659 4.350 0.000 0.000 0.270 530 T C 0.573 175.283 174.700 0.016 0.000 0.920 530 T CA -0.437 61.678 62.100 0.025 0.000 0.874 530 T CB 0.101 68.982 68.868 0.023 0.000 1.214 530 T HN 0.252 nan 8.240 nan 0.000 0.536 531 R N 2.548 123.054 120.500 0.010 0.000 2.679 531 R HA 0.425 4.765 4.340 0.000 0.000 0.269 531 R C -2.448 173.833 176.300 -0.030 0.000 1.076 531 R CA -1.793 54.302 56.100 -0.008 0.000 1.160 531 R CB 0.055 30.344 30.300 -0.018 0.000 1.054 531 R HN 0.266 nan 8.270 nan 0.000 0.507 532 P HA 0.037 nan 4.420 nan 0.000 0.274 532 P C -1.003 176.227 177.300 -0.117 0.000 1.237 532 P CA -0.018 63.041 63.100 -0.068 0.000 0.793 532 P CB 0.707 32.368 31.700 -0.064 0.000 0.977 533 L N 2.894 124.027 121.223 -0.149 0.000 2.349 533 L HA 0.553 4.893 4.340 0.000 0.000 0.278 533 L C -0.852 175.873 176.870 -0.241 0.000 0.996 533 L CA -0.684 54.027 54.840 -0.215 0.000 0.825 533 L CB 0.557 42.478 42.059 -0.229 0.000 1.243 533 L HN 0.241 nan 8.230 nan 0.000 0.412 534 I N 5.804 126.238 120.570 -0.226 0.000 2.468 534 I HA 0.254 4.424 4.170 0.000 0.000 0.284 534 I C -0.712 175.313 176.117 -0.153 0.000 1.038 534 I CA -0.539 60.615 61.300 -0.242 0.000 1.083 534 I CB 1.911 39.822 38.000 -0.148 0.000 1.223 534 I HN 0.466 nan 8.210 nan 0.000 0.443 535 L N 5.653 126.757 121.223 -0.198 0.000 2.513 535 L HA 0.011 4.351 4.340 0.000 0.000 0.272 535 L C 1.550 178.493 176.870 0.122 0.000 1.187 535 L CA -0.167 54.624 54.840 -0.082 0.000 0.895 535 L CB 0.510 42.504 42.059 -0.109 0.000 1.147 535 L HN 0.868 nan 8.230 nan 0.000 0.483 536 C N 0.428 119.779 119.300 0.085 0.000 2.446 536 C HA 0.104 4.564 4.460 0.000 0.000 0.279 536 C C 0.686 175.798 174.990 0.203 0.000 1.366 536 C CA -0.122 58.984 59.018 0.146 0.000 1.763 536 C CB -1.001 26.736 27.740 -0.005 0.000 1.929 536 C HN 0.830 nan 8.230 nan 0.000 0.509 537 E N -0.828 119.415 120.200 0.071 0.000 2.304 537 E HA 0.622 4.972 4.350 0.000 0.000 0.277 537 E C -1.286 175.231 176.600 -0.139 0.000 0.898 537 E CA -0.390 56.014 56.400 0.006 0.000 0.764 537 E CB 1.985 31.499 29.700 -0.310 0.000 1.216 537 E HN 0.669 nan 8.360 nan 0.000 0.419 538 Y N -0.654 119.616 120.300 -0.051 0.000 2.689 538 Y HA 0.629 5.179 4.550 0.000 0.000 0.333 538 Y C -0.773 175.273 175.900 0.243 0.000 1.208 538 Y CA -0.861 57.238 58.100 -0.002 0.000 1.055 538 Y CB 0.876 39.208 38.460 -0.214 0.000 1.304 538 Y HN 0.648 nan 8.280 nan 0.000 0.455 539 A N 2.174 125.004 122.820 0.017 0.000 2.136 539 A HA -0.264 4.056 4.320 0.000 0.000 0.274 539 A C -0.347 177.331 177.584 0.157 0.000 1.388 539 A CA 1.084 53.138 52.037 0.027 0.000 0.741 539 A CB -2.442 16.490 19.000 -0.113 0.000 1.173 539 A HN 1.073 nan 8.150 nan 0.000 0.329 540 H N 0.757 119.943 119.070 0.194 0.000 3.184 540 H HA 0.236 4.792 4.556 0.000 0.000 0.274 540 H C 1.081 176.433 175.328 0.040 0.000 0.962 540 H CA 0.982 57.141 56.048 0.185 0.000 1.441 540 H CB 0.453 30.201 29.762 -0.024 0.000 1.518 540 H HN 0.818 nan 8.280 nan 0.000 0.539 541 A N 6.781 129.483 122.820 -0.196 0.000 3.105 541 A HA 0.092 4.412 4.320 0.000 0.000 0.272 541 A C 0.773 178.159 177.584 -0.331 0.000 1.466 541 A CA -0.440 51.446 52.037 -0.253 0.000 1.101 541 A CB -0.520 18.302 19.000 -0.298 0.000 1.065 541 A HN 0.781 nan 8.150 nan 0.000 0.643 542 M N 1.592 121.038 119.600 -0.256 0.000 2.108 542 M HA 0.446 4.926 4.480 0.000 0.000 0.347 542 M C 1.011 177.147 176.300 -0.274 0.000 1.326 542 M CA 1.199 56.354 55.300 -0.242 0.000 1.126 542 M CB -0.126 32.421 32.600 -0.088 0.000 1.606 542 M HN 0.837 nan 8.290 nan 0.000 0.462 543 G N 4.369 112.985 108.800 -0.307 0.000 2.550 543 G HA2 -0.340 3.620 3.960 0.000 0.000 0.277 543 G HA3 -0.340 3.620 3.960 0.000 0.000 0.277 543 G C -0.135 174.331 174.900 -0.723 0.000 1.190 543 G CA 0.043 44.854 45.100 -0.482 0.000 0.971 543 G HN 0.804 nan 8.290 nan 0.000 0.559 544 N N 1.484 119.582 118.700 -1.003 0.000 2.466 544 N HA 0.495 5.235 4.740 0.000 0.000 0.263 544 N C 0.021 175.299 175.510 -0.387 0.000 1.178 544 N CA 1.127 53.756 53.050 -0.703 0.000 0.983 544 N CB 0.456 38.551 38.487 -0.654 0.000 1.331 544 N HN 0.786 nan 8.380 nan 0.000 0.500 545 S N 1.908 117.457 115.700 -0.252 0.000 2.998 545 S HA 0.547 5.017 4.470 0.000 0.000 0.321 545 S C -0.130 174.401 174.600 -0.115 0.000 1.171 545 S CA -0.401 57.693 58.200 -0.176 0.000 0.882 545 S CB 0.072 63.177 63.200 -0.158 0.000 1.301 545 S HN 0.370 nan 8.310 nan 0.000 0.629 546 L N 0.323 121.506 121.223 -0.066 0.000 4.291 546 L HA -0.084 4.256 4.340 0.000 0.000 0.413 546 L C 0.518 177.426 176.870 0.062 0.000 1.162 546 L CA 0.905 55.739 54.840 -0.010 0.000 0.961 546 L CB -1.717 40.254 42.059 -0.148 0.000 2.095 546 L HN 0.711 nan 8.230 nan 0.000 0.838 547 G N -0.693 108.113 108.800 0.009 0.000 2.343 547 G HA2 0.467 4.427 3.960 0.000 0.000 0.254 547 G HA3 0.467 4.427 3.960 0.000 0.000 0.254 547 G C 1.212 176.156 174.900 0.074 0.000 1.277 547 G CA 0.144 45.232 45.100 -0.020 0.000 0.909 547 G HN 1.412 nan 8.290 nan 0.000 0.502 548 G N 1.748 110.588 108.800 0.068 0.000 2.143 548 G HA2 -0.318 3.642 3.960 0.000 0.000 0.249 548 G HA3 -0.318 3.642 3.960 0.000 0.000 0.249 548 G C 0.929 176.020 174.900 0.317 0.000 0.981 548 G CA 0.721 45.922 45.100 0.169 0.000 0.665 548 G HN 0.818 nan 8.290 nan 0.000 0.528 549 F N 1.585 121.657 119.950 0.203 0.000 2.171 549 F HA 0.165 4.692 4.527 0.000 0.000 0.300 549 F C 2.604 178.616 175.800 0.354 0.000 1.090 549 F CA 2.346 60.532 58.000 0.309 0.000 1.293 549 F CB -0.337 38.783 39.000 0.201 0.000 1.013 549 F HN 0.335 nan 8.300 nan 0.000 0.486 550 A N -0.197 122.791 122.820 0.281 0.000 1.972 550 A HA -0.238 4.082 4.320 0.000 0.000 0.219 550 A C 2.295 179.912 177.584 0.056 0.000 1.169 550 A CA 1.751 53.886 52.037 0.163 0.000 0.635 550 A CB -0.793 18.310 19.000 0.171 0.000 0.810 550 A HN 0.447 nan 8.150 nan 0.000 0.446 551 K N -1.606 118.816 120.400 0.035 0.000 2.097 551 K HA -0.179 4.141 4.320 0.000 0.000 0.206 551 K C 1.710 178.111 176.600 -0.332 0.000 1.049 551 K CA 1.627 57.852 56.287 -0.102 0.000 0.933 551 K CB -0.311 32.134 32.500 -0.091 0.000 0.717 551 K HN 0.577 nan 8.250 nan 0.000 0.442 552 Y N -0.920 119.119 120.300 -0.435 0.000 2.145 552 Y HA -0.236 4.314 4.550 -0.000 0.000 0.286 552 Y C 1.967 176.924 175.900 -1.572 0.000 1.145 552 Y CA 1.597 59.077 58.100 -1.033 0.000 1.148 552 Y CB -0.312 37.533 38.460 -1.026 0.000 0.981 552 Y HN 0.178 nan 8.280 nan 0.000 0.507 553 W N -0.142 120.723 121.300 -0.725 0.000 2.436 553 W HA -0.151 4.509 4.660 -0.000 0.000 0.284 553 W C 2.587 178.941 176.519 -0.275 0.000 1.225 553 W CA 1.198 58.255 57.345 -0.479 0.000 1.271 553 W CB -0.429 28.845 29.460 -0.310 0.000 1.114 553 W HN 0.032 nan 8.180 nan 0.000 0.559 554 Q N 0.799 120.549 119.800 -0.084 0.000 2.084 554 Q HA -0.185 4.155 4.340 0.000 0.000 0.202 554 Q C 2.180 178.136 176.000 -0.073 0.000 0.978 554 Q CA 2.062 57.838 55.803 -0.045 0.000 0.844 554 Q CB -0.487 28.232 28.738 -0.032 0.000 0.898 554 Q HN 0.286 nan 8.270 nan 0.000 0.426 555 A N 0.106 122.787 122.820 -0.231 0.000 1.897 555 A HA -0.122 4.198 4.320 0.000 0.000 0.215 555 A C 1.815 179.371 177.584 -0.047 0.000 1.181 555 A CA 1.100 53.020 52.037 -0.196 0.000 0.620 555 A CB -0.779 17.971 19.000 -0.416 0.000 0.821 555 A HN 0.358 nan 8.150 nan 0.000 0.443 556 F N 0.386 120.183 119.950 -0.255 0.000 2.126 556 F HA -0.153 4.374 4.527 0.000 0.000 0.299 556 F C 2.528 178.253 175.800 -0.125 0.000 1.096 556 F CA 1.343 59.161 58.000 -0.303 0.000 1.255 556 F CB -0.918 37.691 39.000 -0.652 0.000 0.997 556 F HN 0.186 nan 8.300 nan 0.000 0.479 557 R N -0.276 120.303 120.500 0.131 0.000 2.090 557 R HA -0.140 4.200 4.340 0.000 0.000 0.228 557 R C 2.164 178.509 176.300 0.073 0.000 1.110 557 R CA 1.136 57.290 56.100 0.091 0.000 0.973 557 R CB -0.532 29.815 30.300 0.078 0.000 0.869 557 R HN 0.382 nan 8.270 nan 0.000 0.440 558 Q N -0.122 119.745 119.800 0.112 0.000 2.123 558 Q HA -0.083 4.257 4.340 0.000 0.000 0.199 558 Q C -0.381 175.651 176.000 0.054 0.000 0.966 558 Q CA 1.068 56.926 55.803 0.092 0.000 0.845 558 Q CB 0.327 29.151 28.738 0.143 0.000 0.907 558 Q HN 0.205 nan 8.270 nan 0.000 0.439 559 Y N 0.159 120.447 120.300 -0.020 0.000 2.434 559 Y HA 0.243 4.793 4.550 -0.000 0.000 0.341 559 Y C -1.757 174.123 175.900 -0.033 0.000 0.965 559 Y CA -2.756 55.331 58.100 -0.022 0.000 1.205 559 Y CB 1.348 39.798 38.460 -0.016 0.000 1.121 559 Y HN 0.145 nan 8.280 nan 0.000 0.507 560 P HA -0.234 nan 4.420 nan 0.000 0.217 560 P C 1.187 178.493 177.300 0.010 0.000 1.158 560 P CA 2.008 65.113 63.100 0.009 0.000 0.887 560 P CB 0.305 31.996 31.700 -0.016 0.000 0.792 561 R N -1.340 119.184 120.500 0.041 0.000 2.276 561 R HA 0.102 4.442 4.340 0.000 0.000 0.203 561 R C 0.515 176.799 176.300 -0.028 0.000 1.017 561 R CA 0.067 56.172 56.100 0.007 0.000 1.010 561 R CB -0.426 29.889 30.300 0.025 0.000 0.900 561 R HN 0.241 nan 8.270 nan 0.000 0.469 562 L N 1.998 123.224 121.223 0.005 0.000 2.363 562 L HA 0.101 4.441 4.340 0.000 0.000 0.286 562 L C 0.620 177.352 176.870 -0.229 0.000 1.106 562 L CA 0.274 55.065 54.840 -0.080 0.000 0.859 562 L CB 0.947 43.026 42.059 0.033 0.000 1.223 562 L HN 0.094 nan 8.230 nan 0.000 0.446 563 Q N 2.790 122.372 119.800 -0.364 0.000 2.189 563 Q HA 0.301 4.641 4.340 0.000 0.000 0.221 563 Q C 0.812 176.393 176.000 -0.700 0.000 0.848 563 Q CA 0.109 55.665 55.803 -0.412 0.000 1.007 563 Q CB 1.089 29.676 28.738 -0.252 0.000 1.116 563 Q HN 0.969 nan 8.270 nan 0.000 0.481 564 G N -0.316 107.673 108.800 -1.351 0.000 2.418 564 G HA2 0.099 4.059 3.960 0.000 0.000 0.206 564 G HA3 0.099 4.059 3.960 0.000 0.000 0.206 564 G C -0.304 173.701 174.900 -1.490 0.000 1.202 564 G CA -0.730 43.165 45.100 -2.008 0.000 1.061 564 G HN 0.555 nan 8.290 nan 0.000 0.563 565 G N -2.167 106.058 108.800 -0.959 0.000 2.349 565 G HA2 0.639 4.599 3.960 0.000 0.000 0.294 565 G HA3 0.639 4.599 3.960 0.000 0.000 0.294 565 G C -1.800 173.013 174.900 -0.146 0.000 1.380 565 G CA -0.296 44.488 45.100 -0.526 0.000 0.811 565 G HN 1.129 nan 8.290 nan 0.000 0.519 566 F N 0.769 120.937 119.950 0.363 0.000 2.375 566 F HA 0.511 5.038 4.527 -0.000 0.000 0.361 566 F C 0.823 176.899 175.800 0.460 0.000 1.117 566 F CA -0.767 57.482 58.000 0.415 0.000 1.037 566 F CB 1.974 41.119 39.000 0.241 0.000 1.192 566 F HN 0.236 nan 8.300 nan 0.000 0.452 567 V N 3.391 123.598 119.914 0.488 0.000 2.788 567 V HA -0.163 3.957 4.120 0.000 0.000 0.307 567 V C -0.197 176.052 176.094 0.258 0.000 1.069 567 V CA -0.209 62.181 62.300 0.150 0.000 1.173 567 V CB 0.622 32.543 31.823 0.165 0.000 0.925 567 V HN 0.762 nan 8.190 nan 0.000 0.492 568 W N 6.527 127.874 121.300 0.077 0.000 2.278 568 W HA 0.447 5.107 4.660 -0.000 0.000 0.317 568 W C -0.805 175.673 176.519 -0.069 0.000 1.030 568 W CA -0.652 56.758 57.345 0.110 0.000 1.334 568 W CB 1.319 30.986 29.460 0.345 0.000 1.215 568 W HN 0.941 nan 8.180 nan 0.000 0.405 569 D N 2.498 122.621 120.400 -0.461 0.000 3.009 569 D HA 0.109 4.749 4.640 0.000 0.000 0.318 569 D C 0.760 176.867 176.300 -0.322 0.000 1.273 569 D CA -0.507 53.159 54.000 -0.556 0.000 1.001 569 D CB 0.157 40.160 40.800 -1.328 0.000 1.411 569 D HN 0.375 nan 8.370 nan 0.000 0.577 570 W N 0.322 121.346 121.300 -0.459 0.000 2.413 570 W HA 0.184 4.844 4.660 0.000 0.000 0.315 570 W C -0.141 176.192 176.519 -0.310 0.000 1.186 570 W CA 1.044 58.171 57.345 -0.363 0.000 1.326 570 W CB 0.354 29.623 29.460 -0.318 0.000 1.153 570 W HN 0.134 nan 8.180 nan 0.000 0.489 571 V N 2.772 122.474 119.914 -0.353 0.000 2.656 571 V HA 0.237 4.357 4.120 0.000 0.000 0.307 571 V C -0.883 175.034 176.094 -0.295 0.000 1.051 571 V CA -0.791 61.280 62.300 -0.382 0.000 0.893 571 V CB 1.514 33.238 31.823 -0.165 0.000 0.999 571 V HN -0.103 nan 8.190 nan 0.000 0.426 572 D N 4.290 124.528 120.400 -0.271 0.000 2.493 572 D HA 0.084 4.724 4.640 0.000 0.000 0.240 572 D C 0.295 176.475 176.300 -0.200 0.000 1.142 572 D CA 0.674 54.559 54.000 -0.190 0.000 0.872 572 D CB 0.894 41.662 40.800 -0.052 0.000 1.173 572 D HN 0.605 nan 8.370 nan 0.000 0.467 573 Q N 1.202 120.822 119.800 -0.301 0.000 3.122 573 Q HA 0.131 4.471 4.340 0.000 0.000 0.360 573 Q C -0.120 175.879 176.000 -0.002 0.000 1.300 573 Q CA -0.322 55.114 55.803 -0.612 0.000 0.982 573 Q CB 0.081 28.518 28.738 -0.502 0.000 1.534 573 Q HN 0.354 nan 8.270 nan 0.000 0.474 574 S N -0.132 115.655 115.700 0.144 0.000 2.617 574 S HA 0.672 5.142 4.470 0.000 0.000 0.283 574 S C -0.163 174.566 174.600 0.214 0.000 1.189 574 S CA -0.783 57.584 58.200 0.278 0.000 1.036 574 S CB 1.464 64.808 63.200 0.240 0.000 1.014 574 S HN 0.308 nan 8.310 nan 0.000 0.522 575 L N 1.554 122.805 121.223 0.047 0.000 2.333 575 L HA 0.566 4.906 4.340 0.000 0.000 0.269 575 L C -0.442 176.286 176.870 -0.237 0.000 1.010 575 L CA -1.041 53.711 54.840 -0.147 0.000 0.818 575 L CB 1.539 43.388 42.059 -0.350 0.000 1.306 575 L HN 0.636 nan 8.230 nan 0.000 0.430 576 I N 2.317 122.694 120.570 -0.322 0.000 2.416 576 I HA 0.175 4.345 4.170 0.000 0.000 0.288 576 I C 0.109 175.756 176.117 -0.783 0.000 1.051 576 I CA 0.163 61.133 61.300 -0.551 0.000 1.375 576 I CB 0.555 38.268 38.000 -0.478 0.000 1.407 576 I HN 0.512 nan 8.210 nan 0.000 0.516 577 K N 5.364 125.018 120.400 -1.243 0.000 2.295 577 K HA 0.589 4.909 4.320 0.000 0.000 0.239 577 K C -1.599 174.196 176.600 -1.341 0.000 0.991 577 K CA -0.830 54.671 56.287 -1.309 0.000 0.845 577 K CB 2.143 33.660 32.500 -1.637 0.000 1.197 577 K HN 0.281 nan 8.250 nan 0.000 0.441 578 Y N 0.865 120.953 120.300 -0.353 0.000 2.376 578 Y HA 0.119 4.669 4.550 -0.000 0.000 0.340 578 Y C 0.189 176.197 175.900 0.180 0.000 0.965 578 Y CA -1.113 56.960 58.100 -0.044 0.000 1.078 578 Y CB 1.261 39.687 38.460 -0.056 0.000 1.193 578 Y HN 0.692 nan 8.280 nan 0.000 0.452 579 D N 0.324 120.983 120.400 0.431 0.000 2.403 579 D HA -0.021 4.619 4.640 0.000 0.000 0.278 579 D C 1.080 177.474 176.300 0.157 0.000 1.230 579 D CA -0.182 53.983 54.000 0.275 0.000 1.062 579 D CB 0.261 41.149 40.800 0.146 0.000 1.119 579 D HN 0.706 nan 8.370 nan 0.000 0.557 580 E N -0.821 119.431 120.200 0.087 0.000 2.204 580 E HA -0.212 4.138 4.350 0.000 0.000 0.195 580 E C 0.821 177.450 176.600 0.048 0.000 0.990 580 E CA 0.831 57.262 56.400 0.052 0.000 0.821 580 E CB -0.451 29.264 29.700 0.024 0.000 0.750 580 E HN 0.301 nan 8.360 nan 0.000 0.477 581 N N 0.425 119.163 118.700 0.063 0.000 2.353 581 N HA 0.043 4.783 4.740 0.000 0.000 0.185 581 N C 0.898 176.447 175.510 0.066 0.000 1.098 581 N CA 0.900 53.982 53.050 0.053 0.000 0.872 581 N CB 1.218 39.734 38.487 0.050 0.000 0.970 581 N HN 0.440 nan 8.380 nan 0.000 0.467 582 G N 1.196 110.059 108.800 0.105 0.000 2.136 582 G HA2 -0.236 3.724 3.960 0.000 0.000 0.242 582 G HA3 -0.236 3.724 3.960 0.000 0.000 0.242 582 G C -0.300 174.736 174.900 0.227 0.000 0.989 582 G CA -0.366 44.801 45.100 0.111 0.000 0.682 582 G HN 0.234 nan 8.290 nan 0.000 0.522 583 N N 1.707 120.553 118.700 0.243 0.000 2.472 583 N HA 0.473 5.213 4.740 0.000 0.000 0.277 583 N C -2.251 173.418 175.510 0.264 0.000 1.081 583 N CA -1.497 51.695 53.050 0.237 0.000 0.973 583 N CB 1.583 40.166 38.487 0.160 0.000 1.105 583 N HN 0.183 nan 8.380 nan 0.000 0.470 584 P HA 0.170 nan 4.420 nan 0.000 0.276 584 P C -0.531 176.723 177.300 -0.077 0.000 1.230 584 P CA -0.226 62.761 63.100 -0.187 0.000 0.776 584 P CB 0.446 32.063 31.700 -0.137 0.000 0.888 585 W N 0.275 121.333 121.300 -0.403 0.000 3.127 585 W HA 0.406 5.066 4.660 0.000 0.000 0.330 585 W C -1.356 174.964 176.519 -0.331 0.000 1.187 585 W CA -1.126 55.979 57.345 -0.401 0.000 1.198 585 W CB 0.372 29.355 29.460 -0.795 0.000 1.408 585 W HN 0.118 nan 8.180 nan 0.000 0.529 586 S N 1.919 117.627 115.700 0.014 0.000 2.455 586 S HA 0.508 4.978 4.470 0.000 0.000 0.278 586 S C 0.190 174.862 174.600 0.121 0.000 1.216 586 S CA -0.127 58.082 58.200 0.015 0.000 1.055 586 S CB 0.586 63.882 63.200 0.160 0.000 0.939 586 S HN 0.592 nan 8.310 nan 0.000 0.494 587 A N 3.380 126.117 122.820 -0.138 0.000 2.337 587 A HA 0.800 5.120 4.320 0.000 0.000 0.329 587 A C -0.489 177.273 177.584 0.296 0.000 1.146 587 A CA -0.839 51.146 52.037 -0.087 0.000 0.800 587 A CB 0.576 19.173 19.000 -0.672 0.000 1.220 587 A HN 0.805 nan 8.150 nan 0.000 0.472 588 Y N 0.538 121.126 120.300 0.480 0.000 2.853 588 Y HA 0.790 5.340 4.550 0.000 0.000 0.332 588 Y C 0.827 177.058 175.900 0.552 0.000 1.229 588 Y CA -1.384 56.999 58.100 0.471 0.000 1.177 588 Y CB -0.222 38.366 38.460 0.213 0.000 1.435 588 Y HN 0.738 nan 8.280 nan 0.000 0.659 589 G N -0.617 108.466 108.800 0.472 0.000 2.340 589 G HA2 0.396 4.356 3.960 0.000 0.000 0.245 589 G HA3 0.396 4.356 3.960 0.000 0.000 0.245 589 G C 0.811 176.021 174.900 0.516 0.000 1.294 589 G CA 0.132 45.458 45.100 0.376 0.000 0.896 589 G HN 1.832 nan 8.290 nan 0.000 0.522 590 G N 2.283 111.359 108.800 0.461 0.000 2.213 590 G HA2 -0.245 3.715 3.960 0.000 0.000 0.226 590 G HA3 -0.245 3.715 3.960 0.000 0.000 0.226 590 G C 0.806 175.891 174.900 0.308 0.000 0.992 590 G CA 0.586 45.901 45.100 0.358 0.000 0.632 590 G HN 0.601 nan 8.290 nan 0.000 0.511 591 D N -0.177 120.414 120.400 0.318 0.000 2.323 591 D HA 0.191 4.831 4.640 0.000 0.000 0.209 591 D C 1.572 177.871 176.300 -0.002 0.000 0.973 591 D CA 0.334 54.417 54.000 0.138 0.000 0.874 591 D CB -0.161 40.667 40.800 0.047 