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 3dyp_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 ANIETNGMVP 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 0.000 176.086 176.300 -0.357 0.000 0.893 13 R CA 0.000 55.966 56.100 -0.223 0.000 0.921 13 R CB 0.000 30.170 30.300 -0.216 0.000 0.687 14 R N 1.207 121.359 120.500 -0.581 0.000 3.225 14 R HA -0.187 4.169 4.340 0.027 0.000 0.245 14 R C -0.358 175.379 176.300 -0.939 0.000 0.928 14 R CA 0.836 56.178 56.100 -1.264 0.000 0.632 14 R CB -1.119 28.623 30.300 -0.931 0.000 1.038 14 R HN 0.310 nan 8.270 nan 0.000 0.461 15 D N -0.163 119.874 120.400 -0.606 0.000 2.265 15 D HA -0.182 4.474 4.640 0.027 0.000 0.208 15 D C 1.585 177.782 176.300 -0.171 0.000 0.977 15 D CA 1.652 55.400 54.000 -0.421 0.000 0.871 15 D CB -0.140 40.232 40.800 -0.714 0.000 0.925 15 D HN 0.733 nan 8.370 nan 0.000 0.485 16 W N 1.101 122.422 121.300 0.037 0.000 3.292 16 W HA 0.214 4.890 4.660 0.027 0.000 0.263 16 W C 0.479 177.095 176.519 0.161 0.000 1.318 16 W CA -0.277 57.193 57.345 0.209 0.000 1.663 16 W CB -0.258 29.374 29.460 0.286 0.000 1.114 16 W HN -0.189 nan 8.180 nan 0.000 0.706 17 E N 1.251 121.303 120.200 -0.246 0.000 3.157 17 E HA 0.056 4.422 4.350 0.027 0.000 0.203 17 E C -0.727 175.723 176.600 -0.251 0.000 0.982 17 E CA -0.207 56.089 56.400 -0.174 0.000 1.217 17 E CB -0.192 29.404 29.700 -0.173 0.000 1.123 17 E HN 0.030 nan 8.360 nan 0.000 0.457 18 N N 1.041 119.624 118.700 -0.195 0.000 2.629 18 N HA 0.116 4.872 4.740 0.027 0.000 0.277 18 N C -2.438 172.918 175.510 -0.257 0.000 1.188 18 N CA -1.765 51.131 53.050 -0.256 0.000 0.835 18 N CB 1.485 39.835 38.487 -0.229 0.000 1.420 18 N HN -0.169 nan 8.380 nan 0.000 0.542 19 P HA 0.092 nan 4.420 nan 0.000 0.234 19 P C 1.057 178.114 177.300 -0.406 0.000 1.167 19 P CA 0.486 63.247 63.100 -0.565 0.000 0.763 19 P CB 0.101 30.962 31.700 -1.397 0.000 0.835 20 G N -0.364 108.243 108.800 -0.322 0.000 2.712 20 G HA2 0.050 4.027 3.960 0.027 0.000 0.212 20 G HA3 0.050 4.027 3.960 0.027 0.000 0.212 20 G C 0.311 175.129 174.900 -0.136 0.000 1.142 20 G CA 0.203 45.169 45.100 -0.223 0.000 0.789 20 G HN 0.217 nan 8.290 nan 0.000 0.535 21 V N 1.632 121.480 119.914 -0.109 0.000 2.325 21 V HA 0.283 4.419 4.120 0.027 0.000 0.280 21 V C 0.754 176.902 176.094 0.090 0.000 1.016 21 V CA 0.068 62.357 62.300 -0.019 0.000 0.818 21 V CB 1.210 33.004 31.823 -0.050 0.000 1.019 21 V HN 0.315 nan 8.190 nan 0.000 0.434 22 T N 0.560 115.161 114.554 0.079 0.000 3.054 22 T HA 0.377 4.743 4.350 0.027 0.000 0.255 22 T C 0.237 174.988 174.700 0.084 0.000 1.035 22 T CA 0.050 62.206 62.100 0.093 0.000 0.941 22 T CB 0.256 69.130 68.868 0.010 0.000 1.026 22 T HN 0.697 nan 8.240 nan 0.000 0.533 23 Q N 0.195 120.091 119.800 0.161 0.000 2.776 23 Q HA 0.675 5.032 4.340 0.027 0.000 0.289 23 Q C -2.269 173.868 176.000 0.229 0.000 0.912 23 Q CA -1.076 54.816 55.803 0.148 0.000 0.789 23 Q CB 0.892 29.638 28.738 0.013 0.000 1.498 23 Q HN 0.210 nan 8.270 nan 0.000 0.408 24 L N 1.772 123.154 121.223 0.265 0.000 2.470 24 L HA 0.591 4.947 4.340 0.027 0.000 0.268 24 L C -0.647 176.347 176.870 0.207 0.000 0.964 24 L CA -0.886 54.112 54.840 0.264 0.000 0.839 24 L CB 1.953 44.282 42.059 0.450 0.000 1.276 24 L HN 0.868 nan 8.230 nan 0.000 0.403 25 N N 0.857 119.651 118.700 0.156 0.000 2.753 25 N HA -0.207 4.549 4.740 0.027 0.000 0.251 25 N C 0.168 175.775 175.510 0.161 0.000 1.097 25 N CA 0.842 53.976 53.050 0.138 0.000 0.786 25 N CB -0.798 37.721 38.487 0.055 0.000 1.137 25 N HN 0.661 nan 8.380 nan 0.000 0.566 26 R N 0.790 121.311 120.500 0.034 0.000 2.490 26 R HA 0.449 4.805 4.340 0.027 0.000 0.278 26 R C 0.461 176.627 176.300 -0.224 0.000 1.069 26 R CA -0.379 55.525 56.100 -0.327 0.000 1.080 26 R CB 0.582 30.685 30.300 -0.328 0.000 1.030 26 R HN 0.118 nan 8.270 nan 0.000 0.491 27 L N 2.772 123.823 121.223 -0.288 0.000 2.439 27 L HA 0.369 4.726 4.340 0.027 0.000 0.261 27 L C 0.617 177.434 176.870 -0.089 0.000 1.153 27 L CA -0.715 54.055 54.840 -0.117 0.000 0.808 27 L CB 0.989 43.011 42.059 -0.062 0.000 1.126 27 L HN 0.777 nan 8.230 nan 0.000 0.460 28 A N 1.291 124.101 122.820 -0.017 0.000 2.507 28 A HA 0.454 4.791 4.320 0.027 0.000 0.235 28 A C 0.329 177.912 177.584 -0.001 0.000 1.070 28 A CA 0.135 52.169 52.037 -0.004 0.000 0.768 28 A CB 0.079 19.104 19.000 0.040 0.000 1.011 28 A HN 0.803 nan 8.150 nan 0.000 0.502 29 A N 1.119 123.894 122.820 -0.074 0.000 2.313 29 A HA 0.718 5.054 4.320 0.027 0.000 0.261 29 A C 0.064 177.551 177.584 -0.162 0.000 1.090 29 A CA 0.464 52.381 52.037 -0.200 0.000 0.807 29 A CB 0.027 18.914 19.000 -0.189 0.000 1.055 29 A HN 2.073 nan 8.150 nan 0.000 0.492 30 H N -2.740 116.177 119.070 -0.255 0.000 2.935 30 H HA 0.584 5.156 4.556 0.027 0.000 0.297 30 H C -3.457 171.579 175.328 -0.487 0.000 1.423 30 H CA -1.632 54.195 56.048 -0.368 0.000 1.161 30 H CB -0.019 29.410 29.762 -0.556 0.000 1.841 30 H HN 0.386 nan 8.280 nan 0.000 0.506 31 P HA 0.230 nan 4.420 nan 0.000 0.274 31 P C -2.588 174.560 177.300 -0.254 0.000 1.256 31 P CA -1.464 61.434 63.100 -0.335 0.000 0.795 31 P CB -0.227 31.187 31.700 -0.476 0.000 1.038 32 P HA 0.025 nan 4.420 nan 0.000 0.260 32 P C -0.767 176.722 177.300 0.316 0.000 1.185 32 P CA 1.209 64.352 63.100 0.072 0.000 0.763 32 P CB -0.210 31.567 31.700 0.128 0.000 0.776 33 F N 1.510 121.568 119.950 0.180 0.000 2.575 33 F HA 0.619 5.162 4.527 0.027 0.000 0.330 33 F C 1.051 176.790 175.800 -0.101 0.000 1.056 33 F CA -1.012 57.035 58.000 0.077 0.000 0.964 33 F CB 2.098 41.090 39.000 -0.013 0.000 1.258 33 F HN 0.200 nan 8.300 nan 0.000 0.484 34 A N 0.145 122.901 122.820 -0.107 0.000 2.664 34 A HA 0.230 4.567 4.320 0.027 0.000 0.222 34 A C 0.561 177.860 177.584 -0.475 0.000 1.320 34 A CA 0.437 52.181 52.037 -0.488 0.000 1.029 34 A CB -0.143 18.094 19.000 -1.271 0.000 1.318 34 A HN 0.745 nan 8.150 nan 0.000 0.589 35 S N 0.559 116.083 115.700 -0.294 0.000 3.524 35 S HA -0.150 4.336 4.470 0.027 0.000 0.377 35 S C 0.001 174.527 174.600 -0.123 0.000 0.949 35 S CA 0.431 58.515 58.200 -0.194 0.000 1.264 35 S CB -1.573 61.516 63.200 -0.185 0.000 0.918 35 S HN 0.461 nan 8.310 nan 0.000 0.517 36 W N 1.925 123.204 121.300 -0.035 0.000 2.170 36 W HA 0.205 4.881 4.660 0.026 0.000 0.342 36 W C 1.378 177.875 176.519 -0.037 0.000 1.294 36 W CA -0.501 56.830 57.345 -0.025 0.000 1.246 36 W CB 0.234 29.679 29.460 -0.025 0.000 1.156 36 W HN 0.368 nan 8.180 nan 0.000 0.572 37 R N 1.843 122.471 120.500 0.214 0.000 2.509 37 R HA 0.077 4.433 4.340 0.027 0.000 0.300 37 R C -0.017 176.339 176.300 0.094 0.000 0.985 37 R CA -0.091 56.074 56.100 0.108 0.000 1.092 37 R CB -0.121 30.211 30.300 0.053 0.000 1.237 37 R HN 0.371 nan 8.270 nan 0.000 0.546 38 N N 0.176 118.947 118.700 0.119 0.000 2.430 38 N HA 0.114 4.870 4.740 0.027 0.000 0.290 38 N C -0.171 175.314 175.510 -0.041 0.000 1.063 38 N CA -0.007 53.063 53.050 0.034 0.000 0.883 38 N CB 1.845 40.354 38.487 0.037 0.000 1.465 38 N HN -0.254 nan 8.380 nan 0.000 0.493 39 S N 2.383 118.036 115.700 -0.078 0.000 2.402 39 S HA -0.150 4.336 4.470 0.027 0.000 0.229 39 S C 1.415 175.846 174.600 -0.283 0.000 1.021 39 S CA 0.997 59.106 58.200 -0.152 0.000 0.974 39 S CB -0.002 63.140 63.200 -0.096 0.000 0.800 39 S HN 0.767 nan 8.310 nan 0.000 0.484 40 E N 1.863 121.918 120.200 -0.241 0.000 2.106 40 E HA -0.155 4.211 4.350 0.027 0.000 0.192 40 E C 1.724 178.093 176.600 -0.384 0.000 0.984 40 E CA 1.334 57.550 56.400 -0.307 0.000 0.806 40 E CB -0.219 29.358 29.700 -0.205 0.000 0.750 40 E HN 0.590 nan 8.360 nan 0.000 0.458 41 E N -0.146 119.833 120.200 -0.368 0.000 2.110 41 E HA -0.151 4.215 4.350 0.027 0.000 0.193 41 E C 2.025 177.985 176.600 -1.067 0.000 0.988 41 E CA 0.964 57.078 56.400 -0.477 0.000 0.804 41 E CB -0.205 29.357 29.700 -0.229 0.000 0.745 41 E HN 0.406 nan 8.360 nan 0.000 0.458 42 A N 1.548 123.531 122.820 -1.395 0.000 1.933 42 A HA -0.199 4.137 4.320 0.027 0.000 0.218 42 A C 2.098 179.057 177.584 -1.042 0.000 1.175 42 A CA 1.399 52.266 52.037 -1.950 0.000 0.628 42 A CB -0.424 18.013 19.000 -0.938 0.000 0.814 42 A HN 0.084 nan 8.150 nan 0.000 0.444 43 R N -0.116 119.960 120.500 -0.706 0.000 2.081 43 R HA -0.129 4.228 4.340 0.027 0.000 0.235 43 R C 1.775 177.803 176.300 -0.454 0.000 1.131 43 R CA 2.055 57.799 56.100 -0.594 0.000 0.960 43 R CB -0.406 29.406 30.300 -0.813 0.000 0.856 43 R HN 0.598 nan 8.270 nan 0.000 0.436 44 T N -2.645 111.657 114.554 -0.421 0.000 3.122 44 T HA 0.082 4.448 4.350 0.027 0.000 0.250 44 T C 0.115 174.720 174.700 -0.158 0.000 1.067 44 T CA 0.355 62.304 62.100 -0.252 0.000 0.966 44 T CB 0.144 68.893 68.868 -0.198 0.000 1.002 44 T HN 0.338 nan 8.240 nan 0.000 0.542 45 D N 0.898 121.162 120.400 -0.226 0.000 2.800 45 D HA -0.153 4.503 4.640 0.027 0.000 0.232 45 D C -0.010 176.415 176.300 0.208 0.000 1.137 45 D CA 0.409 54.443 54.000 0.057 0.000 0.718 45 D CB -1.216 39.662 40.800 0.129 0.000 1.084 45 D HN 0.581 nan 8.370 nan 0.000 0.432 46 R N 0.143 120.733 120.500 0.150 0.000 2.577 46 R HA 0.547 4.903 4.340 0.027 0.000 0.269 46 R C -2.071 174.484 176.300 0.426 0.000 1.084 46 R CA -1.405 54.826 56.100 0.218 0.000 1.163 46 R CB 0.327 30.692 30.300 0.110 0.000 1.100 46 R HN 0.043 nan 8.270 nan 0.000 0.547 47 P HA -0.066 nan 4.420 nan 0.000 0.266 47 P C -0.883 176.575 177.300 0.264 0.000 1.193 47 P CA 0.333 63.570 63.100 0.228 0.000 0.770 47 P CB 0.744 32.530 31.700 0.144 0.000 0.836 48 S N 1.714 117.455 115.700 0.067 0.000 2.451 48 S HA 0.120 4.606 4.470 0.027 0.000 0.301 48 S C 1.002 175.613 174.600 0.019 0.000 1.116 48 S CA -0.566 57.598 58.200 -0.060 0.000 1.093 48 S CB 0.474 63.301 63.200 -0.622 0.000 1.017 48 S HN 0.268 nan 8.310 nan 0.000 0.482 49 Q N 2.725 122.575 119.800 0.083 0.000 2.364 49 Q HA -0.094 4.263 4.340 0.027 0.000 0.209 49 Q C 0.941 177.065 176.000 0.206 0.000 0.977 49 Q CA 1.230 57.116 55.803 0.139 0.000 0.885 49 Q CB -0.048 28.772 28.738 0.138 0.000 0.941 49 Q HN 0.718 nan 8.270 nan 0.000 0.464 50 Q N -0.185 119.652 119.800 0.062 0.000 2.451 50 Q HA 0.074 4.430 4.340 0.027 0.000 0.206 50 Q C -0.073 175.980 176.000 0.089 0.000 0.947 50 Q CA 0.228 56.013 55.803 -0.030 0.000 0.937 50 Q CB 0.359 28.985 28.738 -0.186 0.000 1.025 50 Q HN 0.065 nan 8.270 nan 0.000 0.511 51 L N 0.807 122.088 121.223 0.097 0.000 2.353 51 L HA 0.423 4.779 4.340 0.027 0.000 0.270 51 L C -1.166 175.787 176.870 0.138 0.000 1.003 51 L CA -0.331 54.567 54.840 0.097 0.000 0.862 51 L CB 0.898 42.925 42.059 -0.053 0.000 1.221 51 L HN -0.134 nan 8.230 nan 0.000 0.430 52 R N 2.466 123.084 120.500 0.198 0.000 2.604 52 R HA 0.601 4.957 4.340 0.027 0.000 0.287 52 R C -0.496 175.825 176.300 0.036 0.000 0.970 52 R CA -0.706 55.454 56.100 0.100 0.000 0.946 52 R CB 1.969 32.288 30.300 0.032 0.000 1.127 52 R HN 0.637 nan 8.270 nan 0.000 0.473 53 S N 2.004 117.716 115.700 0.019 0.000 2.525 53 S HA 0.288 4.775 4.470 0.027 0.000 0.278 53 S C 0.606 175.202 174.600 -0.006 0.000 1.234 53 S CA -0.659 57.544 58.200 0.006 0.000 1.058 53 S CB 0.571 63.786 63.200 0.025 0.000 0.983 53 S HN 0.570 nan 8.310 nan 0.000 0.495 54 L N 3.467 124.686 121.223 -0.007 0.000 2.728 54 L HA 0.286 4.642 4.340 0.027 0.000 0.238 54 L C 0.243 177.256 176.870 0.238 0.000 1.143 54 L CA -0.319 54.533 54.840 0.020 0.000 0.937 54 L CB -0.257 41.746 42.059 -0.093 0.000 1.225 54 L HN 0.528 nan 8.230 nan 0.000 0.507 55 N N 1.068 119.859 118.700 0.152 0.000 2.381 55 N HA 0.423 5.179 4.740 0.027 0.000 0.241 55 N C 0.703 176.351 175.510 0.231 0.000 1.279 55 N CA 1.147 54.301 53.050 0.173 0.000 0.896 55 N CB 0.977 39.498 38.487 0.056 0.000 1.118 55 N HN 0.286 nan 8.380 nan 0.000 0.438 56 G N 0.175 109.122 108.800 0.244 0.000 2.225 56 G HA2 -0.102 3.875 3.960 0.027 0.000 0.203 56 G HA3 -0.102 3.875 3.960 0.027 0.000 0.203 56 G C -1.520 173.593 174.900 0.356 0.000 1.335 56 G CA -0.774 44.462 45.100 0.226 0.000 1.183 56 G HN 0.493 nan 8.290 nan 0.000 0.488 57 E N 0.018 120.397 120.200 0.298 0.000 2.229 57 E HA 0.504 4.871 4.350 0.027 0.000 0.283 57 E C -0.940 175.918 176.600 0.430 0.000 1.030 57 E CA -0.244 56.354 56.400 0.330 0.000 0.836 57 E CB 1.111 30.921 29.700 0.183 0.000 1.068 57 E HN 0.381 nan 8.360 nan 0.000 0.401 58 W N 1.524 122.916 121.300 0.155 0.000 2.894 58 W HA 0.421 5.098 4.660 0.027 0.000 0.345 58 W C 0.075 176.728 176.519 0.223 0.000 1.152 58 W CA -0.777 56.691 57.345 0.205 0.000 1.089 58 W CB 0.773 30.414 29.460 0.302 0.000 1.454 58 W HN 0.183 nan 8.180 nan 0.000 0.589 59 R N 1.430 122.229 120.500 0.498 0.000 2.474 59 R HA 0.596 4.952 4.340 0.027 0.000 0.295 59 R C -1.503 175.063 176.300 0.444 0.000 0.980 59 R CA -0.864 55.462 56.100 0.376 0.000 0.934 59 R CB 1.224 31.687 30.300 0.270 0.000 1.101 59 R HN 0.479 nan 8.270 nan 0.000 0.469 60 F N 0.482 120.484 119.950 0.086 0.000 2.596 60 F HA 0.612 5.155 4.527 0.027 0.000 0.311 60 F C -1.543 174.100 175.800 -0.261 0.000 1.116 60 F CA -0.576 57.327 58.000 -0.161 0.000 0.957 60 F CB 1.934 40.740 39.000 -0.323 0.000 1.250 60 F HN 0.622 nan 8.300 nan 0.000 0.444 61 A N 4.520 126.598 122.820 -1.237 0.000 2.449 61 A HA 0.620 4.956 4.320 0.027 0.000 0.302 61 A C -2.375 174.246 177.584 -1.604 0.000 1.048 61 A CA -0.560 50.831 52.037 -1.076 0.000 0.708 61 A CB 0.857 19.497 19.000 -0.600 0.000 1.274 61 A HN 0.941 nan 8.150 nan 0.000 0.410 62 W N 2.302 122.730 121.300 -1.453 0.000 2.551 62 W HA 0.754 5.431 4.660 0.027 0.000 0.330 62 W C -1.785 174.043 176.519 -1.152 0.000 1.063 62 W CA -0.370 56.253 57.345 -1.203 0.000 1.222 62 W CB 1.125 30.177 29.460 -0.681 0.000 1.349 62 W HN 0.506 nan 8.180 nan 0.000 0.536 63 F N 5.549 124.804 119.950 -1.157 0.000 2.613 63 F HA 0.384 4.927 4.527 0.027 0.000 0.314 63 F C -1.344 173.567 175.800 -1.481 0.000 1.075 63 F CA -2.072 55.373 58.000 -0.925 0.000 0.945 63 F CB 2.009 40.624 39.000 -0.642 0.000 1.310 63 F HN 0.192 nan 8.300 nan 0.000 0.467 64 P HA 0.163 nan 4.420 nan 0.000 0.235 64 P C -0.436 176.724 177.300 -0.233 0.000 1.177 64 P CA 0.712 63.527 63.100 -0.475 0.000 0.785 64 P CB 0.846 32.558 31.700 0.021 0.000 0.885 65 A N -0.180 122.513 122.820 -0.211 0.000 2.605 65 A HA 0.520 4.856 4.320 0.027 0.000 0.294 65 A C -2.414 175.056 177.584 -0.190 0.000 1.062 65 A CA -1.041 50.918 52.037 -0.130 0.000 0.682 65 A CB 0.537 19.527 19.000 -0.018 0.000 1.278 65 A HN -0.298 nan 8.150 nan 0.000 0.410 66 P HA -0.138 nan 4.420 nan 0.000 0.218 66 P C 0.736 177.935 177.300 -0.169 0.000 1.148 66 P CA 1.508 64.470 63.100 -0.230 0.000 0.822 66 P CB 0.259 31.787 31.700 -0.286 0.000 0.784 67 E N -0.034 120.121 120.200 -0.075 0.000 2.333 67 E HA -0.053 4.313 4.350 0.027 0.000 0.198 67 E C 1.972 178.492 176.600 -0.133 0.000 1.007 67 E CA 1.187 57.554 56.400 -0.056 0.000 0.845 67 E CB -0.768 28.935 29.700 0.006 0.000 0.766 67 E HN 0.250 nan 8.360 nan 0.000 0.507 68 A N 0.212 122.913 122.820 -0.200 0.000 2.275 68 A HA 0.131 4.467 4.320 0.027 0.000 0.212 68 A C 0.587 177.824 177.584 -0.577 0.000 1.201 68 A CA -0.198 51.695 52.037 -0.239 0.000 0.843 68 A CB 0.348 19.299 19.000 -0.083 0.000 0.873 68 A HN 0.025 nan 8.150 nan 0.000 0.492 69 V N 2.845 122.326 119.914 -0.722 0.000 2.508 69 V HA 0.210 4.346 4.120 0.027 0.000 0.281 69 V C -2.150 173.580 176.094 -0.607 0.000 1.041 69 V CA -1.446 60.187 62.300 -1.111 0.000 1.016 69 V CB 0.646 31.898 31.823 -0.951 0.000 0.984 69 V HN 0.315 nan 8.190 nan 0.000 0.478 70 P HA 0.247 nan 4.420 nan 0.000 0.276 70 P C 0.406 177.631 177.300 -0.125 0.000 1.230 70 P CA -0.321 62.638 63.100 -0.235 0.000 0.776 70 P CB 1.135 32.753 31.700 -0.135 0.000 0.888 71 E N 1.225 121.374 120.200 -0.086 0.000 2.160 71 E HA -0.193 4.174 4.350 0.027 0.000 0.195 71 E C 1.952 178.531 176.600 -0.034 0.000 0.991 71 E CA 1.833 58.195 56.400 -0.062 0.000 0.810 71 E CB -0.418 29.249 29.700 -0.054 0.000 0.742 71 E HN 0.569 nan 8.360 nan 0.000 0.466 72 S N -0.361 115.334 115.700 -0.008 0.000 2.402 72 S HA -0.248 4.238 4.470 0.027 0.000 0.233 72 S C 1.867 176.494 174.600 0.045 0.000 1.030 72 S CA 1.138 59.345 58.200 0.011 0.000 1.003 72 S CB -0.751 62.463 63.200 0.023 0.000 0.813 72 S HN 0.595 nan 8.310 nan 0.000 0.477 73 W N 2.103 123.309 121.300 -0.157 0.000 2.392 73 W HA 0.087 4.763 4.660 0.027 0.000 0.279 73 W C 1.727 178.132 176.519 -0.189 0.000 1.225 73 W CA 0.895 58.147 57.345 -0.155 0.000 1.233 73 W CB -0.353 28.985 29.460 -0.203 0.000 1.122 73 W HN 0.288 nan 8.180 nan 0.000 0.561 74 L N 0.200 121.244 121.223 -0.298 0.000 2.083 74 L HA -0.184 4.172 4.340 0.027 0.000 0.209 74 L C 2.109 178.742 176.870 -0.395 0.000 1.083 74 L CA 1.811 56.292 54.840 -0.599 0.000 0.752 74 L CB -0.644 41.094 42.059 -0.535 0.000 0.899 74 L HN -0.063 nan 8.230 nan 0.000 0.433 75 E N -2.051 118.016 120.200 -0.223 0.000 2.431 75 E HA 0.041 4.408 4.350 0.027 0.000 0.200 75 E C -0.185 176.344 176.600 -0.119 0.000 0.995 75 E CA -0.029 56.287 56.400 -0.141 0.000 0.915 75 E CB 0.757 30.411 29.700 -0.076 0.000 0.930 75 E HN 0.316 nan 8.360 nan 0.000 0.496 76 C N -0.031 119.200 119.300 -0.114 0.000 2.985 76 C HA 0.378 4.854 4.460 0.027 0.000 0.314 76 C C -1.028 173.950 174.990 -0.020 0.000 1.215 76 C CA -1.175 57.807 59.018 -0.059 0.000 1.414 76 C CB 1.047 28.773 27.740 -0.023 0.000 1.842 76 C HN 0.294 nan 8.230 nan 0.000 0.477 77 D N 2.105 122.511 120.400 0.009 0.000 2.506 77 D HA 0.239 4.895 4.640 0.027 0.000 0.234 77 D C -0.348 176.029 176.300 0.128 0.000 1.143 77 D CA 0.570 54.619 54.000 0.081 0.000 0.871 77 D CB 0.582 41.421 40.800 0.066 0.000 1.190 77 D HN 0.537 nan 8.370 nan 0.000 0.459 78 L N 5.588 126.934 121.223 0.204 0.000 2.319 78 L HA 0.248 4.604 4.340 0.027 0.000 0.280 78 L C -1.313 175.621 176.870 0.105 0.000 1.099 78 L CA -1.494 53.442 54.840 0.161 0.000 0.828 78 L CB 1.274 43.436 42.059 0.173 0.000 1.150 78 L HN 0.500 nan 8.230 nan 0.000 0.442 79 P HA -0.154 nan 4.420 nan 0.000 0.218 79 P C 0.716 178.047 177.300 0.053 0.000 1.149 79 P CA 1.036 64.171 63.100 0.058 0.000 0.817 79 P CB 0.245 31.971 31.700 0.045 0.000 0.785 80 E N -0.193 120.035 120.200 0.047 0.000 2.418 80 E HA 0.101 4.467 4.350 0.027 0.000 0.197 80 E C 1.033 177.649 176.600 0.027 0.000 1.026 80 E CA 0.218 56.636 56.400 0.029 0.000 0.862 80 E CB -0.872 28.832 29.700 0.008 0.000 0.799 80 E HN 0.190 nan 8.360 nan 0.000 0.518 81 A N 1.347 124.193 122.820 0.043 0.000 2.448 81 A HA 0.093 4.429 4.320 0.027 0.000 0.239 81 A C 0.063 177.704 177.584 0.095 0.000 1.080 81 A CA -0.098 51.967 52.037 0.046 0.000 0.779 81 A CB 0.274 19.327 19.000 0.088 0.000 1.026 81 A HN -0.021 nan 8.150 nan 0.000 0.499 82 D N -0.412 120.078 120.400 0.149 0.000 2.384 82 D HA 0.499 5.155 4.640 0.027 0.000 0.250 82 D C -0.514 175.901 176.300 0.192 0.000 1.029 82 D CA -0.002 54.101 54.000 0.172 0.000 0.990 82 D CB 1.270 42.214 40.800 0.240 0.000 1.175 82 D HN 0.416 nan 8.370 nan 0.000 0.532 83 T N 0.475 115.122 114.554 0.156 0.000 2.767 83 T HA 0.513 4.879 4.350 0.027 0.000 0.288 83 T C 0.136 174.928 174.700 0.154 0.000 0.963 83 T CA -0.531 61.670 62.100 0.169 0.000 1.019 83 T CB 0.773 69.716 68.868 0.124 0.000 0.923 83 T HN 0.274 nan 8.240 nan 0.000 0.468 84 V N 0.996 121.032 119.914 0.203 0.000 3.160 84 V HA 0.791 4.927 4.120 0.027 0.000 0.310 84 V C -0.367 175.842 176.094 0.192 0.000 1.181 84 V CA -1.084 61.287 62.300 0.119 0.000 1.047 84 V CB 1.573 33.479 31.823 0.139 0.000 1.068 84 V HN 0.522 nan 8.190 nan 0.000 0.441 85 V N 1.421 121.424 119.914 0.147 0.000 2.649 85 V HA 0.570 4.706 4.120 0.027 0.000 0.292 85 V C -0.042 176.136 176.094 0.139 0.000 1.055 85 V CA -0.090 62.302 62.300 0.154 0.000 1.023 85 V CB 1.460 33.341 31.823 0.096 0.000 0.992 85 V HN 0.753 nan 8.190 nan 0.000 0.480 86 V N 6.430 126.340 119.914 -0.006 0.000 2.638 86 V HA 0.447 4.583 4.120 0.027 0.000 0.306 86 V C -2.348 173.632 176.094 -0.189 0.000 1.052 86 V CA -1.689 60.461 62.300 -0.250 0.000 0.885 86 V CB 2.465 33.743 31.823 -0.908 0.000 0.999 86 V HN 0.758 nan 8.190 nan 0.000 0.424 87 P HA 0.424 nan 4.420 nan 0.000 0.274 87 P C -0.762 176.469 177.300 -0.114 0.000 1.231 87 P CA -0.043 62.935 63.100 -0.202 0.000 0.790 87 P CB 1.268 32.863 31.700 -0.175 0.000 0.951 88 S N 0.432 116.075 115.700 -0.096 0.000 2.595 88 S HA 0.398 4.884 4.470 0.027 0.000 0.270 88 S C -1.233 173.299 174.600 -0.113 0.000 1.145 88 S CA -1.053 57.074 58.200 -0.121 0.000 0.825 88 S CB 0.494 63.554 63.200 -0.234 0.000 1.107 88 S HN 0.352 nan 8.310 nan 0.000 0.461 89 N N 0.944 119.515 118.700 -0.214 0.000 2.408 89 N HA 0.423 5.179 4.740 0.027 0.000 0.280 89 N C 0.573 175.912 175.510 -0.284 0.000 1.002 89 N CA -0.855 52.046 53.050 -0.249 0.000 0.907 89 N CB 0.696 39.007 38.487 -0.292 0.000 1.161 89 N HN 0.864 nan 8.380 nan 0.000 0.488 90 W N 2.559 123.727 121.300 -0.220 0.000 2.364 90 W HA -0.125 4.552 4.660 0.028 0.000 0.281 90 W C 1.022 177.513 176.519 -0.046 0.000 1.219 90 W CA 0.774 57.993 57.345 -0.209 0.000 1.220 90 W CB -0.360 29.008 29.460 -0.154 0.000 1.127 90 W HN 0.508 nan 8.180 nan 0.000 0.556 91 Q N 0.461 120.241 119.800 -0.034 0.000 2.170 91 Q HA -0.143 4.214 4.340 0.027 0.000 0.203 91 Q C 2.197 178.141 176.000 -0.093 0.000 0.976 91 Q CA 1.964 57.738 55.803 -0.050 0.000 0.858 91 Q CB -0.625 27.965 28.738 -0.246 0.000 0.907 91 Q HN 0.266 nan 8.270 nan 0.000 0.433 92 M N -0.780 118.726 119.600 -0.155 0.000 2.476 92 M HA -0.070 4.426 4.480 0.027 0.000 0.262 92 M C 0.775 177.128 176.300 0.089 0.000 1.079 92 M CA 1.454 56.689 55.300 -0.107 0.000 1.104 92 M CB -0.646 31.868 32.600 -0.144 0.000 1.409 92 M HN 0.389 nan 8.290 nan 0.000 0.467 93 H N -1.068 118.010 119.070 0.013 0.000 2.551 93 H HA 0.295 4.867 4.556 0.027 0.000 0.271 93 H C 1.278 176.477 175.328 -0.215 0.000 0.984 93 H CA 0.117 56.144 56.048 -0.035 0.000 1.164 93 H CB 0.428 30.255 29.762 0.109 0.000 1.437 93 H HN 0.549 nan 8.280 nan 0.000 0.550 94 G N 0.563 109.351 108.800 -0.019 0.000 2.157 94 G HA2 -0.355 3.621 3.960 0.027 0.000 0.248 94 G HA3 -0.355 3.621 3.960 0.027 0.000 0.248 94 G C 0.378 175.134 174.900 -0.240 0.000 0.979 94 G CA 0.267 45.284 45.100 -0.138 0.000 0.650 94 G HN 0.471 nan 8.290 nan 0.000 0.529 95 Y N 1.580 121.876 120.300 -0.007 0.000 2.373 95 Y HA 0.285 4.851 4.550 0.027 0.000 0.293 95 Y C 1.608 177.258 175.900 -0.416 0.000 1.129 95 Y CA 1.423 59.394 58.100 -0.216 0.000 1.226 95 Y CB 0.275 38.664 38.460 -0.119 0.000 1.000 95 Y HN 0.628 nan 8.280 nan 0.000 0.549 96 D N -1.764 118.701 120.400 0.107 0.000 2.665 96 D HA 0.481 5.138 4.640 0.027 0.000 0.287 96 D C -1.195 175.187 176.300 0.136 0.000 1.266 96 D CA -0.904 53.157 54.000 0.101 0.000 0.830 96 D CB 0.785 41.776 40.800 0.318 0.000 1.356 96 D HN -0.069 nan 8.370 nan 0.000 0.437 97 A N 0.144 123.051 122.820 0.146 0.000 2.327 97 A HA 0.695 5.031 4.320 0.027 0.000 0.283 97 A C -2.314 175.303 177.584 0.054 0.000 1.127 97 A CA -1.152 50.949 52.037 0.107 0.000 0.810 97 A CB 0.090 19.220 19.000 0.216 0.000 1.066 97 A HN 0.543 nan 8.150 nan 0.000 0.492 98 P HA 0.435 nan 4.420 nan 0.000 0.277 98 P C -0.896 176.571 177.300 0.279 0.000 1.240 98 P CA 0.053 63.098 63.100 -0.092 0.000 0.798 98 P CB 0.802 32.176 31.700 -0.543 0.000 0.979 99 I N 2.141 122.972 120.570 0.434 0.000 2.436 99 I HA 0.245 4.431 4.170 0.027 0.000 0.289 99 I C -0.634 175.644 176.117 0.269 0.000 1.010 99 I CA -0.969 60.565 61.300 0.390 0.000 1.098 99 I CB 1.688 39.858 38.000 0.283 0.000 1.266 99 I HN 0.288 nan 8.210 nan 0.000 0.434 100 Y N 6.337 126.516 120.300 -0.202 0.000 2.491 100 Y HA 0.518 5.084 4.550 0.027 0.000 0.334 100 Y C -0.364 175.369 175.900 -0.279 0.000 0.969 100 Y CA -0.598 57.118 58.100 -0.640 0.000 1.241 100 Y CB 1.129 38.750 38.460 -1.399 0.000 1.105 100 Y HN 0.520 nan 8.280 nan 0.000 0.503 101 T N 5.417 119.468 114.554 -0.839 0.000 2.861 101 T HA 0.254 4.620 4.350 0.027 0.000 0.287 101 T C 0.265 174.489 174.700 -0.793 0.000 1.003 101 T CA -0.601 61.046 62.100 -0.756 0.000 0.977 101 T CB 1.010 69.673 68.868 -0.342 0.000 0.996 101 T HN 0.768 nan 8.240 nan 0.000 0.448 102 N N 3.085 121.343 118.700 -0.737 0.000 2.202 102 N HA 0.020 4.776 4.740 0.027 0.000 0.191 102 N C 1.549 176.850 175.510 -0.347 0.000 1.054 102 N CA 1.598 54.381 53.050 -0.445 0.000 0.877 102 N CB -0.578 37.682 38.487 -0.379 0.000 1.057 102 N HN 0.411 nan 8.380 nan 0.000 0.456 103 V N 0.209 119.901 119.914 -0.369 0.000 2.581 103 V HA 0.119 4.256 4.120 0.027 0.000 0.240 103 V C 0.451 176.332 176.094 -0.355 0.000 1.054 103 V CA 0.767 62.852 62.300 -0.358 0.000 1.076 103 V CB -0.506 31.104 31.823 -0.356 0.000 0.748 103 V HN 0.301 nan 8.190 nan 0.000 0.474 104 T N 0.799 115.181 114.554 -0.286 0.000 2.928 104 T HA 0.176 4.542 4.350 0.027 0.000 0.305 104 T C -0.367 174.224 174.700 -0.181 0.000 1.035 104 T CA 0.200 62.182 62.100 -0.197 0.000 1.145 104 T CB -0.048 68.728 68.868 -0.154 0.000 0.963 104 T HN 0.178 nan 8.240 nan 0.000 0.545 105 Y N 4.337 124.552 120.300 -0.142 0.000 2.578 105 Y HA 0.117 4.683 4.550 0.027 0.000 0.339 105 Y C -0.751 175.029 175.900 -0.200 0.000 1.231 105 Y CA -1.629 56.372 58.100 -0.165 0.000 1.461 105 Y CB 0.446 38.801 38.460 -0.175 0.000 1.323 105 Y HN 0.519 nan 8.280 nan 0.000 0.590 106 P HA -0.023 nan 4.420 nan 0.000 0.237 106 P C -0.320 176.761 177.300 -0.366 0.000 1.178 106 P CA 1.132 64.129 63.100 -0.172 0.000 0.766 106 P CB 0.046 31.679 31.700 -0.112 0.000 0.876 107 I N -5.166 115.169 120.570 -0.391 0.000 2.934 107 I HA 0.482 4.668 4.170 0.027 0.000 0.306 107 I C -0.570 175.409 176.117 -0.230 0.000 1.110 107 I CA -1.224 59.806 61.300 -0.450 0.000 1.019 107 I CB 1.847 39.414 38.000 -0.722 0.000 1.227 107 I HN -0.454 nan 8.210 nan 0.000 0.434 108 T N 2.885 117.349 114.554 -0.151 0.000 2.946 108 T HA 0.125 4.491 4.350 0.027 0.000 0.311 108 T C 0.225 174.902 174.700 -0.039 0.000 1.063 108 T CA -0.198 61.864 62.100 -0.063 0.000 1.139 108 T CB 0.624 69.479 68.868 -0.022 0.000 0.994 108 T HN 0.385 nan 8.240 nan 0.000 0.547 109 V N 4.650 124.558 119.914 -0.010 0.000 2.387 109 V HA 0.245 4.382 4.120 0.027 0.000 0.260 109 V C 0.677 176.817 176.094 0.076 0.000 1.054 109 V CA -0.163 62.148 62.300 0.019 0.000 0.967 109 V CB -0.058 31.761 31.823 -0.007 0.000 1.036 109 V HN 0.881 nan 8.190 nan 0.000 0.481 110 N N 5.938 124.748 118.700 0.183 0.000 2.679 110 N HA 0.246 5.002 4.740 0.027 0.000 0.240 110 N C -2.992 172.628 175.510 0.184 0.000 1.537 110 N CA -1.148 52.007 53.050 0.175 0.000 0.793 110 N CB 1.420 40.043 38.487 0.227 0.000 1.391 110 N HN 0.268 nan 8.380 nan 0.000 0.524 111 P HA 0.198 nan 4.420 nan 0.000 0.266 111 P C -2.256 174.831 177.300 -0.355 0.000 1.195 111 P CA -0.730 61.995 63.100 -0.626 0.000 0.768 111 P CB 0.473 31.648 31.700 -0.874 0.000 0.838 112 P HA 0.223 nan 4.420 nan 0.000 0.259 112 P C -0.408 176.769 177.300 -0.205 0.000 1.530 112 P CA -0.277 62.615 63.100 -0.347 0.000 1.022 112 P CB -0.013 31.460 31.700 -0.378 0.000 1.514 113 F N 0.970 121.035 119.950 0.191 0.000 2.380 113 F HA 0.313 4.856 4.527 0.028 0.000 0.325 113 F C 1.370 177.337 175.800 0.279 0.000 1.136 113 F CA -0.579 57.540 58.000 0.198 0.000 1.171 113 F CB 0.977 40.044 39.000 0.112 0.000 1.230 113 F HN -0.193 nan 8.300 nan 0.000 0.554 114 V N -1.033 119.166 119.914 0.475 0.000 3.141 114 V HA 0.682 4.819 4.120 0.027 0.000 0.312 114 V C -2.836 173.418 176.094 0.266 0.000 1.157 114 V CA -2.851 59.640 62.300 0.318 0.000 1.041 114 V CB 1.390 33.441 31.823 0.380 0.000 1.071 114 V HN 0.464 nan 8.190 nan 0.000 0.441 115 P HA 0.205 nan 4.420 nan 0.000 0.268 115 P C 1.027 178.459 177.300 0.221 0.000 1.208 115 P CA 0.579 63.768 63.100 0.148 0.000 0.777 115 P CB 0.519 32.274 31.700 0.092 0.000 0.875 116 T N -1.870 112.784 114.554 0.168 0.000 2.904 116 T HA -0.066 4.300 4.350 0.027 0.000 0.267 116 T C 0.479 175.280 174.700 0.168 0.000 1.059 116 T CA 0.753 62.958 62.100 0.175 0.000 1.137 116 T CB -0.530 68.409 68.868 0.118 0.000 0.879 116 T HN 0.384 nan 8.240 nan 0.000 0.467 117 E N 2.609 122.907 120.200 0.163 0.000 1.996 117 E HA 0.298 4.664 4.350 0.027 0.000 0.280 117 E C -0.756 175.984 176.600 0.234 0.000 1.092 117 E CA -0.399 56.100 56.400 0.166 0.000 0.862 117 E CB 0.245 30.051 29.700 0.177 0.000 1.066 117 E HN 0.252 nan 8.360 nan 0.000 0.396 118 N N 4.634 123.446 118.700 0.186 0.000 2.576 118 N HA 0.242 4.998 4.740 0.027 0.000 0.269 118 N C -2.876 172.657 175.510 0.040 0.000 1.058 118 N CA -2.542 50.660 53.050 0.253 0.000 0.860 118 N CB 1.199 39.829 38.487 0.238 0.000 1.249 118 N HN 0.042 nan 8.380 nan 0.000 0.525 119 P HA 0.030 nan 4.420 nan 0.000 0.260 119 P C -0.840 176.359 177.300 -0.169 0.000 1.172 119 P CA 0.493 63.522 63.100 -0.120 0.000 0.760 119 P CB 0.379 32.330 31.700 0.418 0.000 0.773 120 T N 2.928 117.109 114.554 -0.621 0.000 2.809 120 T HA 0.562 4.928 4.350 0.027 0.000 0.284 120 T C 0.206 174.361 174.700 -0.909 0.000 0.992 120 T CA -0.555 61.238 62.100 -0.512 0.000 0.957 120 T CB 1.504 70.118 68.868 -0.424 0.000 0.942 120 T HN 0.330 nan 8.240 nan 0.000 0.439 121 G N 1.129 109.448 108.800 -0.802 0.000 2.384 121 G HA2 0.477 4.453 3.960 0.027 0.000 0.316 121 G HA3 0.477 4.453 3.960 0.027 0.000 0.316 121 G C -0.250 174.360 174.900 -0.484 0.000 1.160 121 G CA -0.363 44.134 45.100 -1.005 0.000 0.936 121 G HN 0.863 nan 8.290 nan 0.000 0.455 122 C N 3.350 122.145 119.300 -0.841 0.000 2.200 122 C HA 0.451 4.927 4.460 0.027 0.000 0.328 122 C C -0.492 174.458 174.990 -0.067 0.000 1.148 122 C CA -0.895 57.816 59.018 -0.513 0.000 1.624 122 C CB -1.865 25.192 27.740 -1.137 0.000 2.167 122 C HN 0.622 nan 8.230 nan 0.000 0.484 123 Y N 1.961 122.523 120.300 0.436 0.000 2.420 123 Y HA 0.632 5.199 4.550 0.027 0.000 0.334 123 Y C 0.805 177.139 175.900 0.724 0.000 1.094 123 Y CA -0.144 58.320 58.100 0.606 0.000 1.126 123 Y CB 1.493 40.302 38.460 0.581 0.000 1.217 123 Y HN 0.667 nan 8.280 nan 0.000 0.462 124 S N 2.191 118.373 115.700 0.804 0.000 2.579 124 S HA 0.823 5.309 4.470 0.027 0.000 0.272 124 S C -1.961 172.735 174.600 0.160 0.000 1.141 124 S CA -0.816 57.641 58.200 0.428 0.000 0.843 124 S CB 2.214 65.536 63.200 0.204 0.000 1.122 124 S HN 0.576 nan 8.310 nan 0.000 0.468 125 L N 0.911 122.040 121.223 -0.158 0.000 2.526 125 L HA 0.677 5.033 4.340 0.027 0.000 0.263 125 L C -1.081 175.737 176.870 -0.086 0.000 0.943 125 L CA 0.145 54.731 54.840 -0.424 0.000 0.859 125 L CB 2.233 43.526 42.059 -1.276 0.000 1.313 125 L HN 0.929 nan 8.230 nan 0.000 0.406 126 T N 5.755 120.288 114.554 -0.035 0.000 2.767 126 T HA 0.750 5.116 4.350 0.027 0.000 0.284 126 T C -0.811 173.936 174.700 0.077 0.000 0.973 126 T CA 0.024 62.136 62.100 0.020 0.000 0.996 126 T CB 0.228 69.073 68.868 -0.038 0.000 0.927 126 T HN 0.446 nan 8.240 nan 0.000 0.456 127 F N 0.941 120.792 119.950 -0.166 0.000 2.645 127 F HA 0.712 5.256 4.527 0.027 0.000 0.310 127 F C -0.755 174.963 175.800 -0.137 0.000 1.102 127 F CA -1.577 56.324 58.000 -0.165 0.000 0.952 127 F CB 1.332 40.208 39.000 -0.206 0.000 1.326 127 F HN 0.378 nan 8.300 nan 0.000 0.456 128 N N 0.536 119.147 118.700 -0.148 0.000 2.509 128 N HA 0.612 5.368 4.740 0.027 0.000 0.287 128 N C -1.880 173.481 175.510 -0.249 0.000 1.121 128 N CA -0.391 52.511 53.050 -0.246 0.000 0.977 128 N CB 1.864 40.265 38.487 -0.145 0.000 1.167 128 N HN 0.645 nan 8.380 nan 0.000 0.476 129 V N 2.198 121.944 119.914 -0.281 0.000 2.531 129 V HA 0.234 4.370 4.120 0.027 0.000 0.301 129 V C -0.426 175.548 176.094 -0.200 0.000 1.034 129 V CA -0.886 61.267 62.300 -0.246 0.000 0.865 129 V CB 1.339 33.077 31.823 -0.142 0.000 0.995 129 V HN 0.816 nan 8.190 nan 0.000 0.424 130 D N 2.439 122.678 120.400 -0.269 0.000 2.372 130 D HA 0.121 4.777 4.640 0.027 0.000 0.243 130 D C 1.130 177.437 176.300 0.012 0.000 1.121 130 D CA -0.018 53.910 54.000 -0.119 0.000 0.898 130 D CB 1.344 42.078 40.800 -0.111 0.000 1.202 130 D HN 0.675 nan 8.370 nan 0.000 0.428 131 E N 1.307 121.525 120.200 0.030 0.000 2.160 131 E HA -0.195 4.171 4.350 0.027 0.000 0.195 131 E C 1.680 178.352 176.600 0.119 0.000 0.991 131 E CA 1.686 58.126 56.400 0.067 0.000 0.810 131 E CB -0.285 29.438 29.700 0.039 0.000 0.742 131 E HN 0.455 nan 8.360 nan 0.000 0.466 132 S N -0.938 114.843 115.700 0.135 0.000 2.400 132 S HA -0.178 4.308 4.470 0.027 0.000 0.232 132 S C 1.764 176.458 174.600 0.157 0.000 1.025 132 S CA 1.040 59.321 58.200 0.134 0.000 0.993 132 S CB -0.892 62.388 63.200 0.134 0.000 0.808 132 S HN 0.403 nan 8.310 nan 0.000 0.478 133 W N 1.685 122.927 121.300 -0.097 0.000 2.519 133 W HA 0.337 5.013 4.660 0.027 0.000 0.266 133 W C 1.903 178.499 176.519 0.129 0.000 1.253 133 W CA 0.031 57.314 57.345 -0.102 0.000 1.274 133 W CB -0.422 29.050 29.460 0.020 0.000 1.114 133 W HN 0.314 nan 8.180 nan 0.000 0.596 134 L N -1.066 120.338 121.223 0.301 0.000 2.513 134 L HA 0.089 4.445 4.340 0.027 0.000 0.222 134 L C 2.088 179.046 176.870 0.147 0.000 1.096 134 L CA 0.345 55.315 54.840 0.217 0.000 0.857 134 L CB -0.609 41.548 42.059 0.163 0.000 1.026 134 L HN -0.134 nan 8.230 nan 0.000 0.469 135 Q N 0.291 120.166 119.800 0.124 0.000 2.230 135 Q HA 0.017 4.373 4.340 0.027 0.000 0.202 135 Q C 0.059 176.111 176.000 0.086 0.000 0.963 135 Q CA 0.970 56.824 55.803 0.085 0.000 0.866 135 Q CB 0.587 29.363 28.738 0.063 0.000 0.931 135 Q HN 0.338 nan 8.270 nan 0.000 0.452 136 E N -1.903 118.369 120.200 0.120 0.000 2.413 136 E HA 0.497 4.863 4.350 0.027 0.000 0.277 136 E C -0.384 176.324 176.600 0.179 0.000 0.958 136 E CA -0.035 56.434 56.400 0.114 0.000 0.779 136 E CB 1.752 31.510 29.700 0.096 0.000 1.278 136 E HN 0.233 nan 8.360 nan 0.000 0.456 137 G N 1.315 110.152 108.800 0.062 0.000 2.782 137 G HA2 -0.245 3.731 3.960 0.027 0.000 0.228 137 G HA3 -0.245 3.731 3.960 0.027 0.000 0.228 137 G C -0.647 174.162 174.900 -0.152 0.000 1.372 137 G CA -0.075 44.965 45.100 -0.100 0.000 0.862 137 G HN 0.503 nan 8.290 nan 0.000 0.547 138 Q N -0.550 119.010 119.800 -0.401 0.000 2.340 138 Q HA 0.651 5.007 4.340 0.027 0.000 0.268 138 Q C -0.933 174.915 176.000 -0.253 0.000 1.031 138 Q CA -0.511 55.164 55.803 -0.214 0.000 0.804 138 Q CB 1.593 30.240 28.738 -0.151 0.000 1.286 138 Q HN 0.625 nan 8.270 nan 0.000 0.448 139 T N 4.995 119.568 114.554 0.033 0.000 2.772 139 T HA 0.452 4.818 4.350 0.027 0.000 0.288 139 T C -0.587 174.226 174.700 0.189 0.000 0.994 139 T CA -0.636 61.586 62.100 0.204 0.000 0.951 139 T CB 0.472 69.605 68.868 0.441 0.000 0.933 139 T HN 0.625 nan 8.240 nan 0.000 0.447 140 R N 2.899 123.496 120.500 0.162 0.000 2.832 140 R HA 0.786 5.142 4.340 0.027 0.000 0.271 140 R C -1.005 175.388 176.300 0.154 0.000 0.996 140 R CA -0.971 55.220 56.100 0.152 0.000 0.977 140 R CB 1.470 31.835 30.300 0.108 0.000 1.168 140 R HN 0.556 nan 8.270 nan 0.000 0.482 141 I N 2.130 122.790 120.570 0.150 0.000 2.525 141 I HA 0.456 4.642 4.170 0.027 0.000 0.301 141 I C -1.076 175.072 176.117 0.052 0.000 0.992 141 I CA -1.223 60.110 61.300 0.056 0.000 1.162 141 I CB 1.360 39.383 38.000 0.039 0.000 1.332 141 I HN 0.624 nan 8.210 nan 0.000 0.458 142 I N 7.024 127.527 120.570 -0.111 0.000 2.478 142 I HA 0.287 4.473 4.170 0.027 0.000 0.287 142 I C -1.346 174.635 176.117 -0.227 0.000 1.042 142 I CA -0.322 60.941 61.300 -0.061 0.000 1.067 142 I CB 1.582 39.558 38.000 -0.040 0.000 1.233 142 I HN 0.391 nan 8.210 nan 0.000 0.431 143 F N 4.615 124.562 119.950 -0.005 0.000 2.308 143 F HA 0.272 4.815 4.527 0.027 0.000 0.370 143 F C 1.304 177.004 175.800 -0.167 0.000 1.100 143 F CA -0.428 57.499 58.000 -0.122 0.000 1.108 143 F CB 0.827 39.723 39.000 -0.172 0.000 1.293 143 F HN 0.464 nan 8.300 nan 0.000 0.478 144 D N 2.405 122.741 120.400 -0.108 0.000 2.264 144 D HA 0.035 4.691 4.640 0.027 0.000 0.208 144 D C 0.995 177.145 176.300 -0.249 0.000 0.966 144 D CA 0.855 54.744 54.000 -0.185 0.000 0.864 144 D CB 0.401 41.030 40.800 -0.285 0.000 0.933 144 D HN 0.618 nan 8.370 nan 0.000 0.499 145 G N -0.291 108.308 108.800 -0.334 0.000 2.334 145 G HA2 0.430 4.406 3.960 0.027 0.000 0.290 145 G HA3 0.430 4.406 3.960 0.027 0.000 0.290 145 G C -1.407 173.262 174.900 -0.384 0.000 1.310 145 G CA -0.411 44.384 45.100 -0.508 0.000 1.308 145 G HN -0.055 nan 8.290 nan 0.000 0.612 146 V N 2.518 122.400 119.914 -0.053 0.000 2.525 146 V HA 0.542 4.679 4.120 0.027 0.000 0.299 146 V C -0.831 175.347 176.094 0.140 0.000 1.034 146 V CA -1.173 61.091 62.300 -0.059 0.000 0.863 146 V CB 1.990 33.519 31.823 -0.490 0.000 0.999 146 V HN 0.691 nan 8.190 nan 0.000 0.423 147 N N 2.460 121.231 118.700 0.117 0.000 2.443 147 N HA 0.342 5.099 4.740 0.027 0.000 0.269 147 N C 0.545 175.990 175.510 -0.108 0.000 0.985 147 N CA 0.111 53.143 53.050 -0.029 0.000 0.921 147 N CB 2.176 40.494 38.487 -0.281 0.000 1.195 147 N HN 0.685 nan 8.380 nan 0.000 0.492 148 S N 1.760 117.435 115.700 -0.042 0.000 2.559 148 S HA 0.590 5.076 4.470 0.027 0.000 0.226 148 S C 0.334 174.993 174.600 0.099 0.000 1.030 148 S CA -0.003 58.220 58.200 0.038 0.000 0.956 148 S CB 0.380 63.617 63.200 0.062 0.000 0.900 148 S HN 0.650 nan 8.310 nan 0.000 0.510 149 A N 0.910 123.799 122.820 0.115 0.000 2.612 149 A HA 0.808 5.144 4.320 0.027 0.000 0.293 149 A C -1.293 176.378 177.584 0.145 0.000 1.075 149 A CA -1.004 51.067 52.037 0.056 0.000 0.680 149 A CB 0.902 19.967 19.000 0.108 0.000 1.279 149 A HN 1.069 nan 8.150 nan 0.000 0.411 150 F N -0.872 118.886 119.950 -0.319 0.000 2.741 150 F HA 0.735 5.278 4.527 0.027 0.000 0.311 150 F C -1.168 174.516 175.800 -0.193 0.000 1.149 150 F CA -0.848 57.065 58.000 -0.144 0.000 0.930 150 F CB 1.099 40.001 39.000 -0.163 0.000 1.312 150 F HN 0.631 nan 8.300 nan 0.000 0.450 151 H N 1.593 120.801 119.070 0.231 0.000 2.529 151 H HA 0.723 5.295 4.556 0.027 0.000 0.348 151 H C -1.511 173.773 175.328 -0.074 0.000 1.152 151 H CA -0.737 55.314 56.048 0.006 0.000 1.202 151 H CB 2.517 32.279 29.762 -0.000 0.000 1.562 151 H HN 0.738 nan 8.280 nan 0.000 0.515 152 L N 2.861 123.846 121.223 -0.397 0.000 2.386 152 L HA 0.404 4.761 4.340 0.027 0.000 0.271 152 L C -1.567 174.996 176.870 -0.512 0.000 0.993 152 L CA -0.528 54.161 54.840 -0.251 0.000 0.819 152 L CB 1.452 43.210 42.059 -0.501 0.000 1.294 152 L HN 0.531 nan 8.230 nan 0.000 0.414 153 W N 4.097 125.363 121.300 -0.057 0.000 2.864 153 W HA 0.629 5.306 4.660 0.027 0.000 0.343 153 W C -1.111 175.350 176.519 -0.098 0.000 1.109 153 W CA -0.799 56.499 57.345 -0.078 0.000 1.192 153 W CB 2.086 31.544 29.460 -0.002 0.000 1.426 153 W HN 0.611 nan 8.180 nan 0.000 0.529 154 C N 3.985 123.375 119.300 0.151 0.000 2.481 154 C HA 0.298 4.775 4.460 0.027 0.000 0.324 154 C C 0.216 175.342 174.990 0.226 0.000 1.170 154 C CA -0.386 58.719 59.018 0.145 0.000 1.361 154 C CB -0.320 27.435 27.740 0.024 0.000 1.977 154 C HN 0.809 nan 8.230 nan 0.000 0.459 155 N N 3.429 122.217 118.700 0.147 0.000 2.716 155 N HA -0.192 4.564 4.740 0.027 0.000 0.250 155 N C 1.009 176.587 175.510 0.114 0.000 1.033 155 N CA 2.145 55.254 53.050 0.097 0.000 0.727 155 N CB -1.229 37.320 38.487 0.104 0.000 0.950 155 N HN 1.884 nan 8.380 nan 0.000 0.541 156 G N -1.328 107.537 108.800 0.107 0.000 2.205 156 G HA2 -0.367 3.609 3.960 0.027 0.000 0.261 156 G HA3 -0.367 3.609 3.960 0.027 0.000 0.261 156 G C 0.140 175.218 174.900 0.296 0.000 0.980 156 G CA 0.630 45.792 45.100 0.103 0.000 0.632 156 G HN 0.557 nan 8.290 nan 0.000 0.533 157 R N -0.928 119.812 120.500 0.400 0.000 2.407 157 R HA 0.444 4.800 4.340 0.027 0.000 0.303 157 R C -0.215 176.422 176.300 0.563 0.000 0.981 157 R CA -0.836 55.570 56.100 0.509 0.000 0.905 157 R CB 1.137 31.744 30.300 0.511 0.000 1.099 157 R HN 0.217 nan 8.270 nan 0.000 0.459 158 W N 3.443 124.918 121.300 0.291 0.000 2.216 158 W HA 0.106 4.782 4.660 0.027 0.000 0.326 158 W C 0.046 176.481 176.519 -0.140 0.000 1.319 158 W CA 0.020 57.213 57.345 -0.253 0.000 1.213 158 W CB 0.718 29.995 29.460 -0.306 0.000 1.171 158 W HN 0.316 nan 8.180 nan 0.000 0.557 159 V N 5.104 124.272 119.914 -1.244 0.000 2.806 159 V HA 0.534 4.670 4.120 0.027 0.000 0.239 159 V C 1.010 176.104 176.094 -1.667 0.000 1.113 159 V CA 1.038 62.573 62.300 -1.276 0.000 1.137 159 V CB -0.201 30.887 31.823 -1.224 0.000 0.865 159 V HN 0.842 nan 8.190 nan 0.000 0.482 160 G N -1.711 105.849 108.800 -2.067 0.000 2.341 160 G HA2 0.450 4.427 3.960 0.027 0.000 0.299 160 G HA3 0.450 4.427 3.960 0.027 0.000 0.299 160 G C -2.406 172.013 174.900 -0.801 0.000 1.274 160 G CA -0.205 44.033 45.100 -1.436 0.000 0.853 160 G HN 0.011 nan 8.290 nan 0.000 0.493 161 Y N -0.538 119.476 120.300 -0.476 0.000 2.571 161 Y HA 0.694 5.260 4.550 0.027 0.000 0.341 161 Y C -0.111 175.551 175.900 -0.396 0.000 1.076 161 Y CA 0.001 57.776 58.100 -0.542 0.000 1.029 161 Y CB 2.184 40.479 38.460 -0.274 0.000 1.308 161 Y HN 1.281 nan 8.280 nan 0.000 0.461 162 G N 3.598 111.535 108.800 -1.437 0.000 2.718 162 G HA2 0.591 4.567 3.960 0.027 0.000 0.295 162 G HA3 0.591 4.567 3.960 0.027 0.000 0.295 162 G C -2.122 172.315 174.900 -0.772 0.000 1.421 162 G CA -0.841 43.739 45.100 -0.867 0.000 0.902 162 G HN 0.627 nan 8.290 nan 0.000 0.501 163 Q N -0.435 119.171 119.800 -0.325 0.000 2.668 163 Q HA 0.579 4.935 4.340 0.027 0.000 0.298 163 Q C -1.422 174.579 176.000 0.003 0.000 1.071 163 Q CA -0.817 54.919 55.803 -0.112 0.000 0.789 163 Q CB 2.670 31.388 28.738 -0.033 0.000 1.497 163 Q HN 0.674 nan 8.270 nan 0.000 0.460 164 D N -0.209 120.229 120.400 0.064 0.000 4.303 164 D HA -0.097 4.560 4.640 0.027 0.000 0.230 164 D C -0.544 175.820 176.300 0.106 0.000 1.172 164 D CA 0.523 54.576 54.000 0.088 0.000 1.001 164 D CB -0.715 40.122 40.800 0.061 0.000 0.641 164 D HN 0.521 nan 8.370 nan 0.000 0.296 165 S N 3.218 118.994 115.700 0.126 0.000 2.547 165 S HA -0.069 4.417 4.470 0.027 0.000 0.235 165 S C 1.514 176.244 174.600 0.218 0.000 0.980 165 S CA 0.569 58.870 58.200 0.169 0.000 0.941 165 S CB 0.209 63.478 63.200 0.114 0.000 0.763 165 S HN 0.476 nan 8.310 nan 0.000 0.532 166 R N 0.135 120.729 120.500 0.156 0.000 2.565 166 R HA 0.430 4.787 4.340 0.027 0.000 0.347 166 R C -0.475 175.888 176.300 0.104 0.000 1.010 166 R CA 0.051 56.244 56.100 0.155 0.000 1.126 166 R CB 0.203 30.619 30.300 0.193 0.000 1.331 166 R HN 0.317 nan 8.270 nan 0.000 0.552 167 L N 1.523 122.778 121.223 0.055 0.000 2.371 167 L HA 0.515 4.872 4.340 0.027 0.000 0.262 167 L C -2.394 174.458 176.870 -0.029 0.000 1.006 167 L CA -2.310 52.532 54.840 0.002 0.000 0.818 167 L CB 2.965 45.016 42.059 -0.013 0.000 1.354 167 L HN -0.205 nan 8.230 nan 0.000 0.415 168 P HA 0.096 nan 4.420 nan 0.000 0.271 168 P C -0.982 176.283 177.300 -0.058 0.000 1.216 168 P CA -0.187 62.869 63.100 -0.072 0.000 0.771 168 P CB 1.069 32.685 31.700 -0.140 0.000 0.864 169 S N 2.104 117.829 115.700 0.042 0.000 2.456 169 S HA 0.300 4.786 4.470 0.027 0.000 0.316 169 S C -0.345 174.199 174.600 -0.093 0.000 1.089 169 S CA -0.558 57.624 58.200 -0.030 0.000 1.101 169 S CB 0.727 64.085 63.200 0.263 0.000 0.995 169 S HN 0.364 nan 8.310 nan 0.000 0.468 170 E N 2.033 121.964 120.200 -0.448 0.000 2.212 170 E HA 0.571 4.937 4.350 0.027 0.000 0.268 170 E C -1.392 174.776 176.600 -0.721 0.000 0.902 170 E CA -0.553 55.658 56.400 -0.316 0.000 0.779 170 E CB 1.661 31.292 29.700 -0.114 0.000 1.172 170 E HN 0.417 nan 8.360 nan 0.000 0.409 171 F N 0.593 120.593 119.950 0.084 0.000 2.565 171 F HA 0.189 4.733 4.527 0.028 0.000 0.313 171 F C 0.039 175.859 175.800 0.033 0.000 1.091 171 F CA -1.120 56.892 58.000 0.020 0.000 0.915 171 F CB 1.560 40.538 39.000 -0.037 0.000 1.208 171 F HN 0.280 nan 8.300 nan 0.000 0.453 172 D N 2.984 123.509 120.400 0.208 0.000 2.338 172 D HA 0.180 4.836 4.640 0.027 0.000 0.255 172 D C 0.285 176.718 176.300 0.222 0.000 1.237 172 D CA 0.399 54.506 54.000 0.178 0.000 0.883 172 D CB 0.864 41.754 40.800 0.149 0.000 1.087 172 D HN 0.565 nan 8.370 nan 0.000 0.485 173 L N 2.894 124.253 121.223 0.226 0.000 2.667 173 L HA 0.035 4.391 4.340 0.027 0.000 0.232 173 L C 2.082 179.180 176.870 0.381 0.000 1.138 173 L CA -0.180 54.831 54.840 0.286 0.000 0.921 173 L CB 0.079 42.270 42.059 0.221 0.000 1.180 173 L HN 0.276 nan 8.230 nan 0.000 0.487 174 S N 1.377 117.248 115.700 0.285 0.000 2.372 174 S HA -0.266 4.220 4.470 0.027 0.000 0.227 174 S C 1.953 176.666 174.600 0.188 0.000 1.044 174 S CA 1.866 60.195 58.200 0.215 0.000 1.050 174 S CB -0.116 63.167 63.200 0.138 0.000 0.901 174 S HN 0.567 nan 8.310 nan 0.000 0.447 175 A N -0.830 122.096 122.820 0.177 0.000 2.251 175 A HA 0.395 4.731 4.320 0.027 0.000 0.209 175 A C 1.155 178.663 177.584 -0.125 0.000 1.187 175 A CA 0.127 52.152 52.037 -0.019 0.000 0.823 175 A CB -0.353 18.550 19.000 -0.162 0.000 0.846 175 A HN 0.475 nan 8.150 nan 0.000 0.486 176 F N -0.955 119.038 119.950 0.072 0.000 2.724 176 F HA 0.394 4.938 4.527 0.027 0.000 0.306 176 F C 0.609 176.447 175.800 0.064 0.000 1.100 176 F CA -0.057 57.984 58.000 0.069 0.000 1.255 176 F CB 0.259 39.306 39.000 0.079 0.000 1.072 176 F HN -0.011 nan 8.300 nan 0.000 0.589 177 L N 0.764 122.133 121.223 0.243 0.000 2.365 177 L HA 0.574 4.930 4.340 0.027 0.000 0.267 177 L C 0.108 177.021 176.870 0.071 0.000 1.033 177 L CA -0.942 53.983 54.840 0.142 0.000 0.802 177 L CB 1.279 43.434 42.059 0.160 0.000 1.267 177 L HN -0.069 nan 8.230 nan 0.000 0.457 178 R N 1.004 121.508 120.500 0.007 0.000 2.808 178 R HA 0.746 5.102 4.340 0.027 0.000 0.272 178 R C -1.227 175.048 176.300 -0.042 0.000 0.995 178 R CA -0.725 55.370 56.100 -0.008 0.000 0.917 178 R CB 1.651 31.939 30.300 -0.020 0.000 1.217 178 R HN 0.589 nan 8.270 nan 0.000 0.471 179 A N 1.118 123.923 122.820 -0.026 0.000 2.498 179 A HA 0.478 4.815 4.320 0.027 0.000 0.239 179 A C 1.044 178.578 177.584 -0.083 0.000 1.068 179 A CA 1.186 53.197 52.037 -0.043 0.000 0.766 179 A CB -0.658 18.331 19.000 -0.019 0.000 1.003 179 A HN 1.489 nan 8.150 nan 0.000 0.497 180 G N 1.230 109.961 108.800 -0.114 0.000 2.488 180 G HA2 -0.102 3.874 3.960 0.027 0.000 0.237 180 G HA3 -0.102 3.874 3.960 0.027 0.000 0.237 180 G C -0.368 174.404 174.900 -0.213 0.000 1.209 180 G CA -0.043 44.976 45.100 -0.135 0.000 0.929 180 G HN 0.942 nan 8.290 nan 0.000 0.578 181 E N 2.125 122.209 120.200 -0.194 0.000 2.384 181 E HA 0.384 4.751 4.350 0.027 0.000 0.266 181 E C 0.400 176.809 176.600 -0.319 0.000 1.012 181 E CA 0.140 56.388 56.400 -0.254 0.000 0.901 181 E CB 0.433 30.035 29.700 -0.165 0.000 0.967 181 E HN 0.487 nan 8.360 nan 0.000 0.435 182 N N 2.073 120.454 118.700 -0.531 0.000 2.357 182 N HA 0.382 5.138 4.740 0.027 0.000 0.284 182 N C -0.775 174.498 175.510 -0.395 0.000 1.236 182 N CA -0.653 52.078 53.050 -0.532 0.000 0.774 182 N CB 2.753 40.711 38.487 -0.881 0.000 1.534 182 N HN 0.210 nan 8.380 nan 0.000 0.478 183 R N 1.646 122.087 120.500 -0.099 0.000 2.513 183 R HA 0.500 4.856 4.340 0.027 0.000 0.301 183 R C -1.214 175.169 176.300 0.138 0.000 0.968 183 R CA -0.480 55.645 56.100 0.042 0.000 0.872 183 R CB 1.092 31.367 30.300 -0.041 0.000 1.177 183 R HN 0.486 nan 8.270 nan 0.000 0.444 184 L N 2.883 124.221 121.223 0.193 0.000 2.360 184 L HA 0.769 5.125 4.340 0.027 0.000 0.271 184 L C -0.281 176.642 176.870 0.088 0.000 1.057 184 L CA -0.916 54.024 54.840 0.167 0.000 0.803 184 L CB 1.918 44.057 42.059 0.133 0.000 1.207 184 L HN 0.767 nan 8.230 nan 0.000 0.445 185 A N 2.543 125.435 122.820 0.120 0.000 2.381 185 A HA 0.746 5.082 4.320 0.027 0.000 0.299 185 A C -1.188 176.668 177.584 0.452 0.000 1.049 185 A CA -0.440 51.577 52.037 -0.034 0.000 0.715 185 A CB 1.648 20.136 19.000 -0.854 0.000 1.222 185 A HN 0.354 nan 8.150 nan 0.000 0.428 186 V N 3.132 123.476 119.914 0.716 0.000 2.483 186 V HA 0.494 4.630 4.120 0.027 0.000 0.297 186 V C -0.110 176.509 176.094 0.876 0.000 1.027 186 V CA -0.305 62.427 62.300 0.719 0.000 0.855 186 V CB 1.564 33.613 31.823 0.375 0.000 0.995 186 V HN 0.966 nan 8.190 nan 0.000 0.424 187 M N 5.963 126.110 119.600 0.911 0.000 2.061 187 M HA 0.572 5.069 4.480 0.027 0.000 0.346 187 M C -1.418 175.136 176.300 0.424 0.000 1.112 187 M CA -0.376 55.271 55.300 0.579 0.000 1.021 187 M CB 1.083 34.048 32.600 0.608 0.000 1.530 187 M HN 0.494 nan 8.290 nan 0.000 0.437 188 V N 6.809 126.923 119.914 0.334 0.000 2.370 188 V HA 0.395 4.531 4.120 0.027 0.000 0.283 188 V C -0.068 176.186 176.094 0.268 0.000 1.023 188 V CA -0.713 61.796 62.300 0.347 0.000 0.857 188 V CB 1.345 33.463 31.823 0.492 0.000 0.985 188 V HN 0.801 nan 8.190 nan 0.000 0.443 189 L N 4.792 126.108 121.223 0.155 0.000 2.292 189 L HA 0.509 4.865 4.340 0.027 0.000 0.284 189 L C 1.543 178.437 176.870 0.039 0.000 1.065 189 L CA -0.371 54.485 54.840 0.028 0.000 0.806 189 L CB 1.222 43.206 42.059 -0.126 0.000 1.175 189 L HN 0.661 nan 8.230 nan 0.000 0.431 190 R N 2.744 123.220 120.500 -0.040 0.000 2.073 190 R HA -0.029 4.327 4.340 0.027 0.000 0.229 190 R C -0.353 175.631 176.300 -0.527 0.000 1.120 190 R CA 1.184 57.024 56.100 -0.433 0.000 0.967 190 R CB 0.245 30.142 30.300 -0.672 0.000 0.862 190 R HN 0.567 nan 8.270 nan 0.000 0.436 191 W N 0.034 121.397 121.300 0.104 0.000 2.689 191 W HA 0.428 5.104 4.660 0.026 0.000 0.340 191 W C -0.390 176.241 176.519 0.185 0.000 1.060 191 W CA -0.759 56.654 57.345 0.113 0.000 1.218 191 W CB 1.858 31.386 29.460 0.113 0.000 1.410 191 W HN 0.023 nan 8.180 nan 0.000 0.528 192 S N -1.126 114.855 115.700 0.469 0.000 2.643 192 S HA 0.191 4.677 4.470 0.027 0.000 0.270 192 S C 0.047 174.905 174.600 0.429 0.000 1.166 192 S CA -0.422 58.067 58.200 0.482 0.000 0.815 192 S CB 1.113 64.571 63.200 0.430 0.000 1.139 192 S HN 0.640 nan 8.310 nan 0.000 0.472 193 D N 0.409 121.072 120.400 0.437 0.000 2.263 193 D HA 0.066 4.722 4.640 0.027 0.000 0.208 193 D C 1.760 178.395 176.300 0.559 0.000 0.971 193 D CA 1.191 55.512 54.000 0.534 0.000 0.867 193 D CB -0.674 40.292 40.800 0.277 0.000 0.929 193 D HN 0.712 nan 8.370 nan 0.000 0.492 194 G N 0.076 109.108 108.800 0.386 0.000 2.448 194 G HA2 -0.245 3.731 3.960 0.027 0.000 0.219 194 G HA3 -0.245 3.731 3.960 0.027 0.000 0.219 194 G C 1.685 176.776 174.900 0.318 0.000 1.127 194 G CA 0.654 45.952 45.100 0.331 0.000 0.766 194 G HN 0.307 nan 8.290 nan 0.000 0.552 195 S N -0.112 115.763 115.700 0.291 0.000 2.419 195 S HA -0.092 4.394 4.470 0.027 0.000 0.233 195 S C 1.870 176.572 174.600 0.170 0.000 1.016 195 S CA 0.631 58.968 58.200 0.228 0.000 0.974 195 S CB -0.388 62.966 63.200 0.257 0.000 0.786 195 S HN 0.557 nan 8.310 nan 0.000 0.492 196 Y N 1.221 121.653 120.300 0.220 0.000 2.421 196 Y HA 0.064 4.630 4.550 0.027 0.000 0.292 196 Y C 1.644 177.651 175.900 0.178 0.000 1.136 196 Y CA 0.670 58.818 58.100 0.079 0.000 1.255 196 Y CB -0.193 38.168 38.460 -0.165 0.000 0.991 196 Y HN 0.204 nan 8.280 nan 0.000 0.552 197 L N -0.366 121.055 121.223 0.331 0.000 2.628 197 L HA 0.103 4.459 4.340 0.027 0.000 0.229 197 L C 0.123 177.130 176.870 0.229 0.000 1.137 197 L CA 0.458 55.446 54.840 0.247 0.000 0.909 197 L CB 0.052 42.263 42.059 0.253 0.000 1.137 197 L HN 0.149 nan 8.230 nan 0.000 0.470 198 E N -0.084 120.263 120.200 0.246 0.000 3.388 198 E HA 0.039 4.406 4.350 0.027 0.000 0.214 198 E C -0.458 176.244 176.600 0.170 0.000 1.040 198 E CA -0.073 56.455 56.400 0.212 0.000 1.327 198 E CB 0.471 30.290 29.700 0.198 0.000 1.243 198 E HN 0.034 nan 8.360 nan 0.000 0.444 199 D N 1.157 121.608 120.400 0.084 0.000 2.538 199 D HA 0.027 4.683 4.640 0.027 0.000 0.234 199 D C -0.182 176.083 176.300 -0.058 0.000 1.191 199 D CA -0.065 53.865 54.000 -0.117 0.000 0.828 199 D CB 0.132 40.607 40.800 -0.542 0.000 0.981 199 D HN 0.060 nan 8.370 nan 0.000 0.490 200 Q N 0.370 120.239 119.800 0.115 0.000 2.421 200 Q HA 0.120 4.476 4.340 0.027 0.000 0.255 200 Q C -0.043 176.053 176.000 0.159 0.000 1.013 200 Q CA 0.054 55.987 55.803 0.217 0.000 0.895 200 Q CB 0.552 29.599 28.738 0.515 0.000 1.271 200 Q HN 0.029 nan 8.270 nan 0.000 0.460 201 D N 2.742 123.252 120.400 0.183 0.000 2.489 201 D HA 0.167 4.824 4.640 0.027 0.000 0.237 201 D C -0.798 175.639 176.300 0.228 0.000 1.212 201 D CA 0.132 54.225 54.000 0.156 0.000 1.058 201 D CB -0.490 40.384 40.800 0.124 0.000 1.098 201 D HN 0.500 nan 8.370 nan 0.000 0.509 202 M N 0.236 119.949 119.600 0.188 0.000 3.012 202 M HA 0.370 4.866 4.480 0.027 0.000 0.272 202 M C -1.348 175.053 176.300 0.168 0.000 1.187 202 M CA -1.130 54.215 55.300 0.074 0.000 0.813 202 M CB 1.033 33.602 32.600 -0.052 0.000 1.626 202 M HN -0.105 nan 8.290 nan 0.000 0.507 203 W N 1.871 123.256 121.300 0.142 0.000 2.193 203 W HA 0.309 4.985 4.660 0.027 0.000 0.338 203 W C 0.287 176.827 176.519 0.035 0.000 1.310 203 W CA -0.015 57.406 57.345 0.126 0.000 1.243 203 W CB 0.349 29.822 29.460 0.022 0.000 1.165 203 W HN 0.311 nan 8.180 nan 0.000 0.566 204 R N 4.530 125.210 120.500 0.301 0.000 2.215 204 R HA 0.430 4.786 4.340 0.027 0.000 0.337 204 R C -0.133 176.172 176.300 0.008 0.000 1.010 204 R CA -0.282 55.908 56.100 0.151 0.000 0.871 204 R CB 0.285 30.745 30.300 0.268 0.000 1.134 204 R HN 0.553 nan 8.270 nan 0.000 0.477 205 M N 0.240 119.732 119.600 -0.180 0.000 2.739 205 M HA 0.535 5.031 4.480 0.027 0.000 0.284 205 M C -0.067 175.873 176.300 -0.600 0.000 1.103 205 M CA -0.802 54.269 55.300 -0.383 0.000 0.809 205 M CB 2.254 34.628 32.600 -0.378 0.000 1.708 205 M HN 0.650 nan 8.290 nan 0.000 0.481 206 S N -1.262 113.955 115.700 -0.805 0.000 2.615 206 S HA 0.928 5.414 4.470 0.027 0.000 0.268 206 S C -0.659 173.459 174.600 -0.804 0.000 1.146 206 S CA -0.225 57.444 58.200 -0.885 0.000 0.818 206 S CB 1.716 64.176 63.200 -1.234 0.000 1.111 206 S HN 1.444 nan 8.310 nan 0.000 0.465 207 G N -0.173 108.404 108.800 -0.373 0.000 2.343 207 G HA2 0.225 4.201 3.960 0.027 0.000 0.465 207 G HA3 0.225 4.201 3.960 0.027 0.000 0.465 207 G C -1.495 173.430 174.900 0.042 0.000 1.282 207 G CA -0.639 44.519 45.100 0.096 0.000 0.996 207 G HN 1.147 nan 8.290 nan 0.000 0.521 208 I N 2.055 122.511 120.570 -0.191 0.000 2.224 208 I HA 0.266 4.452 4.170 0.027 0.000 0.293 208 I C 1.133 177.112 176.117 -0.229 0.000 1.155 208 I CA -0.211 60.848 61.300 -0.401 0.000 1.297 208 I CB -0.252 37.228 38.000 -0.866 0.000 1.487 208 I HN 0.506 nan 8.210 nan 0.000 0.564 209 F N 3.877 123.678 119.950 -0.248 0.000 2.695 209 F HA 0.452 4.995 4.527 0.026 0.000 0.303 209 F C 0.706 176.429 175.800 -0.130 0.000 1.091 209 F CA -0.558 57.331 58.000 -0.186 0.000 1.300 209 F CB 0.116 39.009 39.000 -0.178 0.000 1.071 209 F HN 0.102 nan 8.300 nan 0.000 0.578 210 R N 0.532 120.550 120.500 -0.803 0.000 2.939 210 R HA 0.252 4.608 4.340 0.027 0.000 0.254 210 R C -0.700 175.386 176.300 -0.357 0.000 1.123 210 R CA -1.171 54.592 56.100 -0.560 0.000 1.020 210 R CB 0.669 30.581 30.300 -0.646 0.000 1.206 210 R HN -0.024 nan 8.270 nan 0.000 0.491 211 D N 0.728 120.969 120.400 -0.265 0.000 2.419 211 D HA 0.103 4.760 4.640 0.027 0.000 0.236 211 D C -0.437 175.729 176.300 -0.223 0.000 1.165 211 D CA 0.425 54.312 54.000 -0.188 0.000 0.882 211 D CB 0.751 41.476 40.800 -0.126 0.000 1.201 211 D HN -0.010 nan 8.370 nan 0.000 0.443 212 V N 0.905 120.698 119.914 -0.202 0.000 2.540 212 V HA 0.569 4.705 4.120 0.027 0.000 0.302 212 V C 0.086 176.064 176.094 -0.193 0.000 1.035 212 V CA -0.573 61.547 62.300 -0.300 0.000 0.873 212 V CB 1.731 33.384 31.823 -0.282 0.000 0.992 212 V HN 0.776 nan 8.190 nan 0.000 0.428 213 S N 4.288 119.851 115.700 -0.229 0.000 2.638 213 S HA 0.886 5.372 4.470 0.027 0.000 0.274 213 S C -1.552 172.992 174.600 -0.093 0.000 1.157 213 S CA -0.847 57.285 58.200 -0.114 0.000 0.826 213 S CB 2.150 65.319 63.200 -0.050 0.000 1.139 213 S HN 0.449 nan 8.310 nan 0.000 0.474 214 L N 1.201 122.432 121.223 0.014 0.000 2.385 214 L HA 0.777 5.133 4.340 0.027 0.000 0.273 214 L C -1.532 175.517 176.870 0.298 0.000 0.990 214 L CA -0.694 54.226 54.840 0.134 0.000 0.821 214 L CB 1.651 43.775 42.059 0.107 0.000 1.279 214 L HN 0.845 nan 8.230 nan 0.000 0.412 215 L N 4.275 125.662 121.223 0.274 0.000 2.356 215 L HA 0.494 4.850 4.340 0.027 0.000 0.277 215 L C -1.050 175.859 176.870 0.065 0.000 0.996 215 L CA -0.185 54.758 54.840 0.171 0.000 0.822 215 L CB 1.295 43.409 42.059 0.092 0.000 1.256 215 L HN 0.627 nan 8.230 nan 0.000 0.413 216 H N 5.273 124.130 119.070 -0.354 0.000 2.488 216 H HA 0.482 5.054 4.556 0.027 0.000 0.322 216 H C -1.228 173.882 175.328 -0.364 0.000 1.078 216 H CA -0.574 55.130 56.048 -0.573 0.000 1.260 216 H CB 1.170 30.083 29.762 -1.415 0.000 1.425 216 H HN 0.524 nan 8.280 nan 0.000 0.471 217 K N 5.350 125.347 120.400 -0.671 0.000 2.385 217 K HA 0.375 4.711 4.320 0.027 0.000 0.248 217 K C -2.719 173.593 176.600 -0.481 0.000 0.955 217 K CA -2.030 54.006 56.287 -0.419 0.000 0.816 217 K CB 2.198 34.530 32.500 -0.280 0.000 1.250 217 K HN 0.487 nan 8.250 nan 0.000 0.434 218 P HA 0.171 nan 4.420 nan 0.000 0.274 218 P C 0.531 177.742 177.300 -0.148 0.000 1.246 218 P CA -0.209 62.801 63.100 -0.148 0.000 0.795 218 P CB 0.500 32.165 31.700 -0.059 0.000 1.006 219 T N -1.083 113.414 114.554 -0.096 0.000 2.746 219 T HA -0.054 4.312 4.350 0.027 0.000 0.267 219 T C 0.601 175.254 174.700 -0.077 0.000 1.039 219 T CA 1.610 63.664 62.100 -0.077 0.000 1.142 219 T CB -0.628 68.215 68.868 -0.042 0.000 0.866 219 T HN 0.437 nan 8.240 nan 0.000 0.444 220 T N 3.602 118.118 114.554 -0.063 0.000 2.743 220 T HA 0.474 4.840 4.350 0.027 0.000 0.293 220 T C -0.223 174.429 174.700 -0.081 0.000 0.945 220 T CA -0.592 61.463 62.100 -0.075 0.000 1.030 220 T CB 0.728 69.567 68.868 -0.049 0.000 0.912 220 T HN 0.486 nan 8.240 nan 0.000 0.483 221 Q N 2.239 121.976 119.800 -0.104 0.000 2.534 221 Q HA 0.559 4.915 4.340 0.027 0.000 0.290 221 Q C -1.373 174.561 176.000 -0.110 0.000 0.991 221 Q CA -1.128 54.604 55.803 -0.119 0.000 0.783 221 Q CB 1.146 29.787 28.738 -0.160 0.000 1.470 221 Q HN 0.475 nan 8.270 nan 0.000 0.406 222 I N 2.656 123.132 120.570 -0.156 0.000 2.436 222 I HA 0.019 4.205 4.170 0.027 0.000 0.289 222 I C 0.841 176.848 176.117 -0.183 0.000 1.083 222 I CA 0.126 61.351 61.300 -0.125 0.000 1.372 222 I CB 1.017 38.911 38.000 -0.176 0.000 1.408 222 I HN 0.873 nan 8.210 nan 0.000 0.516 223 S N 2.715 118.427 115.700 0.020 0.000 2.502 223 S HA 0.200 4.686 4.470 0.027 0.000 0.215 223 S C 0.215 175.038 174.600 0.373 0.000 1.009 223 S CA -0.241 58.044 58.200 0.142 0.000 0.908 223 S CB 0.295 63.535 63.200 0.067 0.000 0.801 223 S HN 0.704 nan 8.310 nan 0.000 0.505 224 D N -0.287 120.314 120.400 0.336 0.000 2.683 224 D HA 0.516 5.172 4.640 0.027 0.000 0.246 224 D C -1.950 174.503 176.300 0.255 0.000 1.238 224 D CA -0.691 53.489 54.000 0.300 0.000 0.759 224 D CB 1.642 42.502 40.800 0.100 0.000 1.349 224 D HN 0.209 nan 8.370 nan 0.000 0.426 225 F N -0.597 119.377 119.950 0.041 0.000 2.635 225 F HA 0.601 5.144 4.527 0.027 0.000 0.314 225 F C -1.610 174.212 175.800 0.037 0.000 1.119 225 F CA -0.746 57.219 58.000 -0.059 0.000 1.000 225 F CB 1.130 40.156 39.000 0.044 0.000 1.278 225 F HN 0.249 nan 8.300 nan 0.000 0.446 226 H N 1.872 120.992 119.070 0.083 0.000 2.600 226 H HA 0.762 5.335 4.556 0.028 0.000 0.357 226 H C -1.320 174.040 175.328 0.055 0.000 1.106 226 H CA -1.515 54.520 56.048 -0.021 0.000 1.193 226 H CB 2.698 32.439 29.762 -0.035 0.000 1.594 226 H HN 0.618 nan 8.280 nan 0.000 0.526 227 V N 2.193 122.197 119.914 0.149 0.000 2.448 227 V HA 0.664 4.801 4.120 0.027 0.000 0.295 227 V C -0.211 175.875 176.094 -0.012 0.000 1.025 227 V CA -0.573 61.770 62.300 0.072 0.000 0.859 227 V CB 1.285 33.145 31.823 0.063 0.000 0.988 227 V HN 0.919 nan 8.190 nan 0.000 0.431 228 A N 3.291 126.081 122.820 -0.050 0.000 2.413 228 A HA 0.964 5.300 4.320 0.027 0.000 0.307 228 A C -0.130 177.349 177.584 -0.174 0.000 1.087 228 A CA -0.543 51.443 52.037 -0.085 0.000 0.750 228 A CB 1.963 20.933 19.000 -0.049 0.000 1.296 228 A HN 0.917 nan 8.150 nan 0.000 0.423 229 T N -0.598 113.834 114.554 -0.204 0.000 2.840 229 T HA 0.698 5.064 4.350 0.027 0.000 0.287 229 T C -0.492 173.979 174.700 -0.382 0.000 0.991 229 T CA -0.793 61.088 62.100 -0.365 0.000 0.964 229 T CB 1.065 69.607 68.868 -0.543 0.000 0.954 229 T HN 1.027 nan 8.240 nan 0.000 0.438 230 R N 1.798 122.001 120.500 -0.495 0.000 2.740 230 R HA 0.844 5.200 4.340 0.027 0.000 0.282 230 R C -1.679 174.240 176.300 -0.637 0.000 0.969 230 R CA -0.947 54.933 56.100 -0.367 0.000 0.918 230 R CB 1.304 31.526 30.300 -0.129 0.000 1.175 230 R HN 0.478 nan 8.270 nan 0.000 0.464 231 F N 0.588 120.521 119.950 -0.030 0.000 2.611 231 F HA 0.402 4.944 4.527 0.025 0.000 0.324 231 F C 0.229 175.892 175.800 -0.228 0.000 1.061 231 F CA -1.042 56.881 58.000 -0.128 0.000 0.954 231 F CB 1.419 40.242 39.000 -0.296 0.000 1.301 231 F HN 0.720 nan 8.300 nan 0.000 0.482 232 N N -0.068 118.608 118.700 -0.040 0.000 2.405 232 N HA 0.063 4.820 4.740 0.027 0.000 0.269 232 N C 0.398 175.762 175.510 -0.243 0.000 1.249 232 N CA -0.182 52.809 53.050 -0.097 0.000 0.974 232 N CB 0.140 38.601 38.487 -0.044 0.000 1.204 232 N HN 0.674 nan 8.380 nan 0.000 0.565 233 D N -1.151 119.156 120.400 -0.155 0.000 2.149 233 D HA -0.235 4.421 4.640 0.027 0.000 0.198 233 D C 0.432 176.643 176.300 -0.148 0.000 0.990 233 D CA 1.573 55.481 54.000 -0.154 0.000 0.839 233 D CB -0.508 40.264 40.800 -0.047 0.000 0.948 233 D HN 0.730 nan 8.370 nan 0.000 0.460 234 D N -1.570 118.796 120.400 -0.057 0.000 2.402 234 D HA 0.006 4.662 4.640 0.027 0.000 0.216 234 D C 0.135 176.592 176.300 0.262 0.000 1.128 234 D CA -0.804 53.273 54.000 0.128 0.000 0.833 234 D CB -0.873 40.002 40.800 0.124 0.000 0.971 234 D HN 0.232 nan 8.370 nan 0.000 0.503 235 F N 0.364 120.373 119.950 0.099 0.000 2.988 235 F HA -0.277 4.265 4.527 0.025 0.000 0.287 235 F C 1.562 177.443 175.800 0.135 0.000 0.781 235 F CA 0.766 58.835 58.000 0.115 0.000 1.221 235 F CB -2.557 36.392 39.000 -0.084 0.000 1.392 235 F HN 0.189 nan 8.300 nan 0.000 0.425 236 S N -1.039 114.773 115.700 0.188 0.000 2.548 236 S HA 0.305 4.791 4.470 0.027 0.000 0.215 236 S C 0.598 175.258 174.600 0.099 0.000 0.976 236 S CA -0.041 58.239 58.200 0.133 0.000 0.908 236 S CB 0.374 63.627 63.200 0.089 0.000 0.781 236 S HN 0.462 nan 8.310 nan 0.000 0.519 237 R N 0.173 120.739 120.500 0.109 0.000 2.651 237 R HA 0.802 5.159 4.340 0.027 0.000 0.278 237 R C -1.291 175.043 176.300 0.057 0.000 1.010 237 R CA -0.413 55.716 56.100 0.048 0.000 0.896 237 R CB 2.147 32.451 30.300 0.008 0.000 1.211 237 R HN 0.219 nan 8.270 nan 0.000 0.456 238 A N 1.639 124.434 122.820 -0.042 0.000 2.527 238 A HA 0.791 5.127 4.320 0.027 0.000 0.293 238 A C -1.261 176.241 177.584 -0.135 0.000 1.117 238 A CA -0.721 51.202 52.037 -0.191 0.000 0.723 238 A CB 2.092 20.962 19.000 -0.216 0.000 1.313 238 A HN 0.335 nan 8.150 nan 0.000 0.411 239 V N 1.280 121.090 119.914 -0.174 0.000 2.531 239 V HA 0.419 4.555 4.120 0.027 0.000 0.301 239 V C -0.580 175.454 176.094 -0.099 0.000 1.034 239 V CA -0.362 61.878 62.300 -0.100 0.000 0.865 239 V CB 1.457 33.220 31.823 -0.100 0.000 0.995 239 V HN 0.798 nan 8.190 nan 0.000 0.424 240 L N 4.928 126.134 121.223 -0.029 0.000 2.265 240 L HA 0.578 4.935 4.340 0.027 0.000 0.288 240 L C 0.144 176.977 176.870 -0.061 0.000 1.058 240 L CA 0.050 54.851 54.840 -0.065 0.000 0.809 240 L CB 0.923 42.984 42.059 0.003 0.000 1.179 240 L HN 0.846 nan 8.230 nan 0.000 0.429 241 E N 5.208 125.365 120.200 -0.072 0.000 2.145 241 E HA 0.642 5.008 4.350 0.027 0.000 0.270 241 E C -1.514 175.078 176.600 -0.013 0.000 0.906 241 E CA -0.840 55.536 56.400 -0.041 0.000 0.761 241 E CB 1.692 31.369 29.700 -0.039 0.000 1.116 241 E HN 0.701 nan 8.360 nan 0.000 0.408 242 A N 4.813 127.632 122.820 -0.001 0.000 2.310 242 A HA 0.276 4.612 4.320 0.027 0.000 0.304 242 A C -0.617 176.977 177.584 0.016 0.000 1.231 242 A CA -0.703 51.355 52.037 0.035 0.000 0.799 242 A CB 1.010 20.033 19.000 0.038 0.000 1.162 242 A HN 0.780 nan 8.150 nan 0.000 0.486 243 E N 2.633 122.847 120.200 0.024 0.000 2.200 243 E HA 0.512 4.878 4.350 0.027 0.000 0.283 243 E C -1.265 175.302 176.600 -0.055 0.000 1.015 243 E CA -0.306 56.072 56.400 -0.036 0.000 0.819 243 E CB 1.007 30.672 29.700 -0.057 0.000 1.081 243 E HN 0.372 nan 8.360 nan 0.000 0.397 244 V N 5.042 124.939 119.914 -0.029 0.000 2.540 244 V HA 0.275 4.411 4.120 0.027 0.000 0.302 244 V C -0.462 175.701 176.094 0.115 0.000 1.035 244 V CA -0.815 61.509 62.300 0.040 0.000 0.873 244 V CB 1.635 33.461 31.823 0.005 0.000 0.992 244 V HN 0.731 nan 8.190 nan 0.000 0.428 245 Q N 4.398 124.268 119.800 0.117 0.000 2.345 245 Q HA 0.837 5.193 4.340 0.027 0.000 0.268 245 Q C -0.818 175.255 176.000 0.122 0.000 1.054 245 Q CA -0.903 54.971 55.803 0.119 0.000 0.835 245 Q CB 2.670 31.408 28.738 -0.001 0.000 1.339 245 Q HN 0.805 nan 8.270 nan 0.000 0.447 246 M N -0.824 118.767 119.600 -0.015 0.000 2.662 246 M HA 0.740 5.236 4.480 0.027 0.000 0.310 246 M C -1.326 174.876 176.300 -0.163 0.000 1.204 246 M CA -0.494 54.717 55.300 -0.149 0.000 0.891 246 M CB 1.604 33.931 32.600 -0.455 0.000 1.732 246 M HN 0.538 nan 8.290 nan 0.000 0.467 247 C N 0.916 120.135 119.300 -0.136 0.000 2.667 247 C HA 1.037 5.513 4.460 0.027 0.000 0.323 247 C C 0.682 175.592 174.990 -0.133 0.000 1.214 247 C CA 0.627 59.578 59.018 -0.111 0.000 1.721 247 C CB 1.013 28.716 27.740 -0.062 0.000 2.275 247 C HN 