0.000 0.930 591 D HN 0.439 nan 8.370 nan 0.000 0.521 592 F N -0.178 119.889 119.950 0.195 0.000 2.727 592 F HA 0.273 4.800 4.527 0.000 0.000 0.302 592 F C 1.875 177.762 175.800 0.146 0.000 1.097 592 F CA 0.174 58.260 58.000 0.144 0.000 1.330 592 F CB 0.621 39.722 39.000 0.168 0.000 1.084 592 F HN 0.017 nan 8.300 nan 0.000 0.578 593 G N 0.585 109.554 108.800 0.283 0.000 2.175 593 G HA2 -0.293 3.667 3.960 0.000 0.000 0.244 593 G HA3 -0.293 3.667 3.960 0.000 0.000 0.244 593 G C -0.309 174.724 174.900 0.221 0.000 0.982 593 G CA 0.012 45.239 45.100 0.211 0.000 0.641 593 G HN 0.480 nan 8.290 nan 0.000 0.527 594 D N 0.158 120.725 120.400 0.280 0.000 2.351 594 D HA 0.544 5.184 4.640 0.000 0.000 0.251 594 D C 0.115 176.530 176.300 0.193 0.000 1.137 594 D CA 0.374 54.520 54.000 0.244 0.000 0.879 594 D CB 1.607 42.580 40.800 0.287 0.000 1.181 594 D HN 0.229 nan 8.370 nan 0.000 0.448 595 T N 1.292 115.934 114.554 0.145 0.000 3.041 595 T HA 0.429 4.779 4.350 0.000 0.000 0.321 595 T C -2.691 172.052 174.700 0.073 0.000 1.184 595 T CA -1.383 60.780 62.100 0.105 0.000 1.050 595 T CB 0.947 69.876 68.868 0.102 0.000 1.159 595 T HN 0.454 nan 8.240 nan 0.000 0.469 596 P HA 0.395 nan 4.420 nan 0.000 0.271 596 P C -0.938 176.369 177.300 0.013 0.000 1.216 596 P CA -0.349 62.763 63.100 0.021 0.000 0.776 596 P CB 0.553 32.243 31.700 -0.017 0.000 0.881 597 N N -0.645 118.075 118.700 0.032 0.000 2.577 597 N HA 0.349 5.089 4.740 0.000 0.000 0.285 597 N C -0.785 174.730 175.510 0.009 0.000 1.309 597 N CA -0.858 52.215 53.050 0.040 0.000 0.798 597 N CB 1.145 39.739 38.487 0.178 0.000 1.463 597 N HN 0.182 nan 8.380 nan 0.000 0.518 598 D N -0.322 120.095 120.400 0.027 0.000 2.891 598 D HA 0.130 4.770 4.640 0.000 0.000 0.332 598 D C 0.238 176.728 176.300 0.318 0.000 1.369 598 D CA -0.171 53.869 54.000 0.066 0.000 0.827 598 D CB 0.435 41.130 40.800 -0.175 0.000 1.141 598 D HN 0.710 nan 8.370 nan 0.000 0.464 599 R N 0.810 121.490 120.500 0.301 0.000 3.559 599 R HA -0.307 4.033 4.340 0.000 0.000 0.569 599 R C 0.976 177.265 176.300 -0.019 0.000 0.241 599 R CA 1.337 57.582 56.100 0.240 0.000 1.762 599 R CB -1.501 28.845 30.300 0.076 0.000 0.881 599 R HN 0.174 nan 8.270 nan 0.000 0.615 600 Q N 1.555 121.008 119.800 -0.578 0.000 2.373 600 Q HA 0.039 4.379 4.340 0.000 0.000 0.206 600 Q C 1.257 177.010 176.000 -0.411 0.000 0.942 600 Q CA 0.968 56.254 55.803 -0.862 0.000 0.953 600 Q CB 0.038 28.034 28.738 -1.236 0.000 1.022 600 Q HN 0.604 nan 8.270 nan 0.000 0.502 601 F N 1.131 120.991 119.950 -0.149 0.000 2.771 601 F HA -0.056 4.471 4.527 0.000 0.000 0.299 601 F C 1.969 177.809 175.800 0.068 0.000 1.177 601 F CA 0.599 58.610 58.000 0.019 0.000 1.450 601 F CB 0.144 39.193 39.000 0.080 0.000 1.114 601 F HN 0.432 nan 8.300 nan 0.000 0.587 602 C N -1.587 117.687 119.300 -0.043 0.000 2.673 602 C HA 0.275 4.735 4.460 0.000 0.000 0.264 602 C C 1.041 175.939 174.990 -0.154 0.000 1.304 602 C CA -0.472 58.402 59.018 -0.241 0.000 1.727 602 C CB -1.363 25.822 27.740 -0.925 0.000 1.932 602 C HN 0.174 nan 8.230 nan 0.000 0.563 603 M N 2.953 122.471 119.600 -0.136 0.000 2.385 603 M HA 0.276 4.756 4.480 0.000 0.000 0.346 603 M C -0.609 175.573 176.300 -0.198 0.000 1.180 603 M CA 0.324 55.536 55.300 -0.148 0.000 1.154 603 M CB -0.258 32.293 32.600 -0.082 0.000 1.251 603 M HN 0.380 nan 8.290 nan 0.000 0.430 604 N N 0.687 119.246 118.700 -0.235 0.000 2.377 604 N HA 0.238 4.978 4.740 0.000 0.000 0.259 604 N C 0.204 175.447 175.510 -0.446 0.000 1.332 604 N CA -0.493 52.359 53.050 -0.330 0.000 0.877 604 N CB 1.189 39.511 38.487 -0.274 0.000 1.299 604 N HN 0.594 nan 8.380 nan 0.000 0.501 605 G N -0.189 108.301 108.800 -0.516 0.000 2.451 605 G HA2 0.380 4.340 3.960 0.000 0.000 0.303 605 G HA3 0.380 4.340 3.960 0.000 0.000 0.303 605 G C 0.653 175.069 174.900 -0.807 0.000 1.166 605 G CA -0.591 44.146 45.100 -0.605 0.000 0.884 605 G HN 0.160 nan 8.290 nan 0.000 0.514 606 L N 0.254 121.065 121.223 -0.686 0.000 2.313 606 L HA 0.107 4.447 4.340 0.000 0.000 0.214 606 L C 0.942 177.417 176.870 -0.658 0.000 1.119 606 L CA 0.394 54.858 54.840 -0.626 0.000 0.809 606 L CB -0.287 41.526 42.059 -0.408 0.000 0.933 606 L HN 0.408 nan 8.230 nan 0.000 0.449 607 V N -4.921 114.522 119.914 -0.785 0.000 2.864 607 V HA 0.464 4.584 4.120 0.000 0.000 0.314 607 V C -0.157 175.771 176.094 -0.276 0.000 1.073 607 V CA -1.289 60.728 62.300 -0.471 0.000 0.956 607 V CB 1.521 32.934 31.823 -0.683 0.000 1.023 607 V HN -0.144 nan 8.190 nan 0.000 0.435 608 F N 1.612 121.584 119.950 0.037 0.000 2.485 608 F HA 0.508 5.035 4.527 0.000 0.000 0.327 608 F C 1.982 177.743 175.800 -0.064 0.000 1.203 608 F CA 0.695 58.713 58.000 0.030 0.000 1.295 608 F CB 0.802 39.769 39.000 -0.055 0.000 1.191 608 F HN 0.787 nan 8.300 nan 0.000 0.588 609 A N 0.847 123.781 122.820 0.191 0.000 1.986 609 A HA -0.251 4.069 4.320 0.000 0.000 0.220 609 A C 1.655 179.231 177.584 -0.013 0.000 1.171 609 A CA 2.025 54.112 52.037 0.083 0.000 0.640 609 A CB -0.977 18.087 19.000 0.108 0.000 0.811 609 A HN 0.807 nan 8.150 nan 0.000 0.451 610 D N -3.080 117.325 120.400 0.008 0.000 2.328 610 D HA 0.129 4.769 4.640 0.000 0.000 0.226 610 D C 0.672 176.971 176.300 -0.001 0.000 1.066 610 D CA 0.046 54.020 54.000 -0.043 0.000 0.861 610 D CB -0.129 40.638 40.800 -0.055 0.000 0.912 610 D HN 0.212 nan 8.370 nan 0.000 0.521 611 R N -1.677 118.836 120.500 0.021 0.000 3.919 611 R HA -0.120 4.220 4.340 0.000 0.000 0.412 611 R C -0.454 175.870 176.300 0.039 0.000 1.102 611 R CA 1.021 57.130 56.100 0.014 0.000 1.082 611 R CB -3.219 27.123 30.300 0.069 0.000 1.671 611 R HN 0.238 nan 8.270 nan 0.000 0.540 612 T N 2.437 117.044 114.554 0.089 0.000 2.870 612 T HA 0.318 4.668 4.350 0.000 0.000 0.300 612 T C -2.295 172.513 174.700 0.180 0.000 0.989 612 T CA -0.775 61.394 62.100 0.115 0.000 1.139 612 T CB 0.968 69.871 68.868 0.059 0.000 0.920 612 T HN -0.075 nan 8.240 nan 0.000 0.537 613 P HA 0.123 nan 4.420 nan 0.000 0.271 613 P C 0.066 177.387 177.300 0.036 0.000 1.216 613 P CA -0.232 62.886 63.100 0.030 0.000 0.776 613 P CB 0.396 32.113 31.700 0.028 0.000 0.881 614 H N 3.220 122.154 119.070 -0.227 0.000 2.547 614 H HA 0.075 4.631 4.556 0.000 0.000 0.362 614 H C -1.312 173.939 175.328 -0.128 0.000 1.181 614 H CA -1.494 54.408 56.048 -0.243 0.000 1.376 614 H CB 0.259 29.821 29.762 -0.334 0.000 1.488 614 H HN 0.327 nan 8.280 nan 0.000 0.583 615 P HA -0.185 nan 4.420 nan 0.000 0.216 615 P C 1.248 178.556 177.300 0.012 0.000 1.150 615 P CA 1.699 64.796 63.100 -0.005 0.000 0.843 615 P CB 0.032 31.735 31.700 0.004 0.000 0.787 616 A N -0.750 122.079 122.820 0.015 0.000 1.978 616 A HA -0.205 4.115 4.320 0.000 0.000 0.220 616 A C 2.102 179.636 177.584 -0.084 0.000 1.170 616 A CA 1.389 53.391 52.037 -0.059 0.000 0.636 616 A CB -1.624 17.304 19.000 -0.119 0.000 0.810 616 A HN 0.160 nan 8.150 nan 0.000 0.448 617 L N -0.602 120.599 121.223 -0.037 0.000 2.042 617 L HA -0.146 4.194 4.340 0.000 0.000 0.210 617 L C 2.596 179.513 176.870 0.079 0.000 1.076 617 L CA 2.695 57.552 54.840 0.028 0.000 0.749 617 L CB -0.910 41.176 42.059 0.045 0.000 0.893 617 L HN 0.402 nan 8.230 nan 0.000 0.432 618 T N -1.799 112.806 114.554 0.085 0.000 2.867 618 T HA -0.188 4.162 4.350 0.000 0.000 0.268 618 T C 1.799 176.608 174.700 0.181 0.000 1.057 618 T CA 1.380 63.583 62.100 0.172 0.000 1.136 618 T CB -0.085 68.864 68.868 0.135 0.000 0.874 618 T HN 0.453 nan 8.240 nan 0.000 0.466 619 E N 0.826 121.070 120.200 0.073 0.000 2.072 619 E HA 0.050 4.400 4.350 0.000 0.000 0.191 619 E C 2.202 178.793 176.600 -0.015 0.000 0.985 619 E CA 1.371 57.809 56.400 0.064 0.000 0.801 619 E CB -0.612 29.096 29.700 0.014 0.000 0.750 619 E HN 0.519 nan 8.360 nan 0.000 0.452 620 A N 1.065 123.755 122.820 -0.217 0.000 1.883 620 A HA -0.254 4.066 4.320 0.000 0.000 0.217 620 A C 2.181 179.638 177.584 -0.212 0.000 1.186 620 A CA 2.012 53.856 52.037 -0.323 0.000 0.624 620 A CB -0.661 18.165 19.000 -0.290 0.000 0.822 620 A HN 0.271 nan 8.150 nan 0.000 0.444 621 K N -1.333 119.022 120.400 -0.074 0.000 2.032 621 K HA -0.277 4.043 4.320 0.000 0.000 0.209 621 K C 2.073 178.561 176.600 -0.186 0.000 1.048 621 K CA 1.949 58.207 56.287 -0.049 0.000 0.927 621 K CB -0.346 32.281 32.500 0.212 0.000 0.712 621 K HN 0.643 nan 8.250 nan 0.000 0.441 622 H N 0.418 119.299 119.070 -0.314 0.000 2.353 622 H HA -0.033 4.523 4.556 0.000 0.000 0.300 622 H C 1.938 176.985 175.328 -0.467 0.000 1.090 622 H CA 1.813 57.480 56.048 -0.634 0.000 1.327 622 H CB 0.129 29.583 29.762 -0.514 0.000 1.383 622 H HN 0.237 nan 8.280 nan 0.000 0.508 623 Q N 0.129 119.674 119.800 -0.425 0.000 2.230 623 Q HA -0.059 4.281 4.340 0.000 0.000 0.202 623 Q C 1.536 176.972 176.000 -0.941 0.000 0.963 623 Q CA 1.051 56.522 55.803 -0.553 0.000 0.866 623 Q CB 0.127 28.716 28.738 -0.247 0.000 0.931 623 Q HN 0.700 nan 8.270 nan 0.000 0.452 624 Q N 0.211 119.431 119.800 -0.966 0.000 2.280 624 Q HA 0.079 4.419 4.340 0.000 0.000 0.202 624 Q C -0.125 175.299 176.000 -0.959 0.000 0.903 624 Q CA -0.209 54.872 55.803 -1.204 0.000 0.948 624 Q CB 0.348 28.446 28.738 -1.067 0.000 1.058 624 Q HN 0.360 nan 8.270 nan 0.000 0.493 625 Q N -0.456 118.929 119.800 -0.692 0.000 2.369 625 Q HA -0.060 4.280 4.340 0.000 0.000 0.295 625 Q C -0.130 175.506 176.000 -0.608 0.000 1.075 625 Q CA 0.493 56.018 55.803 -0.463 0.000 0.941 625 Q CB 0.440 28.990 28.738 -0.313 0.000 1.260 625 Q HN 0.317 nan 8.270 nan 0.000 0.417 626 F N 0.308 120.027 119.950 -0.384 0.000 2.695 626 F HA 0.225 4.752 4.527 0.000 0.000 0.303 626 F C -0.165 175.082 175.800 -0.923 0.000 1.091 626 F CA -0.050 57.491 58.000 -0.766 0.000 1.300 626 F CB 0.614 38.876 39.000 -1.230 0.000 1.071 626 F HN 0.321 nan 8.300 nan 0.000 0.578 627 F N 0.389 120.246 119.950 -0.155 0.000 2.507 627 F HA 0.473 5.000 4.527 0.000 0.000 0.325 627 F C -0.040 175.410 175.800 -0.584 0.000 1.116 627 F CA -1.102 56.704 58.000 -0.324 0.000 0.930 627 F CB 1.233 40.064 39.000 -0.283 0.000 1.146 627 F HN -0.327 nan 8.300 nan 0.000 0.447 628 Q N 2.862 122.420 119.800 -0.403 0.000 2.257 628 Q HA 0.562 4.902 4.340 0.000 0.000 0.262 628 Q C -1.311 174.400 176.000 -0.481 0.000 0.997 628 Q CA -0.622 54.961 55.803 -0.367 0.000 0.873 628 Q CB 2.688 31.341 28.738 -0.142 0.000 1.312 628 Q HN 0.548 nan 8.270 nan 0.000 0.450 629 F N 0.353 120.424 119.950 0.201 0.000 2.551 629 F HA 0.584 5.111 4.527 0.000 0.000 0.316 629 F C 0.426 176.459 175.800 0.388 0.000 1.089 629 F CA -0.828 57.371 58.000 0.333 0.000 0.915 629 F CB 2.000 41.311 39.000 0.517 0.000 1.186 629 F HN 0.098 nan 8.300 nan 0.000 0.456 630 R N 1.902 122.698 120.500 0.493 0.000 2.725 630 R HA 0.669 5.009 4.340 0.000 0.000 0.277 630 R C -1.990 174.340 176.300 0.050 0.000 0.987 630 R CA -1.258 55.045 56.100 0.339 0.000 0.901 630 R CB 3.079 33.485 30.300 0.175 0.000 1.207 630 R HN 0.578 nan 8.270 nan 0.000 0.463 631 L N 0.794 121.914 121.223 -0.171 0.000 2.333 631 L HA 0.490 4.830 4.340 0.000 0.000 0.280 631 L C -0.913 175.804 176.870 -0.255 0.000 1.004 631 L CA 0.059 54.590 54.840 -0.515 0.000 0.820 631 L CB 2.034 43.333 42.059 -1.266 0.000 1.247 631 L HN 0.548 nan 8.230 nan 0.000 0.416 632 S N 3.910 119.485 115.700 -0.208 0.000 2.789 632 S HA 0.690 5.160 4.470 0.000 0.000 0.286 632 S C 0.363 174.877 174.600 -0.143 0.000 1.153 632 S CA 0.243 58.363 58.200 -0.134 0.000 1.084 632 S CB 0.251 63.404 63.200 -0.080 0.000 1.036 632 S HN 1.485 nan 8.310 nan 0.000 0.484 633 G N 4.647 113.362 108.800 -0.141 0.000 2.601 633 G HA2 -0.285 3.675 3.960 0.000 0.000 0.306 633 G HA3 -0.285 3.675 3.960 0.000 0.000 0.306 633 G C 0.481 175.278 174.900 -0.172 0.000 1.172 633 G CA 0.610 45.631 45.100 -0.132 0.000 0.966 633 G HN 0.635 nan 8.290 nan 0.000 0.542 634 Q N 1.104 120.805 119.800 -0.164 0.000 2.282 634 Q HA 0.184 4.524 4.340 0.000 0.000 0.206 634 Q C 0.496 176.362 176.000 -0.225 0.000 0.878 634 Q CA 0.861 56.544 55.803 -0.200 0.000 0.944 634 Q CB 0.782 29.420 28.738 -0.167 0.000 1.100 634 Q HN 0.565 nan 8.270 nan 0.000 0.509 635 T N 1.678 116.116 114.554 -0.194 0.000 2.767 635 T HA 0.479 4.829 4.350 0.000 0.000 0.288 635 T C 0.317 174.898 174.700 -0.199 0.000 0.963 635 T CA -0.251 61.748 62.100 -0.168 0.000 1.019 635 T CB 1.042 69.844 68.868 -0.110 0.000 0.923 635 T HN 0.005 nan 8.240 nan 0.000 0.468 636 I N 2.832 123.296 120.570 -0.176 0.000 2.331 636 I HA 0.263 4.433 4.170 0.000 0.000 0.292 636 I C 0.666 176.782 176.117 -0.002 0.000 0.998 636 I CA -0.493 60.728 61.300 -0.131 0.000 1.267 636 I CB 1.102 39.045 38.000 -0.096 0.000 1.386 636 I HN 0.581 nan 8.210 nan 0.000 0.476 637 E N 6.542 126.772 120.200 0.050 0.000 2.109 637 E HA 0.389 4.739 4.350 0.000 0.000 0.278 637 E C -1.420 175.271 176.600 0.152 0.000 0.954 637 E CA -0.588 55.861 56.400 0.081 0.000 0.779 637 E CB 1.371 31.105 29.700 0.056 0.000 1.093 637 E HN 0.355 nan 8.360 nan 0.000 0.401 638 V N 4.443 124.430 119.914 0.121 0.000 2.370 638 V HA 0.279 4.399 4.120 0.000 0.000 0.283 638 V C -0.044 176.075 176.094 0.042 0.000 1.023 638 V CA -0.593 61.749 62.300 0.071 0.000 0.857 638 V CB 1.559 33.446 31.823 0.106 0.000 0.985 638 V HN 0.676 nan 8.190 nan 0.000 0.443 639 T N 3.359 117.907 114.554 -0.010 0.000 2.779 639 T HA 0.315 4.665 4.350 0.000 0.000 0.280 639 T C 0.108 174.832 174.700 0.040 0.000 0.987 639 T CA -0.247 61.861 62.100 0.014 0.000 0.966 639 T CB 1.490 70.345 68.868 -0.021 0.000 0.933 639 T HN 0.672 nan 8.240 nan 0.000 0.442 640 S N 1.969 117.712 115.700 0.072 0.000 2.523 640 S HA 0.167 4.637 4.470 0.000 0.000 0.275 640 S C 0.861 175.362 174.600 -0.164 0.000 1.281 640 S CA -0.497 57.681 58.200 -0.036 0.000 1.050 640 S CB 0.505 63.762 63.200 0.095 0.000 0.937 640 S HN 0.722 nan 8.310 nan 0.000 0.492 641 E N 2.996 122.991 120.200 -0.343 0.000 2.481 641 E HA 0.084 4.434 4.350 0.000 0.000 0.198 641 E C -0.675 175.769 176.600 -0.260 0.000 1.027 641 E CA -0.110 56.123 56.400 -0.278 0.000 0.900 641 E CB 0.269 29.782 29.700 -0.312 0.000 0.993 641 E HN 0.718 nan 8.360 nan 0.000 0.482 642 Y N 0.463 120.655 120.300 -0.181 0.000 2.480 642 Y HA -0.039 4.511 4.550 0.000 0.000 0.338 642 Y C 1.468 177.217 175.900 -0.252 0.000 1.220 642 Y CA 0.071 58.056 58.100 -0.192 0.000 1.430 642 Y CB 0.694 39.023 38.460 -0.218 0.000 1.311 642 Y HN -0.034 nan 8.280 nan 0.000 0.575 643 L N 1.167 122.239 121.223 -0.253 0.000 2.408 643 L HA 0.066 4.406 4.340 0.000 0.000 0.215 643 L C 0.689 177.128 176.870 -0.720 0.000 1.081 643 L CA 0.581 55.020 54.840 -0.669 0.000 0.840 643 L CB 0.019 41.342 42.059 -1.228 0.000 1.002 643 L HN 0.642 nan 8.230 nan 0.000 0.468 644 F N -0.478 119.492 119.950 0.033 0.000 2.581 644 F HA 0.206 4.733 4.527 0.000 0.000 0.278 644 F C 1.219 177.010 175.800 -0.016 0.000 1.000 644 F CA -0.819 57.175 58.000 -0.012 0.000 1.230 644 F CB 0.246 39.217 39.000 -0.048 0.000 1.008 644 F HN -0.173 nan 8.300 nan 0.000 0.695 645 R N 0.777 121.332 120.500 0.090 0.000 2.404 645 R HA 0.356 4.696 4.340 0.000 0.000 0.291 645 R C -0.853 175.449 176.300 0.003 0.000 1.025 645 R CA -0.561 55.529 56.100 -0.017 0.000 0.991 645 R CB 0.726 30.901 30.300 -0.208 0.000 1.053 645 R HN 0.114 nan 8.270 nan 0.000 0.479 646 H N 1.193 120.253 119.070 -0.017 0.000 2.607 646 H HA 0.057 4.613 4.556 0.000 0.000 0.367 646 H C 0.016 175.361 175.328 0.029 0.000 1.181 646 H CA 0.532 56.598 56.048 0.031 0.000 1.402 646 H CB 1.068 30.852 29.762 0.037 0.000 1.474 646 H HN 0.785 nan 8.280 nan 0.000 0.596 647 S N 2.062 117.712 115.700 -0.084 0.000 4.139 647 S HA -0.013 4.457 4.470 0.000 0.000 0.215 647 S C 0.057 174.763 174.600 0.176 0.000 1.390 647 S CA -0.282 57.989 58.200 0.118 0.000 0.885 647 S CB -0.559 62.746 63.200 0.175 0.000 1.560 647 S HN 0.718 nan 8.310 nan 0.000 0.449 648 D N 0.861 121.365 120.400 0.173 0.000 2.325 648 D HA 0.056 4.696 4.640 0.000 0.000 0.225 648 D C 0.332 176.691 176.300 0.099 0.000 1.096 648 D CA -0.211 53.881 54.000 0.153 0.000 0.844 648 D CB -0.302 40.569 40.800 0.117 0.000 0.925 648 D HN 0.503 nan 8.370 nan 0.000 0.513 649 N N 0.082 118.845 118.700 0.105 0.000 2.604 649 N HA 0.127 4.867 4.740 0.000 0.000 0.284 649 N C -1.563 174.021 175.510 0.123 0.000 1.716 649 N CA -0.164 52.942 53.050 0.094 0.000 0.859 649 N CB 0.359 38.892 38.487 0.077 0.000 1.403 649 N HN -0.076 nan 8.380 nan 0.000 0.501 650 E N 0.084 120.349 120.200 0.108 0.000 2.278 650 E HA 0.467 4.817 4.350 0.000 0.000 0.272 650 E C -1.752 174.883 176.600 0.057 0.000 0.890 650 E CA -0.618 55.836 56.400 0.090 0.000 0.770 650 E CB 2.333 32.057 29.700 0.040 0.000 1.212 650 E HN 0.188 nan 8.360 nan 0.000 0.415 651 L N 3.532 124.804 121.223 0.081 0.000 2.385 651 L HA 0.572 4.912 4.340 0.000 0.000 0.273 651 L C -1.857 175.074 176.870 0.100 0.000 0.990 651 L CA -0.886 53.993 54.840 0.066 0.000 0.821 651 L CB 1.512 43.617 42.059 0.076 0.000 1.279 651 L HN 0.583 nan 8.230 nan 0.000 0.412 652 L N 5.400 126.659 121.223 0.060 0.000 2.260 652 L HA 0.432 4.772 4.340 0.000 0.000 0.289 652 L C -0.588 176.329 176.870 0.078 0.000 1.057 652 L CA 0.206 55.123 54.840 0.129 0.000 0.811 652 L CB 0.172 42.326 42.059 0.160 0.000 1.184 652 L HN 0.554 nan 8.230 nan 0.000 0.429 653 H N 5.858 124.996 119.070 0.114 0.000 2.489 653 H HA 0.292 4.848 4.556 0.000 0.000 0.322 653 H C -1.054 174.359 175.328 0.142 