1.400 nan 8.230 nan 0.000 0.491 248 G N 1.516 110.249 108.800 -0.112 0.000 2.483 248 G HA2 0.008 3.984 3.960 0.027 0.000 0.521 248 G HA3 0.008 3.984 3.960 0.027 0.000 0.521 248 G C -0.995 173.830 174.900 -0.125 0.000 1.278 248 G CA -0.450 44.586 45.100 -0.105 0.000 0.965 248 G HN 0.925 nan 8.290 nan 0.000 0.504 249 E N 0.132 120.267 120.200 -0.108 0.000 2.194 249 E HA 0.414 4.781 4.350 0.027 0.000 0.284 249 E C 0.376 176.872 176.600 -0.173 0.000 1.035 249 E CA -0.535 55.795 56.400 -0.116 0.000 0.836 249 E CB 0.371 30.028 29.700 -0.072 0.000 1.070 249 E HN 0.463 nan 8.360 nan 0.000 0.401 250 L N 5.140 126.250 121.223 -0.188 0.000 2.455 250 L HA 0.189 4.545 4.340 0.027 0.000 0.272 250 L C 0.515 177.248 176.870 -0.229 0.000 1.174 250 L CA 0.229 54.932 54.840 -0.229 0.000 0.869 250 L CB 0.248 42.197 42.059 -0.183 0.000 1.130 250 L HN 0.422 nan 8.230 nan 0.000 0.474 251 R N 1.842 122.149 120.500 -0.321 0.000 2.651 251 R HA 0.182 4.538 4.340 0.027 0.000 0.278 251 R C -0.197 175.854 176.300 -0.416 0.000 1.010 251 R CA -0.814 55.014 56.100 -0.453 0.000 0.896 251 R CB 1.622 31.360 30.300 -0.938 0.000 1.211 251 R HN 0.496 nan 8.270 nan 0.000 0.456 252 D N 0.967 121.218 120.400 -0.249 0.000 2.265 252 D HA -0.155 4.502 4.640 0.027 0.000 0.208 252 D C 1.487 177.739 176.300 -0.079 0.000 0.977 252 D CA 1.556 55.492 54.000 -0.108 0.000 0.871 252 D CB 0.049 40.839 40.800 -0.016 0.000 0.925 252 D HN 0.583 nan 8.370 nan 0.000 0.485 253 Y N -0.401 119.912 120.300 0.021 0.000 2.529 253 Y HA 0.264 4.830 4.550 0.027 0.000 0.290 253 Y C 0.672 176.579 175.900 0.011 0.000 1.177 253 Y CA -0.435 57.675 58.100 0.017 0.000 1.305 253 Y CB -0.885 37.586 38.460 0.017 0.000 1.047 253 Y HN -0.183 nan 8.280 nan 0.000 0.522 254 L N 2.529 123.665 121.223 -0.144 0.000 2.452 254 L HA 0.355 4.711 4.340 0.027 0.000 0.267 254 L C 0.281 177.136 176.870 -0.024 0.000 1.188 254 L CA -0.193 54.648 54.840 0.001 0.000 0.821 254 L CB 0.583 42.662 42.059 0.032 0.000 1.102 254 L HN 0.184 nan 8.230 nan 0.000 0.470 255 R N 1.449 121.830 120.500 -0.199 0.000 2.764 255 R HA 0.658 5.014 4.340 0.027 0.000 0.270 255 R C -1.634 174.318 176.300 -0.581 0.000 1.014 255 R CA -0.815 55.038 56.100 -0.412 0.000 0.904 255 R CB 2.147 32.120 30.300 -0.544 0.000 1.236 255 R HN 0.261 nan 8.270 nan 0.000 0.466 256 V N 0.995 120.612 119.914 -0.494 0.000 2.540 256 V HA 0.460 4.596 4.120 0.027 0.000 0.302 256 V C -0.364 175.669 176.094 -0.101 0.000 1.035 256 V CA -0.527 61.577 62.300 -0.328 0.000 0.873 256 V CB 2.235 33.796 31.823 -0.436 0.000 0.992 256 V HN 0.726 nan 8.190 nan 0.000 0.428 257 T N 4.148 118.761 114.554 0.098 0.000 2.792 257 T HA 0.599 4.965 4.350 0.027 0.000 0.280 257 T C -0.587 174.130 174.700 0.028 0.000 0.990 257 T CA -0.357 61.816 62.100 0.120 0.000 0.960 257 T CB 1.589 70.575 68.868 0.197 0.000 0.939 257 T HN 0.337 nan 8.240 nan 0.000 0.439 258 V N 3.952 123.863 119.914 -0.005 0.000 2.409 258 V HA 0.677 4.813 4.120 0.027 0.000 0.291 258 V C 0.036 176.133 176.094 0.004 0.000 1.020 258 V CA -0.748 61.546 62.300 -0.011 0.000 0.848 258 V CB 1.631 33.437 31.823 -0.028 0.000 0.990 258 V HN 1.045 nan 8.190 nan 0.000 0.430 259 S N 5.320 121.047 115.700 0.044 0.000 2.536 259 S HA 0.881 5.367 4.470 0.027 0.000 0.298 259 S C -1.121 173.515 174.600 0.059 0.000 1.083 259 S CA -0.780 57.428 58.200 0.013 0.000 0.995 259 S CB 2.197 65.424 63.200 0.046 0.000 1.058 259 S HN 0.568 nan 8.310 nan 0.000 0.488 260 L N 1.973 123.142 121.223 -0.090 0.000 2.362 260 L HA 0.826 5.183 4.340 0.027 0.000 0.275 260 L C -2.040 174.777 176.870 -0.087 0.000 0.998 260 L CA -0.303 54.577 54.840 0.067 0.000 0.820 260 L CB 1.156 43.266 42.059 0.085 0.000 1.270 260 L HN 0.904 nan 8.230 nan 0.000 0.415 261 W N 3.684 125.090 121.300 0.178 0.000 2.819 261 W HA 0.570 5.246 4.660 0.027 0.000 0.337 261 W C -0.623 175.986 176.519 0.149 0.000 1.077 261 W CA -0.456 56.967 57.345 0.131 0.000 1.226 261 W CB 1.426 30.913 29.460 0.046 0.000 1.419 261 W HN 0.381 nan 8.180 nan 0.000 0.502 262 Q N 2.744 122.694 119.800 0.249 0.000 2.413 262 Q HA 0.465 4.821 4.340 0.027 0.000 0.258 262 Q C 0.675 176.688 176.000 0.021 0.000 1.037 262 Q CA 0.585 56.343 55.803 -0.075 0.000 0.764 262 Q CB 0.933 29.518 28.738 -0.254 0.000 1.217 262 Q HN 0.830 nan 8.270 nan 0.000 0.490 263 G N 4.013 112.826 108.800 0.022 0.000 2.561 263 G HA2 -0.329 3.648 3.960 0.027 0.000 0.289 263 G HA3 -0.329 3.648 3.960 0.027 0.000 0.289 263 G C 0.425 175.400 174.900 0.125 0.000 1.169 263 G CA 0.344 45.467 45.100 0.038 0.000 0.980 263 G HN 0.654 nan 8.290 nan 0.000 0.550 264 E N 1.329 121.597 120.200 0.113 0.000 2.479 264 E HA 0.143 4.510 4.350 0.027 0.000 0.193 264 E C 0.465 177.254 176.600 0.315 0.000 1.049 264 E CA 0.692 57.189 56.400 0.162 0.000 0.870 264 E CB 0.081 29.821 29.700 0.067 0.000 0.944 264 E HN 0.441 nan 8.360 nan 0.000 0.492 265 T N 0.998 115.711 114.554 0.265 0.000 2.799 265 T HA 0.170 4.536 4.350 0.027 0.000 0.286 265 T C -0.019 174.707 174.700 0.044 0.000 0.973 265 T CA -0.385 61.810 62.100 0.158 0.000 1.035 265 T CB 2.020 70.920 68.868 0.053 0.000 0.932 265 T HN -0.019 nan 8.240 nan 0.000 0.469 266 Q N 2.720 122.321 119.800 -0.332 0.000 2.294 266 Q HA 0.310 4.666 4.340 0.027 0.000 0.257 266 Q C 0.236 175.995 176.000 -0.402 0.000 0.955 266 Q CA -0.376 54.913 55.803 -0.856 0.000 0.936 266 Q CB 0.913 28.876 28.738 -1.292 0.000 1.188 266 Q HN 0.558 nan 8.270 nan 0.000 0.420 267 V N 2.779 122.514 119.914 -0.299 0.000 2.685 267 V HA 0.271 4.407 4.120 0.027 0.000 0.244 267 V C 0.330 176.334 176.094 -0.151 0.000 1.054 267 V CA 1.289 63.512 62.300 -0.128 0.000 1.076 267 V CB 0.406 32.242 31.823 0.022 0.000 0.725 267 V HN 0.814 nan 8.190 nan 0.000 0.467 268 A N -1.259 121.441 122.820 -0.202 0.000 2.586 268 A HA 0.784 5.120 4.320 0.027 0.000 0.290 268 A C -0.813 176.667 177.584 -0.172 0.000 1.086 268 A CA 0.132 52.077 52.037 -0.154 0.000 0.665 268 A CB 1.827 20.771 19.000 -0.094 0.000 1.279 268 A HN 0.126 nan 8.150 nan 0.000 0.423 269 S N -1.130 114.497 115.700 -0.120 0.000 2.543 269 S HA 0.755 5.241 4.470 0.027 0.000 0.274 269 S C -0.645 173.919 174.600 -0.060 0.000 1.149 269 S CA 0.275 58.418 58.200 -0.095 0.000 0.866 269 S CB 1.498 64.629 63.200 -0.115 0.000 1.111 269 S HN 2.408 nan 8.310 nan 0.000 0.457 270 G N 1.637 110.413 108.800 -0.040 0.000 2.706 270 G HA2 0.655 4.632 3.960 0.027 0.000 0.297 270 G HA3 0.655 4.632 3.960 0.027 0.000 0.297 270 G C -1.383 173.504 174.900 -0.021 0.000 1.403 270 G CA -0.424 44.656 45.100 -0.034 0.000 0.954 270 G HN 0.730 nan 8.290 nan 0.000 0.500 271 T N -0.143 114.401 114.554 -0.017 0.000 2.893 271 T HA 0.850 5.216 4.350 0.027 0.000 0.293 271 T C -0.332 174.337 174.700 -0.051 0.000 1.027 271 T CA -0.051 62.044 62.100 -0.007 0.000 0.988 271 T CB 1.831 70.733 68.868 0.055 0.000 1.043 271 T HN 1.501 nan 8.240 nan 0.000 0.461 272 A N 3.381 126.137 122.820 -0.108 0.000 2.604 272 A HA 0.915 5.252 4.320 0.027 0.000 0.295 272 A C -3.088 174.369 177.584 -0.212 0.000 1.067 272 A CA -1.634 50.323 52.037 -0.134 0.000 0.683 272 A CB 1.413 20.330 19.000 -0.138 0.000 1.281 272 A HN 0.531 nan 8.150 nan 0.000 0.407 273 P HA 0.533 nan 4.420 nan 0.000 0.278 273 P C -0.600 176.595 177.300 -0.176 0.000 1.258 273 P CA -0.289 62.731 63.100 -0.135 0.000 0.811 273 P CB 0.428 32.107 31.700 -0.034 0.000 1.063 274 F N -0.044 119.863 119.950 -0.071 0.000 2.444 274 F HA 0.476 5.019 4.527 0.027 0.000 0.331 274 F C 1.454 177.235 175.800 -0.032 0.000 1.167 274 F CA 1.493 59.462 58.000 -0.052 0.000 1.262 274 F CB 0.340 39.303 39.000 -0.061 0.000 1.196 274 F HN 0.577 nan 8.300 nan 0.000 0.583 275 G N 1.390 110.322 108.800 0.220 0.000 2.648 275 G HA2 0.354 4.330 3.960 0.027 0.000 0.317 275 G HA3 0.354 4.330 3.960 0.027 0.000 0.317 275 G C -0.581 174.375 174.900 0.094 0.000 1.216 275 G CA -0.713 44.463 45.100 0.127 0.000 1.210 275 G HN 1.024 nan 8.290 nan 0.000 0.583 276 G N 0.767 109.642 108.800 0.126 0.000 2.528 276 G HA2 0.701 4.677 3.960 0.027 0.000 0.289 276 G HA3 0.701 4.677 3.960 0.027 0.000 0.289 276 G C 0.459 175.406 174.900 0.079 0.000 1.192 276 G CA 0.010 45.174 45.100 0.107 0.000 0.921 276 G HN 1.082 nan 8.290 nan 0.000 0.512 277 E N -0.299 119.939 120.200 0.063 0.000 2.422 277 E HA 0.014 4.381 4.350 0.027 0.000 0.260 277 E C -0.337 176.291 176.600 0.047 0.000 1.108 277 E CA -0.632 55.794 56.400 0.044 0.000 0.943 277 E CB 0.519 30.240 29.700 0.035 0.000 0.961 277 E HN 0.057 nan 8.360 nan 0.000 0.443 278 I N 2.738 123.322 120.570 0.023 0.000 2.752 278 I HA -0.160 4.026 4.170 0.027 0.000 0.289 278 I C 1.202 177.329 176.117 0.017 0.000 1.197 278 I CA 0.029 61.334 61.300 0.009 0.000 1.432 278 I CB -0.059 37.941 38.000 0.000 0.000 1.359 278 I HN 0.668 nan 8.210 nan 0.000 0.571 279 I N 4.271 124.844 120.570 0.005 0.000 3.039 279 I HA 0.056 4.242 4.170 0.027 0.000 0.270 279 I C 0.605 176.722 176.117 0.000 0.000 1.150 279 I CA 0.870 62.183 61.300 0.021 0.000 1.448 279 I CB -0.565 37.447 38.000 0.019 0.000 1.197 279 I HN 0.665 nan 8.210 nan 0.000 0.450 280 D N -1.508 118.878 120.400 -0.024 0.000 2.946 280 D HA 0.104 4.760 4.640 0.027 0.000 0.337 280 D C 0.410 176.694 176.300 -0.027 0.000 1.332 280 D CA -0.407 53.581 54.000 -0.020 0.000 0.935 280 D CB 0.479 41.266 40.800 -0.021 0.000 1.440 280 D HN -0.277 nan 8.370 nan 0.000 0.540 281 E N -0.952 119.234 120.200 -0.023 0.000 2.267 281 E HA -0.055 4.311 4.350 0.027 0.000 0.197 281 E C 1.408 177.989 176.600 -0.031 0.000 0.998 281 E CA 1.008 57.395 56.400 -0.022 0.000 0.830 281 E CB -0.046 29.643 29.700 -0.017 0.000 0.751 281 E HN 0.215 nan 8.360 nan 0.000 0.491 282 R N -0.349 120.124 120.500 -0.045 0.000 2.317 282 R HA 0.271 4.627 4.340 0.027 0.000 0.208 282 R C 0.877 177.135 176.300 -0.070 0.000 0.914 282 R CA 0.735 56.800 56.100 -0.057 0.000 1.060 282 R CB 0.540 30.800 30.300 -0.068 0.000 1.015 282 R HN 0.218 nan 8.270 nan 0.000 0.498 283 G N -0.667 108.093 108.800 -0.067 0.000 2.384 283 G HA2 -0.098 3.878 3.960 0.027 0.000 0.200 283 G HA3 -0.098 3.878 3.960 0.027 0.000 0.200 283 G C -0.274 174.572 174.900 -0.090 0.000 1.205 283 G CA -0.619 44.441 45.100 -0.066 0.000 1.116 283 G HN 0.455 nan 8.290 nan 0.000 0.547 284 G N -1.919 106.826 108.800 -0.093 0.000 3.140 284 G HA2 0.642 4.619 3.960 0.027 0.000 0.271 284 G HA3 0.642 4.619 3.960 0.027 0.000 0.271 284 G C -1.520 173.276 174.900 -0.173 0.000 1.370 284 G CA -0.762 44.287 45.100 -0.086 0.000 1.014 284 G HN 0.747 nan 8.290 nan 0.000 0.541 285 Y N 0.968 121.280 120.300 0.020 0.000 2.477 285 Y HA 0.412 4.977 4.550 0.026 0.000 0.349 285 Y C 1.452 177.372 175.900 0.034 0.000 0.977 285 Y CA 0.105 58.218 58.100 0.023 0.000 1.214 285 Y CB 1.689 40.169 38.460 0.034 0.000 1.124 285 Y HN 0.539 nan 8.280 nan 0.000 0.521 286 A N 1.764 124.648 122.820 0.106 0.000 2.119 286 A HA -0.141 4.195 4.320 0.027 0.000 0.217 286 A C 1.334 178.972 177.584 0.090 0.000 1.153 286 A CA 1.355 53.439 52.037 0.079 0.000 0.692 286 A CB -0.283 18.724 19.000 0.012 0.000 0.799 286 A HN 0.791 nan 8.150 nan 0.000 0.458 287 D N -0.787 119.665 120.400 0.085 0.000 2.395 287 D HA 0.146 4.802 4.640 0.027 0.000 0.226 287 D C 0.457 176.824 176.300 0.113 0.000 1.146 287 D CA -0.038 53.928 54.000 -0.056 0.000 0.830 287 D CB -0.045 40.708 40.800 -0.079 0.000 0.958 287 D HN 0.395 nan 8.370 nan 0.000 0.501 288 R N -0.866 119.836 120.500 0.336 0.000 2.799 288 R HA 0.746 5.102 4.340 0.027 0.000 0.270 288 R C -1.636 174.837 176.300 0.288 0.000 1.010 288 R CA -1.148 55.154 56.100 0.336 0.000 0.916 288 R CB 2.994 33.353 30.300 0.098 0.000 1.228 288 R HN -0.018 nan 8.270 nan 0.000 0.469 289 V N 0.295 120.257 119.914 0.080 0.000 3.048 289 V HA 0.520 4.656 4.120 0.027 0.000 0.303 289 V C -1.517 174.531 176.094 -0.077 0.000 1.214 289 V CA -0.289 61.967 62.300 -0.074 0.000 0.984 289 V CB 2.769 34.407 31.823 -0.309 0.000 1.054 289 V HN 0.813 nan 8.190 nan 0.000 0.430 290 T N 7.258 121.776 114.554 -0.059 0.000 2.786 290 T HA 0.578 4.945 4.350 0.027 0.000 0.283 290 T C -0.908 173.758 174.700 -0.057 0.000 0.992 290 T CA -0.386 61.686 62.100 -0.046 0.000 0.954 290 T CB 1.009 69.864 68.868 -0.021 0.000 0.934 290 T HN 0.435 nan 8.240 nan 0.000 0.440 291 L N 3.658 124.846 121.223 -0.058 0.000 2.322 291 L HA 0.582 4.939 4.340 0.027 0.000 0.279 291 L C 0.456 177.302 176.870 -0.040 0.000 1.036 291 L CA -0.469 54.338 54.840 -0.056 0.000 0.807 291 L CB 1.367 43.390 42.059 -0.059 0.000 1.226 291 L HN 0.537 nan 8.230 nan 0.000 0.433 292 R N 4.404 124.880 120.500 -0.039 0.000 2.439 292 R HA 0.655 5.011 4.340 0.027 0.000 0.310 292 R C -1.194 175.084 176.300 -0.037 0.000 0.955 292 R CA -0.729 55.349 56.100 -0.037 0.000 0.853 292 R CB 2.015 32.293 30.300 -0.037 0.000 1.171 292 R HN 0.474 nan 8.270 nan 0.000 0.449 293 L N 2.852 124.055 121.223 -0.034 0.000 2.333 293 L HA 0.426 4.783 4.340 0.027 0.000 0.280 293 L C -0.306 176.543 176.870 -0.035 0.000 1.004 293 L CA -0.970 53.850 54.840 -0.034 0.000 0.820 293 L CB 1.952 43.996 42.059 -0.024 0.000 1.247 293 L HN 0.507 nan 8.230 nan 0.000 0.416 294 N N 1.566 120.238 118.700 -0.046 0.000 2.514 294 N HA 0.438 5.194 4.740 0.027 0.000 0.277 294 N C -1.070 174.396 175.510 -0.073 0.000 1.126 294 N CA -0.285 52.732 53.050 -0.055 0.000 0.978 294 N CB 1.682 40.139 38.487 -0.051 0.000 1.106 294 N HN 0.202 nan 8.380 nan 0.000 0.461 295 V N 1.726 121.580 119.914 -0.099 0.000 2.482 295 V HA 0.271 4.407 4.120 0.027 0.000 0.295 295 V C -0.498 175.513 176.094 -0.138 0.000 1.026 295 V CA -0.849 61.352 62.300 -0.165 0.000 0.856 295 V CB 1.522 33.137 31.823 -0.346 0.000 1.001 295 V HN 0.567 nan 8.190 nan 0.000 0.424 296 E N 2.804 122.947 120.200 -0.095 0.000 2.266 296 E HA 0.364 4.730 4.350 0.027 0.000 0.277 296 E C 0.227 176.800 176.600 -0.044 0.000 1.018 296 E CA -0.498 55.871 56.400 -0.052 0.000 0.840 296 E CB 0.854 30.535 29.700 -0.032 0.000 1.082 296 E HN 0.748 nan 8.360 nan 0.000 0.395 297 N N 0.784 119.479 118.700 -0.007 0.000 2.725 297 N HA -0.150 4.606 4.740 0.027 0.000 0.251 297 N C -2.484 173.026 175.510 -0.001 0.000 1.031 297 N CA 0.238 53.299 53.050 0.018 0.000 0.720 297 N CB -1.193 37.309 38.487 0.024 0.000 0.930 297 N HN 0.317 nan 8.380 nan 0.000 0.543 298 P HA -0.032 nan 4.420 nan 0.000 0.267 298 P C -0.415 176.916 177.300 0.052 0.000 1.200 298 P CA 0.476 63.474 63.100 -0.170 0.000 0.772 298 P CB 0.671 32.117 31.700 -0.425 0.000 0.855 299 K N 2.777 123.303 120.400 0.210 0.000 2.316 299 K HA 0.288 4.624 4.320 0.027 0.000 0.289 299 K C 0.268 177.041 176.600 0.288 0.000 1.070 299 K CA -0.433 55.975 56.287 0.202 0.000 0.928 299 K CB 0.231 32.825 32.500 0.156 0.000 1.039 299 K HN 0.418 nan 8.250 nan 0.000 0.480 300 L N 2.546 123.864 121.223 0.158 0.000 2.417 300 L HA 0.240 4.596 4.340 0.027 0.000 0.268 300 L C 0.054 177.012 176.870 0.147 0.000 1.158 300 L CA -0.665 54.264 54.840 0.148 0.000 0.819 300 L CB 0.343 42.322 42.059 -0.134 0.000 1.112 300 L HN 0.614 nan 8.230 nan 0.000 0.458 301 W N 3.250 124.581 121.300 0.052 0.000 2.376 301 W HA 0.466 5.141 4.660 0.025 0.000 0.322 301 W C 0.004 176.472 176.519 -0.086 0.000 1.160 301 W CA 0.108 57.471 57.345 0.029 0.000 1.218 301 W CB 1.327 30.857 29.460 0.117 0.000 1.205 301 W HN 0.609 nan 8.180 nan 0.000 0.559 302 S N 2.838 118.008 115.700 -0.883 0.000 2.615 302 S HA 0.623 5.110 4.470 0.027 0.000 0.269 302 S C 0.033 173.849 174.600 -1.307 0.000 1.161 302 S CA -0.364 57.365 58.200 -0.783 0.000 0.817 302 S CB 1.083 64.092 63.200 -0.318 0.000 1.131 302 S HN 1.020 nan 8.310 nan 0.000 0.467 303 A N 0.458 122.686 122.820 -0.987 0.000 2.067 303 A HA 0.077 4.413 4.320 0.027 0.000 0.219 303 A C 1.736 178.999 177.584 -0.534 0.000 1.158 303 A CA 1.399 52.869 52.037 -0.945 0.000 0.661 303 A CB -0.915 17.400 19.000 -1.142 0.000 0.801 303 A HN 0.870 nan 8.150 nan 0.000 0.452 304 E N -0.757 119.266 120.200 -0.295 0.000 2.072 304 E HA 0.060 4.426 4.350 0.027 0.000 0.190 304 E C -0.192 176.270 176.600 -0.230 0.000 0.982 304 E CA 0.710 56.998 56.400 -0.187 0.000 0.803 304 E CB 0.033 29.756 29.700 0.038 0.000 0.755 304 E HN 0.576 nan 8.360 nan 0.000 0.453 305 I N 1.801 122.209 120.570 -0.269 0.000 2.560 305 I HA 0.145 4.332 4.170 0.027 0.000 0.278 305 I C -2.496 173.401 176.117 -0.367 0.000 1.089 305 I CA -1.835 59.327 61.300 -0.230 0.000 1.086 305 I CB 2.296 40.215 38.000 -0.135 0.000 1.202 305 I HN -0.204 nan 8.210 nan 0.000 0.471 306 P HA 0.064 nan 4.420 nan 0.000 0.226 306 P C -0.563 176.730 177.300 -0.012 0.000 1.783 306 P CA -0.174 62.622 63.100 -0.507 0.000 0.980 306 P CB -0.290 31.280 31.700 -0.217 0.000 1.967 307 N N 1.661 120.378 118.700 0.028 0.000 2.483 307 N HA 0.145 4.902 4.740 0.027 0.000 0.264 307 N C 0.093 175.830 175.510 0.377 0.000 1.197 307 N CA 0.382 53.525 53.050 0.155 0.000 0.927 307 N CB 0.900 39.474 38.487 0.145 0.000 1.065 307 N HN 0.299 nan 8.380 nan 0.000 0.461 308 L N 2.279 123.645 121.223 0.238 0.000 2.388 308 L HA 0.470 4.826 4.340 0.027 0.000 0.264 308 L C -0.839 176.122 176.870 0.152 0.000 0.998 308 L CA -0.854 54.169 54.840 0.306 0.000 0.817 308 L CB 1.288 43.490 42.059 0.239 0.000 1.338 308 L HN 0.390 nan 8.230 nan 0.000 0.414 309 Y N 0.372 120.828 120.300 0.260 0.000 2.631 309 Y HA 0.656 5.222 4.550 0.027 0.000 0.328 309 Y C -0.161 175.860 175.900 0.203 0.000 1.118 309 Y CA -0.904 57.349 58.100 0.255 0.000 1.206 309 Y CB 1.505 40.182 38.460 0.362 0.000 1.337 309 Y HN 0.375 nan 8.280 nan 0.000 0.515 310 R N 0.923 121.654 120.500 0.385 0.000 2.439 310 R HA 0.773 5.130 4.340 0.027 0.000 0.310 310 R C -1.572 174.911 176.300 0.305 0.000 0.955 310 R CA -0.504 55.753 56.100 0.262 0.000 0.853 310 R CB 0.993 31.379 30.300 0.143 0.000 1.171 310 R HN 0.738 nan 8.270 nan 0.000 0.449 311 A N 3.929 126.873 122.820 0.206 0.000 2.274 311 A HA 0.583 4.919 4.320 0.027 0.000 0.309 311 A C -0.899 176.733 177.584 0.079 0.000 1.226 311 A CA -0.571 51.561 52.037 0.159 0.000 0.853 311 A CB 1.039 20.104 19.000 0.108 0.000 1.146 311 A HN 0.489 nan 8.150 nan 0.000 0.518 312 V N 3.673 123.639 119.914 0.088 0.000 2.448 312 V HA 0.398 4.534 4.120 0.027 0.000 0.295 312 V C -0.390 175.675 176.094 -0.047 0.000 1.025 312 V CA -0.470 61.826 62.300 -0.008 0.000 0.859 312 V CB 1.675 33.514 31.823 0.026 0.000 0.988 312 V HN 0.622 nan 8.190 nan 0.000 0.431 313 V N 4.788 124.609 119.914 -0.154 0.000 2.357 313 V HA 0.454 4.590 4.120 0.027 0.000 0.284 313 V C -0.119 175.919 176.094 -0.092 0.000 1.018 313 V CA -0.592 61.604 62.300 -0.174 0.000 0.841 313 V CB 1.417 32.995 31.823 -0.408 0.000 0.991 313 V HN 0.915 nan 8.190 nan 0.000 0.437 314 E N 3.609 123.808 120.200 -0.002 0.000 2.183 314 E HA 0.551 4.917 4.350 0.027 0.000 0.271 314 E C -1.168 175.527 176.600 0.158 0.000 0.919 314 E CA -0.897 55.553 56.400 0.084 0.000 0.781 314 E CB 2.578 32.354 29.700 0.126 0.000 1.140 314 E HN 0.458 nan 8.360 nan 0.000 0.402 315 L N 4.410 125.707 121.223 0.123 0.000 2.287 315 L HA 0.431 4.787 4.340 0.027 0.000 0.287 315 L C -1.042 175.925 176.870 0.161 0.000 1.022 315 L CA 0.066 54.957 54.840 0.085 0.000 0.814 315 L CB 0.189 42.288 42.059 0.066 0.000 1.217 315 L HN 0.708 nan 8.230 nan 0.000 0.420 316 H N 0.145 119.254 119.070 0.065 0.000 2.905 316 H HA 0.785 5.357 4.556 0.027 0.000 0.280 316 H C -0.789 174.609 175.328 0.117 0.000 1.445 316 H CA -0.528 55.563 56.048 0.072 0.000 1.165 316 H CB 0.676 30.462 29.762 0.041 0.000 1.857 316 H HN 0.496 nan 8.280 nan 0.000 0.567 317 T N -2.243 112.472 114.554 0.268 0.000 2.927 317 T HA 0.576 4.942 4.350 0.027 0.000 0.281 317 T C 1.341 176.198 174.700 0.262 0.000 0.998 317 T CA -0.413 61.836 62.100 0.249 0.000 1.019 317 T CB 1.603 70.575 68.868 0.173 0.000 1.061 317 T HN 0.920 nan 8.240 nan 0.000 0.518 318 A N 1.008 123.951 122.820 0.204 0.000 1.972 318 A HA -0.063 4.273 4.320 0.027 0.000 0.219 318 A C 1.832 179.490 177.584 0.124 0.000 1.169 318 A CA 1.792 53.926 52.037 0.161 0.000 0.635 318 A CB -1.191 17.888 19.000 0.132 0.000 0.810 318 A HN 1.004 nan 8.150 nan 0.000 0.446 319 D N -2.143 118.304 120.400 0.078 0.000 2.371 319 D HA 0.242 4.898 4.640 0.027 0.000 0.221 319 D C 1.150 177.476 176.300 0.044 0.000 0.986 319 D CA 1.144 55.165 54.000 0.034 0.000 0.899 319 D CB -0.469 40.321 40.800 -0.017 0.000 0.902 319 D HN 0.813 nan 8.370 nan 0.000 0.530 320 G N -1.306 107.551 108.800 0.096 0.000 2.163 320 G HA2 -0.217 3.759 3.960 0.027 0.000 0.213 320 G HA3 -0.217 3.759 3.960 0.027 0.000 0.213 320 G C 0.212 175.134 174.900 0.036 0.000 0.991 320 G CA 0.118 45.247 45.100 0.048 0.000 0.653 320 G HN 0.440 nan 8.290 nan 0.000 0.518 321 T N 1.345 115.941 114.554 0.070 0.000 2.817 321 T HA 0.539 4.905 4.350 0.027 0.000 0.293 321 T C 0.279 175.037 174.700 0.097 0.000 0.964 321 T CA -0.234 61.897 62.100 0.053 0.000 1.085 321 T CB 2.044 70.934 68.868 0.037 0.000 0.921 321 T HN 0.548 nan 8.240 nan 0.000 0.502 322 L N 4.270 125.529 121.223 0.061 0.000 2.380 322 L HA 0.382 4.738 4.340 0.027 0.000 0.273 322 L C 0.725 177.647 176.870 0.086 0.000 1.138 322 L CA 0.297 55.190 54.840 0.088 0.000 0.832 322 L CB 0.181 42.264 42.059 0.039 0.000 1.124 322 L HN 0.705 nan 8.230 nan 0.000 0.454 323 I N 2.334 122.967 120.570 0.105 0.000 2.512 323 I HA 0.136 4.322 4.170 0.027 0.000 0.247 323 I C 0.233 176.376 176.117 0.043 0.000 1.094 323 I CA 0.468 61.810 61.300 0.070 0.000 1.427 323 I CB 0.112 38.156 38.000 0.074 0.000 1.149 323 I HN 0.803 nan 8.210 nan 0.000 0.438 324 E N 0.113 120.339 120.200 0.045 0.000 2.422 324 E HA 0.699 5.066 4.350 0.027 0.000 0.280 324 E C -1.534 175.090 176.600 0.041 0.000 1.091 324 E CA -1.101 55.317 56.400 0.030 0.000 0.849 324 E CB 1.600 31.283 29.700 -0.027 0.000 1.353 324 E HN -0.011 nan 8.360 nan 0.000 0.449 325 A N 0.987 123.855 122.820 0.079 0.000 2.414 325 A HA 0.717 5.053 4.320 0.027 0.000 0.306 325 A C -0.952 176.738 177.584 0.177 0.000 1.054 325 A CA -0.693 51.397 52.037 0.089 0.000 0.724 325 A CB 1.677 20.737 19.000 0.101 0.000 1.267 325 A HN 0.500 nan 8.150 nan 0.000 0.418 326 E N -0.377 119.853 120.200 0.049 0.000 2.370 326 E HA 0.880 5.246 4.350 0.027 0.000 0.259 326 E C -0.417 176.209 176.600 0.043 0.000 0.947 326 E CA -0.365 56.113 56.400 0.130 0.000 0.809 326 E CB 2.310 31.950 29.700 -0.100 0.000 1.300 326 E HN 1.310 nan 8.360 nan 0.000 0.419 327 A N -0.371 122.566 122.820 0.196 0.000 2.544 327 A HA 0.662 4.998 4.320 0.027 0.000 0.291 327 A C -1.281 176.485 177.584 0.302 0.000 1.055 327 A CA -0.272 51.812 52.037 0.078 0.000 0.651 327 A CB 0.457 19.449 19.000 -0.013 0.000 1.296 327 A HN 0.887 nan 8.150 nan 0.000 0.431 328 C N -0.722 118.714 119.300 0.226 0.000 3.311 328 C HA 0.820 5.296 4.460 0.027 0.000 0.325 328 C C -1.367 173.718 174.990 0.158 0.000 1.352 328 C CA -0.915 58.245 59.018 0.236 0.000 1.308 328 C CB 1.082 28.984 27.740 0.269 0.000 1.619 328 C HN 0.829 nan 8.230 nan 0.000 0.469 329 D N 0.943 121.422 120.400 0.131 0.000 2.302 329 D HA 0.568 5.224 4.640 0.027 0.000 0.248 329 D C -0.393 175.964 176.300 0.095 0.000 1.094 329 D CA 0.176 54.254 54.000 0.130 0.000 0.897 329 D CB 1.828 42.708 40.800 0.133 0.000 1.200 329 D HN 0.552 nan 8.370 nan 0.000 0.429 330 V N 1.098 121.098 119.914 0.142 0.000 2.540 330 V HA 0.666 4.802 4.120 0.027 0.000 0.302 330 V C 0.513 176.682 176.094 0.125 0.000 1.035 330 V CA -0.856 61.477 62.300 0.054 0.000 0.873 330 V CB 2.099 33.940 31.823 0.030 0.000 0.992 330 V HN 0.607 nan 8.190 nan 0.000 0.428 331 G N 3.075 111.839 108.800 -0.059 0.000 2.502 331 G HA2 0.595 4.571 3.960 0.027 0.000 0.311 331 G HA3 0.595 4.571 3.960 0.027 0.000 0.311 331 G C -0.966 173.999 174.900 0.108 0.000 1.270 331 G CA -0.383 44.758 45.100 0.068 0.000 0.948 331 G HN 0.438 nan 8.290 nan 0.000 0.487 332 F N 4.191 124.332 119.950 0.319 0.000 2.468 332 F HA 0.405 4.948 4.527 0.027 0.000 0.356 332 F C 1.168 177.215 175.800 0.412 0.000 1.167 332 F CA -0.023 58.230 58.000 0.422 0.000 1.135 332 F CB 0.571 39.825 39.000 0.422 0.000 1.197 332 F HN 0.445 nan 8.300 nan 0.000 0.569 333 R N 3.136 123.915 120.500 0.465 0.000 2.629 333 R HA 0.412 4.768 4.340 0.027 0.000 0.266 333 R C -1.848 174.612 176.300 0.267 0.000 1.051 333 R CA -0.783 55.435 56.100 0.195 0.000 0.895 333 R CB 1.593 32.050 30.300 0.261 0.000 1.246 333 R HN 0.571 nan 8.270 nan 0.000 0.459 334 E N 2.131 122.400 120.200 0.115 0.000 2.199 334 E HA 0.491 4.857 4.350 0.027 0.000 0.269 334 E C -1.236 175.439 176.600 0.125 0.000 0.899 334 E CA -0.946 55.602 56.400 0.246 0.000 0.772 334 E CB 2.217 32.163 29.700 0.410 0.000 1.155 334 E HN 0.396 nan 8.360 nan 0.000 0.408 335 V N 5.278 125.259 119.914 0.112 0.000 2.448 335 V HA 0.583 4.719 4.120 0.027 0.000 0.295 335 V C -0.211 175.926 176.094 0.071 0.000 1.025 335 V CA -0.623 61.712 62.300 0.059 0.000 0.859 335 V CB 1.317 33.152 31.823 0.020 0.000 0.988 335 V HN 0.739 nan 8.190 nan 0.000 0.431 336 R N 4.388 124.925 120.500 0.062 0.000 2.663 336 R HA 0.700 5.056 4.340 0.027 0.000 0.267 336 R C -2.225 174.103 176.300 0.047 0.000 1.038 336 R CA -0.892 55.248 56.100 0.066 0.000 0.886 336 R CB 1.911 32.266 30.300 0.092 0.000 1.249 336 R HN 0.538 nan 8.270 nan 0.000 0.463 337 I N 1.400 121.997 120.570 0.045 0.000 2.378 337 I HA 0.366 4.552 4.170 0.027 0.000 0.291 337 I C -0.675 175.465 176.117 0.039 0.000 0.992 337 I CA -0.498 60.823 61.300 0.034 0.000 1.154 337 I CB 1.963 39.985 38.000 0.036 0.000 1.315 337 I HN 0.710 nan 8.210 nan 0.000 0.448 338 E N 5.607 125.826 120.200 0.032 0.000 2.290 338 E HA 0.259 4.625 4.350 0.027 0.000 0.274 338 E C -0.223 176.392 176.600 0.024 0.000 0.889 338 E CA -0.546 55.875 56.400 0.035 0.000 0.760 338 E CB 1.109 30.836 29.700 0.045 0.000 1.206 338 E HN 0.533 nan 8.360 nan 0.000 0.419 339 N N 3.036 121.750 118.700 0.024 0.000 2.708 339 N HA -0.244 4.512 4.740 0.027 0.000 0.249 339 N C 0.429 175.946 175.510 0.011 0.000 1.097 339 N CA 2.166 55.227 53.050 0.017 0.000 0.710 339 N CB -1.129 37.367 38.487 0.015 0.000 1.032 339 N HN 0.971 nan 8.380 nan 0.000 0.551 340 G N -2.498 106.309 108.800 0.012 0.000 2.175 340 G HA2 -0.257 3.719 3.960 0.027 0.000 0.244 340 G HA3 -0.257 3.719 3.960 0.027 0.000 0.244 340 G C -0.146 174.750 174.900 -0.007 0.000 0.982 340 G CA 0.363 45.466 45.100 0.004 0.000 0.641 340 G HN 0.442 nan 8.290 nan 0.000 0.527 341 L N 0.001 121.220 121.223 -0.006 0.000 2.362 341 L HA 0.719 5.075 4.340 0.027 0.000 0.271 341 L C -0.029 176.830 176.870 -0.018 0.000 1.002 341 L CA -1.326 53.501 54.840 -0.021 0.000 0.818 341 L CB 1.972 44.019 42.059 -0.020 0.000 1.298 341 L HN 0.093 nan 8.230 nan 0.000 0.420 342 L N 4.077 125.277 121.223 -0.038 0.000 2.278 342 L HA 0.432 4.789 4.340 0.027 0.000 0.287 342 L C -0.855 175.988 176.870 -0.044 0.000 1.072 342 L CA 0.369 55.187 54.840 -0.038 0.000 0.819 342 L CB 0.320 42.343 42.059 -0.060 0.000 1.176 342 L HN 0.367 nan 8.230 nan 0.000 0.435 343 L N 6.020 127.233 121.223 -0.016 0.000 2.334 343 L HA 0.541 4.897 4.340 0.027 0.000 0.276 343 L C -0.802 176.066 176.870 -0.004 0.000 1.014 343 L CA -0.820 54.017 54.840 -0.005 0.000 0.815 343 L CB 1.855 43.935 42.059 0.035 0.000 1.268 343 L HN 0.533 nan 8.230 nan 0.000 0.428 344 L N 4.118 125.344 121.223 0.005 0.000 2.343 344 L HA 0.490 4.846 4.340 0.027 0.000 0.278 344 L C -0.206 176.660 176.870 -0.007 0.000 0.996 344 L CA 0.019 54.867 54.840 0.014 0.000 0.831 344 L CB 0.858 42.929 42.059 0.020 0.000 1.232 344 L HN 0.613 nan 8.230 nan 0.000 0.413 345 N N 4.047 122.592 118.700 -0.260 0.000 2.735 345 N HA -0.213 4.543 4.740 0.027 0.000 0.248 345 N C 0.909 176.002 175.510 -0.695 0.000 1.083 345 N CA 1.298 53.834 53.050 -0.858 0.000 0.703 345 N CB -1.399 36.514 38.487 -0.957 0.000 1.005 345 N HN 1.192 nan 8.380 nan 0.000 0.550 346 G N -2.031 106.673 108.800 -0.160 0.000 2.179 346 G HA2 -0.353 3.623 3.960 0.027 0.000 0.260 346 G HA3 -0.353 3.623 3.960 0.027 0.000 0.260 346 G C -0.058 174.867 174.900 0.040 0.000 0.977 346 G CA 0.948 46.093 45.100 0.075 0.000 0.641 346 G HN 0.417 nan 8.290 nan 0.000 0.533 347 K N 0.754 121.166 120.400 0.020 0.000 2.259 347 K HA 0.545 4.881 4.320 0.027 0.000 0.249 347 K C -2.829 173.741 176.600 -0.050 0.000 0.942 347 K CA -2.229 54.038 56.287 -0.034 0.000 0.816 347 K CB 2.563 34.973 32.500 -0.149 0.000 1.155 347 K HN 0.058 nan 8.250 nan 0.000 0.428 348 P HA 0.197 nan 4.420 nan 0.000 0.276 348 P C -0.120 177.114 177.300 -0.111 0.000 1.253 348 P CA -0.242 62.809 63.100 -0.081 0.000 0.766 348 P CB 0.474 32.131 31.700 -0.072 0.000 0.845 349 L N 3.412 124.565 121.223 -0.117 0.000 2.464 349 L HA 0.266 4.622 4.340 0.027 0.000 0.264 349 L C 0.721 177.507 176.870 -0.139 0.000 1.199 349 L CA -0.486 54.273 54.840 -0.135 0.000 0.818 349 L CB 0.193 42.131 42.059 -0.202 0.000 1.102 349 L HN 0.274 nan 8.230 nan 0.000 0.473 350 L N 3.599 124.756 121.223 -0.110 0.000 2.442 350 L HA 0.405 4.762 4.340 0.027 0.000 0.261 350 L C -0.558 176.265 176.870 -0.079 0.000 1.000 350 L CA -0.226 54.535 54.840 -0.131 0.000 0.882 350 L CB 0.744 42.752 42.059 -0.086 0.000 1.207 350 L HN 0.247 nan 8.230 nan 0.000 0.443 351 I N 4.376 124.834 120.570 -0.187 0.000 2.494 351 I HA 0.159 4.345 4.170 0.027 0.000 0.289 351 I C 0.612 176.701 176.117 -0.047 0.000 1.106 351 I CA 0.292 61.504 61.300 -0.148 0.000 1.369 351 I CB 0.297 38.088 38.000 -0.348 0.000 1.410 351 I HN 0.542 nan 8.210 nan 0.000 0.523 352 R N 4.795 125.352 120.500 0.094 0.000 2.755 352 R HA 0.445 4.802 4.340 0.027 0.000 0.268 352 R C 0.530 176.953 176.300 0.204 0.000 1.295 352 R CA -0.265 55.935 56.100 0.167 0.000 1.379 352 R CB 0.833 31.047 30.300 -0.143 0.000 1.170 352 R HN 0.770 nan 8.270 nan 0.000 0.584 353 G N 0.175 109.055 108.800 0.134 0.000 2.509 353 G HA2 0.586 4.563 3.960 0.027 0.000 0.328 353 G HA3 0.586 4.563 3.960 0.027 0.000 0.328 353 G C -1.281 173.911 174.900 0.487 0.000 1.194 353 G CA -0.472 44.695 45.100 0.110 0.000 0.967 353 G HN 0.251 nan 8.290 nan 0.000 0.488 354 V N 0.084 120.272 119.914 0.456 0.000 3.012 354 V HA 0.462 4.598 4.120 0.027 0.000 0.307 354 V C -1.089 175.153 176.094 0.247 0.000 1.166 354 V CA -1.234 61.226 62.300 0.268 0.000 0.974 354 V CB 2.187 33.883 31.823 -0.213 0.000 1.040 354 V HN 0.756 nan 8.190 nan 0.000 0.428 355 N N 4.301 123.061 118.700 0.100 0.000 2.530 355 N HA 0.404 5.161 4.740 0.027 0.000 0.273 355 N C -0.658 174.658 175.510 -0.323 0.000 1.173 355 N CA -0.169 52.787 53.050 -0.157 0.000 0.967 355 N CB 1.272 39.562 38.487 -0.328 0.000 1.109 355 N HN 0.632 nan 8.380 nan 0.000 0.453 356 R N 2.026 122.308 120.500 -0.363 0.000 2.510 356 R HA 0.200 4.556 4.340 0.027 0.000 0.294 356 R C -0.965 175.111 176.300 -0.373 0.000 1.056 356 R CA -0.544 55.371 56.100 -0.309 0.000 0.918 356 R CB 0.808 30.912 30.300 -0.326 0.000 1.187 356 R HN 0.600 nan 8.270 nan 0.000 0.437 357 H N 1.988 120.929 119.070 -0.215 0.000 2.546 357 H HA 0.142 4.715 4.556 0.028 0.000 0.365 357 H C -0.482 174.856 175.328 0.017 0.000 1.220 357 H CA 0.074 56.088 56.048 -0.056 0.000 1.386 357 H CB 1.397 31.194 29.762 0.058 0.000 1.510 357 H HN 0.548 nan 8.280 nan 0.000 0.591 358 E N 1.654 122.058 120.200 0.340 0.000 2.001 358 E HA 0.115 4.481 4.350 0.027 0.000 0.279 358 E C -0.793 175.964 176.600 0.262 0.000 1.045 358 E CA -0.015 56.508 56.400 0.205 0.000 0.833 358 E CB 0.282 30.129 29.700 0.245 0.000 1.077 358 E HN 0.372 nan 8.360 nan 0.000 0.397 359 H N 1.702 120.843 119.070 0.118 0.000 2.954 359 H HA 0.259 4.831 4.556 0.027 0.000 0.361 359 H C -1.728 173.664 175.328 0.108 0.000 1.122 359 H CA -0.655 55.458 56.048 0.107 0.000 1.217 359 H CB 1.105 30.919 29.762 0.086 0.000 1.776 359 H HN 0.411 nan 8.280 nan 0.000 0.533 360 H N 6.195 124.849 119.070 -0.694 0.000 2.782 360 H HA 0.216 4.788 4.556 0.027 0.000 0.347 360 H C -2.326 172.646 175.328 -0.594 0.000 1.038 360 H CA -2.351 53.451 56.048 -0.409 0.000 1.255 360 H CB 2.749 32.407 29.762 -0.173 0.000 1.623 360 H HN 0.525 nan 8.280 nan 0.000 0.525 361 P HA -0.099 nan 4.420 nan 0.000 0.219 361 P C 1.153 178.353 177.300 -0.167 0.000 1.146 361 P CA 0.881 63.828 63.100 -0.254 0.000 0.808 361 P CB 0.794 32.373 31.700 -0.201 0.000 0.779 362 L N -2.054 119.173 121.223 0.007 0.000 2.388 362 L HA 0.122 4.479 4.340 0.027 0.000 0.209 362 L C 2.128 178.812 176.870 -0.310 0.000 1.061 362 L CA 0.588 55.308 54.840 -0.200 0.000 0.834 362 L CB -0.641 41.178 42.059 -0.400 0.000 1.029 362 L HN -0.011 nan 8.230 nan 0.000 0.473 363 H N -0.465 118.594 119.070 -0.018 0.000 2.551 363 H HA 0.283 4.855 4.556 0.027 0.000 0.271 363 H C 1.404 176.622 175.328 -0.183 0.000 