0.000 1.091 653 H CA -0.308 55.771 56.048 0.052 0.000 1.291 653 H CB 0.860 30.619 29.762 -0.006 0.000 1.436 653 H HN 0.696 nan 8.280 nan 0.000 0.480 654 W N 3.620 124.993 121.300 0.123 0.000 2.761 654 W HA 0.551 5.211 4.660 -0.000 0.000 0.340 654 W C -1.601 174.977 176.519 0.098 0.000 1.072 654 W CA -1.248 56.161 57.345 0.105 0.000 1.215 654 W CB 1.458 30.960 29.460 0.071 0.000 1.420 654 W HN 0.398 nan 8.180 nan 0.000 0.519 655 M N 3.585 123.384 119.600 0.332 0.000 2.324 655 M HA 0.514 4.994 4.480 0.000 0.000 0.288 655 M C -2.338 174.160 176.300 0.331 0.000 1.097 655 M CA -0.497 54.905 55.300 0.169 0.000 0.928 655 M CB 2.022 34.643 32.600 0.036 0.000 1.648 655 M HN 0.216 nan 8.290 nan 0.000 0.460 656 V N 4.181 124.293 119.914 0.330 0.000 2.417 656 V HA 0.987 5.107 4.120 0.000 0.000 0.291 656 V C -0.300 175.906 176.094 0.186 0.000 1.024 656 V CA -0.376 62.097 62.300 0.290 0.000 0.861 656 V CB 1.072 33.080 31.823 0.308 0.000 0.985 656 V HN 1.004 nan 8.190 nan 0.000 0.436 657 A N 4.657 127.593 122.820 0.193 0.000 2.414 657 A HA 0.852 5.172 4.320 0.000 0.000 0.306 657 A C -1.301 176.398 177.584 0.191 0.000 1.054 657 A CA -0.622 51.498 52.037 0.138 0.000 0.724 657 A CB 1.616 20.656 19.000 0.067 0.000 1.267 657 A HN 0.825 nan 8.150 nan 0.000 0.418 658 L N 1.785 123.090 121.223 0.136 0.000 2.255 658 L HA 0.504 4.844 4.340 0.000 0.000 0.289 658 L C -0.494 176.466 176.870 0.150 0.000 1.046 658 L CA 0.374 55.307 54.840 0.154 0.000 0.816 658 L CB 0.146 42.265 42.059 0.100 0.000 1.197 658 L HN 0.784 nan 8.230 nan 0.000 0.427 659 D N 4.759 125.310 120.400 0.251 0.000 2.692 659 D HA -0.200 4.440 4.640 0.000 0.000 0.233 659 D C 1.174 177.497 176.300 0.038 0.000 1.172 659 D CA 1.613 55.752 54.000 0.231 0.000 0.636 659 D CB -1.090 39.816 40.800 0.175 0.000 1.028 659 D HN 1.152 nan 8.370 nan 0.000 0.419 660 G N -0.895 107.887 108.800 -0.030 0.000 2.199 660 G HA2 -0.373 3.587 3.960 0.000 0.000 0.254 660 G HA3 -0.373 3.587 3.960 0.000 0.000 0.254 660 G C 0.252 175.059 174.900 -0.155 0.000 0.982 660 G CA 0.397 45.369 45.100 -0.214 0.000 0.632 660 G HN 0.486 nan 8.290 nan 0.000 0.529 661 K N 2.261 122.625 120.400 -0.061 0.000 2.264 661 K HA 0.435 4.755 4.320 0.000 0.000 0.277 661 K C -2.450 174.137 176.600 -0.021 0.000 1.067 661 K CA -1.804 54.455 56.287 -0.047 0.000 0.900 661 K CB 1.784 34.274 32.500 -0.017 0.000 1.124 661 K HN 0.115 nan 8.250 nan 0.000 0.469 662 P HA -0.015 nan 4.420 nan 0.000 0.267 662 P C -0.137 177.164 177.300 0.001 0.000 1.209 662 P CA 0.198 63.284 63.100 -0.024 0.000 0.763 662 P CB 0.835 32.499 31.700 -0.059 0.000 0.816 663 L N 1.709 122.952 121.223 0.034 0.000 2.547 663 L HA 0.421 4.761 4.340 0.000 0.000 0.218 663 L C 1.003 177.907 176.870 0.056 0.000 1.048 663 L CA 0.359 55.227 54.840 0.047 0.000 0.859 663 L CB 0.171 42.272 42.059 0.070 0.000 1.128 663 L HN 0.377 nan 8.230 nan 0.000 0.483 664 A N -0.113 122.754 122.820 0.078 0.000 2.574 664 A HA 0.692 5.012 4.320 0.000 0.000 0.297 664 A C -0.774 176.741 177.584 -0.115 0.000 1.062 664 A CA -0.178 51.904 52.037 0.075 0.000 0.686 664 A CB 1.694 20.860 19.000 0.276 0.000 1.285 664 A HN 0.069 nan 8.150 nan 0.000 0.403 665 S N 0.143 115.560 115.700 -0.472 0.000 2.596 665 S HA 0.974 5.444 4.470 0.000 0.000 0.270 665 S C -0.262 173.553 174.600 -1.308 0.000 1.155 665 S CA -0.126 57.471 58.200 -1.006 0.000 0.827 665 S CB 1.474 64.391 63.200 -0.471 0.000 1.130 665 S HN 2.509 nan 8.310 nan 0.000 0.467 666 G N 0.135 107.914 108.800 -1.701 0.000 2.559 666 G HA2 0.627 4.587 3.960 0.000 0.000 0.291 666 G HA3 0.627 4.587 3.960 0.000 0.000 0.291 666 G C -2.185 172.318 174.900 -0.661 0.000 1.424 666 G CA -0.740 43.801 45.100 -0.931 0.000 0.786 666 G HN 1.078 nan 8.290 nan 0.000 0.485 667 E N -1.167 118.866 120.200 -0.278 0.000 2.272 667 E HA 0.671 5.021 4.350 0.000 0.000 0.269 667 E C -1.495 175.073 176.600 -0.054 0.000 0.877 667 E CA -1.010 55.212 56.400 -0.296 0.000 0.755 667 E CB 2.750 32.094 29.700 -0.594 0.000 1.192 667 E HN 0.366 nan 8.360 nan 0.000 0.422 668 V N 2.931 122.847 119.914 0.005 0.000 2.531 668 V HA 0.394 4.514 4.120 0.000 0.000 0.301 668 V C -2.376 173.731 176.094 0.021 0.000 1.034 668 V CA -2.234 60.097 62.300 0.052 0.000 0.865 668 V CB 1.675 33.566 31.823 0.112 0.000 0.995 668 V HN 0.709 nan 8.190 nan 0.000 0.424 669 P HA 0.190 nan 4.420 nan 0.000 0.268 669 P C -0.641 176.680 177.300 0.035 0.000 1.205 669 P CA 0.027 63.144 63.100 0.028 0.000 0.771 669 P CB 0.507 32.229 31.700 0.036 0.000 0.858 670 L N 3.190 124.427 121.223 0.025 0.000 2.276 670 L HA 0.310 4.650 4.340 0.000 0.000 0.286 670 L C 0.394 177.288 176.870 0.040 0.000 1.061 670 L CA 0.152 54.994 54.840 0.002 0.000 0.807 670 L CB 0.750 42.752 42.059 -0.095 0.000 1.177 670 L HN 0.314 nan 8.230 nan 0.000 0.429 671 D N 2.883 123.313 120.400 0.050 0.000 2.513 671 D HA 0.316 4.956 4.640 0.000 0.000 0.295 671 D C -1.174 175.114 176.300 -0.020 0.000 1.202 671 D CA -0.110 53.960 54.000 0.117 0.000 0.849 671 D CB 0.923 41.837 40.800 0.191 0.000 1.116 671 D HN 0.038 nan 8.370 nan 0.000 0.502 672 V N 1.488 121.256 119.914 -0.243 0.000 2.409 672 V HA 0.793 4.913 4.120 0.000 0.000 0.291 672 V C 0.855 176.669 176.094 -0.467 0.000 1.020 672 V CA -1.253 60.935 62.300 -0.185 0.000 0.848 672 V CB 1.188 33.051 31.823 0.067 0.000 0.990 672 V HN 0.494 nan 8.190 nan 0.000 0.430 673 A N 7.385 130.071 122.820 -0.223 0.000 2.406 673 A HA 0.603 4.923 4.320 0.000 0.000 0.243 673 A C -2.144 175.445 177.584 0.008 0.000 1.082 673 A CA -1.227 50.796 52.037 -0.022 0.000 0.786 673 A CB -0.272 18.814 19.000 0.144 0.000 1.029 673 A HN 0.685 nan 8.150 nan 0.000 0.495 674 P HA 0.002 nan 4.420 nan 0.000 0.262 674 P C -0.421 176.880 177.300 0.002 0.000 1.182 674 P CA 0.631 63.748 63.100 0.029 0.000 0.761 674 P CB 0.642 32.348 31.700 0.011 0.000 0.795 675 Q N -0.985 118.804 119.800 -0.018 0.000 2.305 675 Q HA -0.162 4.178 4.340 0.000 0.000 0.203 675 Q C 0.804 176.802 176.000 -0.004 0.000 0.663 675 Q CA 1.844 57.629 55.803 -0.029 0.000 1.389 675 Q CB -2.487 26.227 28.738 -0.041 0.000 1.566 675 Q HN 0.764 nan 8.270 nan 0.000 0.755 676 G N 0.314 109.124 108.800 0.016 0.000 2.557 676 G HA2 0.516 4.476 3.960 0.000 0.000 0.292 676 G HA3 0.516 4.476 3.960 0.000 0.000 0.292 676 G C -0.240 174.681 174.900 0.035 0.000 1.237 676 G CA -0.486 44.630 45.100 0.028 0.000 0.978 676 G HN -0.002 nan 8.290 nan 0.000 0.498 677 K N -0.500 119.921 120.400 0.036 0.000 2.375 677 K HA 0.436 4.756 4.320 0.000 0.000 0.249 677 K C -0.957 175.669 176.600 0.043 0.000 0.942 677 K CA -0.609 55.702 56.287 0.040 0.000 0.806 677 K CB 2.616 35.133 32.500 0.029 0.000 1.227 677 K HN 0.521 nan 8.250 nan 0.000 0.430 678 Q N 3.126 122.955 119.800 0.048 0.000 2.285 678 Q HA 0.373 4.713 4.340 0.000 0.000 0.269 678 Q C -1.587 174.438 176.000 0.042 0.000 1.030 678 Q CA -0.657 55.173 55.803 0.044 0.000 0.788 678 Q CB 1.382 30.148 28.738 0.047 0.000 1.266 678 Q HN 0.546 nan 8.270 nan 0.000 0.438 679 L N 5.203 126.442 121.223 0.026 0.000 2.275 679 L HA 0.521 4.861 4.340 0.000 0.000 0.288 679 L C -0.455 176.415 176.870 0.000 0.000 1.046 679 L CA -0.546 54.300 54.840 0.009 0.000 0.805 679 L CB 1.121 43.178 42.059 -0.003 0.000 1.193 679 L HN 0.583 nan 8.230 nan 0.000 0.426 680 I N 2.782 123.342 120.570 -0.016 0.000 2.382 680 I HA 0.202 4.372 4.170 0.000 0.000 0.285 680 I C -0.170 175.886 176.117 -0.102 0.000 1.007 680 I CA -0.512 60.765 61.300 -0.039 0.000 1.142 680 I CB 1.876 39.867 38.000 -0.014 0.000 1.289 680 I HN 0.524 nan 8.210 nan 0.000 0.453 681 E N 6.881 127.022 120.200 -0.099 0.000 2.152 681 E HA 0.361 4.711 4.350 0.000 0.000 0.285 681 E C -0.892 175.589 176.600 -0.198 0.000 1.043 681 E CA -0.271 56.049 56.400 -0.134 0.000 0.839 681 E CB 0.727 30.374 29.700 -0.089 0.000 1.069 681 E HN 0.436 nan 8.360 nan 0.000 0.399 682 L N 7.006 128.049 121.223 -0.301 0.000 2.426 682 L HA 0.324 4.664 4.340 0.000 0.000 0.271 682 L C -1.600 175.096 176.870 -0.290 0.000 1.169 682 L CA -1.799 52.762 54.840 -0.464 0.000 0.836 682 L CB 0.358 42.043 42.059 -0.623 0.000 1.112 682 L HN 0.565 nan 8.230 nan 0.000 0.465 683 P HA -0.014 nan 4.420 nan 0.000 0.272 683 P C -0.668 176.582 177.300 -0.083 0.000 1.240 683 P CA -0.520 62.529 63.100 -0.087 0.000 0.791 683 P CB 0.473 32.192 31.700 0.032 0.000 0.978 684 E N 0.958 121.136 120.200 -0.036 0.000 2.491 684 E HA 0.037 4.387 4.350 0.000 0.000 0.250 684 E C -0.508 176.093 176.600 0.001 0.000 1.061 684 E CA -0.090 56.295 56.400 -0.026 0.000 0.942 684 E CB -0.256 29.436 29.700 -0.012 0.000 0.957 684 E HN 0.293 nan 8.360 nan 0.000 0.480 685 L N 7.674 128.890 121.223 -0.010 0.000 2.331 685 L HA 0.325 4.665 4.340 0.000 0.000 0.278 685 L C -1.725 175.161 176.870 0.027 0.000 1.106 685 L CA -2.012 52.844 54.840 0.027 0.000 0.824 685 L CB 0.628 42.697 42.059 0.016 0.000 1.142 685 L HN 0.508 nan 8.230 nan 0.000 0.443 686 P HA 0.125 nan 4.420 nan 0.000 0.276 686 P C -1.154 176.164 177.300 0.030 0.000 1.235 686 P CA -0.598 62.522 63.100 0.033 0.000 0.772 686 P CB 0.838 32.561 31.700 0.039 0.000 0.871 687 Q N 3.915 123.727 119.800 0.020 0.000 2.286 687 Q HA 0.236 4.576 4.340 0.000 0.000 0.267 687 Q C -1.644 174.369 176.000 0.022 0.000 1.028 687 Q CA -0.945 54.869 55.803 0.018 0.000 0.901 687 Q CB -0.400 28.344 28.738 0.010 0.000 1.183 687 Q HN 0.406 nan 8.270 nan 0.000 0.392 688 P HA -0.014 nan 4.420 nan 0.000 0.275 688 P C -0.285 177.029 177.300 0.024 0.000 1.228 688 P CA -0.169 62.948 63.100 0.029 0.000 0.786 688 P CB 0.987 32.709 31.700 0.038 0.000 0.927 689 E N 0.310 120.524 120.200 0.023 0.000 2.107 689 E HA -0.052 4.298 4.350 0.000 0.000 0.191 689 E C 0.802 177.416 176.600 0.023 0.000 0.982 689 E CA 0.184 56.596 56.400 0.020 0.000 0.809 689 E CB -0.332 29.378 29.700 0.018 0.000 0.756 689 E HN 0.358 nan 8.360 nan 0.000 0.459 690 S N 0.464 116.180 115.700 0.027 0.000 2.585 690 S HA 0.404 4.874 4.470 0.000 0.000 0.273 690 S C 0.126 174.747 174.600 0.035 0.000 1.339 690 S CA -0.154 58.064 58.200 0.031 0.000 1.028 690 S CB 0.837 64.057 63.200 0.034 0.000 0.906 690 S HN 0.412 nan 8.310 nan 0.000 0.528 691 A N 2.567 125.409 122.820 0.037 0.000 2.366 691 A HA 0.717 5.037 4.320 0.000 0.000 0.249 691 A C 0.922 178.539 177.584 0.055 0.000 1.084 691 A CA 0.330 52.392 52.037 0.041 0.000 0.794 691 A CB -0.597 18.427 19.000 0.040 0.000 1.034 691 A HN 1.957 nan 8.150 nan 0.000 0.491 692 G N -0.772 108.062 108.800 0.057 0.000 2.359 692 G HA2 0.429 4.389 3.960 0.000 0.000 0.303 692 G HA3 0.429 4.389 3.960 0.000 0.000 0.303 692 G C -1.096 173.845 174.900 0.069 0.000 1.293 692 G CA -0.117 45.032 45.100 0.081 0.000 0.964 692 G HN 1.194 nan 8.290 nan 0.000 0.531 693 Q N -0.249 119.615 119.800 0.106 0.000 2.307 693 Q HA 0.729 5.069 4.340 0.000 0.000 0.262 693 Q C -0.322 175.746 176.000 0.112 0.000 0.961 693 Q CA -0.609 55.218 55.803 0.040 0.000 0.882 693 Q CB 1.313 30.043 28.738 -0.013 0.000 1.264 693 Q HN 0.595 nan 8.270 nan 0.000 0.446 694 L N 4.254 125.481 121.223 0.006 0.000 2.331 694 L HA 0.403 4.743 4.340 0.000 0.000 0.278 694 L C -0.780 176.083 176.870 -0.012 0.000 1.106 694 L CA -0.250 54.632 54.840 0.071 0.000 0.824 694 L CB 0.592 42.674 42.059 0.038 0.000 1.142 694 L HN 0.671 nan 8.230 nan 0.000 0.443 695 W N 4.430 125.788 121.300 0.096 0.000 2.656 695 W HA 0.470 5.130 4.660 -0.000 0.000 0.327 695 W C -0.715 175.907 176.519 0.171 0.000 1.041 695 W CA -0.546 56.878 57.345 0.132 0.000 1.229 695 W CB 1.637 31.194 29.460 0.160 0.000 1.397 695 W HN 0.137 nan 8.180 nan 0.000 0.479 696 L N 3.898 125.379 121.223 0.429 0.000 2.275 696 L HA 0.693 5.033 4.340 0.000 0.000 0.288 696 L C -0.224 176.943 176.870 0.495 0.000 1.046 696 L CA 0.283 55.378 54.840 0.424 0.000 0.805 696 L CB 0.928 43.199 42.059 0.353 0.000 1.193 696 L HN 0.313 nan 8.230 nan 0.000 0.426 697 T N 5.220 120.011 114.554 0.396 0.000 2.807 697 T HA 0.641 4.991 4.350 0.000 0.000 0.279 697 T C -0.617 174.269 174.700 0.311 0.000 0.993 697 T CA -0.461 61.827 62.100 0.314 0.000 0.970 697 T CB 1.478 70.469 68.868 0.206 0.000 0.950 697 T HN 0.582 nan 8.240 nan 0.000 0.441 698 V N 1.721 121.789 119.914 0.256 0.000 2.715 698 V HA 0.921 5.041 4.120 0.000 0.000 0.310 698 V C -0.606 175.564 176.094 0.127 0.000 1.054 698 V CA -1.311 61.104 62.300 0.191 0.000 0.928 698 V CB 1.734 33.621 31.823 0.106 0.000 1.007 698 V HN 1.012 nan 8.190 nan 0.000 0.437 699 R N 2.238 122.848 120.500 0.183 0.000 2.604 699 R HA 0.799 5.139 4.340 0.000 0.000 0.281 699 R C -1.995 174.460 176.300 0.259 0.000 1.020 699 R CA -0.797 55.443 56.100 0.233 0.000 0.899 699 R CB 2.089 32.496 30.300 0.179 0.000 1.205 699 R HN 0.520 nan 8.270 nan 0.000 0.450 700 V N 3.455 123.553 119.914 0.307 0.000 2.406 700 V HA 0.268 4.388 4.120 0.000 0.000 0.272 700 V C -0.082 176.157 176.094 0.241 0.000 1.043 700 V CA -0.479 61.979 62.300 0.264 0.000 0.915 700 V CB 1.326 33.307 31.823 0.264 0.000 0.988 700 V HN 0.537 nan 8.190 nan 0.000 0.466 701 V N 5.376 125.423 119.914 0.221 0.000 2.513 701 V HA 0.384 4.504 4.120 0.000 0.000 0.299 701 V C -0.126 176.074 176.094 0.178 0.000 1.035 701 V CA -0.767 61.641 62.300 0.179 0.000 0.889 701 V CB 1.922 33.841 31.823 0.160 0.000 0.988 701 V HN 0.882 nan 8.190 nan 0.000 0.440 702 Q N 5.188 125.092 119.800 0.173 0.000 2.421 702 Q HA 0.253 4.593 4.340 0.000 0.000 0.242 702 Q C -1.852 174.203 176.000 0.091 0.000 1.024 702 Q CA -1.707 54.184 55.803 0.147 0.000 0.891 702 Q CB 1.667 30.504 28.738 0.166 0.000 1.222 702 Q HN 0.482 nan 8.270 nan 0.000 0.483 703 P HA -0.153 nan 4.420 nan 0.000 0.217 703 P C -0.286 177.030 177.300 0.027 0.000 1.150 703 P CA 1.172 64.308 63.100 0.060 0.000 0.832 703 P CB 0.394 32.131 31.700 0.062 0.000 0.787 704 N N -0.339 118.368 118.700 0.012 0.000 2.473 704 N HA 0.374 5.114 4.740 0.000 0.000 0.291 704 N C -0.127 175.344 175.510 -0.066 0.000 1.083 704 N CA -0.449 52.590 53.050 -0.019 0.000 0.951 704 N CB 1.113 39.591 38.487 -0.014 0.000 1.164 704 N HN -0.069 nan 8.380 nan 0.000 0.480 705 A N 0.888 123.659 122.820 -0.081 0.000 2.406 705 A HA 0.480 4.800 4.320 0.000 0.000 0.243 705 A C 0.781 178.249 177.584 -0.192 0.000 1.082 705 A CA -0.015 51.937 52.037 -0.143 0.000 0.786 705 A CB 0.028 18.969 19.000 -0.098 0.000 1.029 705 A HN 0.753 nan 8.150 nan 0.000 0.495 706 T N -2.939 111.419 114.554 -0.326 0.000 2.742 706 T HA 0.628 4.978 4.350 0.000 0.000 0.282 706 T C 1.060 175.618 174.700 -0.237 0.000 1.025 706 T CA 0.042 61.938 62.100 -0.340 0.000 1.020 706 T CB 1.046 69.512 68.868 -0.670 0.000 1.317 706 T HN 1.367 nan 8.240 nan 0.000 0.538 707 A N -0.007 122.764 122.820 -0.082 0.000 2.019 707 A HA 0.051 4.371 4.320 0.000 0.000 0.219 707 A C 1.770 179.515 177.584 0.268 0.000 1.164 707 A CA 1.444 53.549 52.037 0.112 0.000 0.644 707 A CB -0.966 18.126 19.000 0.153 0.000 0.805 707 A HN 0.930 nan 8.150 nan 0.000 0.449 708 W N -0.892 120.479 121.300 0.118 0.000 2.871 708 W HA 0.400 5.060 4.660 -0.000 0.000 0.340 708 W C -0.132 176.357 176.519 -0.049 0.000 1.058 708 W CA 0.555 57.930 57.345 0.051 0.000 1.633 708 W CB -0.845 28.636 29.460 0.034 0.000 1.067 708 W HN 0.438 nan 8.180 nan 0.000 0.554 709 S N 0.194 115.526 115.700 -0.613 0.000 2.556 709 S HA 0.432 4.902 4.470 0.000 0.000 0.271 709 S C -0.942 173.436 174.600 -0.371 0.000 1.135 709 S CA -0.757 57.079 58.200 -0.606 0.000 0.858 709 S CB 2.664 65.110 63.200 -1.257 0.000 1.114 709 S HN 0.117 nan 8.310 nan 0.000 0.468 710 E N 0.721 120.811 120.200 -0.183 0.000 2.345 710 E HA 0.565 4.915 4.350 0.000 0.000 0.259 710 E C 0.237 176.802 176.600 -0.059 0.000 1.117 710 E CA -0.779 55.571 56.400 -0.083 0.000 0.913 710 E CB 0.871 30.565 29.700 -0.010 0.000 1.057 710 E HN 0.869 nan 8.360 nan 0.000 0.432 711 A N 0.804 123.602 122.820 -0.037 0.000 2.511 711 A HA 0.384 4.704 4.320 0.000 0.000 0.242 711 A C 1.123 178.720 177.584 0.022 0.000 1.069 711 A CA 0.727 52.757 52.037 -0.011 0.000 0.763 711 A CB -0.556 18.438 19.000 -0.009 0.000 1.001 711 A HN 0.812 nan 8.150 nan 0.000 0.498 712 G N 0.908 109.732 108.800 0.041 0.000 2.157 712 G HA2 -0.238 3.722 3.960 0.000 0.000 0.248 712 G HA3 -0.238 3.722 3.960 0.000 0.000 0.248 712 G C 0.193 175.135 174.900 0.069 0.000 0.979 712 G CA 0.586 45.710 45.100 0.040 0.000 0.650 712 G HN 1.714 nan 8.290 nan 0.000 0.529 713 H N 0.657 119.734 119.070 0.013 0.000 3.070 713 H HA 0.435 4.991 4.556 0.000 0.000 0.313 713 H C 0.817 176.221 175.328 0.126 0.000 0.997 713 H CA 0.240 56.322 56.048 0.057 0.000 1.438 713 H CB 0.139 29.913 29.762 0.020 0.000 1.455 713 H HN 0.311 nan 8.280 nan 0.000 0.575 714 I N 4.901 125.252 120.570 -0.364 0.000 2.325 714 I HA 0.035 4.205 4.170 0.000 0.000 0.291 714 I C 0.966 176.966 176.117 -0.194 0.000 1.019 714 I CA 0.112 61.317 61.300 -0.159 0.000 1.302 714 I CB 1.393 39.353 38.000 -0.067 0.000 1.401 714 I HN 0.771 nan 8.210 nan 0.000 0.485 715 S N 4.150 119.949 115.700 0.165 0.000 2.505 715 S HA 0.543 5.013 4.470 0.000 0.000 0.216 715 S C 0.472 175.344 174.600 0.453 0.000 1.018 715 S CA -0.002 58.427 58.200 0.381 0.000 0.911 715 S CB 0.613 64.156 63.200 0.573 0.000 0.818 715 S HN 0.695 nan 8.310 nan 0.000 0.497 716 A N 0.547 123.672 122.820 0.509 0.000 2.604 716 A HA 0.680 5.000 4.320 0.000 0.000 0.295 716 A C -1.721 176.231 177.584 0.615 0.000 1.067 716 A CA -0.900 51.419 52.037 0.470 0.000 0.683 716 A CB 0.579 19.924 19.000 0.574 0.000 1.281 716 A HN 0.919 nan 8.150 nan 0.000 0.407 717 W N 0.129 121.618 121.300 0.316 0.000 3.066 717 W HA 0.810 5.470 4.660 0.000 0.000 0.330 717 W C -1.235 175.332 176.519 0.080 0.000 1.253 717 W CA -0.636 56.775 57.345 0.110 0.000 1.187 717 W CB 1.230 30.725 29.460 0.059 0.000 1.434 717 W HN 0.938 nan 8.180 nan 0.000 0.572 718 Q N 1.089 120.900 119.800 0.019 0.000 2.527 718 Q HA 0.415 4.755 4.340 0.000 0.000 0.280 718 Q C -1.606 174.203 176.000 -0.320 0.000 0.977 718 Q CA -0.475 55.188 55.803 -0.233 0.000 0.837 718 Q CB 2.457 30.887 28.738 -0.514 0.000 1.454 718 Q HN 0.626 nan 8.270 nan 0.000 0.387 719 Q N 1.321 120.868 119.800 -0.422 0.000 2.413 719 Q HA 0.649 4.989 4.340 0.000 0.000 0.276 719 Q C -1.148 174.631 176.000 -0.368 0.000 1.099 719 Q CA -0.684 55.043 55.803 -0.127 0.000 0.814 719 Q CB 2.303 31.186 28.738 0.242 0.000 1.379 719 Q HN 0.593 nan 8.270 nan 0.000 0.436 720 W N 0.897 122.330 121.300 0.222 0.000 3.107 720 W HA 0.449 5.109 4.660 -0.000 0.000 0.331 720 W C -0.427 175.994 176.519 -0.163 0.000 1.204 720 W CA -0.711 56.664 57.345 0.050 0.000 1.184 720 W CB 1.601 31.067 29.460 0.011 0.000 1.421 720 W HN 0.415 nan 8.180 nan 0.000 0.544 721 R N 1.766 122.121 120.500 -0.242 0.000 2.340 721 R HA 0.411 4.751 4.340 0.000 0.000 0.300 721 R C 0.501 176.650 176.300 -0.252 0.000 1.069 721 R CA -0.141 55.581 56.100 -0.630 0.000 0.984 721 R CB 1.044 30.903 30.300 -0.735 0.000 1.003 721 R HN 0.287 nan 8.270 nan 0.000 0.459 722 L N 1.434 122.516 121.223 -0.235 0.000 2.719 722 L HA 0.491 4.831 4.340 0.000 0.000 0.182 722 L C 0.630 177.419 176.870 -0.135 0.000 1.940 722 L CA -0.948 53.817 54.840 -0.125 0.000 2.839 722 L CB -0.134 41.889 42.059 -0.060 0.000 2.949 722 L HN 0.582 nan 8.230 nan 0.000 0.669 723 A N 0.510 123.278 122.820 -0.087 0.000 2.462 723 A HA 0.175 4.495 4.320 0.000 0.000 0.243 723 A C -0.264 177.275 177.584 -0.075 0.000 1.076 723 A CA 0.195 52.190 52.037 -0.070 0.000 0.773 723 A CB 0.010 18.986 19.000 -0.041 0.000 1.010 723 A HN 0.584 nan 8.150 nan 0.000 0.493 724 E N 1.811 121.970 120.200 -0.068 0.000 2.187 724 E HA 0.290 4.640 4.350 0.000 0.000 0.268 724 E C -1.253 175.335 176.600 -0.021 0.000 0.896 724 E CA -0.722 55.647 56.400 -0.051 0.000 0.766 724 E CB 0.778 30.436 29.700 -0.069 0.000 1.142 724 E HN 0.703 nan 8.360 nan 0.000 0.408 725 N N 5.285 123.984 118.700 -0.002 0.000 2.511 725 N HA 0.248 4.988 4.740 0.000 0.000 0.249 725 N C -0.558 174.962 175.510 0.017 0.000 0.971 725 N CA -0.328 52.727 53.050 0.008 0.000 0.938 725 N CB 1.134 39.629 38.487 0.014 0.000 1.131 725 N HN 0.483 nan 8.380 nan 0.000 0.505 726 L N 0.959 122.191 121.223 0.014 0.000 2.453 726 L HA 0.081 4.421 4.340 0.000 0.000 0.272 726 L C 1.296 178.182 176.870 0.026 0.000 1.182 726 L CA 0.011 54.864 54.840 0.022 0.000 0.858 726 L CB 0.537 42.607 42.059 0.019 0.000 1.120 726 L HN 0.391 nan 8.230 nan 0.000 0.474 727 S N 2.206 117.926 115.700 0.034 0.000 2.488 727 S HA 0.196 4.666 4.470 0.000 0.000 0.278 727 S C 0.730 175.348 174.600 0.029 0.000 1.259 727 S CA -0.765 57.455 58.200 0.034 0.000 1.061 727 S CB 0.700 63.925 63.200 0.042 0.000 0.910 727 S HN 0.469 nan 8.310 nan 0.000 0.491 728 V N 2.419 122.348 119.914 0.024 0.000 3.645 728 V HA 0.288 4.408 4.120 0.000 0.000 0.275 728 V C 0.900 177.006 176.094 0.019 0.000 1.356 728 V CA 0.325 62.637 62.300 0.020 0.000 1.051 728 V CB -0.900 30.932 31.823 0.016 0.000 0.828 728 V HN 0.878 nan 8.190 nan 0.000 0.441 729 T N 1.212 115.778 114.554 0.020 0.000 2.834 729 T HA 0.565 4.915 4.350 0.000 0.000 0.298 729 T C -0.303 174.408 174.700 0.018 0.000 0.966 729 T CA -0.238 61.873 62.100 0.018 0.000 1.141 729 T CB 0.833 69.712 68.868 0.019 0.000 0.905 729 T HN 0.204 nan 8.240 nan 0.000 0.535 730 L N 5.752 126.983 121.223 0.014 0.000 2.380 730 L HA 0.350 4.690 4.340 0.000 0.000 0.273 730 L C -1.239 175.636 176.870 0.009 0.000 1.138 730 L CA -1.360 53.487 54.840 0.011 0.000 0.832 730 L CB -0.221 41.842 42.059 0.007 0.000 1.124 730 L HN 0.633 nan 8.230 nan 0.000 0.454 731 P HA 0.171 nan 4.420 nan 0.000 0.268 731 P C -0.745 176.548 177.300 -0.011 0.000 1.205 731 P CA -0.550 62.552 63.100 0.004 0.000 0.771 731 P CB 0.703 32.407 31.700 0.007 0.000 0.858 732 A N 2.730 125.540 122.820 -0.017 0.000 2.540 732 A HA 0.391 4.711 4.320 0.000 0.000 0.239 732 A C 0.838 178.376 177.584 -0.076 0.000 1.061 732 A CA 0.046 52.061 52.037 -0.037 0.000 0.758 732 A CB -0.497 18.483 19.000 -0.032 0.000 0.991 732 A HN 0.736 nan 8.150 nan 0.000 0.502 733 A N 3.061 125.833 122.820 -0.081 0.000 2.548 733 A HA 0.408 4.728 4.320 0.000 0.000 0.247 733 A C 0.933 178.387 177.584 -0.216 0.000 1.067 733 A CA 0.699 52.675 52.037 -0.102 0.000 0.757 733 A CB -0.237 18.724 19.000 -0.066 0.000 0.996 733 A HN 1.298 nan 8.150 nan 0.000 0.504 734 S N 1.101 116.693 115.700 -0.181 0.000 2.565 734 S HA 0.252 4.722 4.470 0.000 0.000 0.276 734 S C 1.037 175.502 174.600 -0.226 0.000 1.326 734 S CA -0.314 57.739 58.200 -0.244 0.000 1.045 734 S CB 0.079 63.226 63.200 -0.089 0.000 0.918 734 S HN 0.748 nan 8.310 nan 0.000 0.505 735 H N 2.691 121.776 119.070 0.025 0.000 2.372 735 H HA 0.300 4.856 4.556 0.000 0.000 0.301 735 H C 1.070 176.415 175.328 0.028 0.000 1.065 735 H CA 0.827 56.889 56.048 0.023 0.000 1.364 735 H CB -0.149 29.625 29.762 0.021 0.000 1.406 735 H HN 0.625 nan 8.280 nan 0.000 0.521 736 A N 1.336 124.244 122.820 0.147 0.000 2.371 736 A HA 0.476 4.796 4.320 0.000 0.000 0.257 736 A C -0.333 177.297 177.584 0.076 0.000 1.089 736 A CA -0.277 51.824 52.037 0.107 0.000 0.794 736 A CB 0.033 19.101 19.000 0.113 0.000 1.029 736 A HN 0.297 nan 8.150 nan 0.000 0.488 737 I N 3.361 123.977 120.570 0.076 0.000 2.447 737 I HA 0.328 4.498 4.170 0.000 0.000 0.287 737 I C -2.138 174.036 176.117 0.094 0.000 1.023 737 I CA -1.966 59.374 61.300 0.067 0.000 1.083 737 I CB 2.164 40.198 38.000 0.058 0.000 1.245 737 I HN 0.499 nan 8.210 nan 0.000 0.434 738 P HA 0.061 nan 4.420 nan 0.000 0.271 738 P C -1.081 176.304 177.300 0.141 0.000 1.216 738 P CA 0.144 63.315 63.100 0.118 0.000 0.776 738 P CB 0.820 32.548 31.700 0.047 0.000 0.881 739 H N 2.851 121.970 119.070 0.081 0.000 2.469 739 H HA 0.351 4.907 4.556 0.000 0.000 0.342 739 H C -1.119 174.258 175.328 0.082 0.000 1.115 739 H CA -0.989 55.099 56.048 0.066 0.000 1.204 739 H CB 1.702 31.501 29.762 0.062 0.000 1.492 739 H HN 0.242 nan 8.280 nan 0.000 0.499 740 L N 4.881 125.736 121.223 -0.614 0.000 2.265 740 L HA 0.267 4.607 4.340 0.000 0.000 0.288 740 L C -0.635 175.887 176.870 -0.579 0.000 1.058 740 L CA 0.059 54.642 54.840 -0.427 0.000 0.809 740 L CB 1.144 43.049 42.059 -0.257 0.000 1.179 740 L HN 0.563 nan 8.230 nan 0.000 0.429 741 T N 3.647 118.107 114.554 -0.155 0.000 2.772 741 T HA 0.407 4.757 4.350 0.000 0.000 0.288 741 T C -0.258 174.514 174.700 0.119 0.000 0.994 741 T CA -0.329 61.788 62.100 0.028 0.000 0.951 741 T CB 0.751 69.701 68.868 0.137 0.000 0.933 741 T HN 0.657 nan 8.240 nan 0.000 0.447 742 T N 3.466 118.094 114.554 0.123 0.000 2.756 742 T HA 0.536 4.886 4.350 0.000 0.000 0.290 742 T C 0.519 175.256 174.700 0.062 0.000 0.985 742 T CA -0.722 61.475 62.100 0.161 0.000 0.955 742 T CB 0.756 69.757 68.868 0.221 0.000 0.930 742 T HN 0.675 nan 8.240 nan 0.000 0.451 743 S N 2.543 118.246 115.700 0.004 0.000 2.786 743 S HA 0.498 4.968 4.470 0.000 0.000 0.307 743 S C 0.951 175.491 174.600 -0.099 0.000 1.121 743 S CA -0.882 57.301 58.200 -0.029 0.000 0.975 743 S CB 1.239 64.431 63.200 -0.013 0.000 1.220 743 S HN 0.439 nan 8.310 nan 0.000 0.550 744 E N 0.116 120.269 120.200 -0.079 0.000 2.072 744 E HA 0.010 4.360 4.350 0.000 0.000 0.190 744 E C 1.669 178.186 176.600 -0.138 0.000 0.982 744 E CA 1.174 57.514 56.400 -0.100 0.000 0.803 744 E CB -0.230 29.436 29.700 -0.057 0.000 0.755 744 E HN 0.554 nan 8.360 nan 0.000 0.453 745 M N 0.340 119.879 119.600 -0.101 0.000 2.510 745 M HA 0.088 4.568 4.480 0.000 0.000 0.256 745 M C -0.143 176.092 176.300 -0.108 0.000 1.132 745 M CA 0.678 55.927 55.300 -0.086 0.000 1.105 745 M CB 0.130 32.712 32.600 -0.030 0.000 1.375 745 M HN -0.181 nan 8.290 nan 0.000 0.477 746 D N -0.689 119.630 120.400 -0.135 0.000 2.819 746 D HA 0.360 5.000 4.640 0.000 0.000 0.232 746 D C -1.400 174.826 176.300 -0.123 0.000 1.160 746 D CA -0.341 53.616 54.000 -0.071 0.000 0.858 746 D CB 2.344 43.178 40.800 0.056 0.000 1.610 746 D HN -0.155 nan 8.370 nan 0.000 0.481 747 F N 1.202 121.230 119.950 0.130 0.000 2.385 747 F HA 0.307 4.834 4.527 0.000 0.000 0.360 747 F C 0.295 176.224 175.800 0.216 0.000 1.122 747 F CA -0.753 57.319 58.000 0.120 0.000 1.090 747 F CB 0.884 39.919 39.000 0.058 0.000 1.150 747 F HN 0.132 nan 8.300 nan 0.000 0.472 748 C N 5.279 124.794 119.300 0.358 0.000 2.411 748 C HA 0.735 5.195 4.460 0.000 0.000 0.330 748 C C 0.093 175.247 174.990 0.273 0.000 1.224 748 C CA -1.078 58.129 59.018 0.315 0.000 1.770 748 C CB 0.796 28.670 27.740 0.224 0.000 2.297 748 C HN 0.615 nan 8.230 nan 0.000 0.507 749 I N 2.504 123.292 120.570 0.363 0.000 2.436 749 I HA 0.406 4.576 4.170 0.000 0.000 0.289 749 I C -0.547 175.845 176.117 0.460 0.000 1.010 749 I CA -0.191 61.317 61.300 0.346 0.000 1.098 749 I CB 1.642 39.828 38.000 0.309 0.000 1.266 749 I HN 0.589 nan 8.210 nan 0.000 0.434 750 E N 5.712 126.122 120.200 0.349 0.000 2.212 750 E HA 0.705 5.055 4.350 0.000 0.000 0.268 750 E C -1.317 175.476 176.600 0.323 0.000 0.902 750 E CA -0.619 55.964 56.400 0.306 0.000 0.779 750 E CB 2.589 32.420 29.700 0.219 0.000 1.172 750 E HN 0.333 nan 8.360 nan 0.000 0.409 751 L N 2.880 124.281 121.223 0.297 0.000 2.617 751 L HA 0.551 4.891 4.340 0.000 0.000 0.259 751 L C 0.267 177.223 176.870 0.143 0.000 0.995 751 L CA 0.586 55.578 54.840 0.253 0.000 0.899 751 L CB 0.814 43.106 42.059 0.387 0.000 1.181 751 L HN 0.652 nan 8.230 nan 0.000 0.437 752 G N 4.176 113.032 108.800 0.093 0.000 2.583 752 G HA2 -0.419 3.541 3.960 0.000 0.000 0.292 752 G HA3 -0.419 3.541 3.960 0.000 0.000 0.292 752 G C 0.512 175.421 174.900 0.015 0.000 1.203 752 G CA 0.567 45.695 45.100 0.046 0.000 0.987 752 G HN 1.197 nan 8.290 nan 0.000 0.554 753 N N 1.399 120.093 118.700 -0.010 0.000 2.314 753 N HA 0.117 4.857 4.740 0.000 0.000 0.200 753 N C 0.438 175.906 175.510 -0.070 0.000 1.135 753 N CA 0.774 53.801 53.050 -0.039 0.000 0.835 753 N CB 0.154 38.617 38.487 -0.039 0.000 0.989 753 N HN 0.750 nan 8.380 nan 0.000 0.478 754 K N 0.472 120.815 120.400 -0.095 0.000 2.118 754 K HA 0.391 4.711 4.320 0.000 0.000 0.267 754 K C -0.408 176.016 176.600 -0.294 0.000 0.991 754 K CA -0.564 55.560 56.287 -0.271 0.000 0.916 754 K CB 1.716 33.984 32.500 -0.386 0.000 1.041 754 K HN 0.037 nan 8.250 nan 0.000 0.455 755 R N 2.211 122.447 120.500 -0.441 0.000 2.548 755 R HA 0.272 4.612 4.340 0.000 0.000 0.280 755 R C -1.710 174.433 176.300 -0.262 0.000 1.061 755 R CA -0.591 55.426 56.100 -0.138 0.000 0.915 755 R CB 1.229 31.599 30.300 0.115 0.000 1.210 755 R HN 0.633 nan 8.270 nan 0.000 0.442 756 W N 4.110 125.484 121.300 0.123 0.000 2.471 756 W HA 0.300 4.960 4.660 -0.000 0.000 0.318 756 W C -0.459 176.081 176.519 0.035 0.000 1.034 756 W CA -0.617 56.717 57.345 -0.018 0.000 1.224 756 W CB 1.930 31.382 29.460 -0.013 0.000 1.335 756 W HN 0.450 nan 8.180 nan 0.000 0.452 757 Q N 3.274 123.112 119.800 0.063 0.000 2.348 757 Q HA 0.377 4.717 4.340 0.000 0.000 0.265 757 Q C -1.722 174.197 176.000 -0.135 0.000 0.998 757 Q CA -0.476 55.396 55.803 0.115 0.000 0.831 757 Q CB 0.954 29.840 28.738 0.248 0.000 1.251 757 Q HN 0.333 nan 8.270 nan 0.000 0.456 758 F N 3.232 123.253 119.950 0.118 0.000 2.361 758 F HA 0.278 4.805 4.527 0.000 0.000 0.364 758 F C 0.684 176.526 175.800 0.070 0.000 1.117 758 F CA -0.823 57.222 58.000 0.074 0.000 1.071 758 F CB 1.002 40.052 39.000 0.084 0.000 1.188 758 F HN 0.509 nan 8.300 nan 0.000 0.464 759 N N 3.709 122.512 118.700 0.173 0.000 2.452 759 N HA 0.036 4.776 4.740 0.000 0.000 0.266 759 N C 0.990 176.544 175.510 0.073 0.000 1.209 759 N CA 0.166 53.278 53.050 0.102 0.000 0.929 759 N CB 0.701 39.247 38.487 0.098 0.000 1.063 759 N HN 0.694 nan 8.380 nan 0.000 0.472 760 R N 2.215 122.696 120.500 -0.032 0.000 2.240 760 R HA -0.095 4.245 4.340 0.000 0.000 0.203 760 R C 1.502 177.763 176.300 -0.065 0.000 1.011 760 R CA 0.628 56.665 56.100 -0.105 0.000 1.007 760 R CB 0.149 30.265 30.300 -0.307 0.000 0.911 760 R HN 0.597 nan 8.270 nan 0.000 0.468 761 Q N 0.665 120.447 119.800 -0.031 0.000 2.062 761 Q HA -0.080 4.260 4.340 0.000 0.000 0.196 761 Q C 2.008 178.008 176.000 -0.000 0.000 0.967 761 Q CA 2.125 57.919 55.803 -0.016 0.000 0.832 761 Q CB 0.107 28.848 28.738 0.005 0.000 0.899 761 Q HN 0.241 nan 8.270 nan 0.000 0.442 762 S N -1.783 113.943 115.700 0.042 0.000 2.406 762 S HA 0.199 4.669 4.470 0.000 0.000 0.224 762 S C 1.515 176.057 174.600 -0.098 0.000 1.030 762 S CA 0.650 58.895 58.200 0.076 0.000 0.958 762 S CB -0.133 63.223 63.200 0.260 0.000 0.811 762 S HN 0.772 nan 8.310 nan 0.000 0.489 763 G N 0.445 109.206 108.800 -0.065 0.000 2.132 763 G HA2 -0.191 3.769 3.960 0.000 0.000 0.234 763 G HA3 -0.191 3.769 3.960 0.000 0.000 0.234 763 G C -0.130 174.713 174.900 -0.095 0.000 0.989 763 G CA 0.148 45.194 45.100 -0.090 0.000 0.676 763 G HN 0.531 nan 8.290 nan 0.000 0.522 764 F N -1.230 118.895 119.950 0.292 0.000 2.556 764 F HA 0.658 5.185 4.527 0.000 0.000 0.327 764 F C 0.522 176.356 175.800 0.057 0.000 1.059 764 F CA -1.492 56.635 58.000 0.211 0.000 0.953 764 F CB 1.512 40.591 39.000 0.132 0.000 1.227 764 F HN 0.005 nan 8.300 nan 0.000 0.478 765 L N 2.178 123.436 121.223 0.058 0.000 2.565 765 L HA 0.104 4.444 4.340 0.000 0.000 0.275 765 L C 1.031 177.779 176.870 -0.205 0.000 1.137 765 L CA 0.510 55.069 54.840 -0.468 0.000 0.915 765 L CB 0.160 41.844 42.059 -0.625 0.000 1.232 765 L HN 0.725 nan 8.230 nan 0.000 0.473 766 S N 2.489 118.074 115.700 -0.191 0.000 2.470 766 S HA 0.199 4.669 4.470 0.000 0.000 0.222 766 S C 0.602 175.052 174.600 -0.250 0.000 1.024 766 S CA -0.044 58.081 58.200 -0.123 0.000 0.931 766 S CB 0.077 63.258 63.200 -0.031 0.000 0.791 766 S HN 0.662 nan 8.310 nan 0.000 0.513 767 Q N -0.268 119.299 119.800 -0.388 0.000 2.426 767 Q HA 0.653 4.993 4.340 0.000 0.000 0.278 767 Q C -1.939 173.624 176.000 -0.728 0.000 1.007 767 Q CA -0.255 55.160 55.803 -0.646 0.000 0.850 767 Q CB 1.779 29.947 28.738 -0.949 0.000 1.427 767 Q HN 0.392 nan 8.270 nan 0.000 0.391 768 M N 1.749 120.868 119.600 -0.801 0.000 2.530 768 M HA 0.609 5.089 4.480 0.000 0.000 0.307 768 M C -1.367 174.507 176.300 -0.711 0.000 1.161 768 M CA -0.494 54.388 55.300 -0.696 0.000 0.903 768 M CB 1.998 34.226 32.600 -0.619 0.000 1.711 768 M HN 0.462 nan 8.290 nan 0.000 0.451 769 W N 3.287 124.359 121.300 -0.379 0.000 2.819 769 W HA 0.593 5.253 4.660 0.000 0.000 0.337 769 W C -1.348 174.983 176.519 -0.314 0.000 1.077 769 W CA -0.614 56.566 57.345 -0.276 0.000 1.226 769 W CB 1.589 30.922 29.460 -0.212 0.000 1.419 769 W HN 0.497 nan 8.180 nan 0.000 0.502 770 I N 3.416 123.988 120.570 0.003 0.000 2.437 770 I HA 0.380 4.550 4.170 0.000 0.000 0.279 770 I C 0.830 176.942 176.117 -0.008 0.000 1.028 770 I CA 0.122 61.388 61.300 -0.057 0.000 1.142 770 I CB 0.928 38.870 38.000 -0.097 0.000 1.266 770 I HN 0.690 nan 8.210 nan 0.000 0.461 771 G N 5.285 114.074 108.800 -0.018 0.000 2.561 771 G HA2 -0.300 3.660 3.960 0.000 0.000 0.289 771 G HA3 -0.300 3.660 3.960 0.000 0.000 0.289 771 G C 0.488 175.384 174.900 -0.007 0.000 1.169 771 G CA 0.448 45.533 45.100 -0.025 0.000 0.980 771 G HN 0.522 nan 8.290 nan 0.000 0.550 772 D N 1.289 121.692 120.400 0.006 0.000 2.339 772 D HA 0.135 4.775 4.640 0.000 0.000 0.217 772 D C 1.131 177.509 176.300 0.131 0.000 1.050 772 D CA 0.484 54.503 54.000 0.030 0.000 0.856 772 D CB 0.220 41.018 40.800 -0.004 0.000 0.922 772 D HN 0.431 nan 8.370 nan 0.000 0.518 773 K N 2.040 122.508 120.400 0.114 0.000 2.276 773 K HA 0.100 4.420 4.320 0.000 0.000 0.285 773 K C 0.184 176.840 176.600 0.094 0.000 1.062 773 K CA -0.564 55.773 56.287 0.083 0.000 0.918 773 K CB 0.643 33.149 32.500 0.010 0.000 1.055 773 K HN -0.108 nan 8.250 nan 0.000 0.477 774 K N 3.534 123.942 120.400 0.014 0.000 2.185 774 K HA 0.106 4.426 4.320 0.000 0.000 0.271 774 K C 0.095 176.571 176.600 -0.207 0.000 1.013 774 K CA -0.669 55.461 56.287 -0.261 0.000 0.943 774 K CB 1.336 33.659 32.500 -0.295 0.000 0.998 774 K HN 0.470 nan 8.250 nan 0.000 0.468 775 Q N 1.341 120.970 119.800 -0.284 0.000 2.396 775 Q HA 0.230 4.570 4.340 0.000 0.000 0.220 775 Q C 0.261 176.200 176.000 -0.103 0.000 0.900 775 Q CA 0.563 56.302 55.803 -0.106 0.000 0.925 775 Q CB 0.318 29.028 28.738 -0.048 0.000 1.065 775 Q HN 0.599 nan 8.270 nan 0.000 0.535 776 L N 0.798 121.884 121.223 -0.229 0.000 2.346 776 L HA 0.376 4.716 4.340 0.000 0.000 0.276 776 L C 0.909 177.649 176.870 -0.217 0.000 1.006 776 L CA -0.347 54.367 54.840 -0.209 0.000 0.817 776 L CB 1.735 43.650 42.059 -0.240 0.000 1.272 776 L HN -0.081 nan 8.230 nan 0.000 0.421 777 L N 0.632 121.723 121.223 -0.220 0.000 2.408 777 L HA 0.218 4.558 4.340 0.000 0.000 0.215 777 L C 0.168 176.920 176.870 -0.197 0.000 1.081 777 L CA 0.716 55.434 54.840 -0.203 0.000 0.840 777 L CB 0.453 42.382 42.059 -0.218 0.000 1.002 777 L HN 0.613 nan 8.230 nan 0.000 