0.984 363 H CA 0.212 56.127 56.048 -0.221 0.000 1.164 363 H CB 0.416 29.905 29.762 -0.455 0.000 1.437 363 H HN 0.379 nan 8.280 nan 0.000 0.550 364 G N 1.433 110.142 108.800 -0.151 0.000 2.559 364 G HA2 -0.381 3.595 3.960 0.027 0.000 0.282 364 G HA3 -0.381 3.595 3.960 0.027 0.000 0.282 364 G C 0.669 175.471 174.900 -0.162 0.000 1.177 364 G CA 0.353 45.314 45.100 -0.233 0.000 0.960 364 G HN 0.457 nan 8.290 nan 0.000 0.540 365 Q N -0.128 119.617 119.800 -0.091 0.000 2.198 365 Q HA 0.451 4.808 4.340 0.027 0.000 0.209 365 Q C 0.282 176.395 176.000 0.188 0.000 0.848 365 Q CA -0.099 55.704 55.803 -0.001 0.000 0.974 365 Q CB 1.473 30.098 28.738 -0.189 0.000 1.115 365 Q HN 0.389 nan 8.270 nan 0.000 0.494 366 V N 2.202 122.195 119.914 0.132 0.000 2.508 366 V HA 0.132 4.268 4.120 0.027 0.000 0.281 366 V C 0.186 176.324 176.094 0.074 0.000 1.041 366 V CA 0.272 62.648 62.300 0.127 0.000 1.016 366 V CB 0.698 32.528 31.823 0.012 0.000 0.984 366 V HN 0.307 nan 8.190 nan 0.000 0.478 367 M N 5.332 124.982 119.600 0.083 0.000 2.472 367 M HA 0.504 5.000 4.480 0.027 0.000 0.331 367 M C -0.341 175.911 176.300 -0.080 0.000 1.170 367 M CA -0.604 54.702 55.300 0.009 0.000 1.009 367 M CB 1.840 34.405 32.600 -0.058 0.000 1.672 367 M HN 0.842 nan 8.290 nan 0.000 0.453 368 D N 0.277 120.643 120.400 -0.057 0.000 2.490 368 D HA 0.216 4.872 4.640 0.027 0.000 0.232 368 D C 0.116 176.397 176.300 -0.032 0.000 1.053 368 D CA -0.438 53.526 54.000 -0.060 0.000 0.914 368 D CB 1.892 42.678 40.800 -0.024 0.000 1.431 368 D HN 0.731 nan 8.370 nan 0.000 0.483 369 E N 0.154 120.344 120.200 -0.016 0.000 2.118 369 E HA -0.277 4.090 4.350 0.027 0.000 0.195 369 E C 1.761 178.405 176.600 0.074 0.000 0.992 369 E CA 1.216 57.636 56.400 0.034 0.000 0.804 369 E CB 0.169 29.903 29.700 0.057 0.000 0.741 369 E HN 0.541 nan 8.360 nan 0.000 0.458 370 Q N -0.226 119.618 119.800 0.074 0.000 2.050 370 Q HA -0.152 4.204 4.340 0.027 0.000 0.202 370 Q C 1.960 178.024 176.000 0.107 0.000 0.980 370 Q CA 2.100 57.958 55.803 0.091 0.000 0.840 370 Q CB -0.029 28.763 28.738 0.090 0.000 0.898 370 Q HN 0.280 nan 8.270 nan 0.000 0.424 371 T N 1.056 115.684 114.554 0.123 0.000 2.821 371 T HA -0.111 4.255 4.350 0.027 0.000 0.267 371 T C 1.871 176.660 174.700 0.148 0.000 1.046 371 T CA 1.389 63.576 62.100 0.145 0.000 1.139 371 T CB -0.130 68.850 68.868 0.187 0.000 0.871 371 T HN 0.297 nan 8.240 nan 0.000 0.454 372 M N 0.579 120.267 119.600 0.146 0.000 2.065 372 M HA -0.116 4.380 4.480 0.027 0.000 0.259 372 M C 2.462 178.894 176.300 0.219 0.000 1.069 372 M CA 1.470 56.926 55.300 0.260 0.000 1.110 372 M CB -0.691 32.087 32.600 0.296 0.000 1.328 372 M HN 0.104 nan 8.290 nan 0.000 0.405 373 V N 0.163 120.147 119.914 0.116 0.000 2.343 373 V HA -0.296 3.840 4.120 0.027 0.000 0.247 373 V C 2.323 178.408 176.094 -0.015 0.000 1.051 373 V CA 2.106 64.409 62.300 0.006 0.000 1.036 373 V CB -0.910 30.952 31.823 0.064 0.000 0.654 373 V HN 0.562 nan 8.190 nan 0.000 0.451 374 Q N -0.222 119.618 119.800 0.067 0.000 2.096 374 Q HA -0.281 4.076 4.340 0.027 0.000 0.204 374 Q C 1.967 178.040 176.000 0.121 0.000 0.982 374 Q CA 2.212 58.068 55.803 0.088 0.000 0.850 374 Q CB -0.153 28.655 28.738 0.117 0.000 0.901 374 Q HN 0.609 nan 8.270 nan 0.000 0.422 375 D N 0.212 120.709 120.400 0.161 0.000 2.117 375 D HA -0.127 4.529 4.640 0.027 0.000 0.197 375 D C 1.891 178.150 176.300 -0.067 0.000 0.987 375 D CA 1.041 55.142 54.000 0.169 0.000 0.829 375 D CB -0.128 40.763 40.800 0.151 0.000 0.961 375 D HN 0.362 nan 8.370 nan 0.000 0.460 376 I N 0.514 121.035 120.570 -0.082 0.000 2.252 376 I HA -0.222 3.965 4.170 0.027 0.000 0.245 376 I C 2.385 178.350 176.117 -0.255 0.000 1.102 376 I CA 0.574 61.713 61.300 -0.268 0.000 1.385 376 I CB -0.052 37.671 38.000 -0.461 0.000 1.064 376 I HN -0.010 nan 8.210 nan 0.000 0.414 377 L N 0.037 121.142 121.223 -0.196 0.000 2.046 377 L HA -0.228 4.129 4.340 0.027 0.000 0.208 377 L C 2.516 179.436 176.870 0.083 0.000 1.077 377 L CA 1.356 56.164 54.840 -0.054 0.000 0.747 377 L CB -0.488 41.561 42.059 -0.017 0.000 0.896 377 L HN 0.278 nan 8.230 nan 0.000 0.432 378 L N -1.078 120.220 121.223 0.126 0.000 2.083 378 L HA -0.232 4.124 4.340 0.027 0.000 0.209 378 L C 2.665 179.698 176.870 0.272 0.000 1.083 378 L CA 1.247 56.252 54.840 0.274 0.000 0.752 378 L CB -0.316 42.044 42.059 0.502 0.000 0.899 378 L HN 0.301 nan 8.230 nan 0.000 0.433 379 M N -0.540 119.049 119.600 -0.018 0.000 2.067 379 M HA -0.242 4.254 4.480 0.027 0.000 0.260 379 M C 2.299 178.692 176.300 0.155 0.000 1.069 379 M CA 1.880 57.102 55.300 -0.130 0.000 1.117 379 M CB -0.354 31.919 32.600 -0.546 0.000 1.334 379 M HN 0.079 nan 8.290 nan 0.000 0.407 380 K N -0.017 120.376 120.400 -0.012 0.000 2.097 380 K HA -0.169 4.167 4.320 0.027 0.000 0.205 380 K C 1.953 178.550 176.600 -0.005 0.000 1.050 380 K CA 1.256 57.437 56.287 -0.177 0.000 0.938 380 K CB -0.187 32.043 32.500 -0.450 0.000 0.718 380 K HN 0.464 nan 8.250 nan 0.000 0.442 381 Q N 0.308 120.263 119.800 0.258 0.000 2.291 381 Q HA -0.036 4.320 4.340 0.027 0.000 0.205 381 Q C 0.818 177.110 176.000 0.487 0.000 0.970 381 Q CA 0.740 56.801 55.803 0.429 0.000 0.876 381 Q CB 0.149 29.110 28.738 0.373 0.000 0.935 381 Q HN 0.269 nan 8.270 nan 0.000 0.455 382 N N 0.685 119.627 118.700 0.404 0.000 2.279 382 N HA 0.057 4.813 4.740 0.027 0.000 0.226 382 N C -0.640 174.965 175.510 0.158 0.000 1.126 382 N CA 0.023 53.303 53.050 0.383 0.000 0.846 382 N CB 0.673 39.474 38.487 0.525 0.000 1.050 382 N HN 0.172 nan 8.380 nan 0.000 0.502 383 N N 0.136 118.942 118.700 0.176 0.000 2.782 383 N HA -0.187 4.569 4.740 0.027 0.000 0.251 383 N C -0.794 174.609 175.510 -0.177 0.000 1.101 383 N CA 0.815 53.915 53.050 0.083 0.000 0.764 383 N CB -1.746 36.738 38.487 -0.005 0.000 1.122 383 N HN 0.262 nan 8.380 nan 0.000 0.561 384 F N 1.166 121.142 119.950 0.043 0.000 2.375 384 F HA 0.310 4.853 4.527 0.026 0.000 0.333 384 F C 1.748 177.545 175.800 -0.006 0.000 1.104 384 F CA -0.520 57.485 58.000 0.009 0.000 1.149 384 F CB 0.833 39.807 39.000 -0.044 0.000 1.190 384 F HN 0.043 nan 8.300 nan 0.000 0.533 385 N N 0.664 119.477 118.700 0.189 0.000 2.160 385 N HA 0.436 5.192 4.740 0.027 0.000 0.226 385 N C -0.935 174.618 175.510 0.070 0.000 1.256 385 N CA -0.048 53.038 53.050 0.060 0.000 0.890 385 N CB 0.787 39.348 38.487 0.124 0.000 1.116 385 N HN 0.475 nan 8.380 nan 0.000 0.517 386 A N -0.473 122.473 122.820 0.210 0.000 2.589 386 A HA 0.734 5.070 4.320 0.027 0.000 0.296 386 A C -1.794 176.030 177.584 0.400 0.000 1.062 386 A CA -0.698 51.535 52.037 0.326 0.000 0.686 386 A CB 1.795 21.033 19.000 0.398 0.000 1.282 386 A HN 0.245 nan 8.150 nan 0.000 0.404 387 V N 1.537 121.722 119.914 0.452 0.000 2.841 387 V HA 0.817 4.953 4.120 0.027 0.000 0.310 387 V C -0.563 175.650 176.094 0.199 0.000 1.090 387 V CA -0.728 61.783 62.300 0.351 0.000 0.930 387 V CB 1.866 33.827 31.823 0.230 0.000 1.014 387 V HN 1.141 nan 8.190 nan 0.000 0.425 388 R N 5.032 125.501 120.500 -0.051 0.000 2.338 388 R HA 0.482 4.838 4.340 0.027 0.000 0.317 388 R C -0.780 175.374 176.300 -0.244 0.000 0.968 388 R CA -0.449 55.417 56.100 -0.390 0.000 0.849 388 R CB 1.075 30.883 30.300 -0.821 0.000 1.128 388 R HN 0.801 nan 8.270 nan 0.000 0.448 389 C N 4.600 123.791 119.300 -0.181 0.000 2.896 389 C HA 0.114 4.590 4.460 0.027 0.000 0.499 389 C C 0.523 175.245 174.990 -0.446 0.000 1.022 389 C CA -0.392 58.477 59.018 -0.249 0.000 1.127 389 C CB -2.021 25.684 27.740 -0.059 0.000 1.452 389 C HN 0.734 nan 8.230 nan 0.000 0.580 390 S N 1.761 117.072 115.700 -0.648 0.000 2.465 390 S HA 0.194 4.681 4.470 0.027 0.000 0.280 390 S C -0.161 173.535 174.600 -1.506 0.000 1.232 390 S CA 0.101 57.653 58.200 -1.081 0.000 1.066 390 S CB 0.123 62.647 63.200 -1.126 0.000 0.929 390 S HN 0.731 nan 8.310 nan 0.000 0.494 391 H N 3.819 122.278 119.070 -1.018 0.000 2.439 391 H HA 0.331 4.903 4.556 0.027 0.000 0.228 391 H C -1.209 173.990 175.328 -0.215 0.000 1.423 391 H CA -0.340 55.493 56.048 -0.358 0.000 1.386 391 H CB -0.123 29.634 29.762 -0.008 0.000 1.641 391 H HN 0.886 nan 8.280 nan 0.000 0.508 392 Y N -2.612 117.793 120.300 0.176 0.000 2.765 392 Y HA 0.379 4.946 4.550 0.028 0.000 0.350 392 Y C -3.290 172.723 175.900 0.188 0.000 1.196 392 Y CA -2.978 55.237 58.100 0.191 0.000 1.119 392 Y CB 0.017 38.595 38.460 0.196 0.000 1.368 392 Y HN -0.054 nan 8.280 nan 0.000 0.463 393 P HA 0.181 nan 4.420 nan 0.000 0.271 393 P C -0.632 176.961 177.300 0.488 0.000 1.218 393 P CA 0.064 63.416 63.100 0.419 0.000 0.780 393 P CB 0.608 32.488 31.700 0.300 0.000 0.901 394 N N 0.334 119.348 118.700 0.524 0.000 2.491 394 N HA 0.106 4.862 4.740 0.027 0.000 0.279 394 N C 0.017 175.795 175.510 0.447 0.000 1.236 394 N CA -0.598 52.685 53.050 0.389 0.000 0.982 394 N CB 0.361 38.898 38.487 0.082 0.000 1.194 394 N HN 0.594 nan 8.380 nan 0.000 0.582 395 H N 2.259 121.460 119.070 0.219 0.000 3.001 395 H HA 0.002 4.574 4.556 0.027 0.000 0.334 395 H C -1.620 173.894 175.328 0.310 0.000 1.034 395 H CA -0.724 55.431 56.048 0.179 0.000 1.420 395 H CB 1.008 30.838 29.762 0.114 0.000 1.405 395 H HN 0.421 nan 8.280 nan 0.000 0.593 396 P HA -0.196 nan 4.420 nan 0.000 0.219 396 P C 1.747 179.374 177.300 0.545 0.000 1.146 396 P CA 0.654 64.006 63.100 0.420 0.000 0.808 396 P CB 0.264 32.056 31.700 0.152 0.000 0.779 397 L N -1.145 120.472 121.223 0.656 0.000 2.275 397 L HA -0.008 4.349 4.340 0.027 0.000 0.215 397 L C 2.375 179.426 176.870 0.302 0.000 1.119 397 L CA 1.230 56.316 54.840 0.409 0.000 0.790 397 L CB -1.372 40.867 42.059 0.300 0.000 0.919 397 L HN 0.010 nan 8.230 nan 0.000 0.443 398 W N -0.585 120.769 121.300 0.091 0.000 2.338 398 W HA -0.327 4.349 4.660 0.026 0.000 0.304 398 W C 2.002 178.377 176.519 -0.239 0.000 1.212 398 W CA 1.789 59.043 57.345 -0.152 0.000 1.264 398 W CB -0.276 28.995 29.460 -0.316 0.000 1.142 398 W HN 0.266 nan 8.180 nan 0.000 0.512 399 Y N 0.606 120.855 120.300 -0.084 0.000 2.200 399 Y HA -0.205 4.360 4.550 0.026 0.000 0.290 399 Y C 2.874 178.558 175.900 -0.360 0.000 1.137 399 Y CA 2.125 59.956 58.100 -0.449 0.000 1.163 399 Y CB -1.352 36.486 38.460 -1.037 0.000 0.988 399 Y HN -0.242 nan 8.280 nan 0.000 0.518 400 T N 0.778 115.360 114.554 0.046 0.000 2.720 400 T HA -0.169 4.197 4.350 0.027 0.000 0.268 400 T C 1.997 176.737 174.700 0.068 0.000 1.037 400 T CA 1.486 63.682 62.100 0.160 0.000 1.144 400 T CB -0.562 68.446 68.868 0.232 0.000 0.864 400 T HN 0.222 nan 8.240 nan 0.000 0.444 401 L N 0.225 121.446 121.223 -0.004 0.000 2.056 401 L HA -0.099 4.257 4.340 0.027 0.000 0.207 401 L C 2.915 179.765 176.870 -0.034 0.000 1.078 401 L CA 0.941 55.797 54.840 0.027 0.000 0.749 401 L CB -0.743 41.298 42.059 -0.031 0.000 0.901 401 L HN 0.367 nan 8.230 nan 0.000 0.433 402 C N -0.163 118.949 119.300 -0.313 0.000 2.425 402 C HA -0.157 4.319 4.460 0.027 0.000 0.277 402 C C 2.446 177.488 174.990 0.086 0.000 1.280 402 C CA 0.506 59.381 59.018 -0.238 0.000 1.744 402 C CB -0.807 26.680 27.740 -0.421 0.000 1.989 402 C HN 0.542 nan 8.230 nan 0.000 0.491 403 D N 0.426 120.881 120.400 0.092 0.000 2.104 403 D HA -0.114 4.542 4.640 0.027 0.000 0.194 403 D C 2.417 178.939 176.300 0.370 0.000 0.994 403 D CA 1.297 55.429 54.000 0.221 0.000 0.830 403 D CB -0.355 40.531 40.800 0.144 0.000 0.959 403 D HN 0.519 nan 8.370 nan 0.000 0.452 404 R N -1.056 119.542 120.500 0.164 0.000 2.093 404 R HA -0.007 4.349 4.340 0.027 0.000 0.224 404 R C 2.212 178.477 176.300 -0.059 0.000 1.101 404 R CA 0.594 56.718 56.100 0.041 0.000 0.979 404 R CB -0.179 30.068 30.300 -0.088 0.000 0.877 404 R HN 0.313 nan 8.270 nan 0.000 0.441 405 Y N -0.074 120.244 120.300 0.030 0.000 2.420 405 Y HA 0.150 4.716 4.550 0.027 0.000 0.292 405 Y C 1.039 176.873 175.900 -0.110 0.000 1.119 405 Y CA 0.723 58.809 58.100 -0.023 0.000 1.229 405 Y CB 0.637 39.055 38.460 -0.071 0.000 1.026 405 Y HN 0.233 nan 8.280 nan 0.000 0.554 406 G N 1.214 110.054 108.800 0.066 0.000 2.830 406 G HA2 -0.148 3.828 3.960 0.027 0.000 0.298 406 G HA3 -0.148 3.828 3.960 0.027 0.000 0.298 406 G C -1.182 173.564 174.900 -0.256 0.000 1.031 406 G CA -0.558 44.444 45.100 -0.163 0.000 1.179 406 G HN 0.167 nan 8.290 nan 0.000 0.527 407 L N 0.936 122.090 121.223 -0.114 0.000 2.445 407 L HA 0.500 4.857 4.340 0.027 0.000 0.262 407 L C -0.009 176.866 176.870 0.008 0.000 0.974 407 L CA -1.317 53.409 54.840 -0.190 0.000 0.822 407 L CB 2.017 43.990 42.059 -0.143 0.000 1.339 407 L HN 0.453 nan 8.230 nan 0.000 0.409 408 Y N 1.781 122.216 120.300 0.227 0.000 2.377 408 Y HA 0.377 4.945 4.550 0.030 0.000 0.330 408 Y C 0.197 176.225 175.900 0.214 0.000 1.108 408 Y CA -0.637 57.629 58.100 0.277 0.000 1.308 408 Y CB 1.233 39.834 38.460 0.235 0.000 1.216 408 Y HN 0.157 nan 8.280 nan 0.000 0.518 409 V N 4.188 124.284 119.914 0.304 0.000 2.680 409 V HA 0.325 4.461 4.120 0.027 0.000 0.309 409 V C -0.610 175.557 176.094 0.122 0.000 1.052 409 V CA -1.039 61.376 62.300 0.192 0.000 0.908 409 V CB 2.066 33.959 31.823 0.116 0.000 1.001 409 V HN 0.438 nan 8.190 nan 0.000 0.431 410 V N 2.981 122.929 119.914 0.057 0.000 2.318 410 V HA 0.318 4.455 4.120 0.027 0.000 0.271 410 V C -0.369 175.751 176.094 0.044 0.000 1.030 410 V CA -0.333 61.954 62.300 -0.021 0.000 0.844 410 V CB 1.330 33.022 31.823 -0.218 0.000 1.015 410 V HN 0.883 nan 8.190 nan 0.000 0.460 411 D N 4.234 124.707 120.400 0.122 0.000 2.280 411 D HA 0.328 4.984 4.640 0.027 0.000 0.243 411 D C -0.235 176.263 176.300 0.330 0.000 1.129 411 D CA -0.081 54.090 54.000 0.285 0.000 0.848 411 D CB 1.276 42.296 40.800 0.368 0.000 1.107 411 D HN 0.682 nan 8.370 nan 0.000 0.471 412 E N 2.073 122.429 120.200 0.260 0.000 2.210 412 E HA 0.618 4.984 4.350 0.027 0.000 0.266 412 E C -1.002 175.738 176.600 0.234 0.000 0.883 412 E CA -1.059 55.480 56.400 0.232 0.000 0.761 412 E CB 1.332 31.121 29.700 0.148 0.000 1.156 412 E HN 0.461 nan 8.360 nan 0.000 0.412 413 A N 3.895 126.845 122.820 0.216 0.000 2.520 413 A HA 0.027 4.363 4.320 0.027 0.000 0.235 413 A C 0.358 178.069 177.584 0.212 0.000 1.065 413 A CA -0.133 52.011 52.037 0.178 0.000 0.764 413 A CB 0.098 19.166 19.000 0.113 0.000 1.002 413 A HN 0.705 nan 8.150 nan 0.000 0.502 414 N N 1.250 120.084 118.700 0.222 0.000 3.050 414 N HA 0.263 5.019 4.740 0.027 0.000 0.289 414 N C -1.035 174.605 175.510 0.217 0.000 1.209 414 N CA 0.200 53.416 53.050 0.276 0.000 1.154 414 N CB -0.843 37.805 38.487 0.268 0.000 1.444 414 N HN 0.477 nan 8.380 nan 0.000 0.529 415 I N 0.916 121.609 120.570 0.206 0.000 2.497 415 I HA 0.263 4.449 4.170 0.027 0.000 0.284 415 I C -0.606 175.614 176.117 0.172 0.000 1.060 415 I CA -0.585 60.817 61.300 0.170 0.000 1.071 415 I CB 1.711 39.786 38.000 0.125 0.000 1.216 415 I HN 0.232 nan 8.210 nan 0.000 0.442 416 E N 4.486 124.778 120.200 0.153 0.000 2.294 416 E HA 0.374 4.740 4.350 0.027 0.000 0.272 416 E C -0.679 175.962 176.600 0.068 0.000 0.896 416 E CA -0.484 55.974 56.400 0.095 0.000 0.802 416 E CB 1.597 31.329 29.700 0.053 0.000 1.267 416 E HN 0.587 nan 8.360 nan 0.000 0.406 417 T N 1.458 116.043 114.554 0.051 0.000 3.374 417 T HA 0.158 4.525 4.350 0.027 0.000 0.267 417 T C 0.808 175.483 174.700 -0.042 0.000 0.996 417 T CA -0.598 61.546 62.100 0.072 0.000 0.977 417 T CB -0.025 68.896 68.868 0.089 0.000 1.149 417 T HN 0.344 nan 8.240 nan 0.000 0.517 418 N N 2.454 121.051 118.700 -0.172 0.000 2.137 418 N HA -0.073 4.684 4.740 0.027 0.000 0.190 418 N C 1.970 177.345 175.510 -0.226 0.000 1.017 418 N CA 1.843 54.770 53.050 -0.205 0.000 0.859 418 N CB -0.668 37.660 38.487 -0.266 0.000 1.002 418 N HN 0.709 nan 8.380 nan 0.000 0.428 419 G N -0.448 108.118 108.800 -0.389 0.000 2.744 419 G HA2 -0.011 3.965 3.960 0.027 0.000 0.211 419 G HA3 -0.011 3.965 3.960 0.027 0.000 0.211 419 G C 0.717 175.708 174.900 0.152 0.000 1.143 419 G CA -0.154 44.808 45.100 -0.231 0.000 0.788 419 G HN 0.128 nan 8.290 nan 0.000 0.534 420 M N 0.452 120.182 119.600 0.217 0.000 2.226 420 M HA 0.301 4.797 4.480 0.027 0.000 0.324 420 M C -0.328 175.989 176.300 0.029 0.000 1.112 420 M CA -0.258 55.130 55.300 0.146 0.000 1.176 420 M CB 1.349 33.988 32.600 0.064 0.000 1.430 420 M HN -0.206 nan 8.290 nan 0.000 0.462 421 V N 3.862 123.777 119.914 0.002 0.000 2.443 421 V HA 0.367 4.504 4.120 0.027 0.000 0.293 421 V C -1.917 174.161 176.094 -0.028 0.000 1.021 421 V CA -1.328 60.959 62.300 -0.021 0.000 0.848 421 V CB 1.717 33.526 31.823 -0.024 0.000 0.998 421 V HN 0.738 nan 8.190 nan 0.000 0.424 422 P HA 0.219 nan 4.420 nan 0.000 0.274 422 P C 0.972 178.259 177.300 -0.021 0.000 1.260 422 P CA -0.459 62.625 63.100 -0.027 0.000 0.793 422 P CB 1.048 32.736 31.700 -0.019 0.000 1.048 423 M N 0.528 120.116 119.600 -0.019 0.000 2.279 423 M HA -0.159 4.337 4.480 0.027 0.000 0.264 423 M C 1.204 177.516 176.300 0.021 0.000 1.062 423 M CA 1.716 57.012 55.300 -0.006 0.000 1.099 423 M CB -0.463 32.129 32.600 -0.014 0.000 1.394 423 M HN 0.367 nan 8.290 nan 0.000 0.426 424 N N -0.093 118.625 118.700 0.029 0.000 2.322 424 N HA -0.067 4.690 4.740 0.027 0.000 0.216 424 N C 1.086 176.579 175.510 -0.030 0.000 1.144 424 N CA 0.139 53.213 53.050 0.040 0.000 0.830 424 N CB -0.698 37.833 38.487 0.073 0.000 1.034 424 N HN 0.359 nan 8.380 nan 0.000 0.484 425 R N 0.300 120.765 120.500 -0.058 0.000 2.105 425 R HA 0.031 4.387 4.340 0.027 0.000 0.239 425 R C 1.422 177.622 176.300 -0.167 0.000 1.135 425 R CA 1.204 57.247 56.100 -0.096 0.000 0.967 425 R CB -0.005 30.233 30.300 -0.103 0.000 0.861 425 R HN 0.286 nan 8.270 nan 0.000 0.442 426 L N -0.598 120.467 121.223 -0.263 0.000 2.202 426 L HA -0.009 4.347 4.340 0.027 0.000 0.205 426 L C 2.402 179.133 176.870 -0.232 0.000 1.083 426 L CA 1.294 55.860 54.840 -0.456 0.000 0.790 426 L CB -0.404 41.151 42.059 -0.840 0.000 0.942 426 L HN 0.337 nan 8.230 nan 0.000 0.452 427 T N -4.520 109.933 114.554 -0.168 0.000 3.072 427 T HA -0.141 4.225 4.350 0.027 0.000 0.266 427 T C 1.264 175.877 174.700 -0.146 0.000 1.127 427 T CA 1.025 63.009 62.100 -0.193 0.000 1.107 427 T CB -0.175 68.535 68.868 -0.262 0.000 0.910 427 T HN 0.094 nan 8.240 nan 0.000 0.513 428 D N 1.119 121.468 120.400 -0.085 0.000 2.349 428 D HA 0.094 4.750 4.640 0.027 0.000 0.214 428 D C -0.204 176.075 176.300 -0.034 0.000 1.063 428 D CA -0.198 53.763 54.000 -0.065 0.000 0.847 428 D CB -0.104 40.665 40.800 -0.052 0.000 0.933 428 D HN 0.302 nan 8.370 nan 0.000 0.513 429 D N 0.027 120.422 120.400 -0.008 0.000 2.313 429 D HA 0.106 4.762 4.640 0.027 0.000 0.239 429 D C -1.651 174.699 176.300 0.083 0.000 1.142 429 D CA -2.162 51.871 54.000 0.055 0.000 0.847 429 D CB 1.924 42.800 40.800 0.127 0.000 1.082 429 D HN -0.004 nan 8.370 nan 0.000 0.480 430 P HA -0.094 nan 4.420 nan 0.000 0.222 430 P C 0.938 178.242 177.300 0.007 0.000 1.147 430 P CA 0.599 63.708 63.100 0.014 0.000 0.790 430 P CB 0.304 32.001 31.700 -0.005 0.000 0.780 431 R N -1.724 118.786 120.500 0.017 0.000 2.285 431 R HA -0.060 4.296 4.340 0.027 0.000 0.213 431 R C 1.446 177.625 176.300 -0.202 0.000 1.068 431 R CA 0.978 57.020 56.100 -0.096 0.000 1.004 431 R CB -0.562 29.669 30.300 -0.114 0.000 0.873 431 R HN 0.346 nan 8.270 nan 0.000 0.467 432 W N -0.043 121.200 121.300 -0.095 0.000 3.220 432 W HA 0.110 4.785 4.660 0.026 0.000 0.328 432 W C 1.595 178.054 176.519 -0.101 0.000 1.205 432 W CA -0.500 56.788 57.345 -0.096 0.000 1.773 432 W CB 0.060 29.461 29.460 -0.099 0.000 1.086 432 W HN -0.017 nan 8.180 nan 0.000 0.622 433 L N 2.318 123.570 121.223 0.048 0.000 2.042 433 L HA -0.077 4.279 4.340 0.027 0.000 0.210 433 L C -0.702 176.134 176.870 -0.058 0.000 1.076 433 L CA 2.288 57.116 54.840 -0.019 0.000 0.749 433 L CB -1.761 40.276 42.059 -0.037 0.000 0.893 433 L HN -0.220 nan 8.230 nan 0.000 0.432 434 P HA -0.148 nan 4.420 nan 0.000 0.214 434 P C 1.647 178.893 177.300 -0.091 0.000 1.163 434 P CA 2.249 65.287 63.100 -0.104 0.000 0.883 434 P CB -0.271 31.358 31.700 -0.118 0.000 0.788 435 A N -0.972 121.805 122.820 -0.071 0.000 1.902 435 A HA -0.199 4.138 4.320 0.027 0.000 0.217 435 A C 2.262 179.857 177.584 0.019 0.000 1.181 435 A CA 2.074 54.103 52.037 -0.015 0.000 0.623 435 A CB -1.513 17.506 19.000 0.031 0.000 0.818 435 A HN 0.115 nan 8.150 nan 0.000 0.443 436 M N 0.033 119.652 119.600 0.032 0.000 2.175 436 M HA -0.131 4.365 4.480 0.027 0.000 0.264 436 M C 2.542 178.787 176.300 -0.092 0.000 1.063 436 M CA 1.613 56.909 55.300 -0.007 0.000 1.119 436 M CB -0.329 32.246 32.600 -0.042 0.000 1.377 436 M HN 0.662 nan 8.290 nan 0.000 0.415 437 S N 0.560 116.178 115.700 -0.137 0.000 2.370 437 S HA -0.208 4.278 4.470 0.027 0.000 0.226 437 S C 1.624 176.053 174.600 -0.285 0.000 1.033 437 S CA 1.645 59.697 58.200 -0.247 0.000 1.011 437 S CB -0.551 62.486 63.200 -0.272 0.000 0.852 437 S HN 0.536 nan 8.310 nan 0.000 0.457 438 E N 0.772 120.857 120.200 -0.192 0.000 2.150 438 E HA -0.064 4.302 4.350 0.027 0.000 0.193 438 E C 2.450 178.960 176.600 -0.149 0.000 0.985 438 E CA 0.837 57.130 56.400 -0.180 0.000 0.814 438 E CB -0.104 29.529 29.700 -0.112 0.000 0.752 438 E HN 0.578 nan 8.360 nan 0.000 0.466 439 R N 0.040 120.483 120.500 -0.094 0.000 2.115 439 R HA -0.068 4.288 4.340 0.027 0.000 0.230 439 R C 2.278 178.535 176.300 -0.072 0.000 1.111 439 R CA 0.758 56.835 56.100 -0.039 0.000 0.976 439 R CB 0.017 30.334 30.300 0.027 0.000 0.870 439 R HN 0.021 nan 8.270 nan 0.000 0.445 440 V N 0.280 120.105 119.914 -0.148 0.000 2.379 440 V HA -0.182 3.954 4.120 0.027 0.000 0.243 440 V C 2.485 178.386 176.094 -0.322 0.000 1.035 440 V CA 2.147 64.333 62.300 -0.189 0.000 1.035 440 V CB -0.359 31.343 31.823 -0.202 0.000 0.673 440 V HN 0.527 nan 8.190 nan 0.000 0.457 441 T N -0.873 113.358 114.554 -0.539 0.000 2.821 441 T HA -0.222 4.144 4.350 0.027 0.000 0.267 441 T C 1.950 176.489 174.700 -0.268 0.000 1.046 441 T CA 1.308 63.005 62.100 -0.671 0.000 1.139 441 T CB -0.389 67.888 68.868 -0.985 0.000 0.871 441 T HN 0.389 nan 8.240 nan 0.000 0.454 442 R N 0.257 120.625 120.500 -0.219 0.000 2.148 442 R HA 0.193 4.549 4.340 0.027 0.000 0.227 442 R C 2.629 178.852 176.300 -0.128 0.000 1.103 442 R CA 1.387 57.396 56.100 -0.151 0.000 0.983 442 R CB -0.443 29.777 30.300 -0.134 0.000 0.874 442 R HN 0.500 nan 8.270 nan 0.000 0.451 443 M N 0.434 119.964 119.600 -0.117 0.000 2.156 443 M HA -0.117 4.380 4.480 0.027 0.000 0.264 443 M C 1.789 178.017 176.300 -0.120 0.000 1.067 443 M CA 1.580 56.840 55.300 -0.065 0.000 1.131 443 M CB 0.155 32.761 32.600 0.009 0.000 1.368 443 M HN -0.029 nan 8.290 nan 0.000 0.416 444 V N 1.115 120.851 119.914 -0.296 0.000 2.358 444 V HA -0.265 3.871 4.120 0.027 0.000 0.246 444 V C 2.280 178.275 176.094 -0.165 0.000 1.047 444 V CA 1.924 63.919 62.300 -0.508 0.000 1.035 444 V CB -0.878 30.618 31.823 -0.546 0.000 0.658 444 V HN 0.587 nan 8.190 nan 0.000 0.452 445 Q N -0.508 119.228 119.800 -0.106 0.000 2.124 445 Q HA -0.240 4.117 4.340 0.027 0.000 0.202 445 Q C 2.457 178.379 176.000 -0.130 0.000 0.977 445 Q CA 1.691 57.440 55.803 -0.090 0.000 0.850 445 Q CB -0.209 28.490 28.738 -0.064 0.000 0.901 445 Q HN 0.533 nan 8.270 nan 0.000 0.429 446 R N 0.344 120.760 120.500 -0.141 0.000 2.075 446 R HA -0.098 4.259 4.340 0.027 0.000 0.226 446 R C 0.567 176.800 176.300 -0.113 0.000 1.114 446 R CA 1.370 57.363 56.100 -0.178 0.000 0.972 446 R CB 0.382 30.577 30.300 -0.176 0.000 0.869 446 R HN 0.151 nan 8.270 nan 0.000 0.437 447 D N -0.366 120.038 120.400 0.007 0.000 2.398 447 D HA -0.006 4.650 4.640 0.027 0.000 0.210 447 D C 1.274 177.704 176.300 0.217 0.000 1.094 447 D CA 0.117 54.176 54.000 0.098 0.000 0.839 447 D CB 0.250 41.056 40.800 0.010 0.000 0.963 447 D HN 0.362 nan 8.370 nan 0.000 0.506 448 R N 0.600 121.243 120.500 0.238 0.000 2.293 448 R HA 0.014 4.371 4.340 0.027 0.000 0.219 448 R C 0.657 176.968 176.300 0.019 0.000 1.091 448 R CA 0.854 57.099 56.100 0.242 0.000 1.004 448 R CB -0.253 30.133 30.300 0.143 0.000 0.865 448 R HN -0.087 nan 8.270 nan 0.000 0.469 449 N N 0.342 118.980 118.700 -0.103 0.000 2.280 449 N HA 0.012 4.768 4.740 0.027 0.000 0.192 449 N C -0.590 174.792 175.510 -0.214 0.000 1.109 449 N CA 0.186 53.142 53.050 -0.157 0.000 0.855 449 N CB 0.149 38.515 38.487 -0.203 0.000 0.974 449 N HN 0.291 nan 8.380 nan 0.000 0.482 450 H N 1.239 120.250 119.070 -0.097 0.000 2.668 450 H HA 0.120 4.692 4.556 0.026 0.000 0.303 450 H C -1.213 173.962 175.328 -0.255 0.000 1.074 450 H CA -1.285 54.685 56.048 -0.129 0.000 1.406 450 H CB 1.657 31.381 29.762 -0.063 0.000 1.442 450 H HN 0.035 nan 8.280 nan 0.000 0.482 451 P HA -0.156 nan 4.420 nan 0.000 0.218 451 P C 1.434 178.264 177.300 -0.782 0.000 1.149 451 P CA 1.139 63.875 63.100 -0.607 0.000 0.817 451 P CB 0.280 31.357 31.700 -1.039 0.000 0.785 452 S N -0.646 114.699 115.700 -0.591 0.000 2.419 452 S HA -0.052 4.434 4.470 0.027 0.000 0.233 452 S C 1.140 175.704 174.600 -0.060 0.000 1.016 452 S CA 0.422 58.443 58.200 -0.300 0.000 0.974 452 S CB -1.585 61.606 63.200 -0.016 0.000 0.786 452 S HN -0.056 nan 8.310 nan 0.000 0.492 453 V N 3.757 123.613 119.914 -0.096 0.000 2.446 453 V HA 0.187 4.323 4.120 0.027 0.000 0.276 453 V C 1.170 177.128 176.094 -0.226 0.000 1.030 453 V CA 0.115 62.324 62.300 -0.152 0.000 1.033 453 V CB 0.210 31.851 31.823 -0.303 0.000 0.993 453 V HN 0.632 nan 8.190 nan 0.000 0.477 454 I N 2.675 123.172 120.570 -0.123 0.000 4.187 454 I HA 0.497 4.684 4.170 0.027 0.000 0.326 454 I C 0.422 176.429 176.117 -0.183 0.000 1.302 454 I CA 0.566 61.800 61.300 -0.109 0.000 1.196 454 I CB 0.462 38.482 38.000 0.034 0.000 1.095 454 I HN 0.321 nan 8.210 nan 0.000 0.411 455 I N 0.192 120.633 120.570 -0.215 0.000 2.656 455 I HA 0.342 4.528 4.170 0.027 0.000 0.292 455 I C -1.570 174.459 176.117 -0.148 0.000 1.144 455 I CA -0.429 60.785 61.300 -0.144 0.000 1.038 455 I CB 2.089 40.096 38.000 0.012 0.000 1.244 455 I HN 0.030 nan 8.210 nan 0.000 0.420 456 W N 4.005 125.356 121.300 0.084 0.000 2.438 456 W HA 0.602 5.275 4.660 0.023 0.000 0.324 456 W C 0.437 177.024 176.519 0.113 0.000 1.119 456 W CA -0.644 56.758 57.345 0.095 0.000 1.221 456 W CB 1.629 31.141 29.460 0.087 0.000 1.253 456 W HN 0.306 nan 8.180 nan 0.000 0.555 457 S N 2.746 118.677 115.700 0.384 0.000 2.482 457 S HA 0.396 4.883 4.470 0.027 0.000 0.303 457 S C 0.319 175.089 174.600 0.284 0.000 1.091 457 S CA -0.719 57.661 58.200 0.299 0.000 1.057 457 S CB 0.830 64.164 63.200 0.223 0.000 1.031 457 S HN 0.587 nan 8.310 nan 0.000 0.485 458 L N 4.097 125.482 121.223 0.269 0.000 2.610 458 L HA 0.312 4.668 4.340 0.027 0.000 0.232 458 L C 1.403 178.335 176.870 0.103 0.000 1.149 458 L CA 0.539 55.453 54.840 0.124 0.000 0.872 458 L CB -1.168 40.852 42.059 -0.064 0.000 0.992 458 L HN 1.006 nan 8.230 nan 0.000 0.447 459 G N -0.001 108.953 108.800 0.257 0.000 2.297 459 G HA2 -0.145 3.831 3.960 0.027 0.000 0.209 459 G HA3 -0.145 3.831 3.960 0.027 0.000 0.209 459 G C -1.539 173.583 174.900 0.371 0.000 1.267 459 G CA -0.531 44.730 45.100 0.269 0.000 1.127 459 G HN 0.181 nan 8.290 nan 0.000 0.498 460 N N 0.205 119.075 118.700 0.283 0.000 2.367 460 N HA 0.466 5.223 4.740 0.027 0.000 0.278 460 N C -0.483 175.044 175.510 0.029 0.000 1.117 460 N CA 0.130 53.214 53.050 0.058 0.000 0.867 460 N CB 1.601 39.843 38.487 -0.409 0.000 1.649 460 N HN 0.882 nan 8.380 nan 0.000 0.479 461 E N 0.704 120.863 120.200 -0.067 0.000 2.160 461 E HA -0.178 4.188 4.350 0.027 0.000 0.180 461 E C -0.826 175.792 176.600 0.030 0.000 1.452 461 E CA 0.785 57.136 56.400 -0.081 0.000 0.683 461 E CB -1.256 28.333 29.700 -0.185 0.000 1.072 461 E HN 0.432 nan 8.360 nan 0.000 0.332 462 S N 0.059 115.879 115.700 0.199 0.000 2.941 462 S HA 0.404 4.890 4.470 0.027 0.000 0.251 462 S C 0.627 175.414 174.600 0.311 0.000 1.029 462 S CA -0.144 58.201 58.200 0.243 0.000 1.062 462 S CB 1.403 64.795 63.200 0.320 0.000 0.977 462 S HN 0.850 nan 8.310 nan 0.000 0.552 463 G N 1.999 110.920 108.800 0.201 0.000 2.601 463 G HA2 -0.267 3.709 3.960 0.027 0.000 0.261 463 G HA3 -0.267 3.709 3.960 0.027 0.000 0.261 463 G C -0.510 174.593 174.900 0.338 0.000 1.289 463 G CA -0.136 45.076 45.100 0.188 0.000 0.920 463 G HN 0.645 nan 8.290 nan 0.000 0.571 464 H N 0.546 119.739 119.070 0.204 0.000 2.800 464 H HA 0.574 5.146 4.556 0.028 0.000 0.322 464 H C 0.340 175.844 175.328 0.293 0.000 0.979 464 H CA -0.077 56.130 56.048 0.264 0.000 1.277 464 H CB 0.583 30.435 29.762 0.150 0.000 1.484 464 H HN 1.040 nan 8.280 nan 0.000 0.512 465 G N 1.532 110.480 108.800 0.245 0.000 2.600 465 G HA2 0.448 4.424 3.960 0.027 0.000 0.303 465 G HA3 0.448 4.424 3.960 0.027 0.000 0.303 465 G C 0.563 175.365 174.900 -0.164 0.000 1.253 465 G CA -0.162 44.886 45.100 -0.086 0.000 0.974 465 G HN 0.666 nan 8.290 nan 0.000 0.483 466 A N 0.279 123.014 122.820 -0.143 0.000 2.019 466 A HA -0.088 4.248 4.320 0.027 0.000 0.219 466 A C 2.127 179.687 177.584 -0.039 0.000 1.164 466 A CA 1.846 53.837 52.037 -0.077 0.000 0.644 466 A CB -0.433 18.539 19.000 -0.047 0.000 0.805 466 A HN 0.533 nan 8.150 nan 0.000 0.449 467 N N -0.169 118.470 118.700 -0.102 0.000 2.205 467 N HA -0.155 4.601 4.740 0.027 0.000 0.186 467 N C 1.378 176.825 175.510 -0.105 0.000 1.015 467 N CA 1.756 54.731 53.050 -0.125 0.000 0.862 467 N CB -0.672 37.695 38.487 -0.200 0.000 0.986 467 N HN 0.791 nan 8.380 nan 0.000 0.429 468 H N 0.334 119.397 119.070 -0.012 0.000 2.321 468 H HA -0.031 4.541 4.556 0.027 0.000 0.300 468 H C 1.301 176.705 175.328 0.126 0.000 1.087 468 H CA 1.319 57.372 56.048 0.007 0.000 1.319 468 H CB 0.114 29.892 29.762 0.026 0.000 1.379 468 H HN 0.183 nan 8.280 nan 0.000 0.501 469 D N 0.427 120.994 120.400 0.278 0.000 2.117 469 D HA -0.143 4.513 4.640 0.027 0.000 0.197 469 D C 2.323 178.775 176.300 0.253 0.000 0.987 469 D CA 1.200 55.357 54.000 0.261 0.000 0.829 469 D CB -0.455 40.463 40.800 0.196 0.000 0.961 469 D HN 0.429 nan 8.370 nan 0.000 0.460 470 A N 0.851 123.768 122.820 0.162 0.000 1.883 470 A HA -0.143 4.193 4.320 0.027 0.000 0.217 470 A C 2.433 180.125 177.584 0.180 0.000 1.186 470 A CA 1.064 53.186 52.037 0.141 0.000 0.624 470 A CB -0.798 18.242 19.000 0.068 0.000 0.822 470 A HN 0.212 nan 8.150 nan 0.000 0.444 471 L N -2.203 119.110 121.223 0.150 0.000 2.109 471 L HA -0.141 4.215 4.340 0.027 0.000 0.207 471 L C 2.578 179.590 176.870 0.236 0.000 1.086 471 L CA 1.526 56.454 54.840 0.146 0.000 0.760 471 L CB -0.715 41.359 42.059 0.024 0.000 0.910 471 L HN 0.606 nan 8.230 nan 0.000 0.437 472 Y N 1.343 121.728 120.300 0.141 0.000 2.128 472 Y HA -0.345 4.218 4.550 0.021 0.000 0.284 472 Y C 2.818 178.805 175.900 0.144 0.000 1.154 472 Y CA 1.861 60.049 58.100 0.146 0.000 1.149 472 Y CB -0.177 38.370 38.460 0.146 0.000 0.976 472 Y HN -0.032 nan 8.280 nan 0.000 0.505 473 R N -0.166 120.460 120.500 0.209 0.000 2.096 473 R HA -0.200 4.156 4.340 0.027 0.000 0.235 473 R C 2.046 178.359 176.300 0.022 0.000 1.127 473 R CA 1.927 58.074 56.100 0.077 0.000 0.968 473 R CB -1.459 28.955 30.300 0.189 0.000 0.861 473 R HN 0.649 nan 8.270 nan 0.000 0.440 474 W N 0.612 121.874 121.300 -0.064 0.000 2.335 474 W HA -0.174 4.502 4.660 0.026 0.000 0.311 474 W C 1.625 178.053 176.519 -0.151 0.000 1.213 474 W CA 2.127 59.418 57.345 -0.091 0.000 1.274 474 W CB -0.297 29.112 29.460 -0.086 0.000 1.148 474 W HN 0.092 nan 8.180 nan 0.000 0.498 475 I N 0.794 121.403 120.570 0.066 0.000 2.179 475 I HA -0.364 3.822 4.170 0.027 0.000 0.242 475 I C 2.493 178.416 176.117 -0.323 0.000 1.088 475 I CA 1.444 62.612 61.300 -0.221 0.000 1.357 475 I CB -0.827 37.095 38.000 -0.130 0.000 1.051 475 I HN -0.116 nan 8.210 nan 0.000 0.409 476 K N 0.390 120.606 120.400 -0.306 0.000 2.113 476 K HA -0.195 4.141 4.320 0.027 0.000 0.208 476 K C 2.292 178.754 176.600 -0.230 0.000 1.047 476 K CA 1.537 57.660 56.287 -0.274 0.000 0.928 476 K CB -0.570 31.720 32.500 -0.349 0.000 0.716 476 K HN 0.250 nan 8.250 nan 0.000 0.446 477 S N 0.712 116.240 115.700 -0.287 0.000 2.357 477 S HA -0.087 4.399 4.470 0.027 0.000 0.221 477 S C 2.037 176.410 174.600 -0.378 0.000 1.031 477 S CA 1.250 59.276 58.200 -0.290 0.000 0.982 477 S CB -0.118 62.906 63.200 -0.293 0.000 0.853 477 S HN 0.200 nan 8.310 nan 0.000 0.458 478 V N -0.667 118.868 119.914 -0.631 0.000 2.719 478 V HA 0.212 4.348 4.120 0.027 0.000 0.252 478 V C 0.311 176.166 176.094 -0.397 0.000 1.065 478 V CA 1.508 63.434 62.300 -0.622 0.000 1.086 478 V CB -0.388 30.819 31.823 -1.026 0.000 0.700 478 V HN 0.440 nan 8.190 nan 0.000 0.467 479 D N 0.269 120.488 120.400 -0.302 0.000 2.364 479 D HA 0.400 5.056 4.640 