0.468 778 T N 0.125 114.526 114.554 -0.255 0.000 2.886 778 T HA 0.397 4.747 4.350 0.000 0.000 0.292 778 T C -2.545 172.064 174.700 -0.151 0.000 1.012 778 T CA -1.225 60.766 62.100 -0.183 0.000 0.982 778 T CB 2.369 71.103 68.868 -0.223 0.000 1.018 778 T HN -0.269 nan 8.240 nan 0.000 0.451 779 P HA 0.125 nan 4.420 nan 0.000 0.269 779 P C -0.581 176.670 177.300 -0.082 0.000 1.217 779 P CA -0.704 62.351 63.100 -0.075 0.000 0.783 779 P CB 0.425 32.119 31.700 -0.011 0.000 0.898 780 L N 3.542 124.744 121.223 -0.034 0.000 2.369 780 L HA 0.236 4.576 4.340 0.000 0.000 0.279 780 L C 0.217 177.013 176.870 -0.123 0.000 1.108 780 L CA 0.701 55.551 54.840 0.018 0.000 0.852 780 L CB -0.647 41.522 42.059 0.184 0.000 1.169 780 L HN 0.295 nan 8.230 nan 0.000 0.452 781 R N 2.791 123.132 120.500 -0.266 0.000 2.837 781 R HA 0.447 4.787 4.340 0.000 0.000 0.271 781 R C -1.030 175.091 176.300 -0.300 0.000 0.993 781 R CA -1.043 54.695 56.100 -0.604 0.000 0.931 781 R CB 1.335 31.201 30.300 -0.723 0.000 1.206 781 R HN 0.545 nan 8.270 nan 0.000 0.474 782 D N 1.172 121.432 120.400 -0.234 0.000 2.399 782 D HA 0.065 4.705 4.640 0.000 0.000 0.241 782 D C -0.482 175.373 176.300 -0.742 0.000 1.133 782 D CA 0.384 54.100 54.000 -0.473 0.000 0.890 782 D CB 0.740 41.184 40.800 -0.594 0.000 1.201 782 D HN 0.176 nan 8.370 nan 0.000 0.432 783 Q N 1.245 120.438 119.800 -1.012 0.000 2.285 783 Q HA 0.346 4.686 4.340 0.000 0.000 0.269 783 Q C -1.215 174.062 176.000 -1.206 0.000 1.030 783 Q CA -0.593 54.674 55.803 -0.893 0.000 0.788 783 Q CB 0.874 29.314 28.738 -0.497 0.000 1.266 783 Q HN 0.559 nan 8.270 nan 0.000 0.438 784 F N 0.565 120.092 119.950 -0.705 0.000 2.729 784 F HA 0.199 4.726 4.527 0.000 0.000 0.315 784 F C 0.524 175.856 175.800 -0.780 0.000 1.102 784 F CA -0.242 57.228 58.000 -0.883 0.000 1.204 784 F CB 1.526 39.629 39.000 -1.495 0.000 1.052 784 F HN 0.402 nan 8.300 nan 0.000 0.551 785 T N -0.766 113.462 114.554 -0.544 0.000 2.916 785 T HA 0.755 5.105 4.350 0.000 0.000 0.292 785 T C -0.571 173.868 174.700 -0.435 0.000 1.055 785 T CA -0.976 60.750 62.100 -0.624 0.000 1.009 785 T CB 2.728 71.184 68.868 -0.686 0.000 1.118 785 T HN 0.256 nan 8.240 nan 0.000 0.497 786 R N 0.216 120.493 120.500 -0.372 0.000 2.795 786 R HA 0.778 5.118 4.340 0.000 0.000 0.275 786 R C -0.615 175.715 176.300 0.051 0.000 0.981 786 R CA -1.209 54.805 56.100 -0.143 0.000 0.917 786 R CB 1.541 31.764 30.300 -0.129 0.000 1.202 786 R HN 0.811 nan 8.270 nan 0.000 0.469 787 A N 3.757 126.602 122.820 0.042 0.000 2.515 787 A HA 0.235 4.555 4.320 0.000 0.000 0.263 787 A C -1.928 175.709 177.584 0.090 0.000 1.096 787 A CA -1.162 50.904 52.037 0.049 0.000 0.769 787 A CB -0.525 18.457 19.000 -0.029 0.000 1.040 787 A HN 0.571 nan 8.150 nan 0.000 0.505 788 P HA 0.098 nan 4.420 nan 0.000 0.264 788 P C -0.201 177.187 177.300 0.146 0.000 1.193 788 P CA 0.406 63.650 63.100 0.239 0.000 0.763 788 P CB 0.389 32.253 31.700 0.272 0.000 0.810 789 L N 2.595 123.882 121.223 0.107 0.000 2.475 789 L HA 0.141 4.481 4.340 0.000 0.000 0.253 789 L C 1.833 178.706 176.870 0.005 0.000 1.198 789 L CA -0.486 54.352 54.840 -0.004 0.000 0.814 789 L CB -0.151 41.849 42.059 -0.099 0.000 1.134 789 L HN 0.260 nan 8.230 nan 0.000 0.478 790 D N 0.213 120.562 120.400 -0.085 0.000 2.149 790 D HA -0.158 4.482 4.640 0.000 0.000 0.198 790 D C 1.662 177.885 176.300 -0.127 0.000 0.990 790 D CA 1.396 55.299 54.000 -0.163 0.000 0.839 790 D CB -0.110 40.520 40.800 -0.284 0.000 0.948 790 D HN 0.470 nan 8.370 nan 0.000 0.460 791 N N 0.956 119.596 118.700 -0.100 0.000 2.309 791 N HA -0.102 4.638 4.740 0.000 0.000 0.182 791 N C 1.121 176.645 175.510 0.023 0.000 1.018 791 N CA 0.677 53.695 53.050 -0.055 0.000 0.876 791 N CB -0.155 38.292 38.487 -0.068 0.000 0.972 791 N HN 0.233 nan 8.380 nan 0.000 0.434 792 D N 0.521 120.953 120.400 0.054 0.000 2.183 792 D HA 0.009 4.649 4.640 0.000 0.000 0.203 792 D C 1.978 178.329 176.300 0.086 0.000 0.969 792 D CA 0.514 54.586 54.000 0.120 0.000 0.842 792 D CB 0.071 41.025 40.800 0.256 0.000 0.957 792 D HN 0.332 nan 8.370 nan 0.000 0.484 793 I N -0.023 120.585 120.570 0.063 0.000 2.494 793 I HA 0.086 4.256 4.170 0.000 0.000 0.250 793 I C 1.856 177.999 176.117 0.044 0.000 1.112 793 I CA 0.612 61.941 61.300 0.049 0.000 1.438 793 I CB -0.359 37.661 38.000 0.034 0.000 1.111 793 I HN 0.068 nan 8.210 nan 0.000 0.431 794 G N 1.456 110.285 108.800 0.050 0.000 2.583 794 G HA2 -0.345 3.615 3.960 0.000 0.000 0.292 794 G HA3 -0.345 3.615 3.960 0.000 0.000 0.292 794 G C 0.714 175.786 174.900 0.286 0.000 1.203 794 G CA 0.884 46.072 45.100 0.148 0.000 0.987 794 G HN 0.539 nan 8.290 nan 0.000 0.554 795 V N -1.888 118.163 119.914 0.228 0.000 3.596 795 V HA 0.611 4.731 4.120 0.000 0.000 0.289 795 V C 1.269 177.405 176.094 0.071 0.000 1.336 795 V CA 1.254 63.648 62.300 0.155 0.000 1.137 795 V CB 0.193 32.003 31.823 -0.023 0.000 0.966 795 V HN 1.335 nan 8.190 nan 0.000 0.428 796 S N 1.352 117.088 115.700 0.061 0.000 2.516 796 S HA 0.261 4.731 4.470 0.000 0.000 0.282 796 S C 0.094 174.716 174.600 0.037 0.000 1.286 796 S CA -0.009 58.209 58.200 0.029 0.000 1.066 796 S CB 0.103 63.314 63.200 0.017 0.000 0.884 796 S HN 0.790 nan 8.310 nan 0.000 0.491 797 E N 2.038 122.253 120.200 0.025 0.000 2.370 797 E HA 0.605 4.955 4.350 0.000 0.000 0.259 797 E C 0.848 177.466 176.600 0.031 0.000 0.947 797 E CA -0.712 55.708 56.400 0.033 0.000 0.809 797 E CB 0.968 30.685 29.700 0.028 0.000 1.300 797 E HN 0.574 nan 8.360 nan 0.000 0.419 798 A N 0.031 122.874 122.820 0.039 0.000 1.929 798 A HA -0.138 4.182 4.320 0.000 0.000 0.216 798 A C 2.019 179.618 177.584 0.026 0.000 1.176 798 A CA 2.200 54.258 52.037 0.035 0.000 0.628 798 A CB -0.874 18.153 19.000 0.044 0.000 0.816 798 A HN 0.657 nan 8.150 nan 0.000 0.444 799 T N -3.118 111.449 114.554 0.023 0.000 3.009 799 T HA 0.166 4.516 4.350 0.000 0.000 0.258 799 T C 0.964 175.666 174.700 0.003 0.000 1.063 799 T CA 0.246 62.354 62.100 0.014 0.000 1.139 799 T CB -0.024 68.852 68.868 0.014 0.000 0.890 799 T HN 0.319 nan 8.240 nan 0.000 0.471 800 R N 0.953 121.452 120.500 -0.001 0.000 2.363 800 R HA 0.518 4.858 4.340 0.000 0.000 0.297 800 R C -1.123 175.172 176.300 -0.009 0.000 1.208 800 R CA -0.421 55.672 56.100 -0.012 0.000 1.121 800 R CB 0.864 31.148 30.300 -0.027 0.000 1.124 800 R HN 0.352 nan 8.270 nan 0.000 0.561 801 I N 1.713 122.279 120.570 -0.008 0.000 2.441 801 I HA 0.006 4.176 4.170 0.000 0.000 0.287 801 I C 0.380 176.484 176.117 -0.021 0.000 1.049 801 I CA 0.009 61.304 61.300 -0.008 0.000 1.381 801 I CB 0.708 38.706 38.000 -0.004 0.000 1.409 801 I HN 0.310 nan 8.210 nan 0.000 0.523 802 D N 9.310 129.696 120.400 -0.024 0.000 2.443 802 D HA 0.217 4.857 4.640 0.000 0.000 0.221 802 D C -1.551 174.712 176.300 -0.063 0.000 1.097 802 D CA -2.422 51.553 54.000 -0.040 0.000 0.865 802 D CB 1.318 42.099 40.800 -0.032 0.000 1.034 802 D HN 0.215 nan 8.370 nan 0.000 0.511 803 P HA -0.104 nan 4.420 nan 0.000 0.225 803 P C 0.858 178.068 177.300 -0.150 0.000 1.148 803 P CA 0.507 63.553 63.100 -0.091 0.000 0.779 803 P CB 0.510 32.166 31.700 -0.075 0.000 0.780 804 N N 0.455 119.060 118.700 -0.159 0.000 2.376 804 N HA 0.011 4.751 4.740 0.000 0.000 0.177 804 N C 0.567 175.881 175.510 -0.326 0.000 1.024 804 N CA 0.195 53.106 53.050 -0.232 0.000 0.893 804 N CB -0.597 37.785 38.487 -0.175 0.000 0.980 804 N HN -0.045 nan 8.380 nan 0.000 0.439 805 A N -0.400 122.281 122.820 -0.231 0.000 2.531 805 A HA 0.016 4.336 4.320 0.000 0.000 0.236 805 A C 0.779 178.159 177.584 -0.340 0.000 1.062 805 A CA -0.210 51.694 52.037 -0.222 0.000 0.760 805 A CB -0.265 18.680 19.000 -0.092 0.000 0.995 805 A HN 0.546 nan 8.150 nan 0.000 0.501 806 W N 1.645 122.696 121.300 -0.414 0.000 2.338 806 W HA -0.162 4.498 4.660 -0.000 0.000 0.304 806 W C 2.220 178.112 176.519 -1.046 0.000 1.212 806 W CA 1.650 58.471 57.345 -0.874 0.000 1.264 806 W CB -0.276 28.581 29.460 -1.004 0.000 1.142 806 W HN 0.570 nan 8.180 nan 0.000 0.512 807 V N 0.813 120.596 119.914 -0.218 0.000 2.343 807 V HA -0.255 3.865 4.120 0.000 0.000 0.247 807 V C 2.122 178.304 176.094 0.147 0.000 1.051 807 V CA 2.098 64.501 62.300 0.173 0.000 1.036 807 V CB -0.323 31.641 31.823 0.234 0.000 0.654 807 V HN 0.079 nan 8.190 nan 0.000 0.451 808 E N -0.189 120.005 120.200 -0.009 0.000 2.107 808 E HA -0.150 4.200 4.350 0.000 0.000 0.191 808 E C 2.342 178.912 176.600 -0.050 0.000 0.982 808 E CA 0.878 57.272 56.400 -0.010 0.000 0.809 808 E CB -0.318 29.355 29.700 -0.045 0.000 0.756 808 E HN 0.593 nan 8.360 nan 0.000 0.459 809 R N -0.098 120.291 120.500 -0.184 0.000 2.081 809 R HA -0.115 4.225 4.340 0.000 0.000 0.235 809 R C 2.255 178.482 176.300 -0.122 0.000 1.131 809 R CA 1.229 57.192 56.100 -0.229 0.000 0.960 809 R CB -0.132 29.906 30.300 -0.437 0.000 0.856 809 R HN 0.259 nan 8.270 nan 0.000 0.436 810 W N 1.271 122.547 121.300 -0.040 0.000 2.379 810 W HA -0.076 4.584 4.660 0.000 0.000 0.307 810 W C 1.962 178.463 176.519 -0.030 0.000 1.200 810 W CA 0.680 57.918 57.345 -0.179 0.000 1.297 810 W CB -0.706 28.773 29.460 0.031 0.000 1.140 810 W HN 0.092 nan 8.180 nan 0.000 0.507 811 K N 0.124 120.750 120.400 0.376 0.000 2.057 811 K HA -0.101 4.219 4.320 0.000 0.000 0.207 811 K C 2.260 178.934 176.600 0.123 0.000 1.049 811 K CA 1.806 58.268 56.287 0.292 0.000 0.931 811 K CB -0.522 32.098 32.500 0.200 0.000 0.714 811 K HN -0.013 nan 8.250 nan 0.000 0.440 812 A N 0.971 123.832 122.820 0.068 0.000 2.015 812 A HA -0.019 4.301 4.320 0.000 0.000 0.219 812 A C 2.167 179.772 177.584 0.034 0.000 1.163 812 A CA 1.588 53.651 52.037 0.043 0.000 0.646 812 A CB -0.397 18.612 19.000 0.015 0.000 0.806 812 A HN 0.325 nan 8.150 nan 0.000 0.448 813 A N -1.839 120.977 122.820 -0.007 0.000 2.169 813 A HA 0.408 4.728 4.320 0.000 0.000 0.212 813 A C 1.756 179.328 177.584 -0.021 0.000 1.153 813 A CA 1.219 53.267 52.037 0.018 0.000 0.756 813 A CB -0.752 18.225 19.000 -0.039 0.000 0.813 813 A HN 1.835 nan 8.150 nan 0.000 0.471 814 G N -1.566 107.110 108.800 -0.207 0.000 2.132 814 G HA2 -0.279 3.681 3.960 0.000 0.000 0.234 814 G HA3 -0.279 3.681 3.960 0.000 0.000 0.234 814 G C 0.568 175.456 174.900 -0.020 0.000 0.989 814 G CA 0.606 45.339 45.100 -0.612 0.000 0.676 814 G HN 0.721 nan 8.290 nan 0.000 0.522 815 H N -1.337 117.727 119.070 -0.011 0.000 2.352 815 H HA -0.099 4.457 4.556 0.000 0.000 0.299 815 H C 2.181 177.485 175.328 -0.039 0.000 1.097 815 H CA 1.684 57.748 56.048 0.026 0.000 1.311 815 H CB 0.087 29.814 29.762 -0.057 0.000 1.377 815 H HN 0.602 nan 8.280 nan 0.000 0.504 816 Y N 0.331 120.753 120.300 0.203 0.000 2.561 816 Y HA -0.093 4.457 4.550 0.000 0.000 0.291 816 Y C 2.079 178.053 175.900 0.124 0.000 1.141 816 Y CA 0.326 58.500 58.100 0.124 0.000 1.303 816 Y CB 0.389 38.909 38.460 0.099 0.000 1.015 816 Y HN 0.197 nan 8.280 nan 0.000 0.547 817 Q N -0.395 119.552 119.800 0.246 0.000 2.350 817 Q HA 0.303 4.643 4.340 0.000 0.000 0.225 817 Q C 0.869 177.038 176.000 0.282 0.000 0.878 817 Q CA 0.251 56.192 55.803 0.231 0.000 0.935 817 Q CB 0.139 28.995 28.738 0.198 0.000 1.099 817 Q HN 0.267 nan 8.270 nan 0.000 0.527 818 A N 1.881 124.884 122.820 0.305 0.000 2.540 818 A HA 0.069 4.389 4.320 0.000 0.000 0.239 818 A C -0.184 177.688 177.584 0.480 0.000 1.061 818 A CA 0.373 52.654 52.037 0.406 0.000 0.758 818 A CB 0.107 19.382 19.000 0.459 0.000 0.991 818 A HN 0.114 nan 8.150 nan 0.000 0.502 819 E N 0.849 121.256 120.200 0.346 0.000 2.183 819 E HA 0.499 4.849 4.350 0.000 0.000 0.271 819 E C -0.217 176.343 176.600 -0.066 0.000 0.919 819 E CA -0.647 55.880 56.400 0.211 0.000 0.781 819 E CB 1.852 31.639 29.700 0.146 0.000 1.140 819 E HN 0.809 nan 8.360 nan 0.000 0.402 820 A N 2.411 125.069 122.820 -0.271 0.000 2.444 820 A HA 0.455 4.775 4.320 0.000 0.000 0.273 820 A C -0.104 177.322 177.584 -0.263 0.000 1.136 820 A CA -0.109 51.489 52.037 -0.732 0.000 0.799 820 A CB 0.049 18.779 19.000 -0.449 0.000 1.081 820 A HN 0.570 nan 8.150 nan 0.000 0.509 821 A N 3.198 125.855 122.820 -0.272 0.000 2.271 821 A HA 0.567 4.887 4.320 0.000 0.000 0.317 821 A C -0.300 177.185 177.584 -0.164 0.000 1.245 821 A CA -0.554 51.402 52.037 -0.134 0.000 0.857 821 A CB 0.338 19.286 19.000 -0.088 0.000 1.175 821 A HN 1.176 nan 8.150 nan 0.000 0.512 822 L N 3.320 124.438 121.223 -0.174 0.000 2.360 822 L HA 0.312 4.652 4.340 0.000 0.000 0.276 822 L C 0.450 177.183 176.870 -0.229 0.000 1.121 822 L CA 0.370 55.013 54.840 -0.328 0.000 0.845 822 L CB 0.325 42.214 42.059 -0.284 0.000 1.143 822 L HN 0.773 nan 8.230 nan 0.000 0.452 823 L N 3.326 124.398 121.223 -0.251 0.000 2.470 823 L HA 0.341 4.681 4.340 0.000 0.000 0.219 823 L C 0.469 177.270 176.870 -0.115 0.000 1.071 823 L CA 0.065 54.824 54.840 -0.135 0.000 0.850 823 L CB 0.056 42.065 42.059 -0.084 0.000 1.040 823 L HN 0.687 nan 8.230 nan 0.000 0.475 824 Q N -0.461 119.245 119.800 -0.157 0.000 2.403 824 Q HA 0.315 4.655 4.340 0.000 0.000 0.267 824 Q C -2.054 173.889 176.000 -0.096 0.000 0.991 824 Q CA -0.432 55.315 55.803 -0.092 0.000 0.906 824 Q CB 2.974 31.681 28.738 -0.052 0.000 1.422 824 Q HN 0.068 nan 8.270 nan 0.000 0.400 825 C N 3.461 122.749 119.300 -0.019 0.000 3.171 825 C HA 0.631 5.091 4.460 0.000 0.000 0.336 825 C C -0.638 174.459 174.990 0.179 0.000 1.035 825 C CA 0.169 59.224 59.018 0.062 0.000 1.361 825 C CB 0.070 27.850 27.740 0.067 0.000 1.804 825 C HN 0.796 nan 8.230 nan 0.000 0.535 826 T N 1.877 116.458 114.554 0.044 0.000 2.932 826 T HA 0.897 5.247 4.350 0.000 0.000 0.289 826 T C -0.364 174.090 174.700 -0.411 0.000 1.039 826 T CA -0.379 61.684 62.100 -0.062 0.000 1.024 826 T CB 2.003 70.833 68.868 -0.063 0.000 1.090 826 T HN 1.449 nan 8.240 nan 0.000 0.496 827 A N 1.683 124.095 122.820 -0.680 0.000 2.359 827 A HA 0.720 5.040 4.320 0.000 0.000 0.303 827 A C -1.342 175.983 177.584 -0.430 0.000 1.066 827 A CA -0.757 50.789 52.037 -0.818 0.000 0.730 827 A CB 1.176 19.213 19.000 -1.604 0.000 1.211 827 A HN 0.803 nan 8.150 nan 0.000 0.439 828 D N 0.857 121.074 120.400 -0.305 0.000 2.575 828 D HA 0.607 5.247 4.640 0.000 0.000 0.236 828 D C -0.706 175.497 176.300 -0.161 0.000 1.075 828 D CA 0.070 53.958 54.000 -0.187 0.000 0.860 828 D CB 2.042 42.761 40.800 -0.133 0.000 1.475 828 D HN 0.341 nan 8.370 nan 0.000 0.474 829 T N 1.678 116.164 114.554 -0.113 0.000 2.749 829 T HA 0.479 4.829 4.350 0.000 0.000 0.287 829 T C 0.474 175.139 174.700 -0.059 0.000 0.970 829 T CA -0.491 61.558 62.100 -0.085 0.000 0.980 829 T CB 0.429 69.259 68.868 -0.062 0.000 0.924 829 T HN 0.060 nan 8.240 nan 0.000 0.456 830 L N 1.618 122.808 121.223 -0.055 0.000 2.440 830 L HA 0.566 4.906 4.340 0.000 0.000 0.262 830 L C 2.010 178.865 176.870 -0.024 0.000 1.072 830 L CA -1.049 53.767 54.840 -0.039 0.000 0.798 830 L CB 0.261 42.295 42.059 -0.042 0.000 1.307 830 L HN 0.684 nan 8.230 nan 0.000 0.475 831 A N 0.565 123.375 122.820 -0.017 0.000 1.908 831 A HA -0.187 4.133 4.320 0.000 0.000 0.218 831 A C 1.280 178.862 177.584 -0.005 0.000 1.181 831 A CA 2.140 54.173 52.037 -0.008 0.000 0.627 831 A CB -0.497 18.499 19.000 -0.006 0.000 0.818 831 A HN 0.919 nan 8.150 nan 0.000 0.445 832 D N -2.534 117.859 120.400 -0.012 0.000 2.503 832 D HA 0.537 5.177 4.640 0.000 0.000 0.218 832 D C 0.140 176.428 176.300 -0.019 0.000 1.183 832 D CA 0.664 54.658 54.000 -0.010 0.000 0.827 832 D CB -0.095 40.697 40.800 -0.013 0.000 1.034 832 D HN 0.471 nan 8.370 nan 0.000 0.510 833 A N -0.306 122.496 122.820 -0.031 0.000 2.602 833 A HA 0.652 4.972 4.320 0.000 0.000 0.290 833 A C -1.535 176.006 177.584 -0.070 0.000 1.114 833 A CA -0.728 51.277 52.037 -0.054 0.000 0.683 833 A CB 1.702 20.666 19.000 -0.060 0.000 1.281 833 A HN -0.002 nan 8.150 nan 0.000 0.416 834 V N 0.841 120.694 119.914 -0.101 0.000 2.417 834 V HA 0.537 4.657 4.120 0.000 0.000 0.291 834 V C -0.752 175.248 176.094 -0.156 0.000 1.024 834 V CA -0.388 61.833 62.300 -0.132 0.000 0.861 834 V CB 1.175 32.915 31.823 -0.138 0.000 0.985 834 V HN 0.752 nan 8.190 nan 0.000 0.436 835 L N 6.707 127.830 121.223 -0.167 0.000 2.276 835 L HA 0.574 4.914 4.340 0.000 0.000 0.286 835 L C -0.527 176.198 176.870 -0.242 0.000 1.024 835 L CA 0.061 54.803 54.840 -0.162 0.000 0.826 835 L CB 0.814 42.803 42.059 -0.117 0.000 1.211 835 L HN 0.421 nan 8.230 nan 0.000 0.422 836 I N 4.344 124.755 120.570 -0.265 0.000 2.336 836 I HA 0.347 4.517 4.170 0.000 0.000 0.292 836 I C 0.024 176.073 176.117 -0.114 0.000 0.991 836 I CA -0.180 60.904 61.300 -0.361 0.000 1.227 836 I CB 1.205 38.723 38.000 -0.803 0.000 1.366 836 I HN 0.534 nan 8.210 nan 0.000 0.466 837 T N 4.964 119.453 114.554 -0.109 0.000 2.792 837 T HA 0.589 4.939 4.350 0.000 0.000 0.280 837 T C 0.284 175.000 174.700 0.026 0.000 0.990 837 T CA -0.574 61.516 62.100 -0.017 0.000 0.960 837 T CB 1.648 70.491 68.868 -0.042 0.000 0.939 837 T HN 0.757 nan 8.240 nan 0.000 0.439 838 T N -0.417 114.197 114.554 0.100 0.000 2.916 838 T HA 0.871 5.221 4.350 0.000 0.000 0.292 838 T C -1.034 173.713 174.700 0.079 0.000 1.055 838 T CA -1.100 61.056 62.100 0.092 0.000 1.009 838 T CB 2.026 71.040 68.868 0.243 0.000 1.118 838 T HN 0.770 nan 8.240 nan 0.000 0.497 839 A N 1.628 124.416 122.820 -0.053 0.000 2.437 839 A HA 0.742 5.062 4.320 0.000 0.000 0.293 839 A C -1.383 176.077 177.584 -0.206 0.000 1.038 839 A CA -0.779 51.257 52.037 -0.002 0.000 0.708 839 A CB 0.845 19.848 19.000 0.004 0.000 1.251 839 A HN 0.998 nan 8.150 nan 0.000 0.409 840 H N 0.167 119.283 119.070 0.077 0.000 2.797 840 H HA 0.814 5.370 4.556 0.000 0.000 0.372 840 H C -0.049 175.282 175.328 0.006 0.000 1.168 840 H CA 0.246 56.247 56.048 -0.078 0.000 1.163 840 H CB 2.172 31.785 29.762 -0.248 0.000 1.778 840 H HN 0.994 nan 8.280 nan 0.000 0.551 841 A N 1.697 124.497 122.820 -0.034 0.000 2.359 841 A HA 0.364 4.684 4.320 0.000 0.000 0.303 841 A C -1.449 176.121 177.584 -0.023 0.000 1.066 841 A CA -0.714 51.379 52.037 0.092 0.000 0.730 841 A CB 1.086 20.121 19.000 0.058 0.000 1.211 841 A HN 0.590 nan 8.150 nan 0.000 0.439 842 W N 2.497 123.900 121.300 0.171 0.000 2.308 842 W HA 0.387 5.047 4.660 0.000 0.000 0.311 842 W C -0.260 176.284 176.519 0.042 0.000 1.088 842 W CA -0.110 57.333 57.345 0.163 0.000 1.309 842 W CB 1.333 30.959 29.460 0.276 0.000 1.229 842 W HN 0.743 nan 8.180 nan 0.000 0.427 843 Q N 1.167 121.090 119.800 0.205 0.000 2.351 843 Q HA 0.363 4.703 4.340 0.000 0.000 0.273 843 Q C -1.129 175.000 176.000 0.214 0.000 1.077 843 Q CA -0.902 54.984 55.803 0.140 0.000 0.843 843 Q CB 3.032 31.815 28.738 0.075 0.000 1.367 843 Q HN 0.376 nan 8.270 nan 0.000 0.449 844 H N 0.756 119.865 119.070 0.065 0.000 3.240 844 H HA 0.142 4.698 4.556 0.000 0.000 0.326 844 H C -1.305 174.057 175.328 0.057 0.000 1.015 844 H CA -0.161 55.935 56.048 0.081 0.000 1.504 844 H CB 0.508 30.333 29.762 0.105 0.000 1.754 844 H HN 0.688 nan 8.280 nan 0.000 0.505 845 Q N 3.865 123.489 119.800 -0.292 0.000 2.463 845 Q HA -0.240 4.100 4.340 0.000 0.000 0.299 845 Q C 1.003 176.953 176.000 -0.085 0.000 1.353 845 Q CA 1.155 56.821 55.803 -0.228 0.000 0.828 845 Q CB -1.543 26.991 28.738 -0.339 0.000 1.157 845 Q HN 1.301 nan 8.270 nan 0.000 0.436 846 G N -0.512 108.266 108.800 -0.037 0.000 2.217 846 G HA2 -0.361 3.599 3.960 0.000 0.000 0.246 846 G HA3 -0.361 3.599 3.960 0.000 0.000 0.246 846 G C 0.053 174.957 174.900 0.006 0.000 0.990 846 G CA 0.398 45.492 45.100 -0.010 0.000 0.627 846 G HN 0.324 nan 8.290 nan 0.000 0.522 847 K N 1.999 122.410 120.400 0.019 0.000 2.234 847 K HA 0.617 4.937 4.320 0.000 0.000 0.277 847 K C 0.121 176.733 176.600 0.019 0.000 1.038 847 K CA -0.112 56.190 56.287 0.025 0.000 0.888 847 K CB 0.690 33.215 32.500 0.043 0.000 1.091 847 K HN 0.012 nan 8.250 nan 0.000 0.467 848 T N 6.439 120.994 114.554 0.001 0.000 2.752 848 T HA 0.171 4.521 4.350 0.000 0.000 0.295 848 T C 1.115 175.751 174.700 -0.108 0.000 0.923 848 T CA -0.247 61.845 62.100 -0.013 0.000 1.112 848 T CB 0.242 69.119 68.868 0.016 0.000 0.884 848 T HN 0.540 nan 8.240 nan 0.000 0.525 849 L N 2.485 123.554 121.223 -0.257 0.000 2.130 849 L HA 0.340 4.681 4.340 0.000 0.000 0.200 849 L C -0.015 176.316 176.870 -0.898 0.000 1.075 849 L CA 0.803 55.208 54.840 -0.726 0.000 0.768 849 L CB 0.039 41.364 42.059 -1.222 0.000 0.933 849 L HN 0.514 nan 8.230 nan 0.000 0.451 850 F N -0.796 119.086 119.950 -0.113 0.000 2.576 850 F HA 0.574 5.101 4.527 0.000 0.000 0.313 850 F C -0.433 175.445 175.800 0.131 0.000 1.078 850 F CA -0.791 57.084 58.000 -0.208 0.000 0.921 850 F CB 1.835 40.252 39.000 -0.972 0.000 1.232 850 F HN -0.291 nan 8.300 nan 0.000 0.459 851 I N 1.644 122.419 120.570 0.342 0.000 2.418 851 I HA 0.335 4.505 4.170 0.000 0.000 0.287 851 I C -0.675 175.711 176.117 0.448 0.000 1.008 851 I CA -0.525 61.012 61.300 0.394 0.000 1.104 851 I CB 2.092 40.236 38.000 0.240 0.000 1.264 851 I HN 0.546 nan 8.210 nan 0.000 0.438 852 S N 6.871 122.944 115.700 0.622 0.000 2.474 852 S HA 0.541 5.011 4.470 0.000 0.000 0.321 852 S C -0.542 174.309 174.600 0.417 0.000 1.080 852 S CA -0.669 57.866 58.200 0.558 0.000 1.106 852 S CB 0.541 64.198 63.200 0.760 0.000 0.984 852 S HN 0.521 nan 8.310 nan 0.000 0.464 853 R N 3.623 124.286 120.500 0.272 0.000 2.387 853 R HA 0.539 4.879 4.340 0.000 0.000 0.314 853 R C -0.694 175.676 176.300 0.116 0.000 0.958 853 R CA -0.719 55.491 56.100 0.185 0.000 0.846 853 R CB 1.694 32.075 30.300 0.136 0.000 1.147 853 R HN 0.537 nan 8.270 nan 0.000 0.447 854 K N 0.939 121.395 120.400 0.094 0.000 2.435 854 K HA 0.407 4.727 4.320 0.000 0.000 0.251 854 K C -0.757 175.804 176.600 -0.065 0.000 0.954 854 K CA -0.831 55.435 56.287 -0.035 0.000 0.820 854 K CB 2.616 35.079 32.500 -0.061 0.000 1.292 854 K HN 0.625 nan 8.250 nan 0.000 0.436 855 T N -1.279 113.168 114.554 -0.179 0.000 2.861 855 T HA 0.526 4.876 4.350 0.000 0.000 0.287 855 T C -1.140 173.399 174.700 -0.267 0.000 1.003 855 T CA -0.721 61.299 62.100 -0.132 0.000 0.977 855 T CB 0.482 69.309 68.868 -0.068 0.000 0.996 855 T HN 0.374 nan 8.240 nan 0.000 0.448 856 Y N 1.139 121.395 120.300 -0.074 0.000 2.328 856 Y HA 0.591 5.141 4.550 0.000 0.000 0.333 856 Y C 0.605 176.428 175.900 -0.128 0.000 0.958 856 Y CA -1.041 57.025 58.100 -0.057 0.000 1.167 856 Y CB 1.698 40.135 38.460 -0.038 0.000 1.151 856 Y HN 0.582 nan 8.280 nan 0.000 0.470 857 R N 4.546 125.059 120.500 0.023 0.000 2.337 857 R HA 0.629 4.969 4.340 0.000 0.000 0.319 857 R C -1.584 174.658 176.300 -0.096 0.000 0.954 857 R CA -0.433 55.638 56.100 -0.049 0.000 0.840 857 R CB 0.588 30.864 30.300 -0.038 0.000 1.164 857 R HN 0.755 nan 8.270 nan 0.000 0.472 858 I N 4.880 125.342 120.570 -0.180 0.000 2.362 858 I HA 0.236 4.406 4.170 0.000 0.000 0.289 858 I C -0.380 175.608 176.117 -0.214 0.000 0.994 858 I CA -0.705 60.403 61.300 -0.321 0.000 1.158 858 I CB 1.583 39.190 38.000 -0.655 0.000 1.315 858 I HN 0.666 nan 8.210 nan 0.000 0.451 859 D N 4.054 124.363 120.400 -0.151 0.000 2.650 859 D HA 0.303 4.943 4.640 0.000 0.000 0.255 859 D C 1.197 177.481 176.300 -0.026 0.000 1.135 859 D CA -0.719 53.239 54.000 -0.070 0.000 1.099 859 D CB 0.649 41.425 40.800 -0.040 0.000 1.273 859 D HN 0.431 nan 8.370 nan 0.000 0.628 860 G N -1.184 107.620 108.800 0.006 0.000 2.509 860 G HA2 -0.165 3.795 3.960 0.000 0.000 0.218 860 G HA3 -0.165 3.795 3.960 0.000 0.000 0.218 860 G C 1.174 176.111 174.900 0.061 0.000 1.124 860 G CA 1.058 46.183 45.100 0.042 0.000 0.776 860 G HN 0.530 nan 8.290 nan 0.000 0.547 861 S N -0.769 114.958 115.700 0.045 0.000 2.562 861 S HA 0.341 4.811 4.470 0.000 0.000 0.221 861 S C 1.801 176.463 174.600 0.104 0.000 0.975 861 S CA 0.919 59.156 58.200 0.061 0.000 0.918 861 S CB -0.055 63.169 63.200 0.040 0.000 0.772 861 S HN 1.457 nan 8.310 nan 0.000 0.531 862 G N 0.640 109.519 108.800 0.132 0.000 2.132 862 G HA2 -0.213 3.747 3.960 0.000 0.000 0.228 862 G HA3 -0.213 3.747 3.960 0.000 0.000 0.228 862 G C -0.320 174.705 174.900 0.209 0.000 1.000 862 G CA -0.104 45.149 45.100 0.254 0.000 0.693 862 G HN 0.595 nan 8.290 nan 0.000 0.515 863 Q N -0.442 119.404 119.800 0.077 0.000 2.290 863 Q HA 0.599 4.939 4.340 0.000 0.000 0.259 863 Q C 0.175 176.160 176.000 -0.025 0.000 0.941 863 Q CA -0.437 55.409 55.803 0.072 0.000 0.912 863 Q CB 1.672 30.452 28.738 0.069 0.000 1.244 863 Q HN 0.447 nan 8.270 nan 0.000 0.441 864 M N 2.482 122.099 119.600 0.029 0.000 2.055 864 M HA 0.460 4.940 4.480 0.000 0.000 0.347 864 M C -1.129 175.242 176.300 0.120 0.000 1.123 864 M CA -0.438 54.857 55.300 -0.008 0.000 1.035 864 M CB 0.662 33.254 32.600 -0.012 0.000 1.484 864 M HN 0.677 nan 8.290 nan 0.000 0.428 865 A N 7.094 129.954 122.820 0.066 0.000 2.269 865 A HA 0.608 4.928 4.320 0.000 0.000 0.302 865 A C -0.688 176.918 177.584 0.037 0.000 1.266 865 A CA -0.546 51.533 52.037 0.070 0.000 0.894 865 A CB -0.104 18.920 19.000 0.040 0.000 1.147 865 A HN 0.927 nan 8.150 nan 0.000 0.537 866 I N 2.644 123.229 120.570 0.026 0.000 2.339 866 I HA 0.292 4.462 4.170 0.000 0.000 0.290 866 I C -0.068 175.942 176.117 -0.178 0.000 0.994 866 I CA -0.094 61.127 61.300 -0.133 0.000 1.191 866 I CB 2.009 39.963 38.000 -0.077 0.000 1.343 866 I HN 0.489 nan 8.210 nan 0.000 0.458 867 T N 5.904 120.317 114.554 -0.236 0.000 2.779 867 T HA 0.542 4.892 4.350 0.000 0.000 0.280 867 T C -0.253 174.259 174.700 -0.313 0.000 0.987 867 T CA -0.488 61.478 62.100 -0.224 0.000 0.966 867 T CB 1.655 70.485 68.868 -0.063 0.000 0.933 867 T HN 0.199 nan 8.240 nan 0.000 0.442 868 V N 3.716 123.329 119.914 -0.502 0.000 2.487 868 V HA 0.481 4.601 4.120 0.000 0.000 0.298 868 V C -0.693 175.248 176.094 -0.254 0.000 1.028 868 V CA -0.918 61.104 62.300 -0.464 0.000 0.860 868 V CB 1.976 33.266 31.823 -0.888 0.000 0.991 868 V HN 0.848 nan 8.190 nan 0.000 0.427 869 D N 3.463 123.870 120.400 0.013 0.000 2.549 869 D HA 0.488 5.128 4.640 0.000 0.000 0.251 869 D C -0.981 175.451 176.300 0.219 0.000 1.153 869 D CA -0.124 53.978 54.000 0.169 0.000 0.861 869 D CB 2.729 43.645 40.800 0.194 0.000 1.207 869 D HN 0.267 nan 8.370 nan 0.000 0.543 870 V N 2.418 122.505 119.914 0.287 0.000 2.459 870 V HA 0.263 4.383 4.120 0.000 0.000 0.295 870 V C 0.234 176.497 176.094 0.281 0.000 1.029 870 V CA -0.716 61.777 62.300 0.321 0.000 0.874 870 V CB 2.264 34.323 31.823 0.393 0.000 0.985 870 V HN 0.347 nan 8.190 nan 0.000 0.438 871 E N 2.758 123.107 120.200 0.247 0.000 2.191 871 E HA 0.606 4.956 4.350 0.000 0.000 0.278 871 E C -1.397 175.331 176.600 0.214 0.000 0.972 871 E CA -0.563 55.958 56.400 0.202 0.000 0.804 871 E CB 2.424 32.217 29.700 0.156 0.000 1.110 871 E HN 0.428 nan 8.360 nan 0.000 0.394 872 V N 2.315 122.357 119.914 0.214 0.000 2.407 872 V HA 0.324 4.444 4.120 0.000 0.000 0.291 872 V C 0.043 176.226 176.094 0.148 0.000 1.018 872 V CA -0.966 61.472 62.300 0.229 0.000 0.842 872 V CB 1.428 33.439 31.823 0.313 0.000 0.996 872 V HN 0.835 nan 8.190 nan 0.000 0.426 873 A N 3.661 126.514 122.820 0.056 0.000 2.566 873 A HA 0.229 4.549 4.320 0.000 0.000 0.245 873 A C 1.685 179.330 177.584 0.101 0.000 1.056 873 A CA 0.683 52.746 52.037 0.044 0.000 0.757 873 A CB 0.178 19.163 19.000 -0.024 0.000 0.979 873 A HN 1.382 nan 8.150 nan 0.000 0.508 874 S N 1.598 117.359 115.700 0.103 0.000 2.419 874 S HA -0.185 4.285 4.470 0.000 0.000 0.235 874 S C 1.025 175.696 174.600 0.119 0.000 1.019 874 S CA 1.431 59.711 58.200 0.134 0.000 0.982 874 S CB -0.286 62.974 63.200 0.100 0.000 0.789 874 S HN 0.838 nan 8.310 nan 0.000 0.490 875 D N 0.152 120.596 120.400 0.073 0.000 2.339 875 D HA 0.092 4.732 4.640 0.000 0.000 0.217 875 D C 0.537 176.861 176.300 0.040 0.000 1.050 875 D CA 0.100 54.126 54.000 0.043 0.000 0.856 875 D CB -0.503 40.314 40.800 0.027 0.000 0.922 875 D HN 0.312 nan 8.370 nan 0.000 0.518 876 T N 2.248 116.847 114.554 0.076 0.000 2.889 876 T HA 0.300 4.650 4.350 0.000 0.000 0.291 876 T C -2.507 172.287 174.700 0.156 0.000 0.995 876 T CA -1.690 60.484 62.100 0.125 0.000 1.092 876 T CB 1.196 70.147 68.868 0.139 0.000 0.954 876 T HN -0.078 nan 8.240 nan 0.000 0.506 877 P HA 0.034 nan 4.420 nan 0.000 0.264 877 P C -0.435 177.166 177.300 0.502 0.000 1.183 877 P CA -0.121 63.075 63.100 0.159 0.000 0.763 877 P CB 0.197 31.960 31.700 0.104 0.000 0.807 878 H N 3.550 122.989 119.070 0.616 0.000 3.070 878 H HA 0.058 4.614 4.556 0.000 0.000 0.313 878 H C -1.699 173.967 175.328 0.562 0.000 0.997 878 H CA -1.430 54.922 56.048 0.507 0.000 1.438 878 H CB -0.843 29.159 29.762 0.400 0.000 1.455 878 H HN 0.362 nan 8.280 nan 0.000 0.575 879 P HA 0.058 nan 4.420 nan 0.000 0.274 879 P C 0.395 177.583 177.300 -0.188 0.000 1.231 879 P CA -0.279 62.884 63.100 0.106 0.000 0.790 879 P CB 0.852 32.482 31.700 -0.116 0.000 0.951 880 A N 3.319 125.749 122.820 -0.650 0.000 1.972 880 A HA -0.109 4.211 4.320 0.000 0.000 0.219 880 A C 1.141 178.319 177.584 -0.675 0.000 1.169 880 A CA 1.342 52.950 52.037 -0.714 0.000 0.635 880 A CB -0.526 17.799 19.000 -1.125 0.000 0.810 880 A HN 0.761 nan 8.150 nan 0.000 0.446 881 R N -2.564 117.573 120.500 -0.605 0.000 2.716 881 R HA 0.713 5.053 4.340 0.000 0.000 0.271 881 R C -1.893 174.149 176.300 -0.430 0.000 1.028 881 R CA -0.819 54.948 56.100 -0.554 0.000 0.883 881 R CB 0.726 30.657 30.300 -0.616 0.000 1.250 881 R HN 0.013 nan 8.270 nan 0.000 0.465 882 I N 1.532 121.889 120.570 -0.354 0.000 2.493 882 I HA 0.616 4.786 4.170 0.000 0.000 0.279 882 I C -0.338 175.532 176.117 -0.412 0.000 1.045 882 I CA -0.360 60.749 61.300 -0.319 0.000 1.106 882 I CB 1.821 39.713 38.000 -0.180 0.000 1.216 882 I HN 0.978 nan 8.210 nan 0.000 0.459 883 G N 5.765 114.267 108.800 -0.497 0.000 2.650 883 G HA2 0.750 4.710 3.960 0.000 0.000 0.310 883 G HA3 0.750 4.710 3.960 0.000 0.000 0.310 883 G C -1.669 173.039 174.900 -0.319 0.000 1.270 883 G CA -0.594 44.243 45.100 -0.438 0.000 0.810 883 G HN 0.261 nan 8.290 nan 0.000 0.493 884 L N 0.837 121.928 121.223 -0.220 0.000 2.333 884 L HA 0.656 4.996 4.340 0.000 0.000 0.263 884 L C -0.798 175.960 176.870 -0.187 0.000 1.014 884 L CA -1.163 53.578 54.840 -0.164 0.000 0.820 884 L CB 2.489 44.539 42.059 -0.015 0.000 1.352 884 L HN 0.805 nan 8.230 nan 0.000 0.421 885 N N 0.536 119.154 118.700 -0.136 0.000 2.494 885 N HA 0.706 5.446 4.740 0.000 0.000 0.270 885 N C -1.234 174.281 175.510 0.008 0.000 1.285 885 N CA -0.610 52.401 53.050 -0.065 0.000 0.812 885 N CB 2.229 40.702 38.487 -0.024 0.000 1.557 885 N HN 0.837 nan 8.380 nan 0.000 0.487 886 C N -1.511 117.808 119.300 0.032 0.000 3.312 886 C HA 0.589 5.049 4.460 0.000 0.000 0.332 886 C C -1.042 173.743 174.990 -0.342 0.000 1.340 886 C CA -0.871 58.104 59.018 -0.072 0.000 1.265 886 C CB 1.052 28.782 27.740 -0.016 0.000 1.563 886 C HN 0.852 nan 8.230 nan 0.000 0.471 887 Q N 1.374 120.727 119.800 -0.746 0.000 2.368 887 Q HA 0.646 4.986 4.340 0.000 0.000 0.256 887 Q C -1.057 174.643 176.000 -0.499 0.000 0.980 887 Q CA -0.385 54.758 55.803 -1.099 0.000 0.887 887 Q CB 0.787 28.519 28.738 -1.676 0.000 1.221 887 Q HN 0.763 nan 8.270 nan 0.000 0.458 888 L N 2.679 123.716 121.223 -0.309 0.000 2.371 888 L HA 0.289 4.629 4.340 0.000 0.000 0.272 888 L C 1.185 178.006 176.870 -0.083 0.000 1.124 888 L CA -0.247 54.542 54.840 -0.085 0.000 0.816 888 L CB 0.935 43.050 42.059 0.094 0.000 1.129 888 L HN 0.806 nan 8.230 nan 0.000 0.448 889 A N 1.966 124.766 122.820 -0.033 0.000 1.968 889 A HA -0.115 4.205 4.320 0.000 0.000 0.217 889 A C 1.168 178.761 177.584 0.015 0.000 1.169 889 A CA 0.604 52.619 52.037 -0.037 0.000 0.638 889 A CB -0.282 18.689 19.000 -0.047 0.000 0.812 889 A HN 0.765 nan 8.150 nan 0.000 0.446 890 Q N 0.162 120.015 119.800 0.089 0.000 2.337 890 Q HA 0.367 4.707 4.340 0.000 0.000 0.270 890 Q C -1.085 174.988 176.000 0.122 0.000 1.002 890 Q CA 0.483 56.336 55.803 0.083 0.000 0.888 890 Q CB 0.689 29.495 28.738 0.114 0.000 1.222 890 Q HN 0.158 nan 8.270 nan 0.000 0.400 891 V N 3.890 123.826 119.914 0.037 0.000 2.376 891 V HA 0.774 4.894 4.120 0.000 0.000 0.287 891 V C -0.460 175.603 176.094 -0.051 0.000 1.015 891 V CA -0.389 61.953 62.300 0.072 0.000 0.834 891 V CB 0.887 32.735 31.823 0.042 0.000 1.001 891 V HN 0.886 nan 8.190 nan 0.000 0.428 892 A N 3.157 125.877 122.820 -0.167 0.000 2.330 892 A HA 0.718 5.038 4.320 0.000 0.000 0.329 892 A C 0.725 178.287 177.584 -0.037 0.000 1.135 892 A CA -0.497 51.369 52.037 -0.286 0.000 0.817 892 A CB 1.220 19.776 19.000 -0.741 0.000 1.269 892 A HN 0.792 nan 8.150 nan 0.000 0.469 893 E N 0.122 120.306 120.200 -0.027 0.000 2.107 893 E HA -0.057 4.293 4.350 0.000 0.000 0.191 893 E C 0.114 176.772 176.600 0.097 0.000 0.982 893 E CA 0.760 57.184 56.400 0.039 0.000 0.809 893 E CB 0.118 29.826 29.700 0.015 0.000 0.756 893 E HN 0.426 nan 8.360 nan 0.000 0.459 894 R N 0.457 121.016 120.500 0.098 0.000 2.778 894 R HA 0.484 4.824 4.340 0.000 0.000 0.277 894 R C -0.714 175.749 176.300 0.272 0.000 0.977 894 R CA -0.784 55.410 56.100 0.156 0.000 0.950 894 R CB 1.881 32.242 30.300 0.103 0.000 1.165 894 R HN -0.153 nan 8.270 nan 0.000 0.474 895 V N 2.325 122.429 119.914 0.317 0.000 2.487 895 V HA 0.365 4.485 4.120 0.000 0.000 0.298 895 V C -0.161 176.208 176.094 0.458 0.000 1.028 895 V CA -0.900 61.641 62.300 0.401 0.000 0.860 895 V CB 1.852 33.876 31.823 0.334 0.000 0.991 895 V HN 0.632 nan 8.190 nan 0.000 0.427 896 N N 4.646 123.592 118.700 0.410 0.000 2.399 896 N HA 0.490 5.230 4.740 0.000 0.000 0.280 896 N C -1.487 174.266 175.510 0.404 0.000 1.008 896 N CA -0.425 52.824 53.050 0.332 0.000 0.894 896 N CB 2.380 40.961 38.487 0.156 0.000 1.273 896 N HN 0.822 nan 8.380 nan 0.000 0.486 897 W N 3.652 124.992 121.300 0.067 0.000 3.217 897 W HA 0.542 5.202 4.660 -0.000 0.000 0.323 897 W C -2.007 174.476 176.519 -0.060 0.000 1.216 897 W CA -1.127 56.231 57.345 0.023 0.000 1.194 897 W CB 0.623 30.132 29.460 0.082 0.000 1.397 897 W HN 0.205 nan 8.180 nan 0.000 0.537 898 L N 5.046 126.217 121.223 -0.087 0.000 2.259 898 L HA 0.890 5.230 4.340 0.000 0.000 0.288 898 L C 0.101 176.764 176.870 -0.345 0.000 1.051 898 L CA 0.505 55.106 54.840 -0.398 0.000 0.824 898 L CB 0.301 42.207 42.059 -0.255 0.000 1.206 898 L HN 0.955 nan 8.230 nan 0.000 0.429 899 G N 3.866 112.311 108.800 -0.592 0.000 2.335 899 G HA2 0.214 4.174 3.960 0.000 0.000 0.291 899 G HA3 0.214 4.174 3.960 0.000 0.000 0.291 899 G C -1.621 173.283 174.900 0.007 0.000 1.261 899 G CA -1.064 43.937 45.100 -0.164 0.000 0.871 899 G HN 0.429 nan 8.290 nan 0.000 0.491 900 L N 1.076 122.457 121.223 0.263 0.000 2.367 900 L HA 0.608 4.948 4.340 0.000 0.000 0.275 900 L C 1.076 178.089 176.870 0.238 0.000 1.129 900 L CA 0.708 55.680 54.840 0.221 0.000 0.839 900 L CB 0.549 42.686 42.059 0.130 0.000 1.133 900 