0.027 0.000 0.251 479 D C -2.388 173.899 176.300 -0.023 0.000 1.282 479 D CA -1.807 52.128 54.000 -0.109 0.000 0.927 479 D CB 1.758 42.584 40.800 0.042 0.000 1.267 479 D HN 0.162 nan 8.370 nan 0.000 0.531 480 P HA -0.008 nan 4.420 nan 0.000 0.241 480 P C 1.175 178.494 177.300 0.031 0.000 1.191 480 P CA 0.398 63.490 63.100 -0.013 0.000 0.771 480 P CB 0.181 31.867 31.700 -0.023 0.000 0.929 481 S N -1.335 114.393 115.700 0.045 0.000 2.515 481 S HA 0.030 4.516 4.470 0.027 0.000 0.231 481 S C 0.875 175.501 174.600 0.044 0.000 0.987 481 S CA 0.129 58.359 58.200 0.050 0.000 0.936 481 S CB -0.415 62.808 63.200 0.039 0.000 0.766 481 S HN 0.057 nan 8.310 nan 0.000 0.528 482 R N 0.870 121.407 120.500 0.063 0.000 2.673 482 R HA 0.536 4.892 4.340 0.027 0.000 0.281 482 R C -3.238 173.111 176.300 0.081 0.000 0.991 482 R CA -2.250 53.851 56.100 0.003 0.000 0.896 482 R CB 1.591 31.776 30.300 -0.193 0.000 1.201 482 R HN 0.126 nan 8.270 nan 0.000 0.457 483 P HA 0.087 nan 4.420 nan 0.000 0.272 483 P C -0.869 176.537 177.300 0.177 0.000 1.230 483 P CA -0.371 62.793 63.100 0.107 0.000 0.788 483 P CB 0.669 32.418 31.700 0.082 0.000 0.949 484 V N 2.642 122.686 119.914 0.217 0.000 2.459 484 V HA 0.415 4.551 4.120 0.027 0.000 0.295 484 V C 0.226 176.507 176.094 0.312 0.000 1.029 484 V CA -0.307 62.170 62.300 0.295 0.000 0.874 484 V CB 1.068 33.030 31.823 0.231 0.000 0.985 484 V HN 0.614 nan 8.190 nan 0.000 0.438 485 Q N 3.836 123.802 119.800 0.276 0.000 2.458 485 Q HA 0.822 5.179 4.340 0.027 0.000 0.282 485 Q C -1.831 174.337 176.000 0.281 0.000 1.106 485 Q CA -0.961 54.973 55.803 0.218 0.000 0.814 485 Q CB 3.022 31.836 28.738 0.127 0.000 1.425 485 Q HN 0.627 nan 8.270 nan 0.000 0.437 486 Y N 0.077 120.397 120.300 0.032 0.000 2.409 486 Y HA 0.146 4.710 4.550 0.024 0.000 0.321 486 Y C -0.718 175.135 175.900 -0.078 0.000 1.209 486 Y CA -0.785 57.305 58.100 -0.017 0.000 1.086 486 Y CB 2.001 40.441 38.460 -0.034 0.000 1.320 486 Y HN 0.950 nan 8.280 nan 0.000 0.440 487 E N 3.299 123.000 120.200 -0.831 0.000 2.400 487 E HA 0.161 4.527 4.350 0.027 0.000 0.195 487 E C 0.629 176.813 176.600 -0.694 0.000 1.012 487 E CA 0.693 56.734 56.400 -0.599 0.000 0.875 487 E CB 0.307 29.800 29.700 -0.346 0.000 0.859 487 E HN 0.884 nan 8.360 nan 0.000 0.498 488 G N -0.072 107.916 108.800 -1.352 0.000 2.559 488 G HA2 0.239 4.215 3.960 0.027 0.000 0.235 488 G HA3 0.239 4.215 3.960 0.027 0.000 0.235 488 G C 0.808 175.577 174.900 -0.217 0.000 1.266 488 G CA 0.283 45.008 45.100 -0.624 0.000 0.847 488 G HN 0.339 nan 8.290 nan 0.000 0.583 489 G N -0.743 108.039 108.800 -0.030 0.000 2.160 489 G HA2 0.227 4.203 3.960 0.027 0.000 0.251 489 G HA3 0.227 4.203 3.960 0.027 0.000 0.251 489 G C 1.267 176.192 174.900 0.041 0.000 1.008 489 G CA 1.043 46.184 45.100 0.067 0.000 0.724 489 G HN 2.613 nan 8.290 nan 0.000 0.514 490 G N -1.649 107.168 108.800 0.028 0.000 2.205 490 G HA2 0.426 4.403 3.960 0.027 0.000 0.180 490 G HA3 0.426 4.403 3.960 0.027 0.000 0.180 490 G C 1.069 176.100 174.900 0.218 0.000 1.004 490 G CA 1.265 46.446 45.100 0.135 0.000 0.670 490 G HN 2.335 nan 8.290 nan 0.000 0.496 491 A N -0.168 122.657 122.820 0.008 0.000 3.413 491 A HA -0.135 4.201 4.320 0.027 0.000 0.268 491 A C 1.128 178.642 177.584 -0.117 0.000 1.128 491 A CA 2.662 54.638 52.037 -0.102 0.000 1.062 491 A CB -1.747 17.172 19.000 -0.134 0.000 1.121 491 A HN 2.125 nan 8.150 nan 0.000 0.895 492 D N -0.986 119.430 120.400 0.026 0.000 2.760 492 D HA 0.295 4.951 4.640 0.027 0.000 0.314 492 D C 0.391 176.689 176.300 -0.003 0.000 1.464 492 D CA 0.866 54.885 54.000 0.032 0.000 0.797 492 D CB -1.128 39.832 40.800 0.267 0.000 1.149 492 D HN 0.816 nan 8.370 nan 0.000 0.455 493 T N -2.337 112.147 114.554 -0.118 0.000 2.753 493 T HA 0.214 4.580 4.350 0.027 0.000 0.309 493 T C 1.555 176.118 174.700 -0.228 0.000 1.043 493 T CA 0.487 62.453 62.100 -0.224 0.000 0.964 493 T CB 0.621 69.116 68.868 -0.622 0.000 1.206 493 T HN 0.055 nan 8.240 nan 0.000 0.528 494 T N -2.446 111.964 114.554 -0.240 0.000 3.163 494 T HA 0.278 4.645 4.350 0.027 0.000 0.260 494 T C 1.364 175.809 174.700 -0.425 0.000 1.156 494 T CA 0.181 62.151 62.100 -0.218 0.000 1.072 494 T CB -0.492 68.332 68.868 -0.074 0.000 0.937 494 T HN 0.826 nan 8.240 nan 0.000 0.528 495 A N 0.468 123.048 122.820 -0.401 0.000 2.545 495 A HA 0.544 4.880 4.320 0.027 0.000 0.277 495 A C 0.689 178.122 177.584 -0.253 0.000 1.301 495 A CA -0.421 51.365 52.037 -0.417 0.000 0.935 495 A CB 0.139 19.150 19.000 0.020 0.000 1.093 495 A HN 0.398 nan 8.150 nan 0.000 0.519 496 T N -1.273 113.138 114.554 -0.239 0.000 2.971 496 T HA 0.346 4.712 4.350 0.027 0.000 0.304 496 T C -0.666 174.059 174.700 0.042 0.000 1.038 496 T CA -0.417 61.692 62.100 0.015 0.000 1.007 496 T CB 1.221 70.085 68.868 -0.007 0.000 1.055 496 T HN 0.098 nan 8.240 nan 0.000 0.451 497 D N 2.926 123.433 120.400 0.178 0.000 2.348 497 D HA 0.265 4.921 4.640 0.027 0.000 0.211 497 D C 0.347 176.682 176.300 0.058 0.000 0.998 497 D CA 0.665 54.753 54.000 0.147 0.000 0.873 497 D CB 0.448 41.363 40.800 0.191 0.000 0.925 497 D HN 0.533 nan 8.370 nan 0.000 0.524 498 I N 0.987 121.573 120.570 0.027 0.000 2.545 498 I HA 0.253 4.439 4.170 0.027 0.000 0.292 498 I C -0.143 175.909 176.117 -0.107 0.000 1.040 498 I CA -0.881 60.399 61.300 -0.033 0.000 1.068 498 I CB 2.824 40.818 38.000 -0.011 0.000 1.251 498 I HN -0.353 nan 8.210 nan 0.000 0.424 499 I N 5.760 126.217 120.570 -0.188 0.000 2.505 499 I HA 0.040 4.227 4.170 0.027 0.000 0.287 499 I C 0.282 176.188 176.117 -0.352 0.000 1.104 499 I CA 0.024 61.110 61.300 -0.357 0.000 1.387 499 I CB 0.159 37.825 38.000 -0.556 0.000 1.404 499 I HN 0.690 nan 8.210 nan 0.000 0.528 500 C N 5.721 124.831 119.300 -0.317 0.000 3.163 500 C HA 0.457 4.933 4.460 0.027 0.000 0.228 500 C C -2.112 172.749 174.990 -0.216 0.000 1.593 500 C CA -2.367 56.520 59.018 -0.218 0.000 1.489 500 C CB -0.976 26.697 27.740 -0.111 0.000 2.294 500 C HN 0.416 nan 8.230 nan 0.000 0.508 501 P HA 0.206 nan 4.420 nan 0.000 0.270 501 P C -0.359 176.892 177.300 -0.082 0.000 1.227 501 P CA 0.664 63.667 63.100 -0.160 0.000 0.788 501 P CB 0.645 32.289 31.700 -0.092 0.000 0.926 502 M N 0.378 119.952 119.600 -0.044 0.000 2.181 502 M HA 0.442 4.938 4.480 0.027 0.000 0.323 502 M C -0.691 175.554 176.300 -0.092 0.000 1.004 502 M CA -0.708 54.452 55.300 -0.234 0.000 0.941 502 M CB 1.168 33.637 32.600 -0.218 0.000 1.579 502 M HN 0.335 nan 8.290 nan 0.000 0.427 503 Y N -0.424 120.060 120.300 0.306 0.000 4.490 503 Y HA -0.219 4.348 4.550 0.029 0.000 0.233 503 Y C 0.566 176.659 175.900 0.321 0.000 1.101 503 Y CA 0.410 58.699 58.100 0.314 0.000 2.010 503 Y CB -2.221 36.404 38.460 0.276 0.000 1.622 503 Y HN 0.975 nan 8.280 nan 0.000 0.675 504 A N 1.144 124.184 122.820 0.367 0.000 2.407 504 A HA 0.582 4.919 4.320 0.027 0.000 0.248 504 A C 0.722 178.536 177.584 0.383 0.000 1.082 504 A CA -0.414 51.850 52.037 0.379 0.000 0.785 504 A CB 0.400 19.663 19.000 0.439 0.000 1.020 504 A HN 0.411 nan 8.150 nan 0.000 0.489 505 R N 1.206 121.860 120.500 0.257 0.000 2.543 505 R HA 0.339 4.695 4.340 0.027 0.000 0.268 505 R C 1.014 177.292 176.300 -0.038 0.000 1.067 505 R CA -0.705 55.470 56.100 0.126 0.000 1.142 505 R CB 0.619 30.963 30.300 0.073 0.000 1.110 505 R HN 0.481 nan 8.270 nan 0.000 0.549 506 V N 0.688 120.418 119.914 -0.307 0.000 2.244 506 V HA -0.207 3.929 4.120 0.027 0.000 0.244 506 V C 0.982 176.963 176.094 -0.189 0.000 1.042 506 V CA 1.867 63.942 62.300 -0.375 0.000 1.006 506 V CB -0.251 31.213 31.823 -0.598 0.000 0.641 506 V HN 0.751 nan 8.190 nan 0.000 0.446 507 D N -1.453 118.869 120.400 -0.132 0.000 2.454 507 D HA 0.101 4.757 4.640 0.027 0.000 0.219 507 D C 0.928 177.213 176.300 -0.025 0.000 1.081 507 D CA 0.073 54.031 54.000 -0.070 0.000 0.867 507 D CB 0.615 41.378 40.800 -0.061 0.000 1.054 507 D HN 0.468 nan 8.370 nan 0.000 0.500 508 E N 1.922 122.110 120.200 -0.020 0.000 2.167 508 E HA 0.089 4.455 4.350 0.027 0.000 0.284 508 E C -0.770 175.828 176.600 -0.003 0.000 1.016 508 E CA -0.584 55.812 56.400 -0.007 0.000 0.817 508 E CB 0.846 30.543 29.700 -0.005 0.000 1.080 508 E HN -0.151 nan 8.360 nan 0.000 0.397 509 D N 3.633 124.032 120.400 -0.002 0.000 2.341 509 D HA 0.084 4.741 4.640 0.027 0.000 0.245 509 D C -0.498 175.680 176.300 -0.203 0.000 1.106 509 D CA 0.333 54.316 54.000 -0.029 0.000 0.905 509 D CB 1.031 41.884 40.800 0.087 0.000 1.202 509 D HN 0.419 nan 8.370 nan 0.000 0.426 510 Q N 1.453 120.996 119.800 -0.428 0.000 2.932 510 Q HA 0.241 4.597 4.340 0.027 0.000 0.248 510 Q C -2.225 173.064 176.000 -1.185 0.000 0.982 510 Q CA -1.513 53.819 55.803 -0.784 0.000 0.730 510 Q CB 2.193 30.486 28.738 -0.742 0.000 1.249 510 Q HN 0.163 nan 8.270 nan 0.000 0.476 511 P HA 0.019 nan 4.420 nan 0.000 0.226 511 P C -0.685 176.262 177.300 -0.587 0.000 1.783 511 P CA -0.141 62.476 63.100 -0.805 0.000 0.980 511 P CB -0.630 30.808 31.700 -0.437 0.000 1.967 512 F N 1.717 121.485 119.950 -0.302 0.000 2.553 512 F HA 0.151 4.694 4.527 0.026 0.000 0.356 512 F C -1.219 174.470 175.800 -0.184 0.000 1.142 512 F CA -2.211 55.672 58.000 -0.195 0.000 1.322 512 F CB -0.836 38.069 39.000 -0.157 0.000 1.126 512 F HN 0.067 nan 8.300 nan 0.000 0.599 513 P HA 0.152 nan 4.420 nan 0.000 0.271 513 P C 0.330 177.646 177.300 0.026 0.000 1.216 513 P CA 0.935 64.048 63.100 0.021 0.000 0.776 513 P CB 1.216 32.929 31.700 0.021 0.000 0.881 514 A N 2.708 125.537 122.820 0.015 0.000 3.275 514 A HA -0.238 4.098 4.320 0.027 0.000 0.241 514 A C 0.681 178.282 177.584 0.028 0.000 0.607 514 A CA 2.000 54.053 52.037 0.027 0.000 1.181 514 A CB -2.646 16.369 19.000 0.026 0.000 1.304 514 A HN 0.698 nan 8.150 nan 0.000 0.682 515 V N -3.200 116.726 119.914 0.019 0.000 2.502 515 V HA 0.551 4.687 4.120 0.027 0.000 0.261 515 V C -2.372 173.727 176.094 0.008 0.000 0.996 515 V CA -1.233 61.083 62.300 0.027 0.000 1.095 515 V CB 0.655 32.496 31.823 0.031 0.000 1.325 515 V HN 0.482 nan 8.190 nan 0.000 0.574 516 P HA 0.222 nan 4.420 nan 0.000 0.269 516 P C -0.594 176.314 177.300 -0.654 0.000 1.215 516 P CA 0.205 62.927 63.100 -0.630 0.000 0.780 516 P CB 0.986 31.827 31.700 -1.432 0.000 0.898 517 K N 2.178 122.233 120.400 -0.574 0.000 2.419 517 K HA 0.205 4.542 4.320 0.027 0.000 0.244 517 K C -0.425 175.871 176.600 -0.507 0.000 1.045 517 K CA -0.271 55.866 56.287 -0.250 0.000 1.004 517 K CB 0.402 33.032 32.500 0.218 0.000 1.376 517 K HN 0.466 nan 8.250 nan 0.000 0.460 518 W N 1.288 122.232 121.300 -0.592 0.000 2.093 518 W HA 0.060 4.737 4.660 0.028 0.000 0.352 518 W C 1.324 177.829 176.519 -0.023 0.000 1.294 518 W CA -0.425 56.682 57.345 -0.396 0.000 1.290 518 W CB 0.479 29.510 29.460 -0.716 0.000 1.149 518 W HN 0.376 nan 8.180 nan 0.000 0.606 519 S N 2.970 118.814 115.700 0.240 0.000 2.558 519 S HA -0.085 4.401 4.470 0.027 0.000 0.293 519 S C 1.206 175.953 174.600 0.245 0.000 1.292 519 S CA -0.081 58.216 58.200 0.161 0.000 1.063 519 S CB 0.136 63.384 63.200 0.079 0.000 0.831 519 S HN 0.521 nan 8.310 nan 0.000 0.499 520 I N 2.207 122.892 120.570 0.192 0.000 2.264 520 I HA -0.176 4.010 4.170 0.027 0.000 0.248 520 I C 2.055 178.198 176.117 0.044 0.000 1.111 520 I CA 1.382 62.794 61.300 0.186 0.000 1.382 520 I CB -0.440 37.617 38.000 0.096 0.000 1.060 520 I HN 0.610 nan 8.210 nan 0.000 0.418 521 K N 1.517 121.838 120.400 -0.132 0.000 2.057 521 K HA -0.176 4.160 4.320 0.027 0.000 0.207 521 K C 2.310 178.896 176.600 -0.024 0.000 1.049 521 K CA 1.869 57.989 56.287 -0.278 0.000 0.931 521 K CB -0.236 32.028 32.500 -0.394 0.000 0.714 521 K HN 0.401 nan 8.250 nan 0.000 0.440 522 K N 0.098 120.512 120.400 0.024 0.000 2.103 522 K HA -0.172 4.164 4.320 0.027 0.000 0.204 522 K C 1.897 178.523 176.600 0.043 0.000 1.052 522 K CA 0.878 57.171 56.287 0.009 0.000 0.945 522 K CB -0.084 32.393 32.500 -0.040 0.000 0.722 522 K HN 0.216 nan 8.250 nan 0.000 0.443 523 W N 2.122 123.406 121.300 -0.025 0.000 2.318 523 W HA -0.200 4.472 4.660 0.020 0.000 0.313 523 W C 1.646 178.143 176.519 -0.038 0.000 1.221 523 W CA 1.216 58.556 57.345 -0.009 0.000 1.266 523 W CB -0.682 28.844 29.460 0.110 0.000 1.150 523 W HN 0.094 nan 8.180 nan 0.000 0.496 524 L N 0.796 122.177 121.223 0.264 0.000 2.129 524 L HA -0.251 4.105 4.340 0.027 0.000 0.212 524 L C 2.188 179.124 176.870 0.109 0.000 1.087 524 L CA 1.997 56.923 54.840 0.143 0.000 0.757 524 L CB -0.992 41.134 42.059 0.112 0.000 0.896 524 L HN -0.003 nan 8.230 nan 0.000 0.434 525 S N -1.512 114.237 115.700 0.082 0.000 2.572 525 S HA 0.282 4.768 4.470 0.027 0.000 0.228 525 S C 0.526 175.115 174.600 -0.018 0.000 0.963 525 S CA -0.566 57.655 58.200 0.035 0.000 0.939 525 S CB -0.391 62.830 63.200 0.034 0.000 0.804 525 S HN 0.144 nan 8.310 nan 0.000 0.480 526 L N 1.806 123.008 121.223 -0.034 0.000 2.499 526 L HA 0.251 4.607 4.340 0.027 0.000 0.281 526 L C -2.227 174.607 176.870 -0.060 0.000 1.234 526 L CA -1.812 52.953 54.840 -0.124 0.000 0.839 526 L CB -0.379 41.568 42.059 -0.186 0.000 1.104 526 L HN 0.022 nan 8.230 nan 0.000 0.500 527 P HA -0.013 nan 4.420 nan 0.000 0.261 527 P C 0.728 178.019 177.300 -0.015 0.000 1.183 527 P CA 1.049 64.123 63.100 -0.043 0.000 0.761 527 P CB 0.558 32.228 31.700 -0.050 0.000 0.785 528 G N 1.787 110.585 108.800 -0.003 0.000 2.234 528 G HA2 -0.290 3.686 3.960 0.027 0.000 0.260 528 G HA3 -0.290 3.686 3.960 0.027 0.000 0.260 528 G C 0.314 175.228 174.900 0.023 0.000 0.987 528 G CA 0.222 45.328 45.100 0.010 0.000 0.625 528 G HN 0.620 nan 8.290 nan 0.000 0.532 529 E N 1.066 121.285 120.200 0.032 0.000 2.360 529 E HA 0.570 4.936 4.350 0.027 0.000 0.269 529 E C 1.332 177.955 176.600 0.038 0.000 1.022 529 E CA 0.821 57.252 56.400 0.052 0.000 0.887 529 E CB 0.698 30.456 29.700 0.097 0.000 0.990 529 E HN 0.580 nan 8.360 nan 0.000 0.426 530 T N 0.572 115.145 114.554 0.032 0.000 3.186 530 T HA 0.319 4.685 4.350 0.027 0.000 0.292 530 T C 0.523 175.231 174.700 0.013 0.000 0.915 530 T CA -0.506 61.607 62.100 0.023 0.000 0.902 530 T CB 0.048 68.928 68.868 0.021 0.000 1.192 530 T HN 0.257 nan 8.240 nan 0.000 0.563 531 R N 2.359 122.862 120.500 0.005 0.000 2.637 531 R HA 0.463 4.820 4.340 0.027 0.000 0.269 531 R C -2.464 173.814 176.300 -0.036 0.000 1.089 531 R CA -1.766 54.326 56.100 -0.013 0.000 1.177 531 R CB 0.112 30.396 30.300 -0.027 0.000 1.091 531 R HN 0.236 nan 8.270 nan 0.000 0.540 532 P HA 0.097 nan 4.420 nan 0.000 0.276 532 P C -1.096 176.134 177.300 -0.117 0.000 1.252 532 P CA -0.140 62.918 63.100 -0.070 0.000 0.802 532 P CB 0.740 32.399 31.700 -0.067 0.000 1.035 533 L N 2.315 123.449 121.223 -0.149 0.000 2.349 533 L HA 0.564 4.921 4.340 0.027 0.000 0.278 533 L C -0.986 175.742 176.870 -0.237 0.000 0.996 533 L CA -0.668 54.046 54.840 -0.210 0.000 0.825 533 L CB 0.641 42.574 42.059 -0.209 0.000 1.243 533 L HN 0.232 nan 8.230 nan 0.000 0.412 534 I N 5.697 126.134 120.570 -0.222 0.000 2.497 534 I HA 0.255 4.442 4.170 0.027 0.000 0.284 534 I C -0.712 175.313 176.117 -0.154 0.000 1.060 534 I CA -0.561 60.593 61.300 -0.244 0.000 1.071 534 I CB 1.937 39.851 38.000 -0.144 0.000 1.216 534 I HN 0.462 nan 8.210 nan 0.000 0.442 535 L N 5.519 126.617 121.223 -0.208 0.000 2.499 535 L HA -0.009 4.347 4.340 0.027 0.000 0.273 535 L C 1.540 178.495 176.870 0.142 0.000 1.195 535 L CA -0.043 54.751 54.840 -0.077 0.000 0.882 535 L CB 0.521 42.509 42.059 -0.118 0.000 1.133 535 L HN 0.876 nan 8.230 nan 0.000 0.483 536 C N 0.324 119.691 119.300 0.112 0.000 2.448 536 C HA 0.137 4.614 4.460 0.027 0.000 0.280 536 C C 0.625 175.790 174.990 0.292 0.000 1.398 536 C CA -0.165 58.976 59.018 0.205 0.000 1.774 536 C CB -1.051 26.720 27.740 0.052 0.000 1.888 536 C HN 0.826 nan 8.230 nan 0.000 0.519 537 E N -0.799 119.498 120.200 0.163 0.000 2.321 537 E HA 0.608 4.975 4.350 0.027 0.000 0.281 537 E C -1.357 175.226 176.600 -0.028 0.000 0.910 537 E CA -0.397 56.089 56.400 0.143 0.000 0.770 537 E CB 1.942 31.539 29.700 -0.172 0.000 1.225 537 E HN 0.681 nan 8.360 nan 0.000 0.417 538 Y N -1.039 119.291 120.300 0.049 0.000 2.689 538 Y HA 0.636 5.204 4.550 0.029 0.000 0.333 538 Y C -0.749 175.342 175.900 0.319 0.000 1.208 538 Y CA -0.938 57.192 58.100 0.050 0.000 1.055 538 Y CB 0.895 39.209 38.460 -0.243 0.000 1.304 538 Y HN 0.659 nan 8.280 nan 0.000 0.455 539 A N 1.987 124.883 122.820 0.127 0.000 2.183 539 A HA -0.265 4.071 4.320 0.027 0.000 0.278 539 A C -0.466 177.246 177.584 0.214 0.000 1.404 539 A CA 1.061 53.161 52.037 0.105 0.000 0.737 539 A CB -2.394 16.564 19.000 -0.070 0.000 1.172 539 A HN 1.086 nan 8.150 nan 0.000 0.338 540 H N 1.087 120.303 119.070 0.243 0.000 3.215 540 H HA 0.303 4.876 4.556 0.027 0.000 0.253 540 H C 1.067 176.446 175.328 0.085 0.000 1.102 540 H CA 0.749 56.945 56.048 0.247 0.000 1.482 540 H CB 0.372 30.142 29.762 0.012 0.000 1.542 540 H HN 0.809 nan 8.280 nan 0.000 0.498 541 A N 6.657 129.371 122.820 -0.177 0.000 2.916 541 A HA 0.070 4.406 4.320 0.027 0.000 0.254 541 A C 0.814 178.204 177.584 -0.324 0.000 1.544 541 A CA -0.378 51.524 52.037 -0.225 0.000 1.224 541 A CB -0.660 18.221 19.000 -0.199 0.000 1.012 541 A HN 0.790 nan 8.150 nan 0.000 0.636 542 M N 1.427 120.826 119.600 -0.334 0.000 2.105 542 M HA 0.461 4.957 4.480 0.027 0.000 0.350 542 M C 0.959 177.018 176.300 -0.403 0.000 1.308 542 M CA 1.181 56.280 55.300 -0.336 0.000 1.108 542 M CB -0.004 32.474 32.600 -0.205 0.000 1.622 542 M HN 0.833 nan 8.290 nan 0.000 0.468 543 G N 4.176 112.665 108.800 -0.518 0.000 2.547 543 G HA2 -0.332 3.644 3.960 0.027 0.000 0.271 543 G HA3 -0.332 3.644 3.960 0.027 0.000 0.271 543 G C -0.274 174.021 174.900 -1.008 0.000 1.209 543 G CA -0.031 44.611 45.100 -0.763 0.000 0.959 543 G HN 0.838 nan 8.290 nan 0.000 0.563 544 N N 1.187 119.189 118.700 -1.164 0.000 2.421 544 N HA 0.506 5.262 4.740 0.027 0.000 0.260 544 N C 0.048 175.262 175.510 -0.493 0.000 1.173 544 N CA 1.083 53.618 53.050 -0.859 0.000 0.960 544 N CB 0.532 38.537 38.487 -0.804 0.000 1.273 544 N HN 0.858 nan 8.380 nan 0.000 0.497 545 S N 2.177 117.664 115.700 -0.355 0.000 2.973 545 S HA 0.583 5.069 4.470 0.027 0.000 0.317 545 S C -0.181 174.325 174.600 -0.157 0.000 1.196 545 S CA -0.322 57.734 58.200 -0.239 0.000 0.894 545 S CB -0.003 63.060 63.200 -0.227 0.000 1.292 545 S HN 0.368 nan 8.310 nan 0.000 0.614 546 L N 0.087 121.260 121.223 -0.083 0.000 4.793 546 L HA -0.055 4.301 4.340 0.027 0.000 0.404 546 L C 0.486 177.388 176.870 0.054 0.000 1.022 546 L CA 0.902 55.725 54.840 -0.028 0.000 1.242 546 L CB -1.696 40.261 42.059 -0.171 0.000 2.049 546 L HN 0.725 nan 8.230 nan 0.000 0.637 547 G N -0.736 108.065 108.800 0.001 0.000 2.361 547 G HA2 0.484 4.461 3.960 0.027 0.000 0.260 547 G HA3 0.484 4.461 3.960 0.027 0.000 0.260 547 G C 1.210 176.146 174.900 0.061 0.000 1.261 547 G CA 0.216 45.297 45.100 -0.032 0.000 0.897 547 G HN 1.353 nan 8.290 nan 0.000 0.499 548 G N 1.855 110.690 108.800 0.059 0.000 2.157 548 G HA2 -0.313 3.663 3.960 0.027 0.000 0.248 548 G HA3 -0.313 3.663 3.960 0.027 0.000 0.248 548 G C 0.958 176.043 174.900 0.309 0.000 0.979 548 G CA 0.669 45.862 45.100 0.154 0.000 0.650 548 G HN 0.761 nan 8.290 nan 0.000 0.529 549 F N 1.756 121.824 119.950 0.198 0.000 2.126 549 F HA 0.116 4.660 4.527 0.028 0.000 0.299 549 F C 2.667 178.681 175.800 0.356 0.000 1.096 549 F CA 2.582 60.772 58.000 0.316 0.000 1.255 549 F CB -0.419 38.706 39.000 0.209 0.000 0.997 549 F HN 0.345 nan 8.300 nan 0.000 0.479 550 A N -0.323 122.680 122.820 0.305 0.000 1.972 550 A HA -0.242 4.094 4.320 0.027 0.000 0.219 550 A C 2.284 179.897 177.584 0.048 0.000 1.169 550 A CA 1.747 53.887 52.037 0.172 0.000 0.635 550 A CB -0.819 18.283 19.000 0.170 0.000 0.810 550 A HN 0.455 nan 8.150 nan 0.000 0.446 551 K N -1.591 118.821 120.400 0.021 0.000 2.097 551 K HA -0.186 4.150 4.320 0.027 0.000 0.206 551 K C 1.683 178.068 176.600 -0.359 0.000 1.049 551 K CA 1.703 57.916 56.287 -0.124 0.000 0.933 551 K CB -0.307 32.127 32.500 -0.111 0.000 0.717 551 K HN 0.600 nan 8.250 nan 0.000 0.442 552 Y N -1.087 118.943 120.300 -0.450 0.000 2.200 552 Y HA -0.207 4.358 4.550 0.026 0.000 0.290 552 Y C 1.918 176.851 175.900 -1.612 0.000 1.137 552 Y CA 1.327 58.797 58.100 -1.049 0.000 1.163 552 Y CB -0.209 37.589 38.460 -1.104 0.000 0.988 552 Y HN 0.165 nan 8.280 nan 0.000 0.518 553 W N -0.023 120.852 121.300 -0.707 0.000 2.388 553 W HA -0.176 4.501 4.660 0.030 0.000 0.294 553 W C 2.593 178.935 176.519 -0.295 0.000 1.212 553 W CA 1.366 58.411 57.345 -0.499 0.000 1.271 553 W CB -0.489 28.770 29.460 -0.335 0.000 1.126 553 W HN 0.032 nan 8.180 nan 0.000 0.535 554 Q N 0.733 120.447 119.800 -0.143 0.000 2.119 554 Q HA -0.143 4.213 4.340 0.027 0.000 0.201 554 Q C 2.178 178.120 176.000 -0.097 0.000 0.972 554 Q CA 1.907 57.669 55.803 -0.070 0.000 0.847 554 Q CB -0.501 28.208 28.738 -0.047 0.000 0.903 554 Q HN 0.265 nan 8.270 nan 0.000 0.433 555 A N 0.078 122.750 122.820 -0.247 0.000 1.873 555 A HA -0.112 4.225 4.320 0.027 0.000 0.215 555 A C 2.041 179.595 177.584 -0.050 0.000 1.186 555 A CA 1.057 52.982 52.037 -0.187 0.000 0.616 555 A CB -1.091 17.682 19.000 -0.378 0.000 0.823 555 A HN 0.473 nan 8.150 nan 0.000 0.442 556 F N -0.396 119.370 119.950 -0.307 0.000 2.126 556 F HA -0.234 4.310 4.527 0.027 0.000 0.299 556 F C 2.766 178.461 175.800 -0.175 0.000 1.096 556 F CA 1.197 58.984 58.000 -0.355 0.000 1.255 556 F CB -0.156 38.397 39.000 -0.745 0.000 0.997 556 F HN 0.168 nan 8.300 nan 0.000 0.479 557 R N -0.056 120.493 120.500 0.082 0.000 2.153 557 R HA -0.141 4.215 4.340 0.027 0.000 0.218 557 R C 2.086 178.420 176.300 0.056 0.000 1.072 557 R CA 0.939 57.074 56.100 0.059 0.000 0.990 557 R CB -0.319 30.011 30.300 0.051 0.000 0.889 557 R HN 0.378 nan 8.270 nan 0.000 0.452 558 Q N -0.351 119.511 119.800 0.105 0.000 2.269 558 Q HA -0.047 4.309 4.340 0.027 0.000 0.201 558 Q C -0.505 175.518 176.000 0.038 0.000 0.946 558 Q CA 0.870 56.721 55.803 0.079 0.000 0.877 558 Q CB 0.414 29.231 28.738 0.131 0.000 0.963 558 Q HN 0.181 nan 8.270 nan 0.000 0.472 559 Y N 0.011 120.292 120.300 -0.032 0.000 2.342 559 Y HA 0.286 4.850 4.550 0.024 0.000 0.338 559 Y C -1.808 174.065 175.900 -0.045 0.000 0.965 559 Y CA -2.782 55.299 58.100 -0.032 0.000 1.159 559 Y CB 1.596 40.042 38.460 -0.023 0.000 1.157 559 Y HN 0.088 nan 8.280 nan 0.000 0.486 560 P HA -0.191 nan 4.420 nan 0.000 0.214 560 P C 1.167 178.469 177.300 0.004 0.000 1.163 560 P CA 1.953 65.056 63.100 0.005 0.000 0.889 560 P CB 0.299 31.987 31.700 -0.020 0.000 0.790 561 R N -1.220 119.303 120.500 0.037 0.000 2.316 561 R HA 0.061 4.417 4.340 0.027 0.000 0.202 561 R C 0.483 176.760 176.300 -0.038 0.000 1.029 561 R CA 0.203 56.305 56.100 0.003 0.000 1.018 561 R CB -0.553 29.760 30.300 0.021 0.000 0.888 561 R HN 0.244 nan 8.270 nan 0.000 0.471 562 L N 1.795 123.011 121.223 -0.011 0.000 2.302 562 L HA 0.125 4.482 4.340 0.027 0.000 0.285 562 L C 0.581 177.298 176.870 -0.254 0.000 1.090 562 L CA 0.136 54.914 54.840 -0.103 0.000 0.866 562 L CB 1.130 43.200 42.059 0.019 0.000 1.244 562 L HN 0.078 nan 8.230 nan 0.000 0.435 563 Q N 2.679 122.255 119.800 -0.373 0.000 2.201 563 Q HA 0.300 4.656 4.340 0.027 0.000 0.217 563 Q C 0.833 176.413 176.000 -0.701 0.000 0.860 563 Q CA 0.127 55.677 55.803 -0.422 0.000 0.984 563 Q CB 0.983 29.568 28.738 -0.256 0.000 1.095 563 Q HN 0.956 nan 8.270 nan 0.000 0.477 564 G N -0.354 107.656 108.800 -1.317 0.000 2.384 564 G HA2 0.115 4.092 3.960 0.027 0.000 0.200 564 G HA3 0.115 4.092 3.960 0.027 0.000 0.200 564 G C -0.341 173.698 174.900 -1.436 0.000 1.205 564 G CA -0.746 43.199 45.100 -1.926 0.000 1.116 564 G HN 0.556 nan 8.290 nan 0.000 0.547 565 G N -2.095 106.168 108.800 -0.895 0.000 2.356 565 G HA2 0.633 4.609 3.960 0.027 0.000 0.294 565 G HA3 0.633 4.609 3.960 0.027 0.000 0.294 565 G C -1.812 172.969 174.900 -0.198 0.000 1.423 565 G CA -0.325 44.463 45.100 -0.520 0.000 0.806 565 G HN 1.117 nan 8.290 nan 0.000 0.527 566 F N 0.723 120.923 119.950 0.416 0.000 2.375 566 F HA 0.520 5.062 4.527 0.025 0.000 0.361 566 F C 0.829 176.925 175.800 0.493 0.000 1.117 566 F CA -0.736 57.522 58.000 0.430 0.000 1.037 566 F CB 2.030 41.182 39.000 0.254 0.000 1.192 566 F HN 0.259 nan 8.300 nan 0.000 0.452 567 V N 3.375 123.580 119.914 0.484 0.000 2.872 567 V HA -0.127 4.009 4.120 0.027 0.000 0.307 567 V C -0.264 175.973 176.094 0.239 0.000 1.072 567 V CA -0.264 62.109 62.300 0.122 0.000 1.148 567 V CB 0.857 32.778 31.823 0.163 0.000 0.954 567 V HN 0.757 nan 8.190 nan 0.000 0.490 568 W N 6.398 127.797 121.300 0.166 0.000 2.278 568 W HA 0.448 5.124 4.660 0.026 0.000 0.317 568 W C -0.838 175.713 176.519 0.054 0.000 1.030 568 W CA -0.639 56.846 57.345 0.232 0.000 1.334 568 W CB 1.204 30.989 29.460 0.541 0.000 1.215 568 W HN 0.920 nan 8.180 nan 0.000 0.405 569 D N 2.739 122.832 120.400 -0.511 0.000 2.825 569 D HA 0.077 4.733 4.640 0.027 0.000 0.327 569 D C 0.649 176.757 176.300 -0.321 0.000 1.277 569 D CA -0.542 53.025 54.000 -0.723 0.000 0.950 569 D CB 0.198 39.965 40.800 -1.722 0.000 1.438 569 D HN 0.398 nan 8.370 nan 0.000 0.526 570 W N 0.457 121.478 121.300 -0.464 0.000 2.381 570 W HA 0.108 4.784 4.660 0.027 0.000 0.321 570 W C -0.002 176.361 176.519 -0.260 0.000 1.196 570 W CA 1.269 58.406 57.345 -0.346 0.000 1.304 570 W CB 0.254 29.522 29.460 -0.321 0.000 1.166 570 W HN 0.149 nan 8.180 nan 0.000 0.473 571 V N 2.588 122.302 119.914 -0.333 0.000 2.656 571 V HA 0.242 4.378 4.120 0.027 0.000 0.307 571 V C -0.819 175.130 176.094 -0.242 0.000 1.051 571 V CA -0.809 61.258 62.300 -0.389 0.000 0.893 571 V CB 1.514 33.190 31.823 -0.245 0.000 0.999 571 V HN -0.081 nan 8.190 nan 0.000 0.426 572 D N 4.030 124.296 120.400 -0.224 0.000 2.455 572 D HA 0.118 4.774 4.640 0.027 0.000 0.241 572 D C 0.245 176.401 176.300 -0.239 0.000 1.138 572 D CA 0.574 54.478 54.000 -0.159 0.000 0.877 572 D CB 0.931 41.702 40.800 -0.048 0.000 1.187 572 D HN 0.609 nan 8.370 nan 0.000 0.451 573 Q N 1.036 120.621 119.800 -0.359 0.000 3.122 573 Q HA 0.125 4.481 4.340 0.027 0.000 0.360 573 Q C -0.075 175.827 176.000 -0.164 0.000 1.300 573 Q CA -0.332 54.981 55.803 -0.816 0.000 0.982 573 Q CB 0.068 28.485 28.738 -0.534 0.000 1.534 573 Q HN 0.352 nan 8.270 nan 0.000 0.474 574 S N -0.101 115.626 115.700 0.044 0.000 2.586 574 S HA 0.585 5.071 4.470 0.027 0.000 0.274 574 S C -0.106 174.653 174.600 0.265 0.000 1.281 574 S CA -0.729 57.623 58.200 0.253 0.000 1.035 574 S CB 1.320 64.659 63.200 0.232 0.000 0.962 574 S HN 0.343 nan 8.310 nan 0.000 0.512 575 L N 2.128 123.436 121.223 0.143 0.000 2.342 575 L HA 0.528 4.884 4.340 0.027 0.000 0.271 575 L C -0.313 176.460 176.870 -0.162 0.000 1.008 575 L CA -1.205 53.601 54.840 -0.057 0.000 0.818 575 L CB 1.473 43.379 42.059 -0.254 0.000 1.296 575 L HN 0.564 nan 8.230 nan 0.000 0.427 576 I N 2.344 122.766 120.570 -0.248 0.000 2.474 576 I HA 0.255 4.441 4.170 0.027 0.000 0.287 576 I C 0.160 175.872 176.117 -0.675 0.000 1.048 576 I CA -0.023 61.000 61.300 -0.462 0.000 1.383 576 I CB 1.101 38.841 38.000 -0.433 0.000 1.412 576 I HN 0.590 nan 8.210 nan 0.000 0.531 577 K N 5.185 124.898 120.400 -1.144 0.000 2.352 577 K HA 0.565 4.901 4.320 0.027 0.000 0.240 577 K C -1.553 174.216 176.600 -1.386 0.000 1.017 577 K CA -0.714 54.830 56.287 -1.240 0.000 0.851 577 K CB 2.224 33.754 32.500 -1.616 0.000 1.261 577 K HN 0.231 nan 8.250 nan 0.000 0.451 578 Y N 0.800 120.872 120.300 -0.381 0.000 2.393 578 Y HA 0.135 4.701 4.550 0.027 0.000 0.341 578 Y C 0.215 176.214 175.900 0.165 0.000 0.988 578 Y CA -1.038 57.013 58.100 -0.081 0.000 1.078 578 Y CB 1.237 39.665 38.460 -0.053 0.000 1.203 578 Y HN 0.680 nan 8.280 nan 0.000 0.453 579 D N 0.034 120.684 120.400 0.417 0.000 2.440 579 D HA 0.051 4.707 4.640 0.027 0.000 0.269 579 D C 0.595 177.005 176.300 0.183 0.000 1.249 579 D CA -0.395 53.795 54.000 0.317 0.000 1.055 579 D CB 0.509 41.423 40.800 0.191 0.000 1.104 579 D HN 0.666 nan 8.370 nan 0.000 0.561 580 E N -0.738 119.530 120.200 0.113 0.000 2.160 580 E HA -0.190 4.176 4.350 0.027 0.000 0.195 580 E C 0.979 177.618 176.600 0.064 0.000 0.991 580 E CA 1.129 57.571 56.400 0.070 0.000 0.810 580 E CB -0.436 29.287 29.700 0.037 0.000 0.742 580 E HN 0.312 nan 8.360 nan 0.000 0.466 581 N N -0.055 118.691 118.700 0.076 0.000 2.398 581 N HA 0.063 4.820 4.740 0.027 0.000 0.188 581 N C 0.968 176.526 175.510 0.080 0.000 1.122 581 N CA 0.912 54.001 53.050 0.065 0.000 0.866 581 N CB 1.102 39.624 38.487 0.059 0.000 0.970 581 N HN 0.392 nan 8.380 nan 0.000 0.462 582 G N 0.469 109.342 108.800 0.121 0.000 2.157 582 G HA2 -0.245 3.731 3.960 0.027 0.000 0.248 582 G HA3 -0.245 3.731 3.960 0.027 0.000 0.248 582 G C -0.191 174.855 174.900 0.243 0.000 0.979 582 G CA -0.404 44.775 45.100 0.131 0.000 0.650 582 G HN 0.275 nan 8.290 nan 0.000 0.529 583 N N 2.068 120.909 118.700 0.235 0.000 2.499 583 N HA 0.431 5.187 4.740 0.027 0.000 0.281 583 N C -2.454 173.207 175.510 0.252 0.000 1.098 583 N CA -1.086 52.102 53.050 0.230 0.000 0.979 583 N CB 1.680 40.261 38.487 0.157 0.000 1.121 583 N HN 0.188 nan 8.380 nan 0.000 0.466 584 P HA 0.189 nan 4.420 nan 0.000 0.275 584 P C -0.474 176.792 177.300 -0.057 0.000 1.228 584 P CA -0.190 62.773 63.100 -0.229 0.000 0.786 584 P CB 0.594 32.174 31.700 -0.200 0.000 0.927 585 W N -0.465 120.585 121.300 -0.417 0.000 3.167 585 W HA 0.419 5.095 4.660 0.027 0.000 0.324 585 W C -1.473 174.859 176.519 -0.312 0.000 1.230 585 W CA -1.069 56.046 57.345 -0.384 0.000 1.184 585 W CB 0.370 29.394 29.460 -0.727 0.000 1.414 585 W HN 0.113 nan 8.180 nan 0.000 0.551 586 S N 1.746 117.522 115.700 0.127 0.000 2.474 586 S HA 0.568 5.054 4.470 0.027 0.000 0.276 586 S C 0.193 174.962 174.600 0.283 0.000 1.227 586 S CA -0.208 58.062 58.200 0.115 0.000 1.050 586 S CB 0.798 64.119 63.200 0.203 0.000 0.939 586 S HN 0.606 nan 8.310 nan 0.000 0.490 587 A N 3.039 125.888 122.820 0.049 0.000 2.330 587 A HA 0.891 5.227 4.320 0.027 0.000 0.329 587 A C -0.687 177.160 177.584 0.439 0.000 1.135 587 A CA -0.767 51.350 52.037 0.133 0.000 0.817 587 A CB 0.718 19.474 19.000 -0.407 0.000 1.269 587 A HN 0.836 nan 8.150 nan 0.000 0.469 588 Y N -0.786 119.827 120.300 0.522 0.000 2.944 588 Y HA 0.773 5.339 4.550 0.027 0.000 0.312 588 Y C 0.684 176.941 175.900 0.596 0.000 1.417 588 Y CA -1.372 57.039 58.100 0.517 0.000 1.105 588 Y CB -0.104 38.500 38.460 0.241 0.000 1.364 588 Y HN 0.929 nan 8.280 nan 0.000 0.540 589 G N -0.125 109.080 108.800 0.675 0.000 2.224 589 G HA2 0.355 4.331 3.960 0.027 0.000 0.239 589 G HA3 0.355 4.331 3.960 0.027 0.000 0.239 589 G C 0.977 176.187 174.900 0.516 0.000 1.240 589 G CA 0.482 45.893 45.100 0.519 0.000 0.896 589 G HN 1.989 nan 8.290 nan 0.000 0.496 590 G N 2.172 111.235 108.800 0.439 0.000 2.253 590 G HA2 -0.287 3.689 3.960 0.027 0.000 0.251 590 G HA3 -0.287 3.689 3.960 0.027 0.000 0.251 590 G C 0.929 176.010 174.900 0.302 0.000 0.998 590 G CA 0.705 46.006 45.100 0.335 0.000 0.621 590 G HN 0.649 nan 8.290 nan 0.000 0.524 591 D N -0.214 120.374 120.400 0.313 0.000 2.378 591 D HA 0.116 4.772 4.640 0.027 0.000 0.222 591 D C 1.337 177.489 176.300 -0.248 0.000 0.980 591 D CA 0.551 54.571 54.000 0.033 0.000 0.907 591 D CB -0.195 40.569 40.800 -0.061 0.000 0.899 591 D HN 0.488 nan 8.370 nan 0.000 0.527 592 F N -0.883 119.192 119.950 0.208 0.000 2.654 592 F HA 0.311 4.854 4.527 0.027 0.000 0.303 592 F C 1.785 177.670 175.800 0.142 0.000 1.099 592 F CA -0.138 57.944 58.000 0.138 0.000 1.270 592 F CB 0.800 39.884 39.000 0.139 0.000 1.024 592 F HN -0.046 nan 8.300 nan 0.000 0.548 593 G N 0.329 109.281 108.800 0.253 0.000 2.176 593 G HA2 -0.268 3.708 3.960 0.027 0.000 0.253 593 G HA3 -0.268 3.708 3.960 0.027 0.000 0.253 593 G C -0.205 174.827 174.900 0.221 0.000 0.979 593 G CA 0.089 45.308 45.100 0.198 0.000 0.641 593 G HN 0.401 nan 8.290 nan 0.000 0.530 594 D N 0.615 121.193 120.400 0.298 0.000 2.417 594 D HA 0.490 5.147 4.640 0.027 0.000 0.250 594 D C 0.134 176.548 176.300 0.190 0.000 1.166 594 D CA 0.956 55.116 54.000 0.268 0.000 0.881 594 D CB 1.555 42.568 40.800 0.354 0.000 1.164 594 D HN 0.455 nan 8.370 nan 0.000 0.467 595 T N 1.164 115.801 114.554 0.138 0.000 3.097 595 T HA 0.439 4.805 4.350 0.027 0.000 0.332 595 T C -2.790 171.945 174.700 0.059 0.000 1.269 595 T CA -1.140 61.014 62.100 0.091 0.000 1.076 595 T CB 1.187 70.111 68.868 0.093 0.000 1.209 595 T HN 0.231 nan 8.240 nan 0.000 0.474 596 P HA 0.543 nan 4.420 nan 0.000 0.274 596 P C -0.964 176.328 177.300 -0.013 0.000 1.256 596 P CA -0.376 62.727 63.100 0.004 0.000 0.795 596 P CB 0.371 32.052 31.700 -0.032 0.000 1.038 597 N N -2.017 116.671 118.700 -0.021 0.000 2.732 597 N HA 0.276 5.033 4.740 0.027 0.000 0.259 597 N C -1.092 174.365 175.510 -0.089 0.000 1.402 597 N CA -0.746 52.263 53.050 -0.068 0.000 0.829 597 N CB 0.689 39.220 38.487 0.074 0.000 1.495 597 N HN 0.063 nan 8.380 nan 0.000 0.511 598 D N -0.338 119.949 120.400 -0.189 0.000 2.525 598 D HA 0.132 4.788 4.640 0.027 0.000 0.229 598 D C 0.487 176.983 176.300 0.327 0.000 1.202 598 D CA -0.101 53.871 54.000 -0.046 0.000 0.828 598 D CB 0.056 40.692 40.800 -0.274 0.000 1.008 598 D HN 0.725 nan 8.370 nan 0.000 0.493 599 R N 0.825 121.528 120.500 0.338 0.000 3.750 599 R HA -0.319 4.037 4.340 0.027 0.000 0.495 599 R C 1.094 177.473 176.300 0.132 0.000 0.241 599 R CA 1.500 57.814 56.100 0.358 0.000 1.551 599 R CB -1.612 28.817 30.300 0.215 0.000 0.956 599 R HN 0.139 nan 8.270 nan 0.000 0.584 600 Q N 1.520 121.046 119.800 -0.457 0.000 2.482 600 Q HA -0.014 4.342 4.340 0.027 0.000 0.209 600 Q C 1.595 177.300 176.000 -0.491 0.000 0.961 600 Q CA 1.374 56.701 55.803 -0.794 0.000 0.945 600 Q CB -0.005 28.013 28.738 -1.199 0.000 1.012 600 Q HN 0.609 nan 8.270 nan 0.000 0.515 601 F N 1.525 121.413 119.950 -0.104 0.000 2.494 601 F HA -0.136 4.408 4.527 0.027 0.000 0.298 601 F C 2.280 178.024 175.800 -0.095 0.000 1.106 601 F CA 1.119 59.123 58.000 0.007 0.000 1.452 601 F CB -0.209 38.872 39.000 0.135 0.000 1.085 601 F HN 0.427 nan 8.300 nan 0.000 0.569 602 C N -1.199 117.823 119.300 -0.463 0.000 2.539 602 C HA 0.217 4.694 4.460 0.027 0.000 0.271 602 C C 0.973 175.768 174.990 -0.324 0.000 1.412 602 C CA -0.480 58.065 59.018 -0.788 0.000 1.729 602 C CB -1.683 24.972 27.740 -1.808 0.000 1.739 602 C HN 0.211 nan 8.230 nan 0.000 0.570 603 M N 2.512 121.977 119.600 -0.225 0.000 2.027 603 M HA 0.288 4.784 4.480 0.027 0.000 0.329 603 M C -0.446 175.759 176.300 -0.159 0.000 0.971 603 M CA 0.310 55.516 55.300 -0.158 0.000 0.933 603 M CB 0.214 32.742 32.600 -0.119 0.000 1.392 603 M HN 0.346 nan 8.290 nan 0.000 0.394 604 N N 0.985 119.611 118.700 -0.125 0.000 2.305 604 N HA 0.211 4.967 4.740 0.027 0.000 0.248 604 N C 0.239 175.608 175.510 -0.235 0.000 1.290 604 N CA -0.553 52.385 53.050 -0.187 0.000 0.873 604 N CB 1.293 39.780 38.487 0.001 0.000 1.261 604 N HN 0.654 nan 8.380 nan 0.000 0.504 605 G N -0.090 108.583 108.800 -0.212 0.000 2.477 605 G HA2 0.374 4.350 3.960 0.027 0.000 0.304 605 G HA3 0.374 4.350 3.960 0.027 0.000 0.304 605 G C 0.696 175.478 174.900 -0.196 0.000 1.175 605 G CA -0.561 44.379 45.100 -0.266 0.000 0.907 605 G HN 0.093 nan 8.290 nan 0.000 0.509 606 L N -0.295 120.742 121.223 -0.311 0.000 2.395 606 L HA 0.111 4.467 4.340 0.027 0.000 0.218 606 L C 0.906 177.509 176.870 -0.445 0.000 1.130 606 L CA 0.428 55.105 54.840 -0.273 0.000 0.826 606 L CB -0.258 41.636 42.059 -0.275 0.000 0.941 606 L HN 0.385 nan 8.230 nan 0.000 0.451 607 V N -5.088 114.387 119.914 -0.731 0.000 3.001 607 V HA 0.466 4.602 4.120 0.027 0.000 0.314 607 V C -0.299 175.312 176.094 -0.805 0.000 1.099 607 V CA -1.253 60.545 62.300 -0.836 0.000 0.989 607 V CB 1.683 32.988 31.823 -0.863 0.000 1.040 607 V HN -0.143 nan 8.190 nan 0.000 0.434 608 F N 1.590 121.110 119.950 -0.716 0.000 2.440 608 F HA 0.560 5.103 4.527 0.028 0.000 0.323 608 F C 1.931 177.555 175.800 -0.294 0.000 1.192 608 F CA 0.598 58.318 58.000 -0.466 0.000 1.252 608 F CB 1.079 39.859 39.000 -0.367 0.000 1.214 608 F HN 0.795 nan 8.300 nan 0.000 0.578 609 A N 0.848 123.702 122.820 0.057 0.000 2.032 609 A HA -0.236 4.101 4.320 0.027 0.000 0.221 609 A C 1.590 179.131 177.584 -0.072 0.000 1.165 609 A CA 1.933 53.977 52.037 0.012 0.000 0.645 609 A CB -0.961 18.090 19.000 0.084 0.000 0.807 609 A HN 0.795 nan 8.150 nan 0.000 0.453 610 D N -3.026 117.335 120.400 -0.066 0.000 2.319 610 D HA 0.167 4.823 4.640 0.027 0.000 0.230 610 D C 0.713 176.968 176.300 -0.075 0.000 1.094 610 D CA -0.006 53.933 54.000 -0.103 0.000 0.856 610 D CB -0.070 40.669 40.800 -0.102 0.000 0.915 610 D HN 0.246 nan 8.370 nan 0.000 0.517 611 R N -1.986 118.461 120.500 -0.088 0.000 3.728 611 R HA -0.122 4.234 4.340 0.027 0.000 0.478 611 R C -0.230 176.022 176.300 -0.081 0.000 0.932 611 R CA 1.213 57.258 56.100 -0.091 0.000 1.317 611 R CB -3.080 27.216 30.300 -0.006 0.000 1.987 611 R HN 0.257 nan 8.270 nan 0.000 0.509 612 T N 2.642 117.168 114.554 -0.047 0.000 2.901 612 T HA 0.339 4.705 4.350 0.027 0.000 0.301 612 T C -2.309 172.376 174.700 -0.024 0.000 1.012 612 T CA -0.722 61.368 62.100 -0.016 0.000 1.135 612 T CB 1.009 69.862 68.868 -0.025 0.000 0.936 612 T HN -0.094 nan 8.240 nan 0.000 0.539 613 P HA 0.250 nan 4.420 nan 0.000 0.275 613 P C -0.306 176.902 177.300 -0.153 0.000 1.228 613 P CA -0.287 62.724 63.100 -0.149 0.000 0.786 613 P CB 0.447 32.112 31.700 -0.058 0.000 0.927 614 H N 2.424 121.335 119.070 -0.265 0.000 2.509 614 H HA 0.163 4.735 4.556 0.027 0.000 0.359 614 H C -1.188 174.041 175.328 -0.166 0.000 1.253 614 H CA -1.483 54.373 56.048 -0.320 0.000 1.373 614 H CB 0.083 29.603 29.762 -0.403 0.000 1.555 614 H HN 0.350 nan 8.280 nan 0.000 0.586 615 P HA -0.137 nan 4.420 nan 0.000 0.220 615 P C 0.899 178.195 177.300 -0.006 0.000 1.148 615 P CA 1.416 64.509 63.100 -0.012 0.000 0.803 615 P CB 0.040 31.733 31.700 -0.012 0.000 0.782 616 A N -0.471 122.340 122.820 -0.016 0.000 2.070 616 A HA -0.161 4.175 4.320 0.027 0.000 0.220 616 A C 2.049 179.585 177.584 -0.080 0.000 1.159 616 A CA 1.075 53.069 52.037 -0.072 0.000 0.656 616 A CB -1.545 17.378 19.000 -0.129 0.000 0.800 616 A HN 0.158 nan 8.150 nan 0.000 0.453 617 L N -0.512 120.691 121.223 -0.033 0.000 2.079 617 L HA -0.131 4.225 4.340 0.027 0.000 0.210 617 L C 2.526 179.442 176.870 0.077 0.000 1.081 617 L CA 2.717 57.575 54.840 0.031 0.000 0.752 617 L CB -0.994 41.082 42.059 0.028 0.000 0.896 617 L HN 0.384 nan 8.230 nan 0.000 0.433 618 T N -1.586 113.017 114.554 0.081 0.000 2.788 618 T HA -0.218 4.148 4.350 0.027 0.000 0.268 618 T C 1.815 176.624 174.700 0.181 0.000 1.044 618 T CA 1.508 63.709 62.100 0.168 0.000 1.139 618 T CB -0.149 68.800 68.868 0.136 0.000 0.867 618 T HN 0.475 nan 8.240 nan 0.000 0.454 619 E N 0.924 121.169 120.200 0.075 0.000 2.058 619 E HA -0.020 4.346 4.350 0.027 0.000 0.194 619 E C 2.232 178.828 176.600 -0.007 0.000 0.997 619 E CA 1.610 58.049 56.400 0.066 0.000 0.801 619 E CB -0.754 28.941 29.700 -0.008 0.000 0.746 619 E HN 0.544 nan 8.360 nan 0.000 0.450 620 A N 0.981 123.673 122.820 -0.213 0.000 1.883 620 A HA -0.262 4.074 4.320 0.027 0.000 0.217 620 A C 2.186 179.652 177.584 -0.197 0.000 1.186 620 A CA 2.091 53.951 52.037 -0.296 0.000 0.624 620 A CB -0.707 18.133 19.000 -0.266 0.000 0.822 620 A HN 0.288 nan 8.150 nan 0.000 0.444 621 K N -1.293 119.075 120.400 -0.055 0.000 2.044 621 K HA -0.304 4.032 4.320 0.027 0.000 0.210 621 K C 2.075 178.582 176.600 -0.154 0.000 1.049 621 K CA 2.118 58.389 56.287 -0.026 0.000 0.927 621 K CB -0.357 32.281 32.500 0.231 0.000 0.713 621 K HN 0.651 nan 8.250 nan 0.000 0.443 622 H N 0.412 119.307 119.070 -0.292 0.000 2.326 622 H HA -0.021 4.551 4.556 0.028 0.000 0.301 622 H C 1.989 177.044 175.328 -0.454 0.000 1.081 622 H CA 1.759 57.439 56.048 -0.612 0.000 1.334 622 H CB 0.053 29.496 29.762 -0.531 0.000 1.385 622 H HN 0.244 nan 8.280 nan 0.000 0.504 623 Q N 0.260 119.798 119.800 -0.438 0.000 2.226 623 Q HA -0.110 4.246 4.340 0.027 0.000 0.204 623 Q C 1.686 177.147 176.000 -0.898 0.000 0.975 623 Q CA 1.259 56.734 55.803 -0.547 0.000 0.866 623 Q CB -0.020 28.565 28.738 -0.254 0.000 0.915 623 Q HN 0.702 nan 8.270 nan 0.000 0.440 624 Q N 0.138 119.374 119.800 -0.941 0.000 2.365 624 Q HA 0.059 4.416 4.340 0.027 0.000 0.203 624 Q C -0.043 175.419 176.000 -0.897 0.000 0.929 624 Q CA -0.211 54.903 55.803 -1.149 0.000 0.948 624 Q CB 0.319 28.419 28.738 -1.064 0.000 1.043 624 Q HN 0.382 nan 8.270 nan 0.000 0.505 625 Q N -0.464 118.962 119.800 -0.624 0.000 2.414 625 Q HA -0.067 4.289 4.340 0.027 0.000 0.288 625 Q C -0.181 175.475 176.000 -0.573 0.000 1.086 625 Q CA 0.446 56.017 55.803 -0.388 0.000 0.943 625 Q CB 0.422 29.019 28.738 -0.234 0.000 1.282 625 Q HN 0.293 nan 8.270 nan 0.000 0.438 626 F N 0.264 119.990 119.950 -0.373 0.000 2.695 626 F HA 0.242 4.785 4.527 0.027 0.000 0.303 626 F C -0.239 174.990 175.800 -0.952 0.000 1.091 626 F CA -0.058 57.474 58.000 -0.779 0.000 1.300 626 F CB 0.519 38.697 39.000 -1.369 0.000 1.071 626 F HN 0.284 nan 8.300 nan 0.000 0.578 627 F N 0.490 120.352 119.950 -0.147 0.000 2.529 627 F HA 0.494 5.038 4.527 0.028 0.000 0.320 627 F C -0.065 175.382 175.800 -0.588 0.000 1.118 627 F CA -1.075 56.736 58.000 -0.315 0.000 0.915 627 F CB 1.317 40.156 39.000 -0.268 0.000 1.161 627 F HN -0.306 nan 8.300 nan 0.000 0.445 628 Q N 3.094 122.637 119.800 -0.428 0.000 2.306 628 Q HA 0.591 4.947 4.340 0.027 0.000 0.265 628 Q C -1.354 174.368 176.000 -0.462 0.000 1.022 628 Q CA -0.654 54.936 55.803 -0.355 0.000 0.853 628 Q CB 2.875 31.530 28.738 -0.138 0.000 1.327 628 Q HN 0.558 nan 8.270 nan 0.000 0.449 629 F N 0.370 120.451 119.950 0.218 0.000 2.565 629 F HA 0.587 5.131 4.527 0.028 0.000 0.313 629 F C 0.309 176.351 175.800 0.403 0.000 1.091 629 F CA -0.860 57.344 58.000 0.340 0.000 0.915 629 F CB 2.002 41.340 39.000 0.563 0.000 1.208 629 F HN 0.147 nan 8.300 nan 0.000 0.453 630 R N 1.807 122.601 120.500 0.490 0.000 2.771 630 R HA 0.762 5.119 4.340 0.027 0.000 0.274 630 R C -2.026 174.326 176.300 0.088 0.000 0.987 630 R CA -1.304 55.009 56.100 0.356 0.000 0.908 630 R CB 3.019 33.436 30.300 0.194 0.000 1.213 630 R HN 0.574 nan 8.270 nan 0.000 0.468 631 L N 0.355 121.524 121.223 -0.090 0.000 2.385 631 L HA 0.506 4.862 4.340 0.027 0.000 0.273 631 L C -1.034 175.703 176.870 -0.221 0.000 0.990 631 L CA -0.023 54.560 54.840 -0.427 0.000 0.821 631 L CB 2.205 43.568 42.059 -1.160 0.000 1.279 631 L HN 0.600 nan 8.230 nan 0.000 0.412 632 S N 3.725 119.315 115.700 -0.183 0.000 2.774 632 S HA 0.740 5.226 4.470 0.027 0.000 0.297 632 S C 0.218 174.738 174.600 -0.133 0.000 1.143 632 S CA 0.309 58.439 58.200 -0.117 0.000 1.090 632 S CB 0.332 63.492 63.200 -0.067 0.000 1.019 632 S HN 1.514 nan 8.310 nan 0.000 0.482 633 G N 4.552 113.274 108.800 -0.130 0.000 2.523 633 G HA2 -0.283 3.693 3.960 0.027 0.000 0.271 633 G HA3 -0.283 3.693 3.960 0.027 0.000 0.271 633 G C -0.011 174.784 174.900 -0.175 0.000 1.146 633 G CA 0.678 45.702 45.100 -0.126 0.000 0.961 633 G HN 1.091 nan 8.290 nan 0.000 0.549 634 Q N 0.476 120.171 119.800 -0.175 0.000 2.175 634 Q HA 0.469 4.825 4.340 0.027 0.000 0.225 634 Q C 0.317 176.176 176.000 -0.235 0.000 0.837 634 Q CA 0.655 56.324 55.803 -0.224 0.000 1.032 634 Q CB -0.483 28.132 28.738 -0.205 0.000 1.137 634 Q HN 0.596 nan 8.270 nan 0.000 0.483 635 T N 1.346 115.778 114.554 -0.204 0.000 2.756 635 T HA 0.612 4.979 4.350 0.027 0.000 0.290 635 T C -0.181 174.404 174.700 -0.191 0.000 0.985 635 T CA -0.402 61.597 62.100 -0.167 0.000 0.955 635 T CB 0.636 69.439 68.868 -0.110 0.000 0.930 635 T HN 0.208 nan 8.240 nan 0.000 0.451 636 I N 2.951 123.417 120.570 -0.175 0.000 2.315 636 I HA 0.265 4.451 4.170 0.027 0.000 0.291 636 I C 0.644 176.770 176.117 0.015 0.000 1.006 636 I CA -0.398 60.825 61.300 -0.129 0.000 1.265 636 I CB 0.986 38.929 38.000 -0.096 0.000 1.387 636 I HN 0.573 nan 8.210 nan 0.000 0.475 637 E N 6.567 126.808 120.200 0.068 0.000 2.134 637 E HA 0.456 4.822 4.350 0.027 0.000 0.278 637 E C -1.505 175.206 176.600 0.184 0.000 0.959 637 E CA -0.627 55.834 56.400 0.101 0.000 0.783 637 E CB 1.443 31.186 29.700 0.073 0.000 1.095 637 E HN 0.367 nan 8.360 nan 0.000 0.399 638 V N 4.244 124.250 119.914 0.153 0.000 2.384 638 V HA 0.312 4.449 4.120 0.027 0.000 0.287 638 V C -0.050 176.086 176.094 0.070 0.000 1.020 638 V CA -0.624 61.743 62.300 0.111 0.000 0.850 638 V CB 1.601 33.524 31.823 0.167 0.000 0.987 638 V HN 0.698 nan 8.190 nan 0.000 0.436 639 T N 3.310 117.868 114.554 0.006 0.000 2.823 639 T HA 0.385 4.751 4.350 0.027 0.000 0.279 639 T C -0.014 174.703 174.700 0.027 0.000 0.998 639 T CA -0.261 61.848 62.100 0.016 0.000 0.994 639 T CB 1.623 70.475 68.868 -0.026 0.000 0.960 639 T HN 0.692 nan 8.240 nan 0.000 0.448 640 S N 1.628 117.351 115.700 0.037 0.000 2.525 640 S HA 0.242 4.728 4.470 0.027 0.000 0.278 640 S C 0.729 175.212 174.600 -0.196 0.000 1.234 640 S CA -0.581 57.573 58.200 -0.077 0.000 1.058 640 S CB 0.674 63.901 63.200 0.045 0.000 0.983 640 S HN 0.724 nan 8.310 nan 0.000 0.495 641 E N 2.727 122.702 120.200 -0.374 0.000 2.476 641 E HA 0.100 4.466 4.350 0.027 0.000 0.196 641 E C -0.720 175.690 176.600 -0.316 0.000 1.029 641 E CA -0.111 56.097 56.400 -0.319 0.000 0.896 641 E CB 0.271 29.764 29.700 -0.346 0.000 1.012 641 E HN 0.689 nan 8.360 nan 0.000 0.475 642 Y N 0.405 120.579 120.300 -0.211 0.000 2.397 642 Y HA -0.014 4.552 4.550 0.027 0.000 0.335 642 Y C 1.440 177.168 175.900 -0.287 0.000 1.213 642 Y CA 0.069 58.046 58.100 -0.205 0.000 1.391 642 Y CB 0.763 39.090 38.460 -0.221 0.000 1.293 642 Y HN -0.034 nan 8.280 nan 0.000 0.557 643 L N 0.998 122.053 121.223 -0.281 0.000 2.408 643 L HA 0.060 4.417 4.340 0.027 0.000 0.215 643 L C 0.715 177.123 176.870 -0.770 0.000 1.081 643 L CA 0.609 55.020 54.840 -0.715 0.000 0.840 643 L CB 0.046 41.295 42.059 -1.350 0.000 1.002 643 L HN 0.654 nan 8.230 nan 0.000 0.468 644 F N -0.444 119.518 119.950 0.020 0.000 2.640 644 F HA 0.201 4.744 4.527 0.025 0.000 0.285 644 F C 1.295 177.080 175.800 -0.026 0.000 1.031 644 F CA -0.770 57.218 58.000 -0.021 0.000 1.240 644 F CB 0.330 39.301 39.000 -0.048 0.000 1.011 644 F HN -0.142 nan 8.300 nan 0.000 0.656 645 R N 0.517 121.068 120.500 0.084 0.000 2.536 645 R HA 0.365 4.721 4.340 0.027 0.000 0.279 645 R C -0.563 175.727 176.300 -0.017 0.000 1.001 645 R CA -0.566 55.533 56.100 -0.002 0.000 1.027 645 R CB 0.671 30.865 30.300 -0.177 0.000 1.096 645 R HN 0.115 nan 8.270 nan 0.000 0.502 646 H N 0.479 119.544 119.070 -0.009 0.000 2.546 646 H HA 0.049 4.621 4.556 0.027 0.000 0.365 646 H C 0.160 175.513 175.328 0.043 0.000 1.220 646 H CA 0.199 56.272 56.048 0.042 0.000 1.386 646 H CB 1.622 31.412 29.762 0.046 0.000 1.510 646 H HN 0.771 nan 8.280 nan 0.000 0.591 647 S N 1.058 116.903 115.700 0.243 0.000 4.120 647 S HA -0.053 4.434 4.470 0.027 0.000 0.215 647 S C 0.327 175.028 174.600 0.169 0.000 1.347 647 S CA -0.645 57.706 58.200 0.252 0.000 0.889 647 S CB -0.742 62.657 63.200 0.332 0.000 1.585 647 S HN 0.579 nan 8.310 nan 0.000 0.447 648 D N 0.801 121.274 120.400 0.121 0.000 2.336 648 D HA 0.065 4.721 4.640 0.027 0.000 0.228 648 D C 0.283 176.620 176.300 0.061 0.000 1.120 648 D CA -0.298 53.753 54.000 0.084 0.000 0.839 648 D CB -0.355 40.482 40.800 0.062 0.000 0.932 648 D HN 0.509 nan 8.370 nan 0.000 0.509 649 N N 0.077 118.821 118.700 0.074 0.000 2.620 649 N HA 0.152 4.908 4.740 0.027 0.000 0.277 649 N C -1.570 173.989 175.510 0.082 0.000 1.726 649 N CA -0.183 52.904 53.050 0.061 0.000 0.840 649 N CB 0.340 38.853 38.487 0.043 0.000 1.379 649 N HN -0.066 nan 8.380 nan 0.000 0.506 650 E N -0.222 120.021 120.200 0.072 0.000 2.352 650 E HA 0.526 4.893 4.350 0.027 0.000 0.280 650 E C -1.552 175.068 176.600 0.034 0.000 0.930 650 E CA -0.717 55.712 56.400 0.048 0.000 0.765 650 E CB 1.833 31.538 29.700 0.008 0.000 1.219 650 E HN 0.243 nan 8.360 nan 0.000 0.434 651 L N -0.318 120.922 121.223 0.029 0.000 2.376 651 L HA 0.742 5.098 4.340 0.027 0.000 0.258 651 L C -1.426 175.496 176.870 0.087 0.000 1.013 651 L CA -1.074 53.812 54.840 0.076 0.000 0.822 651 L CB 0.897 43.035 42.059 0.131 0.000 1.388 651 L HN 0.509 nan 8.230 nan 0.000 0.413 652 L N 2.000 123.322 121.223 0.164 0.000 2.265 652 L HA 0.603 4.959 4.340 0.027 0.000 0.289 652 L C -0.930 176.163 176.870 0.372 0.000 1.033 652 L CA 0.167 55.142 54.840 0.225 0.000 0.814 652 L CB 0.276 42.476 42.059 0.234 0.000 1.203 652 L HN 0.581 nan 8.230 nan 0.000 0.423 653 H N 5.297 124.451 119.070 0.140 0.000 2.467 653 H HA 0.486 5.059 4.556 0.027 0.000 0.326 653 H C -0.992 174.435 175.328 0.165 0.000 1.094 653 H CA -0.647 55.446 56.048 0.076 0.000 1.253 653 H CB 0.709 30.469 29.762 -0.003 0.000 1.439 653 H HN 0.620 nan 8.280 nan 0.000 0.479 654 W N 3.756 125.142 121.300 0.143 0.000 2.844 654 W HA 0.603 5.279 4.660 0.027 0.000 0.340 654 W C -1.621 174.940 176.519 0.071 0.000 1.093 654 W CA -1.341 56.068 57.345 0.105 0.000 1.212 654 W CB 1.419 30.927 29.460 0.079 0.000 1.422 654 W HN 0.532 nan 8.180 nan 0.000 0.515 655 M N 3.565 123.345 119.600 0.301 0.000 2.371 655 M HA 0.602 5.099 4.480 0.027 0.000 0.287 655 M C -2.524 173.965 176.300 0.314 0.000 1.149 655 M CA -0.642 54.734 55.300 0.126 0.000 0.929 655 M CB 1.976 34.574 32.600 -0.004 0.000 1.683 655 M HN 0.197 nan 8.290 nan 0.000 0.470 656 V N 3.986 124.079 119.914 0.299 0.000 2.495 656 V HA 1.018 5.154 4.120 0.027 0.000 0.298 656 V C -0.411 175.791 176.094 0.180 0.000 1.031 656 V CA -0.207 62.266 62.300 0.288 0.000 0.871 656 V CB 1.232 33.250 31.823 0.324 0.000 0.988 656 V HN 1.089 nan 8.190 nan 0.000 0.432 657 A N 4.430 127.364 122.820 0.189 0.000 2.475 657 A HA 0.896 5.232 4.320 0.027 0.000 0.301 657 A C -1.459 176.234 177.584 0.180 0.000 1.059 657 A CA -0.625 51.487 52.037 0.125 0.000 0.710 657 A CB 1.760 20.788 19.000 0.047 0.000 1.288 657 A HN 0.892 nan 8.150 nan 0.000 0.408 658 L N 1.343 122.644 121.223 0.129 0.000 2.280 658 L HA 0.552 4.908 4.340 0.027 0.000 0.287 658 L C -0.587 176.374 176.870 0.151 0.000 1.023 658 L CA 0.209 55.141 54.840 0.154 0.000 0.819 658 L CB 0.436 42.555 42.059 0.101 0.000 1.212 658 L HN 0.750 nan 8.230 nan 0.000 0.420 659 D N 4.696 125.250 120.400 0.257 0.000 2.692 659 D HA -0.215 4.441 4.640 0.027 0.000 0.233 659 D C 1.189 177.518 176.300 0.049 0.000 1.172 659 D CA 1.488 55.626 54.000 0.231 0.000 0.636 659 D CB -1.143 39.769 40.800 0.185 0.000 1.028 659 D HN 1.215 nan 8.370 nan 0.000 0.419 660 G N -0.731 108.052 108.800 -0.029 0.000 2.234 660 G HA2 -0.388 3.588 3.960 0.027 0.000 0.260 660 G HA3 -0.388 3.588 3.960 0.027 0.000 0.260 660 G C 0.310 175.119 174.900 -0.153 0.000 0.987 660 G CA 0.557 45.528 45.100 -0.214 0.000 0.625 660 G HN 0.495 nan 8.290 nan 0.000 0.532 661 K N 2.045 122.409 120.400 -0.060 0.000 2.284 661 K HA 0.426 4.762 4.320 0.027 0.000 0.287 661 K C -2.573 174.013 176.600 -0.024 0.000 1.081 661 K CA -1.695 54.566 56.287 -0.044 0.000 0.910 661 K CB 1.317 33.812 32.500 -0.008 0.000 1.088 661 K HN 0.097 nan 8.250 nan 0.000 0.478 662 P HA -0.016 nan 4.420 nan 0.000 0.271 662 P C 0.070 177.362 177.300 -0.013 0.000 1.233 662 P CA -0.095 62.983 63.100 -0.038 0.000 0.764 662 P CB 0.713 32.369 31.700 -0.074 0.000 0.825 663 L N 2.131 123.366 121.223 0.020 0.000 2.388 663 L HA 0.453 4.810 4.340 0.027 0.000 0.209 663 L C 0.772 177.665 176.870 0.040 0.000 1.061 663 L CA 0.835 55.699 54.840 0.040 0.000 0.834 663 L CB -0.010 42.096 42.059 0.079 0.000 1.029 663 L HN 0.426 nan 8.230 nan 0.000 0.473 664 A N -1.115 121.728 122.820 0.038 0.000 2.567 664 A HA 0.569 4.905 4.320 0.027 0.000 0.291 664 A C -1.001 176.452 177.584 -0.218 0.000 1.048 664 A CA 0.235 52.269 52.037 -0.006 0.000 0.661 664 A CB 1.203 20.317 19.000 0.191 0.000 1.288 664 A HN 0.151 nan 8.150 nan 0.000 0.424 665 S N -0.983 114.323 115.700 -0.656 0.000 2.595 665 S HA 0.915 5.401 4.470 0.027 0.000 0.270 665 S C -0.267 173.295 174.600 -1.730 0.000 1.145 665 S CA 0.050 57.380 58.200 -1.450 0.000 0.825 665 S CB 0.880 63.650 63.200 -0.716 0.000 1.107 665 S HN 2.611 nan 8.310 nan 0.000 0.461 666 G N -0.334 107.024 108.800 -2.404 0.000 2.682 666 G HA2 0.700 4.676 3.960 0.027 0.000 0.303 666 G HA3 0.700 4.676 3.960 0.027 0.000 0.303 666 G C -2.081 172.405 174.900 -0.691 0.000 1.341 666 G CA -0.679 43.727 45.100 -1.156 0.000 0.784 666 G HN 0.814 nan 8.290 nan 0.000 0.497 667 E N -1.276 118.864 120.200 -0.100 0.000 2.321 667 E HA 0.581 4.948 4.350 0.027 0.000 0.278 667 E C -1.589 175.135 176.600 0.206 0.000 0.902 667 E CA -0.582 55.847 56.400 0.048 0.000 0.758 667 E CB 3.138 32.773 29.700 -0.108 0.000 1.213 667 E HN 0.312 nan 8.360 nan 0.000 0.426 668 V N 3.657 123.718 119.914 0.244 0.000 2.808 668 V HA 0.407 4.543 4.120 0.027 0.000 0.308 668 V C -2.503 173.684 176.094 0.154 0.000 1.099 668 V CA -1.953 60.460 62.300 0.188 0.000 0.920 668 V CB 2.109 34.054 31.823 0.202 0.000 1.014 668 V HN 0.584 nan 8.190 nan 0.000 0.425 669 P HA 0.315 nan 4.420 nan 0.000 0.271 669 P C -0.861 176.494 177.300 0.092 0.000 1.216 669 P CA -0.041 63.118 63.100 0.097 0.000 0.771 669 P CB 0.538 32.286 31.700 0.080 0.000 0.864 670 L N 3.272 124.541 121.223 0.077 0.000 2.275 670 L HA 0.371 4.727 4.340 0.027 0.000 0.288 670 L C 0.381 177.309 176.870 0.097 0.000 1.046 670 L CA -0.054 54.827 54.840 0.068 0.000 0.805 670 L CB 0.920 42.976 42.059 -0.006 0.000 1.193 670 L HN 0.291 nan 8.230 nan 0.000 0.426 671 D N 3.396 123.867 120.400 0.117 0.000 2.400 671 D HA 0.360 5.016 4.640 0.027 0.000 0.272 671 D C -1.231 175.181 176.300 0.186 0.000 1.220 671 D CA -0.168 53.925 54.000 0.155 0.000 0.897 671 D CB 1.109 41.985 40.800 0.127 0.000 1.134 671 D HN 0.064 nan 8.370 nan 0.000 0.507 672 V N 1.637 121.676 119.914 0.207 0.000 2.487 672 V HA 0.837 4.973 4.120 0.027 0.000 0.298 672 V C 0.829 176.903 176.094 -0.034 0.000 1.028 672 V CA -1.220 61.167 62.300 0.146 0.000 0.860 672 V CB 1.176 33.126 31.823 0.211 0.000 0.991 672 V HN 0.548 nan 8.190 nan 0.000 0.427 673 A N 6.783 129.477 122.820 -0.210 0.000 2.313 673 A HA 0.722 5.058 4.320 0.027 0.000 0.261 673 A C -2.297 175.087 177.584 -0.333 0.000 1.090 673 A CA -1.491 50.079 52.037 -0.777 0.000 0.807 673 A CB -0.133 18.595 19.000 -0.453 0.000 1.055 673 A HN 0.680 nan 8.150 nan 0.000 0.492 674 P HA 0.049 nan 4.420 nan 0.000 0.263 674 P C -0.518 176.713 177.300 -0.115 0.000 1.195 674 P CA 0.616 63.638 63.100 -0.131 0.000 0.762 674 P CB 0.801 32.429 31.700 -0.120 0.000 0.799 675 Q N -0.870 118.874 119.800 -0.093 0.000 2.342 675 Q HA -0.145 4.211 4.340 0.027 0.000 0.196 675 Q C 0.777 176.746 176.000 -0.052 0.000 0.629 675 Q CA 1.863 57.616 55.803 -0.083 0.000 1.365 675 Q CB -2.530 26.156 28.738 -0.086 0.000 1.406 675 Q HN 0.737 nan 8.270 nan 0.000 0.840 676 G N 0.337 109.112 108.800 -0.042 0.000 2.543 676 G HA2 0.542 4.518 3.960 0.027 0.000 0.290 676 G HA3 0.542 4.518 3.960 0.027 0.000 0.290 676 G C -0.200 174.712 174.900 0.020 0.000 1.310 676 G CA -0.505 44.588 45.100 -0.011 0.000 1.025 676 G HN -0.014 nan 8.290 nan 0.000 0.502 677 K N -0.746 119.674 120.400 0.033 0.000 2.340 677 K HA 0.499 4.835 4.320 0.027 0.000 0.244 677 K C -0.876 175.762 176.600 0.064 0.000 0.973 677 K CA -0.620 55.696 56.287 0.049 0.000 0.828 677 K CB 2.458 34.980 32.500 0.037 0.000 1.226 677 K HN 0.530 nan 8.250 nan 0.000 0.437 678 Q N 2.065 121.910 119.800 0.076 0.000 2.331 678 Q HA 0.408 4.764 4.340 0.027 0.000 0.272 678 Q C -1.716 174.324 176.000 0.067 0.000 1.062 678 Q CA -0.656 55.193 55.803 0.076 0.000 0.806 678 Q CB 1.563 30.358 28.738 0.094 0.000 1.312 678 Q HN 0.511 nan 8.270 nan 0.000 0.431 679 L N 4.835 126.087 121.223 0.048 0.000 2.296 679 L HA 0.574 4.930 4.340 0.027 0.000 0.286 679 L C -0.657 176.223 176.870 0.018 0.000 1.023 679 L CA -0.693 54.164 54.840 0.028 0.000 0.812 679 L CB 1.385 43.451 42.059 0.012 0.000 1.223 679 L HN 0.605 nan 8.230 nan 0.000 0.421 680 I N 2.943 123.513 120.570 -0.000 0.000 2.436 680 I HA 0.272 4.458 4.170 0.027 0.000 0.289 680 I C -0.148 175.918 176.117 -0.086 0.000 1.010 680 I CA -0.346 60.941 61.300 -0.021 0.000 1.098 680 I CB 2.169 40.167 38.000 -0.004 0.000 1.266 680 I HN 0.557 nan 8.210 nan 0.000 0.434 681 E N 6.600 126.747 120.200 -0.087 0.000 2.156 681 E HA 0.472 4.838 4.350 0.027 0.000 0.279 681 E C -1.001 175.477 176.600 -0.204 0.000 0.965 681 E CA -0.692 55.630 56.400 -0.130 0.000 0.789 681 E CB 1.591 31.240 29.700 -0.086 0.000 1.098 681 E HN 0.454 nan 8.360 nan 0.000 0.397 682 L N 4.791 125.833 121.223 -0.303 0.000 2.439 682 L HA 0.334 4.690 4.340 0.027 0.000 0.261 682 L C -1.942 174.764 176.870 -0.272 0.000 1.153 682 L CA -1.960 52.608 54.840 -0.453 0.000 0.808 682 L CB 0.051 41.700 42.059 -0.683 0.000 1.126 682 L HN 0.330 nan 8.230 nan 0.000 0.460 683 P HA -0.030 nan 4.420 nan 0.000 0.270 683 P C -0.662 176.587 177.300 -0.086 0.000 1.223 683 P CA -0.373 62.675 63.100 -0.088 0.000 0.785 683 P CB 0.335 32.053 31.700 0.030 0.000 0.923 684 E N 1.937 122.115 120.200 -0.036 0.000 2.480 684 E HA -0.005 4.362 4.350 0.027 0.000 0.258 684 E C -1.067 175.528 176.600 -0.008 0.000 0.984 684 E CA 0.062 56.444 56.400 -0.029 0.000 0.930 684 E CB -0.065 29.628 29.700 -0.011 0.000 0.936 684 E HN 0.326 nan 8.360 nan 0.000 0.466 685 L N 7.555 128.767 121.223 -0.019 0.000 2.262 685 L HA 0.358 4.715 4.340 0.027 0.000 0.288 685 L C -1.823 175.055 176.870 0.014 0.000 1.035 685 L CA -2.081 52.766 54.840 0.012 0.000 0.820 685 L CB 1.235 43.300 42.059 0.009 0.000 1.204 685 L HN 0.561 nan 8.230 nan 0.000 0.424 686 P HA 0.026 nan 4.420 nan 0.000 0.270 686 P C -0.914 176.401 177.300 0.025 0.000 1.227 686 P CA -0.484 62.631 63.100 0.025 0.000 0.788 686 P CB 0.568 32.288 31.700 0.033 0.000 0.926 687 Q N 1.615 121.427 119.800 0.019 0.000 2.307 687 Q HA 0.268 4.625 4.340 0.027 0.000 0.259 687 Q C -1.800 174.214 176.000 0.024 0.000 0.998 687 Q CA -1.336 54.478 55.803 0.019 0.000 0.923 687 Q CB -0.449 28.296 28.738 0.013 0.000 1.196 687 Q HN 0.337 nan 8.270 nan 0.000 0.416 688 P HA -0.114 nan 4.420 nan 0.000 0.266 688 P C -0.080 177.237 177.300 0.028 0.000 1.186 688 P CA 0.221 63.341 63.100 0.034 0.000 0.767 688 P CB 0.836 32.560 31.700 0.040 0.000 0.820 689 E N 0.155 120.372 120.200 0.028 0.000 2.130 689 E HA -0.136 4.230 4.350 0.027 0.000 0.196 689 E C 0.766 177.381 176.600 0.025 0.000 0.998 689 E CA 1.572 57.986 56.400 0.024 0.000 0.806 689 E CB 0.098 29.811 29.700 0.021 0.000 0.738 689 E HN 0.721 nan 8.360 nan 0.000 0.459 690 S N -1.533 114.185 115.700 0.030 0.000 2.800 690 S HA 0.617 5.103 4.470 0.027 0.000 0.293 690 S C -0.647 173.975 174.600 0.037 0.000 1.209 690 S CA -0.637 57.582 58.200 0.031 0.000 0.884 690 S CB 1.132 64.352 63.200 0.033 0.000 1.244 690 S HN 0.130 nan 8.310 nan 0.000 0.540 691 A N -0.203 122.640 122.820 0.039 0.000 2.466 691 A HA 0.701 5.037 4.320 0.027 0.000 0.238 691 A C 0.974 178.593 177.584 0.057 0.000 1.074 691 A CA 0.613 52.676 52.037 0.043 0.000 0.774 691 A CB -0.927 18.099 19.000 0.043 0.000 1.015 691 A HN 2.490 nan 8.150 nan 0.000 0.498 692 G N -0.455 108.380 108.800 0.058 0.000 2.359 692 G HA2 0.425 4.401 3.960 0.027 0.000 0.303 692 G HA3 0.425 4.401 3.960 0.027 0.000 0.303 692 G C -1.137 173.803 174.900 0.067 0.000 1.293 692 G CA -0.182 44.967 45.100 0.081 0.000 0.964 692 G HN 1.135 nan 8.290 nan 0.000 0.531 693 Q N -0.110 119.752 119.800 0.103 0.000 2.314 693 Q HA 0.723 5.079 4.340 0.027 0.000 0.259 693 Q C -0.244 175.830 176.000 0.123 0.000 0.951 693 Q CA -0.500 55.325 55.803 0.037 0.000 0.909 693 Q CB 1.164 29.895 28.738 -0.011 0.000 1.236 693 Q HN 0.564 nan 8.270 nan 0.000 0.444 694 L N 4.157 125.388 121.223 0.014 0.000 2.326 694 L HA 0.473 4.829 4.340 0.027 0.000 0.278 694 L C -0.734 176.163 176.870 0.045 0.000 1.092 694 L CA -0.386 54.511 54.840 0.095 0.000 0.810 694 L CB 0.744 42.837 42.059 0.055 0.000 1.153 694 L HN 0.659 nan 8.230 nan 0.000 0.439 695 W N 3.976 125.344 121.300 0.114 0.000 2.785 695 W HA 0.504 5.180 4.660 0.027 0.000 0.333 695 W C -0.873 175.756 176.519 0.184 0.000 1.062 695 W CA -0.551 56.885 57.345 0.151 0.000 1.233 695 W CB 1.750 31.324 29.460 0.188 0.000 1.413 695 W HN 0.112 nan 8.180 nan 0.000 0.489 696 L N 3.291 124.804 121.223 0.484 0.000 2.296 696 L HA 0.758 5.115 4.340 0.027 0.000 0.286 696 L C -0.378 176.802 176.870 0.517 0.000 1.023 696 L CA 0.078 55.187 54.840 0.447 0.000 0.812 696 L CB 1.298 43.583 42.059 0.376 0.000 1.223 696 L HN 0.327 nan 8.230 nan 0.000 0.421 697 T N 5.245 120.045 114.554 0.410 0.000 2.841 697 T HA 0.667 5.033 4.350 0.027 0.000 0.285 697 T C -0.673 174.220 174.700 0.321 0.000 0.991 697 T CA -0.449 61.849 62.100 0.330 0.000 0.966 697 T CB 1.439 70.436 68.868 0.215 0.000 0.962 697 T HN 0.607 nan 8.240 nan 0.000 0.438 698 V N 1.638 121.717 119.914 0.276 0.000 2.864 698 V HA 0.869 5.005 4.120 0.027 0.000 0.314 698 V C -0.705 175.477 176.094 0.147 0.000 1.073 698 V CA -1.217 61.217 62.300 0.222 0.000 0.956 698 V CB 2.076 33.996 31.823 0.162 0.000 1.023 698 V HN 0.802 nan 8.190 nan 0.000 0.435 699 R N 1.600 122.204 120.500 0.172 0.000 2.673 699 R HA 0.762 5.118 4.340 0.027 0.000 0.281 699 R C -1.633 174.757 176.300 0.150 0.000 0.991 699 R CA -0.668 55.542 56.100 0.184 0.000 0.896 699 R CB 2.665 33.031 30.300 0.109 0.000 1.201 699 R HN 0.729 nan 8.270 nan 0.000 0.457 700 V N 3.743 123.778 119.914 0.203 0.000 2.383 700 V HA 0.353 4.489 4.120 0.027 0.000 0.275 700 V C -0.273 175.852 176.094 0.052 0.000 1.036 700 V CA -0.549 61.822 62.300 0.117 0.000 0.889 700 V CB 1.520 33.414 31.823 0.119 0.000 0.985 700 V HN 0.423 nan 8.190 nan 0.000 0.459 701 V N 5.283 125.162 119.914 -0.058 0.000 2.555 701 V HA 0.394 4.530 4.120 0.027 0.000 0.302 701 V C -0.167 175.918 176.094 -0.015 0.000 1.038 701 V CA -0.764 61.474 62.300 -0.104 0.000 0.887 701 V CB 1.893 33.502 31.823 -0.357 0.000 0.991 701 V HN 0.889 nan 8.190 nan 0.000 0.434 702 Q N 5.787 125.615 119.800 0.046 0.000 2.360 702 Q HA 0.265 4.621 4.340 0.027 0.000 0.254 702 Q C -1.729 174.282 176.000 0.018 0.000 0.975 702 Q CA -1.773 54.068 55.803 0.063 0.000 0.912 702 Q CB 1.804 30.609 28.738 0.111 0.000 1.212 702 Q HN 0.483 nan 8.270 nan 0.000 0.452 703 P HA -0.144 nan 4.420 nan 0.000 0.221 703 P C -0.512 176.786 177.300 -0.004 0.000 1.150 703 P CA 1.015 64.121 63.100 0.010 0.000 0.800 703 P CB 0.401 32.117 31.700 0.027 0.000 0.787 704 N N -0.464 118.226 118.700 -0.016 0.000 2.443 704 N HA 0.450 5.206 4.740 0.027 0.000 0.295 704 N C -0.302 175.157 175.510 -0.086 0.000 1.076 704 N CA -0.685 52.342 53.050 -0.039 0.000 0.919 704 N CB 1.125 39.593 38.487 -0.031 0.000 1.176 704 N HN -0.060 nan 8.380 nan 0.000 0.487 705 A N 0.864 123.628 122.820 -0.095 0.000 2.406 705 A HA 0.425 4.761 4.320 0.027 0.000 0.243 705 A C 0.596 178.057 177.584 -0.205 0.000 1.082 705 A CA -0.013 51.931 52.037 -0.155 0.000 0.786 705 A CB 0.011 18.945 19.000 -0.110 0.000 1.029 705 A HN 0.698 nan 8.150 nan 0.000 0.495 706 T N -2.870 111.474 114.554 -0.349 0.000 2.773 706 T HA 0.631 4.997 4.350 0.027 0.000 0.278 706 T C 0.992 175.531 174.700 -0.268 0.000 1.011 706 T CA 0.028 61.903 62.100 -0.374 0.000 1.014 706 T CB 1.153 69.548 68.868 -0.789 0.000 1.293 706 T HN 1.342 nan 8.240 nan 0.000 0.554 707 A N -0.062 122.696 122.820 -0.104 0.000 2.067 707 A HA 0.097 4.433 4.320 0.027 0.000 0.219 707 A C 1.692 179.403 177.584 0.211 0.000 1.158 707 A CA 1.091 53.174 52.037 0.076 0.000 0.661 707 A CB -0.880 18.212 19.000 0.154 0.000 0.801 707 A HN 0.919 nan 8.150 nan 0.000 0.452 708 W N -0.572 120.792 121.300 0.107 0.000 3.008 708 W HA 0.411 5.088 4.660 0.029 0.000 0.355 708 W C -0.141 176.341 176.519 -0.061 0.000 1.095 708 W CA 0.495 57.868 57.345 0.048 0.000 1.738 708 W CB -1.045 28.429 29.460 0.024 0.000 1.091 708 W HN 0.403 nan 8.180 nan 0.000 0.574 709 S N 0.026 115.292 115.700 -0.724 0.000 2.607 709 S HA 0.445 4.932 4.470 0.027 0.000 0.273 709 S C -0.717 173.660 174.600 -0.371 0.000 1.148 709 S CA -0.726 57.083 58.200 -0.652 0.000 0.833 709 S CB 2.829 65.219 63.200 -1.351 0.000 1.130 709 S HN -0.025 nan 8.310 nan 0.000 0.470 710 E N 0.662 120.753 120.200 -0.181 0.000 2.314 710 E HA 0.582 4.949 4.350 0.027 0.000 0.262 710 E C 0.318 176.879 176.600 -0.065 0.000 1.093 710 E CA -0.515 55.834 56.400 -0.086 0.000 0.908 710 E CB 1.494 31.189 29.700 -0.009 0.000 1.091 710 E HN 0.899 nan 8.360 nan 0.000 0.425 711 A N 0.184 122.976 122.820 -0.047 0.000 2.498 711 A HA 0.399 4.735 4.320 0.027 0.000 0.239 711 A C 1.179 178.765 177.584 0.004 0.000 1.068 711 A CA 0.922 52.942 52.037 -0.028 0.000 0.766 711 A CB -0.320 18.669 19.000 -0.019 0.000 1.003 711 A HN 0.749 nan 8.150 nan 0.000 0.497 712 G N 0.508 109.315 108.800 0.011 0.000 2.217 712 G HA2 -0.249 3.727 3.960 0.027 0.000 0.246 712 G HA3 -0.249 3.727 3.960 0.027 0.000 0.246 712 G C 0.299 175.215 174.900 0.026 0.000 0.990 712 G CA 0.678 45.783 45.100 0.008 0.000 0.627 712 G HN 1.752 nan 8.290 nan 0.000 0.522 713 H N 0.883 119.936 119.070 -0.028 0.000 3.001 713 H HA 0.433 5.005 4.556 0.027 0.000 0.334 713 H C 0.672 176.038 175.328 0.063 0.000 1.034 713 H CA 