L HN 1.143 nan 8.230 nan 0.000 0.453 901 G N 2.921 111.682 108.800 -0.067 0.000 2.428 901 G HA2 0.256 4.216 3.960 0.000 0.000 0.305 901 G HA3 0.256 4.216 3.960 0.000 0.000 0.305 901 G C -2.704 171.470 174.900 -1.210 0.000 1.260 901 G CA -0.241 44.493 45.100 -0.611 0.000 0.853 901 G HN 0.314 nan 8.290 nan 0.000 0.480 902 P HA 0.068 nan 4.420 nan 0.000 0.227 902 P C 0.439 177.533 177.300 -0.343 0.000 1.161 902 P CA 0.668 63.099 63.100 -1.115 0.000 0.788 902 P CB 0.417 31.550 31.700 -0.945 0.000 0.822 903 Q N 0.519 120.111 119.800 -0.346 0.000 2.317 903 Q HA 0.143 4.483 4.340 0.000 0.000 0.229 903 Q C 0.411 176.292 176.000 -0.198 0.000 0.984 903 Q CA -0.605 55.071 55.803 -0.212 0.000 0.911 903 Q CB 0.723 29.355 28.738 -0.175 0.000 1.217 903 Q HN 0.146 nan 8.270 nan 0.000 0.501 904 E N 1.538 121.626 120.200 -0.186 0.000 2.529 904 E HA -0.110 4.240 4.350 0.000 0.000 0.259 904 E C -1.142 175.370 176.600 -0.147 0.000 0.966 904 E CA 0.268 56.546 56.400 -0.204 0.000 0.937 904 E CB 0.211 29.846 29.700 -0.108 0.000 0.923 904 E HN 0.594 nan 8.360 nan 0.000 0.468 905 N N 2.946 121.485 118.700 -0.268 0.000 2.308 905 N HA 0.313 5.053 4.740 0.000 0.000 0.283 905 N C -1.882 173.405 175.510 -0.372 0.000 1.105 905 N CA -0.665 52.282 53.050 -0.173 0.000 0.840 905 N CB 0.768 39.182 38.487 -0.122 0.000 1.633 905 N HN 0.239 nan 8.380 nan 0.000 0.476 906 Y N 0.253 120.464 120.300 -0.148 0.000 2.598 906 Y HA 0.500 5.050 4.550 0.000 0.000 0.340 906 Y C -1.637 174.186 175.900 -0.128 0.000 1.038 906 Y CA -2.072 55.926 58.100 -0.169 0.000 1.100 906 Y CB 2.005 40.359 38.460 -0.175 0.000 1.281 906 Y HN 0.445 nan 8.280 nan 0.000 0.488 907 P HA -0.182 nan 4.420 nan 0.000 0.216 907 P C 0.368 177.511 177.300 -0.262 0.000 1.153 907 P CA 2.120 65.247 63.100 0.045 0.000 0.858 907 P CB 0.185 32.018 31.700 0.221 0.000 0.789 908 D N -2.290 117.740 120.400 -0.615 0.000 2.325 908 D HA 0.005 4.645 4.640 0.000 0.000 0.225 908 D C 0.676 176.811 176.300 -0.276 0.000 1.096 908 D CA 0.111 53.556 54.000 -0.925 0.000 0.844 908 D CB -0.285 39.775 40.800 -1.234 0.000 0.925 908 D HN 0.113 nan 8.370 nan 0.000 0.513 909 R N 0.950 121.390 120.500 -0.100 0.000 2.734 909 R HA 0.166 4.506 4.340 0.000 0.000 0.242 909 R C -0.653 175.676 176.300 0.048 0.000 1.617 909 R CA -0.121 55.990 56.100 0.020 0.000 1.572 909 R CB 0.094 30.412 30.300 0.030 0.000 1.477 909 R HN 0.106 nan 8.270 nan 0.000 0.707 910 L N -1.896 119.362 121.223 0.058 0.000 3.259 910 L HA 0.333 4.673 4.340 0.000 0.000 0.292 910 L C 1.446 178.369 176.870 0.088 0.000 1.219 910 L CA 0.192 55.066 54.840 0.056 0.000 1.035 910 L CB 0.073 42.158 42.059 0.043 0.000 1.424 910 L HN 0.092 nan 8.230 nan 0.000 0.603 911 T N -2.319 112.313 114.554 0.130 0.000 2.788 911 T HA -0.056 4.294 4.350 0.000 0.000 0.268 911 T C 1.848 176.562 174.700 0.024 0.000 1.044 911 T CA 1.461 63.663 62.100 0.169 0.000 1.139 911 T CB -0.415 68.620 68.868 0.279 0.000 0.867 911 T HN 0.387 nan 8.240 nan 0.000 0.454 912 A N 1.981 124.825 122.820 0.041 0.000 1.968 912 A HA 0.586 4.906 4.320 0.000 0.000 0.217 912 A C 1.719 179.372 177.584 0.115 0.000 1.169 912 A CA 0.706 52.739 52.037 -0.006 0.000 0.638 912 A CB -1.104 18.030 19.000 0.225 0.000 0.812 912 A HN 0.884 nan 8.150 nan 0.000 0.446 913 A N -1.022 121.820 122.820 0.036 0.000 2.462 913 A HA 0.423 4.743 4.320 0.000 0.000 0.243 913 A C 0.040 177.652 177.584 0.046 0.000 1.076 913 A CA -0.018 52.011 52.037 -0.014 0.000 0.773 913 A CB -0.232 18.751 19.000 -0.029 0.000 1.010 913 A HN 0.501 nan 8.150 nan 0.000 0.493 914 C N 1.204 120.538 119.300 0.056 0.000 2.456 914 C HA 0.520 4.980 4.460 0.000 0.000 0.325 914 C C 0.009 175.103 174.990 0.174 0.000 1.217 914 C CA -0.504 58.597 59.018 0.138 0.000 1.687 914 C CB 0.593 28.433 27.740 0.167 0.000 2.270 914 C HN 0.795 nan 8.230 nan 0.000 0.499 915 F N 3.833 123.622 119.950 -0.268 0.000 2.472 915 F HA 0.448 4.975 4.527 -0.000 0.000 0.364 915 F C 0.430 175.869 175.800 -0.602 0.000 1.090 915 F CA 1.342 59.000 58.000 -0.569 0.000 1.188 915 F CB -0.004 38.113 39.000 -1.472 0.000 1.105 915 F HN 0.616 nan 8.300 nan 0.000 0.536 916 D N 3.195 122.946 120.400 -1.082 0.000 2.769 916 D HA 0.137 4.777 4.640 0.000 0.000 0.309 916 D C -1.683 173.711 176.300 -1.511 0.000 1.315 916 D CA -0.761 52.502 54.000 -1.227 0.000 0.780 916 D CB 1.324 41.324 40.800 -1.333 0.000 1.312 916 D HN 0.437 nan 8.370 nan 0.000 0.437 917 R N 0.840 120.592 120.500 -1.246 0.000 2.216 917 R HA 0.467 4.807 4.340 0.000 0.000 0.332 917 R C -1.326 174.283 176.300 -1.152 0.000 1.056 917 R CA -0.011 55.503 56.100 -0.978 0.000 0.901 917 R CB 0.043 30.003 30.300 -0.568 0.000 1.039 917 R HN 0.279 nan 8.270 nan 0.000 0.456 918 W N 3.090 123.886 121.300 -0.840 0.000 2.666 918 W HA 0.386 5.046 4.660 -0.000 0.000 0.334 918 W C -0.417 175.738 176.519 -0.607 0.000 1.051 918 W CA -0.759 56.034 57.345 -0.920 0.000 1.224 918 W CB 1.793 30.247 29.460 -1.677 0.000 1.405 918 W HN 0.377 nan 8.180 nan 0.000 0.513 919 D N 3.620 123.999 120.400 -0.035 0.000 2.575 919 D HA 0.455 5.095 4.640 0.000 0.000 0.250 919 D C -1.475 174.919 176.300 0.157 0.000 1.279 919 D CA -0.166 53.887 54.000 0.088 0.000 0.925 919 D CB 1.165 41.981 40.800 0.028 0.000 1.261 919 D HN 0.365 nan 8.370 nan 0.000 0.567 920 L N 3.678 125.061 121.223 0.268 0.000 2.371 920 L HA 0.532 4.872 4.340 0.000 0.000 0.262 920 L C -2.231 174.751 176.870 0.187 0.000 1.006 920 L CA -2.055 52.915 54.840 0.218 0.000 0.818 920 L CB 2.813 45.034 42.059 0.270 0.000 1.354 920 L HN 0.199 nan 8.230 nan 0.000 0.415 921 P HA -0.030 nan 4.420 nan 0.000 0.269 921 P C 0.557 177.934 177.300 0.128 0.000 1.209 921 P CA -0.306 62.862 63.100 0.113 0.000 0.776 921 P CB 0.987 32.733 31.700 0.076 0.000 0.876 922 L N 3.375 124.681 121.223 0.139 0.000 2.127 922 L HA -0.221 4.119 4.340 0.000 0.000 0.211 922 L C 2.346 179.268 176.870 0.086 0.000 1.089 922 L CA 2.552 57.469 54.840 0.128 0.000 0.757 922 L CB -1.398 40.757 42.059 0.161 0.000 0.899 922 L HN 0.463 nan 8.230 nan 0.000 0.434 923 S N -1.885 113.865 115.700 0.085 0.000 2.399 923 S HA -0.167 4.303 4.470 0.000 0.000 0.231 923 S C 1.616 176.277 174.600 0.103 0.000 1.022 923 S CA 1.125 59.386 58.200 0.101 0.000 0.983 923 S CB -0.691 62.557 63.200 0.081 0.000 0.803 923 S HN 0.504 nan 8.310 nan 0.000 0.480 924 D N 1.086 121.525 120.400 0.064 0.000 2.348 924 D HA 0.104 4.744 4.640 0.000 0.000 0.216 924 D C 1.270 177.564 176.300 -0.011 0.000 0.970 924 D CA 0.627 54.640 54.000 0.022 0.000 0.889 924 D CB -0.135 40.686 40.800 0.035 0.000 0.912 924 D HN 0.376 nan 8.370 nan 0.000 0.524 925 M N -0.554 119.053 119.600 0.011 0.000 2.495 925 M HA 0.073 4.553 4.480 0.000 0.000 0.237 925 M C -0.084 176.211 176.300 -0.008 0.000 1.131 925 M CA -0.040 55.222 55.300 -0.064 0.000 1.032 925 M CB -0.762 31.796 32.600 -0.070 0.000 1.513 925 M HN -0.045 nan 8.290 nan 0.000 0.488 926 Y N 0.231 120.486 120.300 -0.076 0.000 2.376 926 Y HA 0.486 5.036 4.550 0.000 0.000 0.340 926 Y C -0.688 175.154 175.900 -0.098 0.000 0.965 926 Y CA -0.933 57.142 58.100 -0.042 0.000 1.078 926 Y CB 1.225 39.730 38.460 0.075 0.000 1.193 926 Y HN -0.120 nan 8.280 nan 0.000 0.452 927 T N 9.130 123.231 114.554 -0.755 0.000 2.744 927 T HA 0.275 4.625 4.350 0.000 0.000 0.291 927 T C -2.637 171.276 174.700 -1.313 0.000 0.957 927 T CA -1.472 60.078 62.100 -0.916 0.000 1.002 927 T CB 1.011 69.402 68.868 -0.795 0.000 0.919 927 T HN 0.468 nan 8.240 nan 0.000 0.468 928 P HA 0.142 nan 4.420 nan 0.000 0.220 928 P C -0.708 176.460 177.300 -0.221 0.000 1.806 928 P CA -0.481 62.219 63.100 -0.666 0.000 0.976 928 P CB -0.710 30.729 31.700 -0.434 0.000 1.952 929 Y N -0.158 120.105 120.300 -0.061 0.000 2.717 929 Y HA -0.095 4.455 4.550 -0.000 0.000 0.330 929 Y C 2.269 178.259 175.900 0.150 0.000 1.217 929 Y CA -0.515 57.640 58.100 0.093 0.000 1.506 929 Y CB 0.502 38.973 38.460 0.019 0.000 1.268 929 Y HN -0.068 nan 8.280 nan 0.000 0.561 930 V N 3.626 123.799 119.914 0.431 0.000 2.282 930 V HA -0.324 3.796 4.120 0.000 0.000 0.249 930 V C 0.621 176.926 176.094 0.352 0.000 1.057 930 V CA 1.493 64.024 62.300 0.386 0.000 1.032 930 V CB -0.518 31.570 31.823 0.442 0.000 0.645 930 V HN 0.566 nan 8.190 nan 0.000 0.447 931 F N 2.794 122.821 119.950 0.128 0.000 2.350 931 F HA 0.455 4.982 4.527 0.000 0.000 0.365 931 F C -2.300 173.518 175.800 0.031 0.000 1.122 931 F CA -3.469 54.541 58.000 0.016 0.000 1.139 931 F CB 0.598 39.516 39.000 -0.137 0.000 1.220 931 F HN 0.032 nan 8.300 nan 0.000 0.499 932 P HA 0.188 nan 4.420 nan 0.000 0.268 932 P C -0.981 176.197 177.300 -0.203 0.000 1.204 932 P CA 0.186 63.180 63.100 -0.178 0.000 0.768 932 P CB 1.019 32.572 31.700 -0.246 0.000 0.842 933 S N 0.375 116.055 115.700 -0.034 0.000 2.727 933 S HA 0.468 4.938 4.470 0.000 0.000 0.278 933 S C -0.730 173.891 174.600 0.036 0.000 1.186 933 S CA -0.979 57.209 58.200 -0.021 0.000 0.836 933 S CB 0.496 63.682 63.200 -0.022 0.000 1.186 933 S HN 0.304 nan 8.310 nan 0.000 0.499 934 E N 1.321 121.541 120.200 0.035 0.000 2.652 934 E HA 0.294 4.644 4.350 0.000 0.000 0.255 934 E C -0.267 176.414 176.600 0.135 0.000 0.952 934 E CA 0.820 57.267 56.400 0.077 0.000 0.947 934 E CB -0.505 29.258 29.700 0.105 0.000 0.912 934 E HN 0.750 nan 8.360 nan 0.000 0.489 935 N N 1.922 120.725 118.700 0.172 0.000 2.823 935 N HA 0.525 5.265 4.740 0.000 0.000 0.251 935 N C 0.180 175.734 175.510 0.073 0.000 1.392 935 N CA -0.518 52.665 53.050 0.221 0.000 0.864 935 N CB 1.205 39.816 38.487 0.206 0.000 1.481 935 N HN 0.651 nan 8.380 nan 0.000 0.508 936 G N -1.021 107.775 108.800 -0.007 0.000 2.162 936 G HA2 -0.264 3.696 3.960 0.000 0.000 0.260 936 G HA3 -0.264 3.696 3.960 0.000 0.000 0.260 936 G C -0.263 174.361 174.900 -0.460 0.000 0.976 936 G CA 0.340 45.316 45.100 -0.207 0.000 0.655 936 G HN 0.707 nan 8.290 nan 0.000 0.533 937 L N 0.902 121.772 121.223 -0.589 0.000 2.485 937 L HA 0.531 4.871 4.340 0.000 0.000 0.275 937 L C 0.509 176.798 176.870 -0.967 0.000 1.207 937 L CA 0.282 54.554 54.840 -0.945 0.000 0.855 937 L CB 0.399 41.618 42.059 -1.400 0.000 1.114 937 L HN 0.211 nan 8.230 nan 0.000 0.485 938 R N 3.788 123.643 120.500 -1.075 0.000 2.513 938 R HA 0.424 4.764 4.340 0.000 0.000 0.301 938 R C -0.868 175.100 176.300 -0.554 0.000 0.968 938 R CA -0.547 55.050 56.100 -0.840 0.000 0.872 938 R CB 0.869 30.477 30.300 -1.153 0.000 1.177 938 R HN 0.640 nan 8.270 nan 0.000 0.444 939 C N -0.367 118.750 119.300 -0.306 0.000 2.352 939 C HA 0.608 5.068 4.460 0.000 0.000 0.387 939 C C 1.477 176.456 174.990 -0.017 0.000 1.294 939 C CA 0.286 59.209 59.018 -0.159 0.000 2.137 939 C CB 0.914 28.583 27.740 -0.119 0.000 2.146 939 C HN 1.036 nan 8.230 nan 0.000 0.559 940 G N 1.738 110.543 108.800 0.009 0.000 2.379 940 G HA2 -0.192 3.768 3.960 0.000 0.000 0.297 940 G HA3 -0.192 3.768 3.960 0.000 0.000 0.297 940 G C -0.029 174.940 174.900 0.116 0.000 1.004 940 G CA 0.644 45.796 45.100 0.087 0.000 0.921 940 G HN 0.805 nan 8.290 nan 0.000 0.511 941 T N -0.000 114.500 114.554 -0.090 0.000 2.806 941 T HA 0.519 4.869 4.350 0.000 0.000 0.290 941 T C 1.313 175.708 174.700 -0.508 0.000 0.966 941 T CA -0.590 61.394 62.100 -0.193 0.000 1.060 941 T CB 1.455 70.215 68.868 -0.180 0.000 0.927 941 T HN 0.230 nan 8.240 nan 0.000 0.485 942 R N 1.452 121.860 120.500 -0.152 0.000 2.307 942 R HA 0.296 4.636 4.340 0.000 0.000 0.200 942 R C 0.478 176.801 176.300 0.038 0.000 0.893 942 R CA 0.164 56.239 56.100 -0.042 0.000 1.042 942 R CB 0.494 30.906 30.300 0.187 0.000 1.059 942 R HN 0.691 nan 8.270 nan 0.000 0.530 943 E N 0.587 120.816 120.200 0.049 0.000 2.321 943 E HA 0.313 4.663 4.350 0.000 0.000 0.281 943 E C -1.854 174.885 176.600 0.231 0.000 0.910 943 E CA -0.644 55.870 56.400 0.189 0.000 0.770 943 E CB 1.569 31.347 29.700 0.129 0.000 1.225 943 E HN -0.097 nan 8.360 nan 0.000 0.417 944 L N 3.958 125.384 121.223 0.338 0.000 2.386 944 L HA 0.601 4.941 4.340 0.000 0.000 0.271 944 L C -1.764 175.295 176.870 0.315 0.000 0.993 944 L CA -0.435 54.549 54.840 0.240 0.000 0.819 944 L CB 1.780 43.845 42.059 0.009 0.000 1.294 944 L HN 0.456 nan 8.230 nan 0.000 0.414 945 N N 4.405 123.264 118.700 0.265 0.000 2.399 945 N HA 0.352 5.092 4.740 0.000 0.000 0.280 945 N C -1.969 173.754 175.510 0.356 0.000 1.008 945 N CA -0.218 52.973 53.050 0.236 0.000 0.894 945 N CB 1.991 40.562 38.487 0.140 0.000 1.273 945 N HN 0.587 nan 8.380 nan 0.000 0.486 946 Y N 1.466 121.891 120.300 0.209 0.000 2.317 946 Y HA 0.410 4.960 4.550 0.000 0.000 0.325 946 Y C 0.804 176.791 175.900 0.146 0.000 1.066 946 Y CA 0.095 58.326 58.100 0.219 0.000 1.203 946 Y CB 0.532 39.197 38.460 0.342 0.000 1.127 946 Y HN 0.845 nan 8.280 nan 0.000 0.451 947 G N 6.400 115.033 108.800 -0.279 0.000 2.596 947 G HA2 -0.336 3.624 3.960 0.000 0.000 0.304 947 G HA3 -0.336 3.624 3.960 0.000 0.000 0.304 947 G C -1.405 173.378 174.900 -0.194 0.000 1.189 947 G CA 0.298 45.232 45.100 -0.275 0.000 0.986 947 G HN 0.564 nan 8.290 nan 0.000 0.548 948 P HA 0.115 nan 4.420 nan 0.000 0.231 948 P C 0.352 177.457 177.300 -0.325 0.000 1.168 948 P CA 0.949 63.857 63.100 -0.320 0.000 0.779 948 P CB -0.036 31.413 31.700 -0.418 0.000 0.844 949 H N 0.518 119.497 119.070 -0.152 0.000 2.582 949 H HA 0.381 4.937 4.556 0.000 0.000 0.345 949 H C 0.065 175.054 175.328 -0.564 0.000 1.104 949 H CA 0.165 55.967 56.048 -0.411 0.000 1.390 949 H CB 1.268 30.560 29.762 -0.782 0.000 1.461 949 H HN 0.133 nan 8.280 nan 0.000 0.551 950 Q N 2.929 122.434 119.800 -0.491 0.000 2.304 950 Q HA 0.222 4.562 4.340 0.000 0.000 0.270 950 Q C -1.440 174.255 176.000 -0.510 0.000 1.035 950 Q CA -0.732 54.862 55.803 -0.348 0.000 0.781 950 Q CB 1.824 30.512 28.738 -0.083 0.000 1.261 950 Q HN 0.576 nan 8.270 nan 0.000 0.444 951 W N 3.995 125.238 121.300 -0.094 0.000 2.529 951 W HA 0.560 5.220 4.660 0.000 0.000 0.321 951 W C -0.176 176.420 176.519 0.129 0.000 1.047 951 W CA -0.697 56.567 57.345 -0.135 0.000 1.216 951 W CB 1.721 30.904 29.460 -0.462 0.000 1.357 951 W HN 0.487 nan 8.180 nan 0.000 0.489 952 R N 0.986 121.711 120.500 0.375 0.000 2.621 952 R HA 0.740 5.080 4.340 0.000 0.000 0.292 952 R C 0.206 176.770 176.300 0.440 0.000 0.969 952 R CA -0.443 55.894 56.100 0.396 0.000 0.887 952 R CB 2.372 32.813 30.300 0.235 0.000 1.180 952 R HN 0.758 nan 8.270 nan 0.000 0.450 953 G N 0.901 109.974 108.800 0.455 0.000 2.600 953 G HA2 0.014 3.974 3.960 0.000 0.000 0.103 953 G HA3 0.014 3.974 3.960 0.000 0.000 0.103 953 G C -1.729 173.302 174.900 0.219 0.000 1.090 953 G CA -0.282 45.043 45.100 0.374 0.000 1.090 953 G HN 0.479 nan 8.290 nan 0.000 0.500 954 D N 0.029 120.563 120.400 0.224 0.000 2.381 954 D HA 0.577 5.217 4.640 0.000 0.000 0.245 954 D C -0.812 175.508 176.300 0.033 0.000 1.297 954 D CA -0.503 53.516 54.000 0.032 0.000 0.931 954 D CB 0.179 41.023 40.800 0.073 0.000 1.334 954 D HN 0.524 nan 8.370 nan 0.000 0.535 955 F N -0.157 119.789 119.950 -0.005 0.000 2.675 955 F HA 0.736 5.263 4.527 0.000 0.000 0.324 955 F C -1.028 174.733 175.800 -0.065 0.000 1.106 955 F CA -1.034 56.905 58.000 -0.102 0.000 0.970 955 F CB 0.871 39.809 39.000 -0.103 0.000 1.385 955 F HN -0.156 nan 8.300 nan 0.000 0.489 956 Q N 1.854 121.740 119.800 0.143 0.000 2.306 956 Q HA 0.609 4.949 4.340 0.000 0.000 0.265 956 Q C -1.290 174.793 176.000 0.139 0.000 1.022 956 Q CA -0.517 55.297 55.803 0.019 0.000 0.853 956 Q CB 2.627 31.276 28.738 -0.148 0.000 1.327 956 Q HN 0.853 nan 8.270 nan 0.000 0.449 957 F N -0.689 119.160 119.950 -0.167 0.000 2.631 957 F HA 0.734 5.261 4.527 0.000 0.000 0.308 957 F C -1.424 174.163 175.800 -0.355 0.000 1.097 957 F CA -1.054 56.798 58.000 -0.246 0.000 0.952 957 F CB 1.644 40.526 39.000 -0.197 0.000 1.307 957 F HN 0.563 nan 8.300 nan 0.000 0.450 958 N N 2.331 120.854 118.700 -0.295 0.000 2.321 958 N HA 0.734 5.474 4.740 0.000 0.000 0.290 958 N C -2.056 173.391 175.510 -0.105 0.000 1.212 958 N CA -0.812 52.039 53.050 -0.332 0.000 0.767 958 N CB 2.652 40.965 38.487 -0.290 0.000 1.494 958 N HN 1.070 nan 8.380 nan 0.000 0.479 959 I N 0.509 121.009 120.570 -0.116 0.000 2.586 959 I HA 0.611 4.781 4.170 0.000 0.000 0.288 959 I C -1.357 174.679 176.117 -0.135 0.000 1.147 959 I CA 0.059 61.266 61.300 -0.156 0.000 1.047 959 I CB 1.140 38.992 38.000 -0.246 0.000 1.244 959 I HN 1.019 nan 8.210 nan 0.000 0.429 960 S N 6.255 121.887 115.700 -0.113 0.000 2.661 960 S HA 0.540 5.010 4.470 0.000 0.000 0.268 960 S C -0.087 174.414 174.600 -0.165 0.000 1.162 960 S CA -0.977 57.155 58.200 -0.113 0.000 0.817 960 S CB 1.814 65.013 63.200 -0.001 0.000 1.141 960 S HN 0.592 nan 8.310 nan 0.000 0.477 961 R N -0.210 120.036 120.500 -0.423 0.000 2.334 961 R HA 0.230 4.570 4.340 0.000 0.000 0.220 961 R C -0.837 175.147 176.300 -0.528 0.000 0.917 961 R CA 0.324 56.140 56.100 -0.473 0.000 1.073 961 R CB -0.874 29.059 30.300 -0.613 0.000 1.056 961 R HN 0.671 nan 8.270 nan 0.000 0.506 962 Y N 0.396 120.657 120.300 -0.065 0.000 2.350 962 Y HA 0.225 4.775 4.550 0.000 0.000 0.338 962 Y C 0.747 176.478 175.900 -0.282 0.000 0.961 962 Y CA -1.155 56.838 58.100 -0.178 0.000 1.100 962 Y CB 1.350 39.653 38.460 -0.263 0.000 1.179 962 Y HN -0.101 nan 8.280 nan 0.000 0.454 963 S N 1.586 117.010 115.700 -0.460 0.000 2.600 963 S HA 0.037 4.507 4.470 0.000 0.000 0.265 963 S C 0.928 175.213 174.600 -0.526 0.000 1.325 963 S CA -0.719 56.855 58.200 -1.042 0.000 1.002 963 S CB 1.076 63.384 63.200 -1.487 0.000 0.921 963 S HN 0.726 nan 8.310 nan 0.000 0.554 964 Q N 0.589 120.082 119.800 -0.512 0.000 2.170 964 Q HA -0.180 4.160 4.340 0.000 0.000 0.203 964 Q C 2.173 178.032 176.000 -0.235 0.000 0.976 964 Q CA 1.674 57.309 55.803 -0.280 0.000 0.858 964 Q CB -0.506 28.095 28.738 -0.228 0.000 0.907 964 Q HN 0.938 nan 8.270 nan 0.000 0.433 965 Q N 0.384 120.003 119.800 -0.301 0.000 2.079 965 Q HA -0.182 4.158 4.340 0.000 0.000 0.200 965 Q C 2.109 178.000 176.000 -0.181 0.000 0.974 965 Q CA 1.230 56.912 55.803 -0.202 0.000 0.840 965 Q CB 0.101 28.725 28.738 -0.190 0.000 0.898 965 Q HN 0.383 nan 8.270 nan 0.000 0.430 966 Q N -0.010 119.657 119.800 -0.221 0.000 2.079 966 Q HA -0.138 4.202 4.340 0.000 0.000 0.200 966 Q C 2.180 178.059 176.000 -0.201 0.000 0.974 966 Q CA 0.953 56.640 55.803 -0.192 0.000 0.840 966 Q CB 0.012 28.615 28.738 -0.224 0.000 0.898 966 Q HN 0.437 nan 8.270 nan 0.000 0.430 967 L N 0.121 121.224 121.223 -0.200 0.000 2.083 967 L HA -0.210 4.130 4.340 0.000 0.000 0.209 967 L C 2.651 179.397 176.870 -0.208 0.000 1.083 967 L CA 1.133 55.855 54.840 -0.197 0.000 0.752 967 L CB -0.351 41.627 42.059 -0.134 0.000 0.899 967 L HN 0.366 nan 8.230 nan 0.000 0.433 968 M N -0.462 119.036 119.600 -0.170 0.000 2.229 968 M HA -0.182 4.298 4.480 0.000 0.000 0.264 968 M C 1.698 177.901 176.300 -0.161 0.000 1.063 968 M CA 1.731 56.937 55.300 -0.156 0.000 1.114 968 M CB 0.139 32.660 32.600 -0.131 0.000 1.387 968 M HN 0.172 nan 8.290 nan 0.000 0.420 969 E N -0.853 119.259 120.200 -0.147 0.000 2.472 969 E HA 0.059 4.409 4.350 0.000 0.000 0.196 969 E C -0.350 176.182 176.600 -0.113 0.000 1.033 969 E CA 0.096 56.430 56.400 -0.109 0.000 0.886 969 E CB 0.542 30.195 29.700 -0.078 0.000 0.944 969 E HN 0.323 nan 8.360 nan 0.000 0.492 970 T N 0.367 114.818 114.554 -0.171 0.000 2.767 970 T HA 0.087 4.437 4.350 0.000 0.000 0.284 970 T C 1.200 175.761 174.700 -0.231 0.000 0.973 970 T CA -0.384 61.615 62.100 -0.168 0.000 0.996 970 T CB 1.683 70.436 68.868 -0.191 0.000 0.927 970 T HN 0.044 nan 8.240 nan 0.000 0.456 971 S N 2.415 118.060 115.700 -0.092 0.000 2.395 971 S HA -0.002 4.468 4.470 0.000 0.000 0.225 971 S C 0.362 174.908 174.600 -0.089 0.000 1.027 971 S CA 0.523 58.706 58.200 -0.027 0.000 0.965 971 S CB -0.313 63.047 63.200 0.267 0.000 0.812 971 S HN 0.760 nan 8.310 nan 0.000 0.482 972 H N 0.398 119.464 119.070 -0.007 0.000 2.690 972 H HA 0.564 5.120 4.556 0.000 0.000 0.368 972 H C 1.025 176.348 175.328 -0.009 0.000 1.150 972 H CA -0.718 55.399 56.048 0.114 0.000 1.174 972 H CB 1.470 31.352 29.762 0.199 0.000 1.684 972 H HN 0.193 nan 8.280 nan 0.000 0.538 973 R N 1.292 121.915 120.500 0.206 0.000 2.152 973 R HA -0.158 4.182 4.340 0.000 0.000 0.232 973 R C 1.195 177.527 176.300 0.053 0.000 1.117 973 R CA 1.817 57.969 56.100 0.086 0.000 0.981 973 R CB -0.408 29.977 30.300 0.143 0.000 0.870 973 R HN 0.775 nan 8.270 nan 0.000 0.451 974 H N 0.972 120.058 119.070 0.027 0.000 2.547 974 H HA 0.069 4.625 4.556 0.000 0.000 0.272 974 H C 1.420 176.691 175.328 -0.094 0.000 0.989 974 H CA 0.636 56.666 56.048 -0.029 0.000 1.214 974 H CB -0.024 29.724 29.762 -0.023 0.000 1.389 974 H HN 0.310 nan 8.280 nan 0.000 0.577 975 L N 0.904 121.776 121.223 -0.585 0.000 2.567 975 L HA 0.207 4.547 4.340 0.000 0.000 0.225 975 L C 0.664 177.416 176.870 -0.196 0.000 1.119 975 L CA -0.138 54.425 54.840 -0.463 0.000 0.871 975 L CB 0.131 41.901 42.059 -0.481 0.000 1.036 975 L HN 0.051 nan 8.230 nan 0.000 0.459 976 L N 1.262 122.370 121.223 -0.192 0.000 2.426 976 L HA 0.098 4.438 4.340 0.000 0.000 0.271 976 L C 0.224 177.085 176.870 -0.015 0.000 1.169 976 L CA -0.021 54.695 54.840 -0.207 0.000 0.836 976 L CB 0.277 42.044 42.059 -0.486 0.000 1.112 976 L HN 0.202 nan 8.230 nan 0.000 0.465 977 H N 2.091 121.196 119.070 0.058 0.000 2.538 977 H HA 0.582 5.138 4.556 0.000 0.000 0.353 977 H C -0.674 174.761 175.328 0.177 0.000 1.109 977 H CA -1.266 54.842 56.048 0.099 0.000 1.192 977 H CB 1.319 31.097 29.762 0.027 0.000 1.555 977 H HN 0.664 nan 8.280 nan 0.000 0.518 978 A N 3.830 126.738 122.820 0.146 0.000 2.524 978 A HA 0.079 4.399 4.320 0.000 0.000 0.250 978 A C 0.389 177.998 177.584 0.041 0.000 1.078 978 A CA -0.171 51.806 52.037 -0.101 0.000 0.761 978 A CB -0.179 18.740 19.000 -0.135 0.000 1.012 978 A HN 0.852 nan 8.150 nan 0.000 0.500 979 E N 1.118 121.316 120.200 -0.003 0.000 2.342 979 E HA 0.174 4.524 4.350 0.000 0.000 0.257 979 E C 0.014 176.644 176.600 0.050 0.000 1.150 979 E CA -0.605 55.867 56.400 0.121 0.000 0.926 979 E CB 0.704 30.534 29.700 0.218 0.000 1.074 979 E HN 0.786 nan 8.360 nan 0.000 0.449 980 E N 0.456 120.688 120.200 0.053 0.000 2.376 980 E HA 0.172 4.522 4.350 0.000 0.000 0.266 980 E C 0.320 176.881 176.600 -0.066 0.000 1.009 980 E CA 0.586 56.983 56.400 -0.005 0.000 0.902 980 E CB 0.258 29.955 29.700 -0.005 0.000 0.972 980 E HN 0.674 nan 8.360 nan 0.000 0.439 981 G N 3.364 112.126 108.800 -0.063 0.000 2.553 981 G HA2 -0.233 3.727 3.960 0.000 0.000 0.242 981 G HA3 -0.233 3.727 3.960 0.000 0.000 0.242 981 G C -0.576 174.272 174.900 -0.086 0.000 1.277 981 G CA -0.108 44.943 45.100 -0.082 0.000 0.910 981 G HN 0.619 nan 8.290 nan 0.000 0.576 982 T N 0.179 114.658 114.554 -0.126 0.000 2.937 982 T HA 0.480 4.830 4.350 0.000 0.000 0.297 982 T C -0.828 173.742 174.700 -0.216 0.000 0.991 982 T CA -0.189 61.844 62.100 -0.112 0.000 0.990 982 T CB 1.271 70.134 68.868 -0.009 0.000 0.991 982 T HN 0.574 nan 8.240 nan 0.000 0.440 983 W N 3.463 124.669 121.300 -0.156 0.000 2.345 983 W HA 0.556 5.216 4.660 0.000 0.000 0.308 983 W C -0.133 176.252 176.519 -0.223 0.000 1.273 983 W CA -0.632 56.617 57.345 -0.160 0.000 1.243 983 W CB 0.584 29.962 29.460 -0.135 0.000 1.260 983 W HN 0.392 nan 8.180 nan 0.000 0.509 984 L N 5.808 127.014 121.223 -0.028 0.000 2.313 984 L HA 0.501 4.841 4.340 0.000 0.000 0.283 984 L C -0.865 175.905 176.870 -0.167 0.000 1.013 984 L CA -0.428 54.280 54.840 -0.219 0.000 0.816 984 L CB 0.837 42.606 42.059 -0.483 0.000 1.236 984 L HN 0.303 nan 8.230 nan 0.000 0.419 985 N N 6.857 125.446 118.700 -0.185 0.000 2.479 985 N HA 0.443 5.183 4.740 0.000 0.000 0.261 985 N C -1.137 174.224 175.510 -0.247 0.000 0.979 985 N CA -0.170 52.767 53.050 -0.188 0.000 0.930 985 N CB 2.041 40.447 38.487 -0.136 0.000 1.172 985 N HN 0.570 nan 8.380 nan 0.000 0.499 986 I N 1.878 122.251 120.570 -0.329 0.000 2.355 986 I HA 0.196 4.366 4.170 0.000 0.000 0.288 986 I C -0.536 175.388 176.117 -0.321 0.000 0.999 986 I CA -0.629 60.443 61.300 -0.381 0.000 1.163 986 I CB 1.200 38.792 38.000 -0.681 0.000 1.316 986 I HN 0.142 nan 8.210 nan 0.000 0.454 987 D N 5.154 125.402 120.400 -0.253 0.000 2.256 987 D HA 0.219 4.859 4.640 0.000 0.000 0.240 987 D C 1.028 177.040 176.300 -0.481 0.000 1.062 987 D CA -0.235 53.559 54.000 -0.344 0.000 0.832 987 D CB 2.338 43.041 40.800 -0.162 0.000 1.135 987 D HN 0.687 nan 8.370 nan 0.000 0.484 988 G N 1.568 109.762 108.800 -1.010 0.000 2.422 988 G HA2 -0.099 3.861 3.960 0.000 0.000 0.218 988 G HA3 -0.099 3.861 3.960 0.000 0.000 0.218 988 G C 0.139 174.363 174.900 -1.126 0.000 1.146 988 G CA 0.733 45.119 45.100 -1.190 0.000 0.769 988 G HN 0.409 nan 8.290 nan 0.000 0.547 989 F N -2.344 117.421 119.950 -0.309 0.000 2.608 989 F HA 0.573 5.100 4.527 -0.000 0.000 0.309 989 F C -0.562 175.146 175.800 -0.154 0.000 1.103 989 F CA -1.147 56.753 58.000 -0.166 0.000 0.954 989 F CB 2.052 40.911 39.000 -0.234 0.000 1.267 989 F HN 0.027 nan 8.300 nan 0.000 0.444 990 H N 2.127 121.216 119.070 0.032 0.000 2.771 990 H HA 0.545 5.101 4.556 0.000 0.000 0.361 990 H C -0.790 174.565 175.328 0.045 0.000 1.108 990 H CA -0.890 55.147 56.048 -0.017 0.000 1.201 990 H CB 1.882 31.624 29.762 -0.034 0.000 1.681 990 H HN 0.774 nan 8.280 nan 0.000 0.534 991 M N 3.447 123.013 119.600 -0.056 0.000 2.240 991 M HA 0.303 4.783 4.480 0.000 0.000 0.333 991 M C 0.416 176.816 176.300 0.168 0.000 1.110 991 M CA 0.143 55.461 55.300 0.030 0.000 1.173 991 M CB 0.410 32.929 32.600 -0.134 0.000 1.458 991 M HN 0.835 nan 8.290 nan 0.000 0.458 992 G N 2.905 111.785 108.800 0.132 0.000 2.690 992 G HA2 0.247 4.207 3.960 0.000 0.000 0.239 992 G HA3 0.247 4.207 3.960 0.000 0.000 0.239 992 G C 0.607 175.478 174.900 -0.048 0.000 1.233 992 G CA -0.277 44.837 45.100 0.023 0.000 0.847 992 G HN 0.979 nan 8.290 nan 0.000 0.588 993 I N -1.491 119.002 120.570 -0.129 0.000 3.462 993 I HA 0.414 4.584 4.170 0.000 0.000 0.290 993 I C 1.262 177.307 176.117 -0.120 0.000 1.236 993 I CA 0.497 61.686 61.300 -0.185 0.000 1.418 993 I CB -0.527 37.257 38.000 -0.360 0.000 1.102 993 I HN 0.951 nan 8.210 nan 0.000 0.441 994 G N 1.560 110.314 108.800 -0.078 0.000 2.645 994 G HA2 0.024 3.984 3.960 0.000 0.000 0.246 994 G HA3 0.024 3.984 3.960 0.000 0.000 0.246 994 G C 0.585 175.475 174.900 -0.016 0.000 1.322 994 G CA 0.161 45.253 45.100 -0.013 0.000 0.898 994 G HN 1.440 nan 8.290 nan 0.000 0.573 995 G N -2.306 106.496 108.800 0.004 0.000 2.559 995 G HA2 0.043 4.003 3.960 0.000 0.000 0.202 995 G HA3 0.043 4.003 3.960 0.000 0.000 0.202 995 G C 0.606 175.540 174.900 0.057 0.000 0.992 995 G CA 0.923 46.026 45.100 0.006 0.000 0.764 995 G HN 0.945 nan 8.290 nan 0.000 0.525 996 D N 1.219 121.674 120.400 0.093 0.000 2.158 996 D HA 0.065 4.705 4.640 0.000 0.000 0.197 996 D C 1.123 177.428 176.300 0.009 0.000 0.995 996 D CA 2.177 56.286 54.000 0.182 0.000 0.846 996 D CB 0.157 41.074 40.800 0.195 0.000 0.941 996 D HN 0.804 nan 8.370 nan 0.000 0.456 997 D N -3.369 116.828 120.400 -0.338 0.000 2.664 997 D HA 0.365 5.005 4.640 0.000 0.000 0.292 997 D C -0.743 175.026 176.300 -0.884 0.000 1.214 997 D CA -0.716 52.669 54.000 -1.025 0.000 0.932 997 D CB 0.929 40.626 40.800 -1.839 0.000 1.420 997 D HN -0.304 nan 8.370 nan 0.000 0.471 998 S N -0.856 114.137 115.700 -1.177 0.000 2.651 998 S HA 0.240 4.710 4.470 0.000 0.000 0.246 998 S C -0.572 174.044 174.600 0.027 0.000 1.039 998 S CA -0.673 57.308 58.200 -0.364 0.000 1.013 998 S CB -0.472 62.675 63.200 -0.089 0.000 0.861 998 S HN 0.625 nan 8.310 nan 0.000 0.485 999 W N 0.735 121.991 121.300 -0.074 0.000 2.324 999 W HA 0.488 5.148 4.660 -0.000 0.000 0.316 999 W C 0.088 176.578 176.519 -0.048 0.000 0.927 999 W CA -0.335 56.984 57.345 -0.042 0.000 1.438 999 W CB -0.384 28.994 29.460 -0.136 0.000 1.085 999 W HN 0.183 nan 8.180 nan 0.000 0.532 1000 S N -0.573 115.035 115.700 -0.153 0.000 2.564 1000 S HA 0.647 5.117 4.470 0.000 0.000 0.274 1000 S C -2.992 171.554 174.600 -0.090 0.000 1.124 1000 S CA -1.808 56.344 58.200 -0.080 0.000 0.869 1000 S CB 1.749 64.924 63.200 -0.041 0.000 1.105 1000 S HN -0.249 nan 8.310 nan 0.000 0.472 1001 P HA 0.118 nan 4.420 nan 0.000 0.260 1001 P C 0.370 177.714 177.300 0.074 0.000 1.172 1001 P CA 0.178 63.298 63.100 0.033 0.000 0.760 1001 P CB 0.486 32.101 31.700 -0.141 0.000 0.773 1002 S N 0.672 116.452 115.700 0.133 0.000 2.847 1002 S HA 0.143 4.613 4.470 0.000 0.000 0.254 1002 S C 0.151 174.834 174.600 0.138 0.000 1.039 1002 S CA -0.329 57.922 58.200 0.085 0.000 1.113 1002 S CB -0.238 62.959 63.200 -0.004 0.000 1.092 1002 S HN 0.110 nan 8.310 nan 0.000 0.620 1003 V N 2.775 122.816 119.914 0.212 0.000 2.455 1003 V HA 0.393 4.513 4.120 0.000 0.000 0.273 1003 V C 0.768 177.015 176.094 0.255 0.000 1.045 1003 V CA -0.276 62.140 62.300 0.193 0.000 0.976 1003 V CB 0.982 32.861 31.823 0.093 0.000 0.993 1003 V HN 0.497 nan 8.190 nan 0.000 0.475 1004 S N 3.824 119.688 115.700 0.274 0.000 2.572 1004 S HA 0.329 4.799 4.470 0.000 0.000 0.279 1004 S C 1.539 176.274 174.600 0.225 0.000 1.341 1004 S CA 0.075 58.424 58.200 0.249 0.000 1.043 1004 S CB 1.201 64.568 63.200 0.279 0.000 0.887 1004 S HN 0.983 nan 8.310 nan 0.000 0.516 1005 A N 3.225 126.133 122.820 0.147 0.000 1.948 1005 A HA -0.151 4.169 4.320 0.000 0.000 0.220 1005 A C 2.002 179.608 177.584 0.037 0.000 1.177 1005 A CA 1.864 53.973 52.037 0.119 0.000 0.636 1005 A CB -0.610 18.441 19.000 0.085 0.000 0.815 1005 A HN 0.943 nan 8.150 nan 0.000 0.449 1006 E N -0.944 119.210 120.200 -0.077 0.000 2.418 1006 E HA -0.100 4.250 4.350 0.000 0.000 0.197 1006 E C 0.760 177.126 176.600 -0.391 0.000 1.026 1006 E CA 0.687 56.925 56.400 -0.270 0.000 0.862 1006 E CB -0.412 29.038 29.700 -0.417 0.000 0.799 1006 E HN 0.692 nan 8.360 nan 0.000 0.518 1007 F N 1.108 121.105 119.950 0.079 0.000 2.653 1007 F HA 0.277 4.804 4.527 -0.000 0.000 0.304 1007 F C 0.829 176.660 175.800 0.053 0.000 1.092 1007 F CA -0.541 57.505 58.000 0.078 0.000 1.279 1007 F CB 0.586 39.633 39.000 0.079 0.000 1.044 1007 F HN -0.195 nan 8.300 nan 0.000 0.564 1008 Q N 1.259 121.160 119.800 0.168 0.000 2.235 1008 Q HA 0.405 4.745 4.340 0.000 0.000 0.250 1008 Q C -0.270 175.748 176.000 0.030 0.000 0.909 1008 Q CA -0.528 55.342 55.803 0.113 0.000 0.910 1008 Q CB 1.960 30.838 28.738 0.234 0.000 1.223 1008 Q HN 0.257 nan 8.270 nan 0.000 0.432 1009 L N 2.554 123.783 121.223 0.011 0.000 2.387 1009 L HA 0.101 4.441 4.340 0.000 0.000 0.267 1009 L C 0.609 177.443 176.870 -0.061 0.000 1.197 1009 L CA -0.008 54.827 54.840 -0.008 0.000 1.070 1009 L CB -0.269 41.688 42.059 -0.171 0.000 1.349 1009 L HN 0.712 nan 8.230 nan 0.000 0.422 1010 S N -0.967 114.625 115.700 -0.179 0.000 2.603 1010 S HA 0.156 4.626 4.470 0.000 0.000 0.232 1010 S C 1.600 176.142 174.600 -0.097 0.000 1.016 1010 S CA 0.186 58.109 58.200 -0.462 0.000 0.976 1010 S CB 0.781 63.550 63.200 -0.719 0.000 0.921 1010 S HN 0.500 nan 8.310 nan 0.000 0.516 1011 A N 1.579 124.374 122.820 -0.043 0.000 2.067 1011 A HA 0.450 4.770 4.320 0.000 0.000 0.219 1011 A C 2.123 179.587 177.584 -0.199 0.000 1.158 1011 A CA 1.360 53.235 52.037 -0.270 0.000 0.661 1011 A CB -1.273 17.294 19.000 -0.721 0.000 0.801 1011 A HN 1.509 nan 8.150 nan 0.000 0.452 1012 G N -1.287 107.512 108.800 -0.001 0.000 2.640 1012 G HA2 -0.298 3.662 3.960 0.000 0.000 0.226 1012 G HA3 -0.298 3.662 3.960 0.000 0.000 0.226 1012 G C 0.465 175.407 174.900 0.070 0.000 1.222 1012 G CA 0.411 45.555 45.100 0.074 0.000 0.729 1012 G HN 0.684 nan 8.290 nan 0.000 0.516 1013 R N -0.267 120.165 120.500 -0.114 0.000 2.480 1013 R HA 0.671 5.011 4.340 0.000 0.000 0.306 1013 R C -1.488 174.650 176.300 -0.270 0.000 0.958 1013 R CA -0.562 55.507 56.100 -0.052 0.000 0.861 1013 R CB 1.410 31.697 30.300 -0.021 0.000 1.171 1013 R HN 0.262 nan 8.270 nan 0.000 0.445 1014 Y N 0.434 120.750 120.300 0.027 0.000 2.462 1014 Y HA 0.344 4.894 4.550 0.000 0.000 0.346 1014 Y C -0.306 175.765 175.900 0.284 0.000 0.976 1014 Y CA -0.817 57.281 58.100 -0.005 0.000 1.044 1014 Y CB 2.094 40.421 38.460 -0.222 0.000 1.230 1014 Y HN 0.567 nan 8.280 nan 0.000 0.455 1015 H N 2.890 122.251 119.070 0.486 0.000 2.667 1015 H HA 0.579 5.135 4.556 0.000 0.000 0.353 1015 H C -1.742 173.969 175.328 0.638 0.000 1.072 1015 H CA -0.863 55.446 56.048 0.435 0.000 1.214 1015 H CB 1.053 30.959 29.762 0.240 0.000 1.600 1015 H HN 0.586 nan 8.280 nan 0.000 0.527 1016 Y N 1.850 121.987 120.300 -0.272 0.000 2.597 1016 Y HA 0.469 5.019 4.550 0.000 0.000 0.340 1016 Y C -1.891 173.787 175.900 -0.370 0.000 1.097 1016 Y CA -1.142 56.815 58.100 -0.239 0.000 1.037 1016 Y CB 1.471 39.878 38.460 -0.089 0.000 1.305 1016 Y HN 0.727 nan 8.280 nan 0.000 0.463 1017 Q N 2.930 122.683 119.800 -0.079 0.000 2.345 1017 Q HA 0.784 5.124 4.340 0.000 0.000 0.275 1017 Q C -2.107 173.956 176.000 0.104 0.000 1.063 1017 Q CA -1.054 54.707 55.803 -0.071 0.000 0.819 1017 Q CB 3.262 31.999 28.738 -0.002 0.000 1.356 1017 Q HN 0.848 nan 8.270 nan 0.000 0.418 1018 L N 1.119 122.391 121.223 0.082 0.000 2.371 1018 L HA 0.754 5.094 4.340 0.000 0.000 0.262 1018 L C -0.936 176.036 176.870 0.170 0.000 1.006 1018 L CA -1.334 53.596 54.840 0.151 0.000 0.818 1018 L CB 2.599 44.730 42.059 0.120 0.000 1.354 1018 L HN 0.467 nan 8.230 nan 0.000 0.415 1019 V N 0.729 120.770 119.914 0.212 0.000 2.444 1019 V HA 0.382 4.502 4.120 0.000 0.000 0.294 1019 V C -1.249 175.010 176.094 0.275 0.000 1.022 1019 V CA -0.435 61.995 62.300 0.218 0.000 0.850 1019 V CB 2.016 33.940 31.823 0.168 0.000 0.992 1019 V HN 0.596 nan 8.190 nan 0.000 0.426 1020 W N 7.017 128.374 121.300 0.095 0.000 2.475 1020 W HA 0.726 5.386 4.660 0.000 0.000 0.317 1020 W C -0.226 176.303 176.519 0.018 0.000 1.046 1020 W CA -1.082 56.264 57.345 0.001 0.000 1.215 1020 W CB 1.454 30.977 29.460 0.104 0.000 1.335 1020 W HN 0.883 nan 8.180 nan 0.000 0.471 1021 C N 3.188 122.743 119.300 0.425 0.000 3.316 1021 C HA 0.637 5.097 4.460 0.000 0.000 0.360 1021 C C -0.564 174.551 174.990 0.208 0.000 1.560 1021 C CA -0.948 58.246 59.018 0.292 0.000 1.229 1021 C CB 1.520 29.365 27.740 0.175 0.000 1.823 1021 C HN 0.680 nan 8.230 nan 0.000 0.440 1022 Q N 1.427 121.302 119.800 0.126 0.000 2.256 1022 Q HA 0.392 4.732 4.340 0.000 0.000 0.254 1022 Q C 0.019 176.020 176.000 0.002 0.000 0.916 1022 Q CA -0.191 55.628 55.803 0.026 0.000 0.932 1022 Q CB 1.021 29.758 28.738 -0.002 0.000 1.207 1022 Q HN 0.720 nan 8.270 nan 0.000 0.426 1023 K N 0.000 120.376 120.400 -0.040 0.000 2.780 1023 K HA 0.000 4.320 4.320 0.000 0.000 0.191 1023 K CA 0.000 56.271 56.287 -0.027 0.000 0.838 1023 K CB 0.000 32.476 32.500 -0.039 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543