0.491 56.550 56.048 0.017 0.000 1.420 713 H CB 0.164 29.915 29.762 -0.018 0.000 1.405 713 H HN 0.310 nan 8.280 nan 0.000 0.593 714 I N 4.578 124.862 120.570 -0.477 0.000 2.315 714 I HA 0.043 4.229 4.170 0.027 0.000 0.291 714 I C 0.843 176.818 176.117 -0.237 0.000 1.006 714 I CA 0.041 61.202 61.300 -0.231 0.000 1.265 714 I CB 1.492 39.420 38.000 -0.119 0.000 1.387 714 I HN 0.789 nan 8.210 nan 0.000 0.475 715 S N 4.216 119.984 115.700 0.113 0.000 2.512 715 S HA 0.564 5.051 4.470 0.027 0.000 0.216 715 S C 0.412 175.287 174.600 0.459 0.000 1.006 715 S CA -0.062 58.351 58.200 0.356 0.000 0.915 715 S CB 0.586 64.114 63.200 0.546 0.000 0.824 715 S HN 0.696 nan 8.310 nan 0.000 0.497 716 A N 0.527 123.645 122.820 0.496 0.000 2.605 716 A HA 0.668 5.004 4.320 0.027 0.000 0.294 716 A C -1.757 176.201 177.584 0.624 0.000 1.062 716 A CA -0.874 51.458 52.037 0.493 0.000 0.682 716 A CB 0.425 19.774 19.000 0.582 0.000 1.278 716 A HN 0.934 nan 8.150 nan 0.000 0.410 717 W N 0.004 121.488 121.300 0.305 0.000 3.005 717 W HA 0.820 5.497 4.660 0.028 0.000 0.343 717 W C -1.192 175.366 176.519 0.065 0.000 1.243 717 W CA -0.614 56.791 57.345 0.099 0.000 1.186 717 W CB 1.169 30.653 29.460 0.040 0.000 1.453 717 W HN 1.068 nan 8.180 nan 0.000 0.575 718 Q N 0.921 120.753 119.800 0.053 0.000 2.647 718 Q HA 0.407 4.763 4.340 0.027 0.000 0.283 718 Q C -1.701 174.140 176.000 -0.265 0.000 0.943 718 Q CA -0.456 55.223 55.803 -0.207 0.000 0.813 718 Q CB 2.204 30.605 28.738 -0.562 0.000 1.477 718 Q HN 0.638 nan 8.270 nan 0.000 0.393 719 Q N 1.141 120.711 119.800 -0.384 0.000 2.451 719 Q HA 0.663 5.019 4.340 0.027 0.000 0.281 719 Q C -1.200 174.646 176.000 -0.257 0.000 1.099 719 Q CA -0.715 55.049 55.803 -0.065 0.000 0.806 719 Q CB 2.406 31.312 28.738 0.279 0.000 1.419 719 Q HN 0.606 nan 8.270 nan 0.000 0.427 720 W N 0.800 122.258 121.300 0.263 0.000 3.127 720 W HA 0.443 5.119 4.660 0.027 0.000 0.330 720 W C -0.426 176.037 176.519 -0.094 0.000 1.187 720 W CA -0.696 56.707 57.345 0.097 0.000 1.198 720 W CB 1.730 31.212 29.460 0.037 0.000 1.408 720 W HN 0.418 nan 8.180 nan 0.000 0.529 721 R N 1.697 122.081 120.500 -0.193 0.000 2.438 721 R HA 0.401 4.757 4.340 0.027 0.000 0.287 721 R C 0.587 176.754 176.300 -0.223 0.000 1.077 721 R CA -0.080 55.650 56.100 -0.618 0.000 1.034 721 R CB 1.034 30.919 30.300 -0.692 0.000 0.993 721 R HN 0.307 nan 8.270 nan 0.000 0.459 722 L N 1.350 122.451 121.223 -0.203 0.000 2.812 722 L HA 0.489 4.845 4.340 0.027 0.000 0.172 722 L C 0.639 177.439 176.870 -0.116 0.000 1.892 722 L CA -0.865 53.916 54.840 -0.099 0.000 2.525 722 L CB -0.069 41.973 42.059 -0.028 0.000 2.930 722 L HN 0.608 nan 8.230 nan 0.000 0.625 723 A N 0.263 123.040 122.820 -0.072 0.000 2.386 723 A HA 0.247 4.583 4.320 0.027 0.000 0.248 723 A C -0.359 177.183 177.584 -0.069 0.000 1.082 723 A CA 0.107 52.107 52.037 -0.063 0.000 0.789 723 A CB 0.306 19.285 19.000 -0.034 0.000 1.025 723 A HN 0.604 nan 8.150 nan 0.000 0.490 724 E N 1.015 121.178 120.200 -0.061 0.000 2.234 724 E HA 0.309 4.675 4.350 0.027 0.000 0.266 724 E C -1.435 175.154 176.600 -0.018 0.000 0.877 724 E CA -0.675 55.696 56.400 -0.048 0.000 0.758 724 E CB 0.872 30.534 29.700 -0.064 0.000 1.170 724 E HN 0.671 nan 8.360 nan 0.000 0.415 725 N N 5.089 123.789 118.700 0.001 0.000 2.511 725 N HA 0.272 5.028 4.740 0.027 0.000 0.249 725 N C -0.585 174.935 175.510 0.018 0.000 0.971 725 N CA -0.329 52.727 53.050 0.009 0.000 0.938 725 N CB 1.147 39.643 38.487 0.015 0.000 1.131 725 N HN 0.483 nan 8.380 nan 0.000 0.505 726 L N 0.642 121.874 121.223 0.016 0.000 2.461 726 L HA 0.125 4.482 4.340 0.027 0.000 0.272 726 L C 1.316 178.203 176.870 0.030 0.000 1.197 726 L CA 0.030 54.885 54.840 0.025 0.000 0.836 726 L CB 0.495 42.568 42.059 0.023 0.000 1.105 726 L HN 0.350 nan 8.230 nan 0.000 0.477 727 S N 1.131 116.854 115.700 0.038 0.000 2.488 727 S HA 0.227 4.713 4.470 0.027 0.000 0.278 727 S C 0.571 175.192 174.600 0.034 0.000 1.259 727 S CA -0.720 57.503 58.200 0.039 0.000 1.061 727 S CB 0.639 63.867 63.200 0.047 0.000 0.910 727 S HN 0.473 nan 8.310 nan 0.000 0.491 728 V N 2.289 122.220 119.914 0.029 0.000 3.432 728 V HA 0.351 4.487 4.120 0.027 0.000 0.298 728 V C 0.567 176.676 176.094 0.025 0.000 1.464 728 V CA 0.127 62.443 62.300 0.026 0.000 1.046 728 V CB -0.454 31.382 31.823 0.021 0.000 0.887 728 V HN 0.826 nan 8.190 nan 0.000 0.441 729 T N 1.694 116.265 114.554 0.027 0.000 2.771 729 T HA 0.698 5.064 4.350 0.027 0.000 0.291 729 T C -0.059 174.657 174.700 0.027 0.000 0.954 729 T CA -0.544 61.572 62.100 0.026 0.000 1.045 729 T CB 1.146 70.029 68.868 0.025 0.000 0.917 729 T HN 0.498 nan 8.240 nan 0.000 0.484 730 L N 2.468 123.705 121.223 0.024 0.000 2.456 730 L HA 0.499 4.855 4.340 0.027 0.000 0.272 730 L C -2.206 174.676 176.870 0.021 0.000 1.189 730 L CA -1.720 53.133 54.840 0.022 0.000 0.846 730 L CB -1.081 40.989 42.059 0.019 0.000 1.111 730 L HN 0.373 nan 8.230 nan 0.000 0.475 731 P HA 0.307 nan 4.420 nan 0.000 0.285 731 P C -0.574 176.730 177.300 0.007 0.000 1.259 731 P CA -0.448 62.660 63.100 0.014 0.000 0.794 731 P CB 1.317 33.025 31.700 0.013 0.000 0.940 732 A N 2.963 125.786 122.820 0.005 0.000 2.540 732 A HA 0.346 4.682 4.320 0.027 0.000 0.264 732 A C 0.793 178.359 177.584 -0.029 0.000 1.080 732 A CA 0.042 52.081 52.037 0.003 0.000 0.776 732 A CB -0.886 18.120 19.000 0.009 0.000 1.011 732 A HN 0.639 nan 8.150 nan 0.000 0.514 733 A N 4.422 127.237 122.820 -0.009 0.000 2.484 733 A HA 0.462 4.799 4.320 0.027 0.000 0.268 733 A C 1.003 178.552 177.584 -0.058 0.000 1.114 733 A CA 0.142 52.167 52.037 -0.020 0.000 0.780 733 A CB -0.578 18.423 19.000 0.001 0.000 1.061 733 A HN 1.514 nan 8.150 nan 0.000 0.505 734 S N 2.463 118.105 115.700 -0.097 0.000 3.551 734 S HA -0.156 4.330 4.470 0.027 0.000 0.425 734 S C 0.652 175.198 174.600 -0.089 0.000 1.149 734 S CA 1.258 59.375 58.200 -0.139 0.000 0.912 734 S CB -0.336 62.826 63.200 -0.064 0.000 0.641 734 S HN 0.847 nan 8.310 nan 0.000 0.481 735 H N 0.612 119.697 119.070 0.025 0.000 2.547 735 H HA 0.429 5.001 4.556 0.027 0.000 0.272 735 H C 0.837 176.178 175.328 0.023 0.000 0.989 735 H CA 0.599 56.660 56.048 0.021 0.000 1.214 735 H CB 0.146 29.920 29.762 0.019 0.000 1.389 735 H HN 0.691 nan 8.280 nan 0.000 0.577 736 A N 1.019 123.888 122.820 0.082 0.000 2.530 736 A HA 0.633 4.969 4.320 0.027 0.000 0.288 736 A C -1.258 176.352 177.584 0.044 0.000 1.172 736 A CA -0.856 51.222 52.037 0.068 0.000 0.733 736 A CB 1.338 20.383 19.000 0.075 0.000 1.320 736 A HN 0.251 nan 8.150 nan 0.000 0.419 737 I N 0.014 120.614 120.570 0.049 0.000 2.533 737 I HA 0.696 4.882 4.170 0.027 0.000 0.290 737 I C -2.702 173.449 176.117 0.058 0.000 1.056 737 I CA -2.113 59.210 61.300 0.038 0.000 1.057 737 I CB 2.404 40.420 38.000 0.027 0.000 1.240 737 I HN 0.407 nan 8.210 nan 0.000 0.423 738 P HA 0.099 nan 4.420 nan 0.000 0.272 738 P C -1.284 176.067 177.300 0.085 0.000 1.223 738 P CA 0.195 63.334 63.100 0.065 0.000 0.784 738 P CB 0.444 32.138 31.700 -0.009 0.000 0.923 739 H N 2.353 121.447 119.070 0.040 0.000 2.476 739 H HA 0.349 4.922 4.556 0.027 0.000 0.328 739 H C -0.968 174.386 175.328 0.042 0.000 1.073 739 H CA -0.875 55.192 56.048 0.032 0.000 1.229 739 H CB 1.227 31.010 29.762 0.034 0.000 1.432 739 H HN 0.235 nan 8.280 nan 0.000 0.477 740 L N 4.966 125.743 121.223 -0.743 0.000 2.289 740 L HA 0.310 4.666 4.340 0.027 0.000 0.285 740 L C -0.678 175.908 176.870 -0.475 0.000 1.049 740 L CA -0.018 54.560 54.840 -0.436 0.000 0.804 740 L CB 1.481 43.364 42.059 -0.292 0.000 1.195 740 L HN 0.553 nan 8.230 nan 0.000 0.428 741 T N 3.248 117.733 114.554 -0.115 0.000 2.809 741 T HA 0.461 4.828 4.350 0.027 0.000 0.284 741 T C -0.342 174.430 174.700 0.121 0.000 0.992 741 T CA -0.426 61.693 62.100 0.032 0.000 0.957 741 T CB 1.091 70.025 68.868 0.111 0.000 0.942 741 T HN 0.663 nan 8.240 nan 0.000 0.439 742 T N 3.088 117.723 114.554 0.136 0.000 2.829 742 T HA 0.699 5.065 4.350 0.027 0.000 0.282 742 T C 0.039 174.795 174.700 0.094 0.000 0.990 742 T CA -0.689 61.543 62.100 0.219 0.000 1.028 742 T CB 1.121 70.152 68.868 0.271 0.000 0.951 742 T HN 0.715 nan 8.240 nan 0.000 0.460 743 S N 1.841 117.552 115.700 0.018 0.000 2.618 743 S HA 0.418 4.904 4.470 0.027 0.000 0.277 743 S C 0.759 175.297 174.600 -0.104 0.000 1.138 743 S CA -0.889 57.298 58.200 -0.022 0.000 0.844 743 S CB 1.619 64.819 63.200 -0.001 0.000 1.127 743 S HN 0.501 nan 8.310 nan 0.000 0.474 744 E N 0.987 121.141 120.200 -0.077 0.000 2.070 744 E HA -0.142 4.224 4.350 0.027 0.000 0.197 744 E C 1.631 178.144 176.600 -0.145 0.000 1.004 744 E CA 1.591 57.928 56.400 -0.105 0.000 0.805 744 E CB -0.298 29.367 29.700 -0.059 0.000 0.744 744 E HN 0.655 nan 8.360 nan 0.000 0.451 745 M N 0.377 119.917 119.600 -0.100 0.000 2.349 745 M HA 0.068 4.564 4.480 0.027 0.000 0.266 745 M C -0.061 176.170 176.300 -0.116 0.000 1.076 745 M CA 0.868 56.115 55.300 -0.087 0.000 1.126 745 M CB -0.487 32.096 32.600 -0.030 0.000 1.392 745 M HN -0.139 nan 8.290 nan 0.000 0.440 746 D N -1.698 118.622 120.400 -0.132 0.000 2.583 746 D HA 0.479 5.136 4.640 0.027 0.000 0.248 746 D C -1.474 174.781 176.300 -0.075 0.000 1.209 746 D CA -0.367 53.581 54.000 -0.086 0.000 0.848 746 D CB 1.852 42.681 40.800 0.049 0.000 1.431 746 D HN -0.102 nan 8.370 nan 0.000 0.436 747 F N 0.877 120.895 119.950 0.112 0.000 2.402 747 F HA 0.488 5.031 4.527 0.027 0.000 0.355 747 F C -0.289 175.616 175.800 0.176 0.000 1.123 747 F CA -0.772 57.282 58.000 0.089 0.000 1.021 747 F CB 1.047 40.058 39.000 0.018 0.000 1.160 747 F HN 0.109 nan 8.300 nan 0.000 0.451 748 C N 4.263 123.744 119.300 0.302 0.000 2.435 748 C HA 0.753 5.229 4.460 0.027 0.000 0.333 748 C C -0.393 174.731 174.990 0.223 0.000 1.202 748 C CA -0.720 58.464 59.018 0.277 0.000 1.830 748 C CB 1.235 29.087 27.740 0.186 0.000 2.326 748 C HN 0.510 nan 8.230 nan 0.000 0.507 749 I N 2.081 122.840 120.570 0.315 0.000 2.498 749 I HA 0.494 4.680 4.170 0.027 0.000 0.290 749 I C -0.245 176.128 176.117 0.426 0.000 1.032 749 I CA -0.304 61.167 61.300 0.284 0.000 1.073 749 I CB 1.496 39.611 38.000 0.192 0.000 1.251 749 I HN 0.600 nan 8.210 nan 0.000 0.426 750 E N 4.669 125.056 120.200 0.312 0.000 2.222 750 E HA 0.785 5.152 4.350 0.027 0.000 0.267 750 E C -1.756 175.023 176.600 0.298 0.000 0.884 750 E CA -0.676 55.901 56.400 0.295 0.000 0.764 750 E CB 2.015 31.823 29.700 0.181 0.000 1.169 750 E HN 0.460 nan 8.360 nan 0.000 0.413 751 L N 4.428 125.841 121.223 0.317 0.000 2.611 751 L HA 0.538 4.894 4.340 0.027 0.000 0.263 751 L C 0.330 177.303 176.870 0.172 0.000 0.969 751 L CA 0.675 55.671 54.840 0.259 0.000 0.894 751 L CB 1.143 43.396 42.059 0.324 0.000 1.229 751 L HN 0.694 nan 8.230 nan 0.000 0.416 752 G N 4.573 113.436 108.800 0.106 0.000 2.685 752 G HA2 -0.462 3.514 3.960 0.027 0.000 0.329 752 G HA3 -0.462 3.514 3.960 0.027 0.000 0.329 752 G C 0.716 175.632 174.900 0.026 0.000 1.271 752 G CA 0.771 45.907 45.100 0.060 0.000 1.003 752 G HN 1.141 nan 8.290 nan 0.000 0.549 753 N N 1.555 120.259 118.700 0.007 0.000 2.461 753 N HA 0.079 4.835 4.740 0.027 0.000 0.188 753 N C 0.616 176.083 175.510 -0.072 0.000 1.134 753 N CA 1.121 54.153 53.050 -0.031 0.000 0.878 753 N CB 0.147 38.614 38.487 -0.033 0.000 0.972 753 N HN 0.721 nan 8.380 nan 0.000 0.456 754 K N 0.048 120.403 120.400 -0.076 0.000 2.166 754 K HA 0.478 4.814 4.320 0.027 0.000 0.245 754 K C -0.534 175.909 176.600 -0.261 0.000 0.967 754 K CA -0.778 55.343 56.287 -0.276 0.000 0.863 754 K CB 2.210 34.422 32.500 -0.481 0.000 1.107 754 K HN -0.001 nan 8.250 nan 0.000 0.436 755 R N 1.372 121.607 120.500 -0.442 0.000 2.584 755 R HA 0.313 4.669 4.340 0.027 0.000 0.276 755 R C -1.779 174.438 176.300 -0.139 0.000 1.046 755 R CA -0.589 55.456 56.100 -0.093 0.000 0.906 755 R CB 1.241 31.524 30.300 -0.029 0.000 1.215 755 R HN 0.623 nan 8.270 nan 0.000 0.449 756 W N 3.886 125.278 121.300 0.152 0.000 2.600 756 W HA 0.323 4.999 4.660 0.027 0.000 0.325 756 W C -0.647 175.941 176.519 0.115 0.000 1.034 756 W CA -0.728 56.657 57.345 0.067 0.000 1.226 756 W CB 2.174 31.664 29.460 0.049 0.000 1.379 756 W HN 0.478 nan 8.180 nan 0.000 0.466 757 Q N 2.902 122.830 119.800 0.213 0.000 2.333 757 Q HA 0.389 4.745 4.340 0.027 0.000 0.265 757 Q C -1.713 174.250 176.000 -0.062 0.000 0.989 757 Q CA -0.511 55.414 55.803 0.202 0.000 0.842 757 Q CB 1.139 30.070 28.738 0.323 0.000 1.262 757 Q HN 0.352 nan 8.270 nan 0.000 0.451 758 F N 3.201 123.234 119.950 0.138 0.000 2.375 758 F HA 0.275 4.819 4.527 0.027 0.000 0.361 758 F C 0.641 176.485 175.800 0.073 0.000 1.117 758 F CA -0.846 57.204 58.000 0.083 0.000 1.037 758 F CB 1.042 40.081 39.000 0.065 0.000 1.192 758 F HN 0.488 nan 8.300 nan 0.000 0.452 759 N N 3.537 122.349 118.700 0.187 0.000 2.468 759 N HA 0.032 4.788 4.740 0.027 0.000 0.265 759 N C 0.922 176.471 175.510 0.066 0.000 1.199 759 N CA 0.187 53.305 53.050 0.113 0.000 0.928 759 N CB 0.746 39.302 38.487 0.114 0.000 1.059 759 N HN 0.687 nan 8.380 nan 0.000 0.467 760 R N 2.436 122.909 120.500 -0.044 0.000 2.240 760 R HA -0.023 4.334 4.340 0.027 0.000 0.203 760 R C 1.040 177.295 176.300 -0.074 0.000 1.011 760 R CA 0.750 56.771 56.100 -0.131 0.000 1.007 760 R CB 0.244 30.328 30.300 -0.361 0.000 0.911 760 R HN 0.560 nan 8.270 nan 0.000 0.468 761 Q N -0.212 119.571 119.800 -0.027 0.000 2.302 761 Q HA 0.007 4.363 4.340 0.027 0.000 0.202 761 Q C 1.941 177.959 176.000 0.030 0.000 0.936 761 Q CA 1.462 57.261 55.803 -0.008 0.000 0.886 761 Q CB 0.289 29.031 28.738 0.007 0.000 0.986 761 Q HN 0.272 nan 8.270 nan 0.000 0.487 762 S N -1.647 114.104 115.700 0.084 0.000 2.483 762 S HA 0.291 4.777 4.470 0.027 0.000 0.221 762 S C 1.614 176.249 174.600 0.058 0.000 1.030 762 S CA 0.366 58.670 58.200 0.175 0.000 0.925 762 S CB 0.243 63.649 63.200 0.345 0.000 0.795 762 S HN 0.427 nan 8.310 nan 0.000 0.511 763 G N 0.470 109.263 108.800 -0.013 0.000 2.143 763 G HA2 -0.225 3.751 3.960 0.027 0.000 0.249 763 G HA3 -0.225 3.751 3.960 0.027 0.000 0.249 763 G C -0.118 174.676 174.900 -0.178 0.000 0.981 763 G CA 0.287 45.322 45.100 -0.109 0.000 0.665 763 G HN 0.522 nan 8.290 nan 0.000 0.528 764 F N -1.081 119.049 119.950 0.300 0.000 2.523 764 F HA 0.667 5.210 4.527 0.027 0.000 0.329 764 F C 0.566 176.408 175.800 0.069 0.000 1.061 764 F CA -1.358 56.779 58.000 0.228 0.000 0.967 764 F CB 1.393 40.481 39.000 0.147 0.000 1.218 764 F HN 0.007 nan 8.300 nan 0.000 0.480 765 L N 2.176 123.454 121.223 0.092 0.000 2.515 765 L HA 0.153 4.510 4.340 0.027 0.000 0.281 765 L C 1.035 177.796 176.870 -0.181 0.000 1.131 765 L CA 0.412 54.959 54.840 -0.488 0.000 0.905 765 L CB 0.039 41.795 42.059 -0.504 0.000 1.246 765 L HN 0.695 nan 8.230 nan 0.000 0.463 766 S N 2.519 118.129 115.700 -0.151 0.000 2.503 766 S HA 0.211 4.697 4.470 0.027 0.000 0.217 766 S C 0.619 175.104 174.600 -0.192 0.000 0.999 766 S CA 0.025 58.175 58.200 -0.084 0.000 0.914 766 S CB 0.044 63.247 63.200 0.007 0.000 0.782 766 S HN 0.693 nan 8.310 nan 0.000 0.520 767 Q N -0.068 119.561 119.800 -0.285 0.000 2.527 767 Q HA 0.676 5.032 4.340 0.027 0.000 0.280 767 Q C -2.059 173.619 176.000 -0.536 0.000 0.977 767 Q CA -0.345 55.163 55.803 -0.492 0.000 0.837 767 Q CB 1.708 30.029 28.738 -0.695 0.000 1.454 767 Q HN 0.456 nan 8.270 nan 0.000 0.387 768 M N 1.530 120.703 119.600 -0.713 0.000 2.433 768 M HA 0.602 5.099 4.480 0.027 0.000 0.290 768 M C -1.403 174.549 176.300 -0.580 0.000 1.173 768 M CA -0.483 54.474 55.300 -0.571 0.000 0.905 768 M CB 2.295 34.510 32.600 -0.642 0.000 1.692 768 M HN 0.429 nan 8.290 nan 0.000 0.462 769 W N 3.135 124.210 121.300 -0.374 0.000 2.844 769 W HA 0.686 5.362 4.660 0.027 0.000 0.340 769 W C -1.288 175.044 176.519 -0.312 0.000 1.093 769 W CA -0.711 56.473 57.345 -0.269 0.000 1.212 769 W CB 1.829 31.169 29.460 -0.199 0.000 1.422 769 W HN 0.510 nan 8.180 nan 0.000 0.515 770 I N 2.817 123.388 120.570 0.000 0.000 2.411 770 I HA 0.406 4.593 4.170 0.027 0.000 0.284 770 I C 0.822 176.933 176.117 -0.011 0.000 1.012 770 I CA 0.015 61.274 61.300 -0.069 0.000 1.119 770 I CB 1.158 39.088 38.000 -0.117 0.000 1.261 770 I HN 0.720 nan 8.210 nan 0.000 0.448 771 G N 6.128 114.915 108.800 -0.021 0.000 2.574 771 G HA2 -0.338 3.638 3.960 0.027 0.000 0.286 771 G HA3 -0.338 3.638 3.960 0.027 0.000 0.286 771 G C 0.294 175.208 174.900 0.024 0.000 1.212 771 G CA 0.640 45.732 45.100 -0.013 0.000 0.979 771 G HN 0.840 nan 8.290 nan 0.000 0.557 772 D N 0.585 121.005 120.400 0.033 0.000 2.342 772 D HA 0.203 4.860 4.640 0.027 0.000 0.221 772 D C 0.732 177.143 176.300 0.185 0.000 1.101 772 D CA 0.311 54.360 54.000 0.082 0.000 0.837 772 D CB 0.201 41.016 40.800 0.026 0.000 0.938 772 D HN 0.490 nan 8.370 nan 0.000 0.508 773 K N 1.237 121.716 120.400 0.131 0.000 2.248 773 K HA 0.199 4.535 4.320 0.027 0.000 0.281 773 K C -0.082 176.511 176.600 -0.013 0.000 1.054 773 K CA -0.545 55.783 56.287 0.067 0.000 0.903 773 K CB 1.157 33.655 32.500 -0.003 0.000 1.077 773 K HN -0.036 nan 8.250 nan 0.000 0.474 774 K N 2.465 122.771 120.400 -0.156 0.000 2.382 774 K HA -0.004 4.333 4.320 0.027 0.000 0.275 774 K C 0.973 177.370 176.600 -0.337 0.000 1.009 774 K CA -0.018 55.942 56.287 -0.544 0.000 0.970 774 K CB 0.791 32.990 32.500 -0.501 0.000 0.934 774 K HN 0.437 nan 8.250 nan 0.000 0.479 775 Q N 1.462 121.036 119.800 -0.377 0.000 2.378 775 Q HA 0.160 4.516 4.340 0.027 0.000 0.216 775 Q C 0.122 176.033 176.000 -0.148 0.000 0.892 775 Q CA 0.509 56.214 55.803 -0.164 0.000 0.931 775 Q CB 0.462 29.150 28.738 -0.083 0.000 1.086 775 Q HN 0.498 nan 8.270 nan 0.000 0.528 776 L N 0.717 121.783 121.223 -0.262 0.000 2.346 776 L HA 0.368 4.725 4.340 0.027 0.000 0.274 776 L C 1.008 177.741 176.870 -0.228 0.000 1.007 776 L CA -0.387 54.321 54.840 -0.221 0.000 0.818 776 L CB 1.614 43.535 42.059 -0.229 0.000 1.284 776 L HN -0.077 nan 8.230 nan 0.000 0.424 777 L N 0.672 121.759 121.223 -0.228 0.000 2.357 777 L HA 0.144 4.500 4.340 0.027 0.000 0.211 777 L C 0.751 177.502 176.870 -0.200 0.000 1.075 777 L CA 0.562 55.275 54.840 -0.211 0.000 0.830 777 L CB 0.216 42.139 42.059 -0.226 0.000 0.996 777 L HN 0.759 nan 8.230 nan 0.000 0.467 778 T N -3.198 111.208 114.554 -0.246 0.000 2.900 778 T HA 0.534 4.900 4.350 0.027 0.000 0.295 778 T C -2.842 171.775 174.700 -0.137 0.000 1.044 778 T CA -2.151 59.852 62.100 -0.163 0.000 0.995 778 T CB 2.203 70.986 68.868 -0.143 0.000 1.072 778 T HN -0.315 nan 8.240 nan 0.000 0.473 779 P HA 0.201 nan 4.420 nan 0.000 0.269 779 P C -0.482 176.785 177.300 -0.055 0.000 1.217 779 P CA -0.701 62.363 63.100 -0.060 0.000 0.783 779 P CB 0.292 31.978 31.700 -0.023 0.000 0.898 780 L N 3.232 124.469 121.223 0.023 0.000 2.325 780 L HA 0.231 4.587 4.340 0.027 0.000 0.284 780 L C 0.191 177.068 176.870 0.011 0.000 1.089 780 L CA 0.658 55.559 54.840 0.101 0.000 0.836 780 L CB -0.760 41.466 42.059 0.278 0.000 1.184 780 L HN 0.283 nan 8.230 nan 0.000 0.444 781 R N 2.676 123.087 120.500 -0.148 0.000 2.837 781 R HA 0.451 4.808 4.340 0.027 0.000 0.271 781 R C -0.954 175.248 176.300 -0.164 0.000 0.993 781 R CA -1.022 54.850 56.100 -0.379 0.000 0.931 781 R CB 1.244 31.123 30.300 -0.701 0.000 1.206 781 R HN 0.538 nan 8.270 nan 0.000 0.474 782 D N 1.265 121.631 120.400 -0.056 0.000 2.423 782 D HA 0.018 4.674 4.640 0.027 0.000 0.238 782 D C -0.449 175.448 176.300 -0.671 0.000 1.142 782 D CA 0.552 54.348 54.000 -0.340 0.000 0.884 782 D CB 0.635 41.160 40.800 -0.458 0.000 1.199 782 D HN 0.190 nan 8.370 nan 0.000 0.438 783 Q N 1.350 120.568 119.800 -0.971 0.000 2.285 783 Q HA 0.345 4.701 4.340 0.027 0.000 0.269 783 Q C -1.219 174.050 176.000 -1.219 0.000 1.030 783 Q CA -0.592 54.680 55.803 -0.885 0.000 0.788 783 Q CB 0.830 29.285 28.738 -0.471 0.000 1.266 783 Q HN 0.588 nan 8.270 nan 0.000 0.438 784 F N 0.676 120.230 119.950 -0.659 0.000 2.746 784 F HA 0.194 4.737 4.527 0.027 0.000 0.320 784 F C 0.597 175.951 175.800 -0.744 0.000 1.097 784 F CA -0.255 57.241 58.000 -0.840 0.000 1.195 784 F CB 1.593 39.737 39.000 -1.427 0.000 1.056 784 F HN 0.433 nan 8.300 nan 0.000 0.562 785 T N -0.772 113.467 114.554 -0.525 0.000 2.907 785 T HA 0.772 5.138 4.350 0.027 0.000 0.290 785 T C -0.575 173.873 174.700 -0.419 0.000 1.066 785 T CA -0.952 60.769 62.100 -0.630 0.000 1.012 785 T CB 2.761 71.181 68.868 -0.747 0.000 1.184 785 T HN 0.247 nan 8.240 nan 0.000 0.522 786 R N -0.084 120.215 120.500 -0.335 0.000 2.808 786 R HA 0.776 5.133 4.340 0.027 0.000 0.272 786 R C -0.865 175.485 176.300 0.083 0.000 0.995 786 R CA -1.257 54.778 56.100 -0.108 0.000 0.917 786 R CB 1.525 31.779 30.300 -0.077 0.000 1.217 786 R HN 0.817 nan 8.270 nan 0.000 0.471 787 A N 3.064 125.922 122.820 0.063 0.000 2.484 787 A HA 0.308 4.645 4.320 0.027 0.000 0.268 787 A C -2.049 175.602 177.584 0.112 0.000 1.114 787 A CA -1.405 50.672 52.037 0.066 0.000 0.780 787 A CB -0.443 18.541 19.000 -0.026 0.000 1.061 787 A HN 0.522 nan 8.150 nan 0.000 0.505 788 P HA 0.090 nan 4.420 nan 0.000 0.262 788 P C -0.169 177.242 177.300 0.184 0.000 1.182 788 P CA 0.444 63.708 63.100 0.273 0.000 0.761 788 P CB 0.308 32.193 31.700 0.308 0.000 0.795 789 L N 2.468 123.765 121.223 0.123 0.000 2.479 789 L HA 0.164 4.520 4.340 0.027 0.000 0.248 789 L C 1.832 178.705 176.870 0.005 0.000 1.205 789 L CA -0.468 54.377 54.840 0.008 0.000 0.817 789 L CB -0.031 41.963 42.059 -0.108 0.000 1.162 789 L HN 0.292 nan 8.230 nan 0.000 0.486 790 D N 0.319 120.659 120.400 -0.100 0.000 2.133 790 D HA -0.166 4.490 4.640 0.027 0.000 0.195 790 D C 1.644 177.859 176.300 -0.142 0.000 0.997 790 D CA 1.432 55.298 54.000 -0.223 0.000 0.840 790 D CB -0.001 40.590 40.800 -0.349 0.000 0.947 790 D HN 0.470 nan 8.370 nan 0.000 0.452 791 N N 1.010 119.640 118.700 -0.116 0.000 2.309 791 N HA -0.111 4.646 4.740 0.027 0.000 0.182 791 N C 1.134 176.646 175.510 0.004 0.000 1.018 791 N CA 0.704 53.716 53.050 -0.064 0.000 0.876 791 N CB -0.148 38.289 38.487 -0.082 0.000 0.972 791 N HN 0.261 nan 8.380 nan 0.000 0.434 792 D N 0.219 120.637 120.400 0.031 0.000 2.234 792 D HA 0.067 4.723 4.640 0.027 0.000 0.205 792 D C 1.944 178.278 176.300 0.056 0.000 0.962 792 D CA 0.378 54.428 54.000 0.084 0.000 0.855 792 D CB 0.224 41.151 40.800 0.212 0.000 0.951 792 D HN 0.321 nan 8.370 nan 0.000 0.500 793 I N -0.037 120.553 120.570 0.034 0.000 2.628 793 I HA 0.099 4.286 4.170 0.027 0.000 0.255 793 I C 1.763 177.892 176.117 0.021 0.000 1.119 793 I CA 0.540 61.849 61.300 0.014 0.000 1.448 793 I CB -0.205 37.774 38.000 -0.034 0.000 1.133 793 I HN 0.043 nan 8.210 nan 0.000 0.438 794 G N 1.488 110.314 108.800 0.044 0.000 2.574 794 G HA2 -0.345 3.631 3.960 0.027 0.000 0.286 794 G HA3 -0.345 3.631 3.960 0.027 0.000 0.286 794 G C 0.712 175.770 174.900 0.263 0.000 1.212 794 G CA 0.793 45.986 45.100 0.155 0.000 0.979 794 G HN 0.518 nan 8.290 nan 0.000 0.557 795 V N -1.827 118.185 119.914 0.163 0.000 3.649 795 V HA 0.578 4.714 4.120 0.027 0.000 0.275 795 V C 1.373 177.487 176.094 0.033 0.000 1.281 795 V CA 1.335 63.682 62.300 0.079 0.000 1.143 795 V CB -0.003 31.767 31.823 -0.089 0.000 0.892 795 V HN 1.247 nan 8.190 nan 0.000 0.441 796 S N 1.072 116.789 115.700 0.028 0.000 2.558 796 S HA 0.275 4.762 4.470 0.027 0.000 0.288 796 S C -0.088 174.518 174.600 0.009 0.000 1.318 796 S CA 0.216 58.417 58.200 0.002 0.000 1.056 796 S CB 0.231 63.426 63.200 -0.008 0.000 0.853 796 S HN 0.826 nan 8.310 nan 0.000 0.505 797 E N 1.003 121.204 120.200 0.002 0.000 2.366 797 E HA 0.507 4.873 4.350 0.027 0.000 0.278 797 E C 0.553 177.159 176.600 0.010 0.000 0.923 797 E CA -0.383 56.023 56.400 0.011 0.000 0.761 797 E CB 1.471 31.177 29.700 0.009 0.000 1.231 797 E HN 0.606 nan 8.360 nan 0.000 0.443 798 A N 1.021 123.853 122.820 0.020 0.000 1.915 798 A HA -0.262 4.074 4.320 0.027 0.000 0.220 798 A C 1.856 179.448 177.584 0.014 0.000 1.198 798 A CA 2.821 54.870 52.037 0.020 0.000 0.647 798 A CB -1.057 17.961 19.000 0.029 0.000 0.825 798 A HN 0.694 nan 8.150 nan 0.000 0.456 799 T N -4.164 110.397 114.554 0.013 0.000 3.088 799 T HA 0.217 4.583 4.350 0.027 0.000 0.259 799 T C 0.853 175.551 174.700 -0.005 0.000 1.122 799 T CA 0.409 62.513 62.100 0.006 0.000 1.095 799 T CB 0.114 68.987 68.868 0.009 0.000 0.930 799 T HN 0.274 nan 8.240 nan 0.000 0.508 800 R N 1.052 121.547 120.500 -0.008 0.000 2.984 800 R HA 0.302 4.658 4.340 0.027 0.000 0.252 800 R C -1.286 175.001 176.300 -0.021 0.000 1.842 800 R CA -0.536 55.551 56.100 -0.020 0.000 1.389 800 R CB 0.611 30.892 30.300 -0.030 0.000 1.454 800 R HN 0.207 nan 8.270 nan 0.000 0.578 801 I N 1.558 122.118 120.570 -0.018 0.000 2.692 801 I HA -0.032 4.154 4.170 0.027 0.000 0.284 801 I C 0.753 176.850 176.117 -0.033 0.000 1.159 801 I CA 0.014 61.302 61.300 -0.020 0.000 1.423 801 I CB 0.525 38.516 38.000 -0.016 0.000 1.380 801 I HN 0.315 nan 8.210 nan 0.000 0.580 802 D N 8.635 129.011 120.400 -0.039 0.000 2.473 802 D HA 0.296 4.952 4.640 0.027 0.000 0.226 802 D C -1.761 174.494 176.300 -0.076 0.000 1.089 802 D CA -2.198 51.769 54.000 -0.055 0.000 0.883 802 D CB 1.481 42.250 40.800 -0.052 0.000 1.029 802 D HN 0.181 nan 8.370 nan 0.000 0.517 803 P HA -0.115 nan 4.420 nan 0.000 0.226 803 P C 0.852 178.059 177.300 -0.155 0.000 1.146 803 P CA 0.609 63.649 63.100 -0.099 0.000 0.773 803 P CB 0.418 32.070 31.700 -0.081 0.000 0.772 804 N N 0.128 118.731 118.700 -0.162 0.000 2.416 804 N HA 0.031 4.787 4.740 0.027 0.000 0.177 804 N C 0.484 175.807 175.510 -0.311 0.000 1.036 804 N CA 0.122 53.034 53.050 -0.230 0.000 0.901 804 N CB -0.534 37.847 38.487 -0.176 0.000 0.976 804 N HN -0.038 nan 8.380 nan 0.000 0.444 805 A N -0.414 122.269 122.820 -0.228 0.000 2.498 805 A HA 0.031 4.367 4.320 0.027 0.000 0.239 805 A C 0.722 178.099 177.584 -0.345 0.000 1.068 805 A CA -0.256 51.647 52.037 -0.223 0.000 0.766 805 A CB -0.225 18.713 19.000 -0.103 0.000 1.003 805 A HN 0.537 nan 8.150 nan 0.000 0.497 806 W N 1.752 122.795 121.300 -0.428 0.000 2.321 806 W HA -0.172 4.504 4.660 0.026 0.000 0.306 806 W C 2.206 178.142 176.519 -0.972 0.000 1.217 806 W CA 1.670 58.494 57.345 -0.869 0.000 1.257 806 W CB -0.324 28.470 29.460 -1.109 0.000 1.145 806 W HN 0.570 nan 8.180 nan 0.000 0.509 807 V N 0.928 120.702 119.914 -0.234 0.000 2.392 807 V HA -0.279 3.858 4.120 0.027 0.000 0.249 807 V C 2.148 178.320 176.094 0.130 0.000 1.059 807 V CA 2.154 64.532 62.300 0.131 0.000 1.051 807 V CB -0.337 31.604 31.823 0.198 0.000 0.658 807 V HN 0.101 nan 8.190 nan 0.000 0.455 808 E N -0.118 120.067 120.200 -0.025 0.000 2.107 808 E HA -0.165 4.201 4.350 0.027 0.000 0.191 808 E C 2.328 178.898 176.600 -0.050 0.000 0.982 808 E CA 1.020 57.408 56.400 -0.020 0.000 0.809 808 E CB -0.307 29.356 29.700 -0.063 0.000 0.756 808 E HN 0.635 nan 8.360 nan 0.000 0.459 809 R N -0.069 120.318 120.500 -0.188 0.000 2.066 809 R HA -0.104 4.252 4.340 0.027 0.000 0.232 809 R C 2.310 178.559 176.300 -0.086 0.000 1.131 809 R CA 1.228 57.197 56.100 -0.218 0.000 0.955 809 R CB -0.226 29.819 30.300 -0.425 0.000 0.851 809 R HN 0.239 nan 8.270 nan 0.000 0.432 810 W N 1.685 122.951 121.300 -0.056 0.000 2.358 810 W HA -0.080 4.597 4.660 0.027 0.000 0.303 810 W C 2.001 178.487 176.519 -0.056 0.000 1.208 810 W CA 0.676 57.890 57.345 -0.220 0.000 1.274 810 W CB -0.669 28.806 29.460 0.026 0.000 1.138 810 W HN 0.108 nan 8.180 nan 0.000 0.515 811 K N 0.051 120.683 120.400 0.385 0.000 2.026 811 K HA -0.118 4.219 4.320 0.027 0.000 0.208 811 K C 2.266 178.937 176.600 0.117 0.000 1.048 811 K CA 1.890 58.361 56.287 0.307 0.000 0.929 811 K CB -0.626 31.994 32.500 0.199 0.000 0.713 811 K HN -0.015 nan 8.250 nan 0.000 0.439 812 A N 1.064 123.920 122.820 0.060 0.000 2.019 812 A HA -0.095 4.241 4.320 0.027 0.000 0.219 812 A C 2.178 179.759 177.584 -0.004 0.000 1.164 812 A CA 1.806 53.856 52.037 0.022 0.000 0.644 812 A CB -0.514 18.486 19.000 -0.000 0.000 0.805 812 A HN 0.356 nan 8.150 nan 0.000 0.449 813 A N -2.031 120.764 122.820 -0.042 0.000 2.208 813 A HA 0.407 4.743 4.320 0.027 0.000 0.209 813 A C 1.817 179.339 177.584 -0.103 0.000 1.161 813 A CA 1.225 53.242 52.037 -0.033 0.000 0.782 813 A CB -0.769 18.172 19.000 -0.098 0.000 0.816 813 A HN 1.857 nan 8.150 nan 0.000 0.477 814 G N -1.559 107.085 108.800 -0.261 0.000 2.141 814 G HA2 -0.303 3.673 3.960 0.027 0.000 0.242 814 G HA3 -0.303 3.673 3.960 0.027 0.000 0.242 814 G C 0.617 175.485 174.900 -0.053 0.000 0.982 814 G CA 0.653 45.363 45.100 -0.649 0.000 0.662 814 G HN 0.730 nan 8.290 nan 0.000 0.527 815 H N -1.417 117.619 119.070 -0.056 0.000 2.390 815 H HA -0.140 4.432 4.556 0.027 0.000 0.298 815 H C 2.218 177.505 175.328 -0.068 0.000 1.106 815 H CA 1.756 57.788 56.048 -0.026 0.000 1.297 815 H CB 0.066 29.766 29.762 -0.103 0.000 1.375 815 H HN 0.624 nan 8.280 nan 0.000 0.509 816 Y N 0.340 120.754 120.300 0.189 0.000 2.420 816 Y HA -0.064 4.502 4.550 0.027 0.000 0.292 816 Y C 2.293 178.270 175.900 0.128 0.000 1.119 816 Y CA 0.566 58.740 58.100 0.124 0.000 1.229 816 Y CB 0.335 38.854 38.460 0.099 0.000 1.026 816 Y HN 0.161 nan 8.280 nan 0.000 0.554 817 Q N -0.117 119.842 119.800 0.264 0.000 2.356 817 Q HA 0.242 4.598 4.340 0.027 0.000 0.205 817 Q C 0.630 176.817 176.000 0.313 0.000 0.901 817 Q CA -0.131 55.826 55.803 0.257 0.000 0.938 817 Q CB 0.396 29.283 28.738 0.249 0.000 1.081 817 Q HN 0.284 nan 8.270 nan 0.000 0.517 818 A N 2.737 125.756 122.820 0.333 0.000 2.540 818 A HA 0.016 4.353 4.320 0.027 0.000 0.239 818 A C 0.128 178.030 177.584 0.529 0.000 1.061 818 A CA 0.072 52.379 52.037 0.449 0.000 0.758 818 A CB 0.082 19.375 19.000 0.489 0.000 0.991 818 A HN 0.237 nan 8.150 nan 0.000 0.502 819 E N 1.953 122.393 120.200 0.400 0.000 2.166 819 E HA 0.583 4.949 4.350 0.027 0.000 0.275 819 E C -0.351 176.230 176.600 -0.030 0.000 0.941 819 E CA -0.634 55.911 56.400 0.241 0.000 0.784 819 E CB 1.567 31.361 29.700 0.158 0.000 1.115 819 E HN 0.643 nan 8.360 nan 0.000 0.399 820 A N 2.621 125.285 122.820 -0.260 0.000 2.454 820 A HA 0.480 4.816 4.320 0.027 0.000 0.260 820 A C -0.030 177.408 177.584 -0.242 0.000 1.106 820 A CA -0.054 51.547 52.037 -0.727 0.000 0.780 820 A CB 0.218 18.943 19.000 -0.459 0.000 1.044 820 A HN 0.712 nan 8.150 nan 0.000 0.498 821 A N 2.869 125.544 122.820 -0.241 0.000 2.288 821 A HA 0.575 4.911 4.320 0.027 0.000 0.320 821 A C -0.348 177.171 177.584 -0.107 0.000 1.217 821 A CA -0.555 51.426 52.037 -0.094 0.000 0.840 821 A CB 0.436 19.399 19.000 -0.061 0.000 1.179 821 A HN 1.287 nan 8.150 nan 0.000 0.504 822 L N 3.307 124.461 121.223 -0.115 0.000 2.360 822 L HA 0.342 4.699 4.340 0.027 0.000 0.276 822 L C 0.385 177.130 176.870 -0.209 0.000 1.121 822 L CA 0.314 54.977 54.840 -0.295 0.000 0.845 822 L CB 0.354 42.249 42.059 -0.273 0.000 1.143 822 L HN 0.756 nan 8.230 nan 0.000 0.452 823 L N 3.497 124.574 121.223 -0.243 0.000 2.537 823 L HA 0.353 4.709 4.340 0.027 0.000 0.224 823 L C 0.390 177.189 176.870 -0.118 0.000 1.065 823 L CA 0.008 54.771 54.840 -0.129 0.000 0.860 823 L CB 0.015 42.029 42.059 -0.075 0.000 1.086 823 L HN 0.754 nan 8.230 nan 0.000 0.482 824 Q N -0.394 119.302 119.800 -0.174 0.000 2.574 824 Q HA 0.260 4.616 4.340 0.027 0.000 0.265 824 Q C -2.195 173.740 176.000 -0.107 0.000 0.975 824 Q CA -0.510 55.230 55.803 -0.104 0.000 0.923 824 Q CB 2.715 31.419 28.738 -0.056 0.000 1.518 824 Q HN 0.041 nan 8.270 nan 0.000 0.401 825 C N 3.180 122.464 119.300 -0.026 0.000 2.789 825 C HA 0.807 5.283 4.460 0.027 0.000 0.367 825 C C -0.839 174.263 174.990 0.187 0.000 1.062 825 C CA 0.578 59.630 59.018 0.057 0.000 1.297 825 C CB 0.596 28.359 27.740 0.038 0.000 1.794 825 C HN 0.802 nan 8.230 nan 0.000 0.474 826 T N 2.475 117.078 114.554 0.081 0.000 2.883 826 T HA 0.893 5.259 4.350 0.027 0.000 0.296 826 T C -0.593 173.862 174.700 -0.408 0.000 1.117 826 T CA -0.278 61.809 62.100 -0.021 0.000 1.006 826 T CB 1.928 70.769 68.868 -0.045 0.000 1.191 826 T HN 1.615 nan 8.240 nan 0.000 0.508 827 A N 1.617 124.007 122.820 -0.716 0.000 2.355 827 A HA 0.771 5.108 4.320 0.027 0.000 0.317 827 A C -1.133 176.188 177.584 -0.438 0.000 1.094 827 A CA -0.663 50.862 52.037 -0.853 0.000 0.764 827 A CB 1.167 19.209 19.000 -1.596 0.000 1.230 827 A HN 0.859 nan 8.150 nan 0.000 0.448 828 D N 0.718 120.920 120.400 -0.330 0.000 2.732 828 D HA 0.546 5.202 4.640 0.027 0.000 0.229 828 D C -0.938 175.253 176.300 -0.182 0.000 1.152 828 D CA 0.073 53.948 54.000 -0.207 0.000 0.854 828 D CB 2.455 43.165 40.800 -0.151 0.000 1.590 828 D HN 0.427 nan 8.370 nan 0.000 0.468 829 T N 1.483 115.956 114.554 -0.134 0.000 2.824 829 T HA 0.593 4.959 4.350 0.027 0.000 0.280 829 T C 0.462 175.113 174.700 -0.082 0.000 0.995 829 T CA -0.561 61.470 62.100 -0.114 0.000 1.009 829 T CB 1.084 69.894 68.868 -0.097 0.000 0.955 829 T HN 0.116 nan 8.240 nan 0.000 0.452 830 L N 1.084 122.262 121.223 -0.075 0.000 2.347 830 L HA 0.658 5.014 4.340 0.027 0.000 0.268 830 L C 1.932 178.779 176.870 -0.039 0.000 1.019 830 L CA -1.379 53.429 54.840 -0.053 0.000 0.806 830 L CB 0.335 42.362 42.059 -0.053 0.000 1.339 830 L HN 0.718 nan 8.230 nan 0.000 0.463 831 A N 0.285 123.088 122.820 -0.028 0.000 2.024 831 A HA -0.165 4.171 4.320 0.027 0.000 0.220 831 A C 1.071 178.646 177.584 -0.014 0.000 1.164 831 A CA 2.042 54.069 52.037 -0.017 0.000 0.643 831 A CB -0.567 18.427 19.000 -0.011 0.000 0.806 831 A HN 0.920 nan 8.150 nan 0.000 0.451 832 D N -3.075 117.312 120.400 -0.022 0.000 2.562 832 D HA 0.533 5.190 4.640 0.027 0.000 0.246 832 D C 0.097 176.375 176.300 -0.036 0.000 1.347 832 D CA 0.691 54.679 54.000 -0.020 0.000 0.800 832 D CB -0.322 40.468 40.800 -0.017 0.000 1.111 832 D HN 0.461 nan 8.370 nan 0.000 0.508 833 A N -0.440 122.348 122.820 -0.053 0.000 2.581 833 A HA 0.657 4.994 4.320 0.027 0.000 0.290 833 A C -1.739 175.781 177.584 -0.107 0.000 1.119 833 A CA -0.687 51.301 52.037 -0.082 0.000 0.670 833 A CB 1.550 20.501 19.000 -0.081 0.000 1.280 833 A HN -0.007 nan 8.150 nan 0.000 0.425 834 V N 0.567 120.392 119.914 -0.148 0.000 2.495 834 V HA 0.604 4.740 4.120 0.027 0.000 0.298 834 V C -1.041 174.930 176.094 -0.204 0.000 1.031 834 V CA -0.395 61.793 62.300 -0.186 0.000 0.871 834 V CB 1.353 33.051 31.823 -0.209 0.000 0.988 834 V HN 0.794 nan 8.190 nan 0.000 0.432 835 L N 6.648 127.742 121.223 -0.215 0.000 2.316 835 L HA 0.623 4.979 4.340 0.027 0.000 0.280 835 L C -0.809 175.895 176.870 -0.276 0.000 1.006 835 L CA 0.030 54.752 54.840 -0.197 0.000 0.836 835 L CB 1.078 43.055 42.059 -0.136 0.000 1.221 835 L HN 0.401 nan 8.230 nan 0.000 0.418 836 I N 4.063 124.458 120.570 -0.292 0.000 2.354 836 I HA 0.409 4.596 4.170 0.027 0.000 0.292 836 I C 0.054 176.116 176.117 -0.092 0.000 0.989 836 I CA -0.231 60.837 61.300 -0.387 0.000 1.188 836 I CB 1.518 38.992 38.000 -0.876 0.000 1.342 836 I HN 0.528 nan 8.210 nan 0.000 0.457 837 T N 5.246 119.745 114.554 -0.092 0.000 2.792 837 T HA 0.614 4.980 4.350 0.027 0.000 0.280 837 T C 0.181 174.901 174.700 0.034 0.000 0.990 837 T CA -0.492 61.608 62.100 0.001 0.000 0.960 837 T CB 1.522 70.368 68.868 -0.036 0.000 0.939 837 T HN 0.780 nan 8.240 nan 0.000 0.439 838 T N -0.214 114.399 114.554 0.099 0.000 2.901 838 T HA 0.899 5.266 4.350 0.027 0.000 0.293 838 T C -1.124 173.608 174.700 0.053 0.000 1.084 838 T CA -1.121 61.013 62.100 0.058 0.000 1.008 838 T CB 2.085 71.052 68.868 0.164 0.000 1.170 838 T HN 0.752 nan 8.240 nan 0.000 0.509 839 A N 1.286 124.062 122.820 -0.073 0.000 2.465 839 A HA 0.724 5.060 4.320 0.027 0.000 0.292 839 A C -1.531 175.945 177.584 -0.179 0.000 1.041 839 A CA -0.775 51.265 52.037 0.004 0.000 0.718 839 A CB 0.813 19.821 19.000 0.014 0.000 1.266 839 A HN 0.995 nan 8.150 nan 0.000 0.403 840 H N 0.141 119.238 119.070 0.046 0.000 2.821 840 H HA 0.799 5.371 4.556 0.027 0.000 0.373 840 H C -0.016 175.285 175.328 -0.045 0.000 1.165 840 H CA 0.269 56.257 56.048 -0.100 0.000 1.154 840 H CB 2.155 31.736 29.762 -0.301 0.000 1.765 840 H HN 1.013 nan 8.280 nan 0.000 0.549 841 A N 1.733 124.539 122.820 -0.022 0.000 2.331 841 A HA 0.410 4.746 4.320 0.027 0.000 0.320 841 A C -1.289 176.261 177.584 -0.056 0.000 1.138 841 A CA -0.688 51.397 52.037 0.079 0.000 0.790 841 A CB 0.969 20.007 19.000 0.063 0.000 1.206 841 A HN 0.570 nan 8.150 nan 0.000 0.470 842 W N 2.166 123.591 121.300 0.208 0.000 2.349 842 W HA 0.418 5.095 4.660 0.027 0.000 0.309 842 W C -0.367 176.190 176.519 0.063 0.000 1.083 842 W CA -0.090 57.375 57.345 0.200 0.000 1.224 842 W CB 1.625 31.271 29.460 0.310 0.000 1.256 842 W HN 0.767 nan 8.180 nan 0.000 0.461 843 Q N 1.790 121.743 119.800 0.255 0.000 2.433 843 Q HA 0.435 4.791 4.340 0.027 0.000 0.279 843 Q C -0.911 175.229 176.000 0.234 0.000 1.105 843 Q CA -0.885 55.020 55.803 0.171 0.000 0.815 843 Q CB 3.575 32.368 28.738 0.092 0.000 1.403 843 Q HN 0.381 nan 8.270 nan 0.000 0.435 844 H N 1.384 120.497 119.070 0.073 0.000 3.096 844 H HA 0.089 4.661 4.556 0.027 0.000 0.335 844 H C -0.949 174.415 175.328 0.060 0.000 0.990 844 H CA -0.131 55.967 56.048 0.083 0.000 1.393 844 H CB 1.099 30.920 29.762 0.098 0.000 1.742 844 H HN 0.851 nan 8.280 nan 0.000 0.501 845 Q N 3.209 122.742 119.800 -0.445 0.000 2.435 845 Q HA -0.255 4.101 4.340 0.027 0.000 0.312 845 Q C 0.966 176.909 176.000 -0.096 0.000 1.333 845 Q CA 1.149 56.780 55.803 -0.287 0.000 0.883 845 Q CB -1.301 27.238 28.738 -0.332 0.000 1.170 845 Q HN 1.180 nan 8.270 nan 0.000 0.443 846 G N -0.674 108.098 108.800 -0.047 0.000 2.199 846 G HA2 -0.366 3.610 3.960 0.027 0.000 0.254 846 G HA3 -0.366 3.610 3.960 0.027 0.000 0.254 846 G C 0.021 174.929 174.900 0.014 0.000 0.982 846 G CA 0.482 45.576 45.100 -0.009 0.000 0.632 846 G HN 0.371 nan 8.290 nan 0.000 0.529 847 K N 1.414 121.833 120.400 0.032 0.000 2.159 847 K HA 0.669 5.005 4.320 0.027 0.000 0.266 847 K C -0.064 176.557 176.600 0.036 0.000 0.975 847 K CA -0.181 56.129 56.287 0.038 0.000 0.865 847 K CB 1.091 33.626 32.500 0.058 0.000 1.087 847 K HN -0.016 nan 8.250 nan 0.000 0.446 848 T N 6.155 120.721 114.554 0.020 0.000 2.723 848 T HA 0.223 4.589 4.350 0.027 0.000 0.297 848 T C 1.074 175.737 174.700 -0.063 0.000 0.925 848 T CA -0.379 61.731 62.100 0.017 0.000 1.030 848 T CB 0.193 69.086 68.868 0.041 0.000 0.905 848 T HN 0.542 nan 8.240 nan 0.000 0.502 849 L N 2.612 123.726 121.223 -0.183 0.000 2.102 849 L HA 0.298 4.654 4.340 0.027 0.000 0.202 849 L C 0.028 176.478 176.870 -0.699 0.000 1.076 849 L CA 1.053 55.525 54.840 -0.614 0.000 0.761 849 L CB -0.014 41.318 42.059 -1.212 0.000 0.921 849 L HN 0.521 nan 8.230 nan 0.000 0.444 850 F N -1.237 118.682 119.950 -0.052 0.000 2.601 850 F HA 0.551 5.094 4.527 0.027 0.000 0.309 850 F C -0.526 175.393 175.800 0.197 0.000 1.089 850 F CA -0.812 57.101 58.000 -0.144 0.000 0.940 850 F CB 2.051 40.569 39.000 -0.805 0.000 1.273 850 F HN -0.322 nan 8.300 nan 0.000 0.450 851 I N 1.614 122.409 120.570 0.375 0.000 2.447 851 I HA 0.333 4.519 4.170 0.027 0.000 0.287 851 I C -0.729 175.651 176.117 0.438 0.000 1.023 851 I CA -0.480 61.055 61.300 0.392 0.000 1.083 851 I CB 2.126 40.269 38.000 0.239 0.000 1.245 851 I HN 0.516 nan 8.210 nan 0.000 0.434 852 S N 6.895 122.948 115.700 0.588 0.000 2.474 852 S HA 0.554 5.040 4.470 0.027 0.000 0.321 852 S C -0.593 174.238 174.600 0.385 0.000 1.080 852 S CA -0.673 57.850 58.200 0.538 0.000 1.106 852 S CB 0.485 64.130 63.200 0.742 0.000 0.984 852 S HN 0.512 nan 8.310 nan 0.000 0.464 853 R N 3.758 124.412 120.500 0.256 0.000 2.387 853 R HA 0.566 4.922 4.340 0.027 0.000 0.314 853 R C -0.651 175.712 176.300 0.106 0.000 0.958 853 R CA -0.777 55.426 56.100 0.172 0.000 0.846 853 R CB 1.752 32.131 30.300 0.131 0.000 1.147 853 R HN 0.552 nan 8.270 nan 0.000 0.447 854 K N 0.829 121.282 120.400 0.087 0.000 2.480 854 K HA 0.484 4.820 4.320 0.027 0.000 0.258 854 K C -0.758 175.815 176.600 -0.045 0.000 0.990 854 K CA -0.931 55.335 56.287 -0.036 0.000 0.857 854 K CB 2.561 35.020 32.500 -0.068 0.000 1.384 854 K HN 0.648 nan 8.250 nan 0.000 0.446 855 T N -1.454 113.001 114.554 -0.166 0.000 2.912 855 T HA 0.569 4.935 4.350 0.027 0.000 0.299 855 T C -1.376 173.178 174.700 -0.243 0.000 1.052 855 T CA -0.741 61.299 62.100 -0.099 0.000 0.996 855 T CB 0.533 69.372 68.868 -0.049 0.000 1.070 855 T HN 0.412 nan 8.240 nan 0.000 0.465 856 Y N 0.884 121.147 120.300 -0.063 0.000 2.350 856 Y HA 0.663 5.229 4.550 0.027 0.000 0.338 856 Y C 0.416 176.239 175.900 -0.128 0.000 0.961 856 Y CA -1.097 56.981 58.100 -0.035 0.000 1.100 856 Y CB 2.059 40.517 38.460 -0.003 0.000 1.179 856 Y HN 0.697 nan 8.280 nan 0.000 0.454 857 R N 4.432 124.950 120.500 0.030 0.000 2.388 857 R HA 0.624 4.980 4.340 0.027 0.000 0.314 857 R C -1.700 174.539 176.300 -0.102 0.000 0.959 857 R CA -0.417 55.650 56.100 -0.055 0.000 0.851 857 R CB 0.625 30.901 30.300 -0.039 0.000 1.168 857 R HN 0.790 nan 8.270 nan 0.000 0.472 858 I N 4.884 125.326 120.570 -0.213 0.000 2.336 858 I HA 0.219 4.405 4.170 0.027 0.000 0.292 858 I C -0.122 175.857 176.117 -0.231 0.000 0.991 858 I CA -0.517 60.575 61.300 -0.347 0.000 1.227 858 I CB 1.415 38.992 38.000 -0.705 0.000 1.366 858 I HN 0.670 nan 8.210 nan 0.000 0.466 859 D N 4.254 124.562 120.400 -0.153 0.000 2.525 859 D HA 0.265 4.921 4.640 0.027 0.000 0.249 859 D C 1.174 177.445 176.300 -0.048 0.000 1.072 859 D CA -0.714 53.234 54.000 -0.085 0.000 1.067 859 D CB 0.983 41.753 40.800 -0.049 0.000 1.282 859 D HN 0.487 nan 8.370 nan 0.000 0.587 860 G N -0.563 108.222 108.800 -0.025 0.000 2.507 860 G HA2 -0.296 3.680 3.960 0.027 0.000 0.221 860 G HA3 -0.296 3.680 3.960 0.027 0.000 0.221 860 G C 1.294 176.192 174.900 -0.003 0.000 1.119 860 G CA 1.659 46.757 45.100 -0.004 0.000 0.751 860 G HN 0.627 nan 8.290 nan 0.000 0.574 861 S N -0.672 115.021 115.700 -0.012 0.000 2.561 861 S HA 0.339 4.825 4.470 0.027 0.000 0.225 861 S C 1.919 176.555 174.600 0.060 0.000 0.977 861 S CA 0.972 59.169 58.200 -0.004 0.000 0.926 861 S CB -0.124 63.070 63.200 -0.010 0.000 0.769 861 S HN 1.630 nan 8.310 nan 0.000 0.533 862 G N 0.487 109.341 108.800 0.090 0.000 2.159 862 G HA2 -0.240 3.736 3.960 0.027 0.000 0.256 862 G HA3 -0.240 3.736 3.960 0.027 0.000 0.256 862 G C -0.223 174.815 174.900 0.229 0.000 0.977 862 G CA 0.112 45.343 45.100 0.218 0.000 0.652 862 G HN 0.625 nan 8.290 nan 0.000 0.531 863 Q N -0.375 119.494 119.800 0.115 0.000 2.261 863 Q HA 0.616 4.972 4.340 0.027 0.000 0.252 863 Q C 0.297 176.345 176.000 0.080 0.000 0.915 863 Q CA -0.212 55.672 55.803 0.135 0.000 0.915 863 Q CB 1.494 30.292 28.738 0.101 0.000 1.204 863 Q HN 0.462 nan 8.270 nan 0.000 0.421 864 M N 2.253 121.955 119.600 0.170 0.000 2.066 864 M HA 0.500 4.997 4.480 0.027 0.000 0.340 864 M C -1.310 175.111 176.300 0.201 0.000 1.053 864 M CA -0.474 54.891 55.300 0.109 0.000 0.983 864 M CB 0.824 33.532 32.600 0.180 0.000 1.520 864 M HN 0.695 nan 8.290 nan 0.000 0.428 865 A N 7.003 129.894 122.820 0.119 0.000 2.276 865 A HA 0.675 5.011 4.320 0.027 0.000 0.300 865 A C -0.731 176.895 177.584 0.069 0.000 1.235 865 A CA -0.635 51.468 52.037 0.111 0.000 0.867 865 A CB 0.153 19.193 19.000 0.067 0.000 1.137 865 A HN 0.929 nan 8.150 nan 0.000 0.527 866 I N 2.366 122.964 120.570 0.046 0.000 2.378 866 I HA 0.330 4.516 4.170 0.027 0.000 0.291 866 I C -0.161 175.842 176.117 -0.189 0.000 0.992 866 I CA -0.246 60.969 61.300 -0.142 0.000 1.154 866 I CB 2.062 40.009 38.000 -0.089 0.000 1.315 866 I HN 0.492 nan 8.210 nan 0.000 0.448 867 T N 5.746 120.150 114.554 -0.250 0.000 2.779 867 T HA 0.554 4.920 4.350 0.027 0.000 0.280 867 T C -0.260 174.244 174.700 -0.327 0.000 0.987 867 T CA -0.487 61.471 62.100 -0.236 0.000 0.966 867 T CB 1.840 70.666 68.868 -0.070 0.000 0.933 867 T HN 0.225 nan 8.240 nan 0.000 0.442 868 V N 3.490 123.086 119.914 -0.529 0.000 2.588 868 V HA 0.496 4.633 4.120 0.027 0.000 0.304 868 V C -0.778 175.166 176.094 -0.250 0.000 1.042 868 V CA -0.910 61.107 62.300 -0.472 0.000 0.877 868 V CB 2.073 33.356 31.823 -0.901 0.000 0.996 868 V HN 0.848 nan 8.190 nan 0.000 0.425 869 D N 3.295 123.706 120.400 0.018 0.000 2.505 869 D HA 0.461 5.117 4.640 0.027 0.000 0.250 869 D C -0.945 175.484 176.300 0.214 0.000 1.164 869 D CA -0.097 54.009 54.000 0.177 0.000 0.870 869 D CB 2.627 43.546 40.800 0.200 0.000 1.160 869 D HN 0.246 nan 8.370 nan 0.000 0.549 870 V N 2.322 122.405 119.914 0.281 0.000 2.547 870 V HA 0.294 4.430 4.120 0.027 0.000 0.299 870 V C 0.215 176.461 176.094 0.254 0.000 1.040 870 V CA -0.575 61.905 62.300 0.301 0.000 0.913 870 V CB 2.282 34.324 31.823 0.366 0.000 0.992 870 V HN 0.355 nan 8.190 nan 0.000 0.449 871 E N 2.524 122.856 120.200 0.220 0.000 2.199 871 E HA 0.635 5.001 4.350 0.027 0.000 0.269 871 E C -1.562 175.149 176.600 0.185 0.000 0.899 871 E CA -0.548 55.959 56.400 0.178 0.000 0.772 871 E CB 2.479 32.268 29.700 0.147 0.000 1.155 871 E HN 0.425 nan 8.360 nan 0.000 0.408 872 V N 2.171 122.197 119.914 0.187 0.000 2.487 872 V HA 0.398 4.534 4.120 0.027 0.000 0.298 872 V C 0.010 176.195 176.094 0.151 0.000 1.028 872 V CA -0.963 61.465 62.300 0.213 0.000 0.860 872 V CB 1.526 33.508 31.823 0.265 0.000 0.991 872 V HN 0.836 nan 8.190 nan 0.000 0.427 873 A N 3.401 126.272 122.820 0.085 0.000 2.546 873 A HA 0.295 4.631 4.320 0.027 0.000 0.243 873 A C 1.648 179.304 177.584 0.120 0.000 1.063 873 A CA 0.603 52.682 52.037 0.070 0.000 0.757 873 A CB 0.250 19.258 19.000 0.013 0.000 0.991 873 A HN 1.396 nan 8.150 nan 0.000 0.503 874 S N 1.337 117.104 115.700 0.112 0.000 2.419 874 S HA -0.179 4.307 4.470 0.027 0.000 0.235 874 S C 0.885 175.568 174.600 0.138 0.000 1.019 874 S CA 1.477 59.762 58.200 0.141 0.000 0.982 874 S CB -0.316 62.945 63.200 0.101 0.000 0.789 874 S HN 0.826 nan 8.310 nan 0.000 0.490 875 D N 0.073 120.528 120.400 0.091 0.000 2.340 875 D HA 0.160 4.816 4.640 0.027 0.000 0.217 875 D C 0.417 176.752 176.300 0.059 0.000 1.081 875 D CA -0.024 54.013 54.000 0.061 0.000 0.842 875 D CB -0.333 40.490 40.800 0.038 0.000 0.934 875 D HN 0.298 nan 8.370 nan 0.000 0.511 876 T N 1.627 116.243 114.554 0.103 0.000 2.907 876 T HA 0.388 4.754 4.350 0.027 0.000 0.284 876 T C -2.599 172.210 174.700 0.183 0.000 1.004 876 T CA -1.950 60.235 62.100 0.142 0.000 1.063 876 T CB 1.250 70.222 68.868 0.175 0.000 0.992 876 T HN -0.135 nan 8.240 nan 0.000 0.483 877 P HA 0.041 nan 4.420 nan 0.000 0.264 877 P C -0.601 177.013 177.300 0.523 0.000 1.183 877 P CA 0.176 63.382 63.100 0.177 0.000 0.763 877 P CB -0.066 31.716 31.700 0.138 0.000 0.807 878 H N 3.735 123.166 119.070 0.601 0.000 3.034 878 H HA 0.076 4.648 4.556 0.027 0.000 0.324 878 H C -1.556 174.129 175.328 0.596 0.000 1.015 878 H CA -1.305 55.040 56.048 0.495 0.000 1.429 878 H CB -0.417 29.568 29.762 0.372 0.000 1.429 878 H HN 0.393 nan 8.280 nan 0.000 0.585 879 P HA 0.030 nan 4.420 nan 0.000 0.276 879 P C 0.132 177.335 177.300 -0.162 0.000 1.244 879 P CA -0.353 62.821 63.100 0.124 0.000 0.801 879 P CB 1.137 32.747 31.700 -0.150 0.000 1.006 880 A N 2.817 125.266 122.820 -0.618 0.000 1.972 880 A HA -0.100 4.236 4.320 0.027 0.000 0.219 880 A C 1.042 178.234 177.584 -0.653 0.000 1.169 880 A CA 1.360 52.991 52.037 -0.676 0.000 0.635 880 A CB -0.568 17.781 19.000 -1.086 0.000 0.810 880 A HN 0.755 nan 8.150 nan 0.000 0.446 881 R N -3.015 117.148 120.500 -0.562 0.000 2.728 881 R HA 0.720 5.076 4.340 0.027 0.000 0.274 881 R C -1.697 174.381 176.300 -0.371 0.000 1.030 881 R CA -0.819 54.979 56.100 -0.504 0.000 0.876 881 R CB 0.751 30.732 30.300 -0.533 0.000 1.259 881 R HN -0.006 nan 8.270 nan 0.000 0.468 882 I N 1.098 121.488 120.570 -0.301 0.000 2.517 882 I HA 0.634 4.821 4.170 0.027 0.000 0.280 882 I C -0.408 175.502 176.117 -0.344 0.000 1.061 882 I CA -0.327 60.830 61.300 -0.239 0.000 1.091 882 I CB 1.814 39.742 38.000 -0.120 0.000 1.205 882 I HN 0.965 nan 8.210 nan 0.000 0.459 883 G N 5.690 114.229 108.800 -0.435 0.000 2.664 883 G HA2 0.768 4.745 3.960 0.027 0.000 0.303 883 G HA3 0.768 4.745 3.960 0.027 0.000 0.303 883 G C -1.638 173.107 174.900 -0.259 0.000 1.243 883 G CA -0.567 44.310 45.100 -0.371 0.000 0.826 883 G HN 0.258 nan 8.290 nan 0.000 0.498 884 L N 0.782 121.900 121.223 -0.176 0.000 2.309 884 L HA 0.664 5.020 4.340 0.027 0.000 0.261 884 L C -0.687 176.093 176.870 -0.150 0.000 1.021 884 L CA -1.127 53.640 54.840 -0.121 0.000 0.823 884 L CB 2.497 44.567 42.059 0.018 0.000 1.366 884 L HN 0.807 nan 8.230 nan 0.000 0.423 885 N N 0.373 119.014 118.700 -0.100 0.000 2.610 885 N HA 0.715 5.471 4.740 0.027 0.000 0.264 885 N C -1.297 174.226 175.510 0.022 0.000 1.348 885 N CA -0.590 52.430 53.050 -0.049 0.000 0.819 885 N CB 2.282 40.764 38.487 -0.009 0.000 1.521 885 N HN 0.867 nan 8.380 nan 0.000 0.497 886 C N -1.589 117.735 119.300 0.040 0.000 3.307 886 C HA 0.569 5.045 4.460 0.027 0.000 0.333 886 C C -1.238 173.557 174.990 -0.325 0.000 1.291 886 C CA -0.829 58.154 59.018 -0.058 0.000 1.273 886 C CB 1.035 28.772 27.740 -0.005 0.000 1.580 886 C HN 0.850 nan 8.230 nan 0.000 0.481 887 Q N 1.591 120.974 119.800 -0.695 0.000 2.400 887 Q HA 0.631 4.988 4.340 0.027 0.000 0.255 887 Q C -0.994 174.694 176.000 -0.520 0.000 1.008 887 Q CA -0.401 54.740 55.803 -1.104 0.000 0.841 887 Q CB 0.820 28.547 28.738 -1.685 0.000 1.220 887 Q HN 0.774 nan 8.270 nan 0.000 0.474 888 L N 2.394 123.422 121.223 -0.325 0.000 2.417 888 L HA 0.243 4.599 4.340 0.027 0.000 0.268 888 L C 1.299 178.095 176.870 -0.123 0.000 1.158 888 L CA -0.175 54.595 54.840 -0.117 0.000 0.819 888 L CB 0.771 42.868 42.059 0.063 0.000 1.112 888 L HN 0.782 nan 8.230 nan 0.000 0.458 889 A N 2.140 124.913 122.820 -0.079 0.000 2.015 889 A HA -0.119 4.217 4.320 0.027 0.000 0.219 889 A C 1.049 178.615 177.584 -0.030 0.000 1.163 889 A CA 0.860 52.849 52.037 -0.079 0.000 0.646 889 A CB -0.269 18.679 19.000 -0.086 0.000 0.806 889 A HN 0.813 nan 8.150 nan 0.000 0.448 890 Q N -0.381 119.437 119.800 0.031 0.000 2.214 890 Q HA 0.527 4.884 4.340 0.027 0.000 0.251 890 Q C -1.497 174.554 176.000 0.084 0.000 0.936 890 Q CA -0.486 55.337 55.803 0.034 0.000 0.894 890 Q CB 1.488 30.249 28.738 0.039 0.000 1.252 890 Q HN 0.098 nan 8.270 nan 0.000 0.448 891 V N 2.687 122.622 119.914 0.035 0.000 2.378 891 V HA 0.726 4.862 4.120 0.027 0.000 0.288 891 V C -0.517 175.564 176.094 -0.022 0.000 1.016 891 V CA -0.475 61.873 62.300 0.080 0.000 0.840 891 V CB 0.816 32.662 31.823 0.038 0.000 0.994 891 V HN 0.869 nan 8.190 nan 0.000 0.431 892 A N 3.232 125.992 122.820 -0.100 0.000 2.330 892 A HA 0.719 5.055 4.320 0.027 0.000 0.329 892 A C 0.685 178.265 177.584 -0.007 0.000 1.135 892 A CA -0.489 51.403 52.037 -0.242 0.000 0.817 892 A CB 1.232 19.850 19.000 -0.636 0.000 1.269 892 A HN 0.817 nan 8.150 nan 0.000 0.469 893 E N -0.094 120.097 120.200 -0.015 0.000 2.107 893 E HA -0.054 4.313 4.350 0.027 0.000 0.191 893 E C 0.198 176.864 176.600 0.111 0.000 0.982 893 E CA 0.870 57.300 56.400 0.050 0.000 0.809 893 E CB 0.148 29.862 29.700 0.022 0.000 0.756 893 E HN 0.428 nan 8.360 nan 0.000 0.459 894 R N 0.047 120.620 120.500 0.121 0.000 2.832 894 R HA 0.483 4.839 4.340 0.027 0.000 0.271 894 R C -0.887 175.598 176.300 0.309 0.000 0.996 894 R CA -0.913 55.297 56.100 0.183 0.000 0.977 894 R CB 1.675 32.052 30.300 0.128 0.000 1.168 894 R HN -0.170 nan 8.270 nan 0.000 0.482 895 V N 2.173 122.287 119.914 0.335 0.000 2.444 895 V HA 0.408 4.544 4.120 0.027 0.000 0.294 895 V C -0.198 176.187 176.094 0.485 0.000 1.022 895 V CA -0.930 61.614 62.300 0.407 0.000 0.850 895 V CB 1.756 33.766 31.823 0.312 0.000 0.992 895 V HN 0.648 nan 8.190 nan 0.000 0.426 896 N N 4.563 123.524 118.700 0.435 0.000 2.346 896 N HA 0.540 5.296 4.740 0.027 0.000 0.289 896 N C -1.380 174.386 175.510 0.427 0.000 1.027 896 N CA -0.432 52.835 53.050 0.360 0.000 0.864 896 N CB 2.819 41.407 38.487 0.168 0.000 1.370 896 N HN 0.824 nan 8.380 nan 0.000 0.481 897 W N 3.099 124.438 121.300 0.064 0.000 3.075 897 W HA 0.612 5.288 4.660 0.027 0.000 0.334 897 W C -2.068 174.418 176.519 -0.056 0.000 1.243 897 W CA -1.100 56.255 57.345 0.016 0.000 1.170 897 W CB 0.762 30.244 29.460 0.037 0.000 1.452 897 W HN 0.237 nan 8.180 nan 0.000 0.572 898 L N 3.730 124.934 121.223 -0.033 0.000 2.324 898 L HA 0.915 5.271 4.340 0.027 0.000 0.274 898 L C -0.048 176.686 176.870 -0.227 0.000 1.012 898 L CA 0.309 54.944 54.840 -0.341 0.000 0.859 898 L CB 0.750 42.678 42.059 -0.218 0.000 1.224 898 L HN 1.016 nan 8.230 nan 0.000 0.429 899 G N 3.647 112.172 108.800 -0.459 0.000 2.335 899 G HA2 0.222 4.198 3.960 0.027 0.000 0.291 899 G HA3 0.222 4.198 3.960 0.027 0.000 0.291 899 G C -1.676 173.283 174.900 0.099 0.000 1.261 899 G CA -1.043 44.044 45.100 -0.023 0.000 0.871 899 G HN 0.430 nan 8.290 nan 0.000 0.491 900 L N 0.960 122.376 121.223 0.322 0.000 2.380 900 L HA 0.627 4.983 4.340 0.027 0.000 0.273 900 L C 1.083 178.092 176.870 0.231 0.000 1.138 900 L CA 0.743 55.733 54.840 0.249 0.000 0.832 900 L CB 0.726 42.874 42.059 0.148 0.000 1.124 900 L HN 1.198 nan 8.230 nan 0.000 0.454 901 G N 2.571 111.302 108.800 -0.115 0.000 2.348 901 G HA2 0.217 4.193 3.960 0.027 0.000 0.296 901 G HA3 0.217 4.193 3.960 0.027 0.000 0.296 901 G C -2.731 171.395 174.900 -1.290 0.000 1.258 901 G CA -0.251 44.468 45.100 -0.636 0.000 0.868 901 G HN 0.314 nan 8.290 nan 0.000 0.488 902 P HA 0.064 nan 4.420 nan 0.000 0.227 902 P C 0.496 177.608 177.300 -0.315 0.000 1.161 902 P CA 0.691 63.181 63.100 -1.016 0.000 0.788 902 P CB 0.387 31.615 31.700 -0.788 0.000 0.822 903 Q N 0.496 120.105 119.800 -0.317 0.000 2.318 903 Q HA 0.138 4.494 4.340 0.027 0.000 0.222 903 Q C 0.413 176.307 176.000 -0.177 0.000 1.003 903 Q CA -0.602 55.089 55.803 -0.186 0.000 0.936 903 Q CB 0.593 29.239 28.738 -0.154 0.000 1.204 903 Q HN 0.140 nan 8.270 nan 0.000 0.524 904 E N 1.236 121.337 120.200 -0.165 0.000 2.502 904 E HA -0.117 4.249 4.350 0.027 0.000 0.261 904 E C -1.111 175.404 176.600 -0.140 0.000 0.974 904 E CA 0.284 56.571 56.400 -0.188 0.000 0.936 904 E CB 0.249 29.905 29.700 -0.073 0.000 0.926 904 E HN 0.593 nan 8.360 nan 0.000 0.459 905 N N 2.668 121.211 118.700 -0.260 0.000 2.371 905 N HA 0.298 5.054 4.740 0.027 0.000 0.280 905 N C -1.895 173.384 175.510 -0.385 0.000 1.084 905 N CA -0.660 52.287 53.050 -0.173 0.000 0.892 905 N CB 0.714 39.124 38.487 -0.127 0.000 1.653 905 N HN 0.229 nan 8.380 nan 0.000 0.480 906 Y N 0.382 120.591 120.300 -0.152 0.000 2.630 906 Y HA 0.519 5.086 4.550 0.027 0.000 0.337 906 Y C -1.608 174.218 175.900 -0.124 0.000 1.051 906 Y CA -2.085 55.914 58.100 -0.168 0.000 1.121 906 Y CB 1.658 40.016 38.460 -0.170 0.000 1.299 906 Y HN 0.429 nan 8.280 nan 0.000 0.498 907 P HA -0.193 nan 4.420 nan 0.000 0.216 907 P C 0.448 177.606 177.300 -0.238 0.000 1.157 907 P CA 2.234 65.364 63.100 0.050 0.000 0.880 907 P CB 0.185 32.036 31.700 0.252 0.000 0.791 908 D N -2.182 117.836 120.400 -0.638 0.000 2.342 908 D HA -0.003 4.653 4.640 0.027 0.000 0.221 908 D C 0.698 176.830 176.300 -0.280 0.000 1.101 908 D CA 0.072 53.495 54.000 -0.962 0.000 0.837 908 D CB -0.265 39.743 40.800 -1.319 0.000 0.938 908 D HN 0.138 nan 8.370 nan 0.000 0.508 909 R N 1.035 121.479 120.500 -0.093 0.000 2.627 909 R HA 0.183 4.539 4.340 0.027 0.000 0.251 909 R C -0.576 175.754 176.300 0.050 0.000 1.524 909 R CA -0.159 55.951 56.100 0.018 0.000 1.606 909 R CB 0.007 30.321 30.300 0.023 0.000 1.396 909 R HN 0.100 nan 8.270 nan 0.000 0.724 910 L N -1.968 119.293 121.223 0.062 0.000 3.298 910 L HA 0.357 4.713 4.340 0.027 0.000 0.296 910 L C 1.342 178.275 176.870 0.106 0.000 1.237 910 L CA 0.052 54.931 54.840 0.065 0.000 1.038 910 L CB 0.281 42.367 42.059 0.045 0.000 1.423 910 L HN 0.070 nan 8.230 nan 0.000 0.605 911 T N -2.657 111.988 114.554 0.152 0.000 2.867 911 T HA 0.014 4.380 4.350 0.027 0.000 0.268 911 T C 1.826 176.596 174.700 0.117 0.000 1.057 911 T CA 1.256 63.476 62.100 0.201 0.000 1.136 911 T CB -0.320 68.719 68.868 0.284 0.000 0.874 911 T HN 0.370 nan 8.240 nan 0.000 0.466 912 A N 1.818 124.707 122.820 0.116 0.000 2.066 912 A HA 0.600 4.937 4.320 0.027 0.000 0.218 912 A C 1.676 179.342 177.584 0.136 0.000 1.157 912 A CA 0.619 52.661 52.037 0.008 0.000 0.670 912 A CB -1.095 18.066 19.000 0.268 0.000 0.804 912 A HN 0.866 nan 8.150 nan 0.000 0.453 913 A N -1.128 121.726 122.820 0.057 0.000 2.483 913 A HA 0.403 4.739 4.320 0.027 0.000 0.238 913 A C 0.081 177.699 177.584 0.056 0.000 1.070 913 A CA 0.125 52.159 52.037 -0.004 0.000 0.770 913 A CB -0.217 18.767 19.000 -0.027 0.000 1.008 913 A HN 0.518 nan 8.150 nan 0.000 0.497 914 C N 0.738 120.069 119.300 0.051 0.000 2.507 914 C HA 0.527 5.003 4.460 0.027 0.000 0.319 914 C C -0.139 174.979 174.990 0.213 0.000 1.208 914 C CA -0.487 58.620 59.018 0.149 0.000 1.619 914 C CB 0.827 28.679 27.740 0.186 0.000 2.230 914 C HN 0.791 nan 8.230 nan 0.000 0.492 915 F N 3.981 123.793 119.950 -0.230 0.000 2.444 915 F HA 0.473 5.016 4.527 0.027 0.000 0.360 915 F C 0.341 175.799 175.800 -0.569 0.000 1.106 915 F CA 1.191 58.886 58.000 -0.510 0.000 1.170 915 F CB -0.105 38.074 39.000 -1.367 0.000 1.113 915 F HN 0.613 nan 8.300 nan 0.000 0.521 916 D N 3.427 123.184 120.400 -1.073 0.000 2.792 916 D HA 0.181 4.838 4.640 0.027 0.000 0.335 916 D C -1.630 173.739 176.300 -1.551 0.000 1.353 916 D CA -0.755 52.491 54.000 -1.256 0.000 0.839 916 D CB 1.526 41.468 40.800 -1.430 0.000 1.396 916 D HN 0.477 nan 8.370 nan 0.000 0.479 917 R N 0.672 120.369 120.500 -1.338 0.000 2.221 917 R HA 0.536 4.892 4.340 0.027 0.000 0.327 917 R C -1.361 174.213 176.300 -1.210 0.000 1.033 917 R CA -0.143 55.342 56.100 -1.026 0.000 0.887 917 R CB 0.299 30.242 30.300 -0.595 0.000 1.057 917 R HN 0.300 nan 8.270 nan 0.000 0.455 918 W N 2.548 123.326 121.300 -0.869 0.000 2.781 918 W HA 0.421 5.097 4.660 0.027 0.000 0.345 918 W C -0.604 175.528 176.519 -0.645 0.000 1.085 918 W CA -0.726 56.074 57.345 -0.908 0.000 1.198 918 W CB 1.880 30.361 29.460 -1.632 0.000 1.423 918 W HN 0.388 nan 8.180 nan 0.000 0.532 919 D N 2.521 122.879 120.400 -0.069 0.000 2.763 919 D HA 0.448 5.104 4.640 0.027 0.000 0.235 919 D C -1.537 174.857 176.300 0.157 0.000 1.334 919 D CA -0.145 53.905 54.000 0.084 0.000 0.950 919 D CB 1.145 41.959 40.800 0.024 0.000 1.433 919 D HN 0.383 nan 8.370 nan 0.000 0.580 920 L N 3.059 124.448 121.223 0.277 0.000 2.327 920 L HA 0.573 4.929 4.340 0.027 0.000 0.258 920 L C -2.272 174.713 176.870 0.192 0.000 1.024 920 L CA -2.168 52.804 54.840 0.220 0.000 0.825 920 L CB 2.615 44.836 42.059 0.271 0.000 1.386 920 L HN 0.183 nan 8.230 nan 0.000 0.417 921 P HA 0.011 nan 4.420 nan 0.000 0.269 921 P C 0.551 177.933 177.300 0.137 0.000 1.215 921 P CA -0.327 62.846 63.100 0.121 0.000 0.780 921 P CB 0.900 32.651 31.700 0.085 0.000 0.898 922 L N 3.182 124.493 121.223 0.147 0.000 2.081 922 L HA -0.231 4.126 4.340 0.027 0.000 0.212 922 L C 2.206 179.129 176.870 0.088 0.000 1.080 922 L CA 2.648 57.567 54.840 0.131 0.000 0.754 922 L CB -1.368 40.783 42.059 0.154 0.000 0.893 922 L HN 0.450 nan 8.230 nan 0.000 0.433 923 S N -2.104 113.649 115.700 0.088 0.000 2.474 923 S HA -0.131 4.356 4.470 0.027 0.000 0.235 923 S C 1.521 176.193 174.600 0.119 0.000 0.997 923 S CA 0.916 59.181 58.200 0.108 0.000 0.949 923 S CB -0.678 62.584 63.200 0.104 0.000 0.766 923 S HN 0.501 nan 8.310 nan 0.000 0.517 924 D N 1.294 121.743 120.400 0.081 0.000 2.371 924 D HA 0.098 4.754 4.640 0.027 0.000 0.221 924 D C 1.179 177.490 176.300 0.018 0.000 0.986 924 D CA 0.570 54.597 54.000 0.045 0.000 0.899 924 D CB -0.113 40.718 40.800 0.051 0.000 0.902 924 D HN 0.407 nan 8.370 nan 0.000 0.530 925 M N -0.418 119.203 119.600 0.035 0.000 2.563 925 M HA 0.055 4.551 4.480 0.027 0.000 0.231 925 M C -0.040 176.267 176.300 0.011 0.000 1.136 925 M CA -0.003 55.273 55.300 -0.040 0.000 1.026 925 M CB -0.683 31.877 32.600 -0.067 0.000 1.597 925 M HN -0.048 nan 8.290 nan 0.000 0.495 926 Y N 0.019 120.284 120.300 -0.058 0.000 2.376 926 Y HA 0.493 5.060 4.550 0.027 0.000 0.340 926 Y C -0.802 175.068 175.900 -0.050 0.000 0.965 926 Y CA -0.991 57.096 58.100 -0.021 0.000 1.078 926 Y CB 1.344 39.846 38.460 0.071 0.000 1.193 926 Y HN -0.148 nan 8.280 nan 0.000 0.452 927 T N 9.104 123.264 114.554 -0.656 0.000 2.756 927 T HA 0.288 4.654 4.350 0.027 0.000 0.290 927 T C -2.661 171.368 174.700 -1.120 0.000 0.985 927 T CA -1.472 60.177 62.100 -0.751 0.000 0.955 927 T CB 1.040 69.499 68.868 -0.682 0.000 0.930 927 T HN 0.459 nan 8.240 nan 0.000 0.451 928 P HA 0.125 nan 4.420 nan 0.000 0.225 928 P C -0.594 176.664 177.300 -0.070 0.000 1.768 928 P CA -0.448 62.269 63.100 -0.638 0.000 0.943 928 P CB -0.708 30.760 31.700 -0.387 0.000 1.936 929 Y N -0.246 120.088 120.300 0.057 0.000 2.811 929 Y HA -0.117 4.449 4.550 0.027 0.000 0.334 929 Y C 2.295 178.305 175.900 0.183 0.000 1.247 929 Y CA -0.386 57.823 58.100 0.181 0.000 1.526 929 Y CB 0.482 38.924 38.460 -0.029 0.000 1.284 929 Y HN -0.072 nan 8.280 nan 0.000 0.586 930 V N 3.655 123.854 119.914 0.474 0.000 2.332 930 V HA -0.301 3.836 4.120 0.027 0.000 0.248 930 V C 0.500 176.761 176.094 0.278 0.000 1.055 930 V CA 1.423 63.945 62.300 0.369 0.000 1.038 930 V CB -0.552 31.520 31.823 0.415 0.000 0.651 930 V HN 0.580 nan 8.190 nan 0.000 0.450 931 F N 3.127 123.127 119.950 0.083 0.000 2.371 931 F HA 0.532 5.075 4.527 0.027 0.000 0.363 931 F C -2.575 173.228 175.800 0.004 0.000 1.122 931 F CA -3.422 54.558 58.000 -0.034 0.000 1.129 931 F CB 0.849 39.697 39.000 -0.253 0.000 1.173 931 F HN -0.023 nan 8.300 nan 0.000 0.489 932 P HA 0.305 nan 4.420 nan 0.000 0.275 932 P C -1.083 175.922 177.300 -0.492 0.000 1.228 932 P CA -0.025 62.827 63.100 -0.415 0.000 0.786 932 P CB 1.417 32.919 31.700 -0.330 0.000 0.927 933 S N -0.069 115.528 115.700 -0.171 0.000 2.727 933 S HA 0.472 4.958 4.470 0.027 0.000 0.278 933 S C -0.754 173.842 174.600 -0.007 0.000 1.186 933 S CA -0.927 57.209 58.200 -0.107 0.000 0.836 933 S CB 0.399 63.555 63.200 -0.072 0.000 1.186 933 S HN 0.336 nan 8.310 nan 0.000 0.499 934 E N 1.149 121.354 120.200 0.009 0.000 2.502 934 E HA 0.370 4.737 4.350 0.027 0.000 0.261 934 E C -0.220 176.437 176.600 0.096 0.000 0.974 934 E CA 0.678 57.112 56.400 0.057 0.000 0.936 934 E CB -0.188 29.570 29.700 0.097 0.000 0.926 934 E HN 0.794 nan 8.360 nan 0.000 0.459 935 N N 1.286 120.080 118.700 0.157 0.000 3.046 935 N HA 0.475 5.231 4.740 0.027 0.000 0.243 935 N C 0.172 175.747 175.510 0.109 0.000 1.452 935 N CA -0.597 52.591 53.050 0.230 0.000 0.882 935 N CB 0.889 39.520 38.487 0.241 0.000 1.425 935 N HN 0.743 nan 8.380 nan 0.000 0.517 936 G N -1.301 107.525 108.800 0.043 0.000 2.184 936 G HA2 -0.271 3.705 3.960 0.027 0.000 0.264 936 G HA3 -0.271 3.705 3.960 0.027 0.000 0.264 936 G C -0.204 174.436 174.900 -0.433 0.000 0.975 936 G CA 0.437 45.435 45.100 -0.170 0.000 0.642 936 G HN 0.696 nan 8.290 nan 0.000 0.536 937 L N 0.107 120.989 121.223 -0.569 0.000 2.506 937 L HA 0.640 4.997 4.340 0.027 0.000 0.281 937 L C 0.705 176.991 176.870 -0.974 0.000 1.228 937 L CA 0.494 54.758 54.840 -0.961 0.000 0.850 937 L CB 0.540 41.711 42.059 -1.480 0.000 1.110 937 L HN 0.263 nan 8.230 nan 0.000 0.496 938 R N 2.475 122.324 120.500 -1.085 0.000 2.532 938 R HA 0.489 4.845 4.340 0.027 0.000 0.297 938 R C -0.996 174.952 176.300 -0.587 0.000 0.984 938 R CA -0.274 55.317 56.100 -0.849 0.000 0.884 938 R CB 1.370 30.983 30.300 -1.144 0.000 1.182 938 R HN 0.698 nan 8.270 nan 0.000 0.442 939 C N 0.419 119.524 119.300 -0.325 0.000 2.380 939 C HA 0.699 5.175 4.460 0.027 0.000 0.393 939 C C 1.306 176.276 174.990 -0.034 0.000 1.284 939 C CA 0.028 58.935 59.018 -0.184 0.000 2.033 939 C CB 1.310 28.969 27.740 -0.134 0.000 2.165 939 C HN 1.028 nan 8.230 nan 0.000 0.540 940 G N 1.721 110.516 108.800 -0.009 0.000 2.341 940 G HA2 -0.192 3.784 3.960 0.027 0.000 0.292 940 G HA3 -0.192 3.784 3.960 0.027 0.000 0.292 940 G C -0.036 174.934 174.900 0.117 0.000 1.021 940 G CA 0.624 45.771 45.100 0.079 0.000 0.905 940 G HN 0.806 nan 8.290 nan 0.000 0.508 941 T N 0.174 114.656 114.554 -0.121 0.000 2.743 941 T HA 0.496 4.862 4.350 0.027 0.000 0.293 941 T C 1.308 175.691 174.700 -0.528 0.000 0.945 941 T CA -0.543 61.407 62.100 -0.249 0.000 1.030 941 T CB 1.381 70.115 68.868 -0.223 0.000 0.912 941 T HN 0.226 nan 8.240 nan 0.000 0.483 942 R N 1.607 122.041 120.500 -0.111 0.000 2.307 942 R HA 0.291 4.647 4.340 0.027 0.000 0.200 942 R C 0.482 176.839 176.300 0.095 0.000 0.893 942 R CA 0.143 56.248 56.100 0.009 0.000 1.042 942 R CB 0.410 30.835 30.300 0.209 0.000 1.059 942 R HN 0.705 nan 8.270 nan 0.000 0.530 943 E N 0.516 120.770 120.200 0.090 0.000 2.321 943 E HA 0.333 4.699 4.350 0.027 0.000 0.281 943 E C -1.865 174.876 176.600 0.235 0.000 0.910 943 E CA -0.662 55.865 56.400 0.211 0.000 0.770 943 E CB 1.468 31.256 29.700 0.146 0.000 1.225 943 E HN -0.085 nan 8.360 nan 0.000 0.417 944 L N 4.123 125.540 121.223 0.323 0.000 2.410 944 L HA 0.614 4.970 4.340 0.027 0.000 0.270 944 L C -1.845 175.217 176.870 0.320 0.000 0.983 944 L CA -0.379 54.586 54.840 0.208 0.000 0.822 944 L CB 1.780 43.815 42.059 -0.041 0.000 1.285 944 L HN 0.482 nan 8.230 nan 0.000 0.409 945 N N 4.275 123.142 118.700 0.277 0.000 2.314 945 N HA 0.456 5.212 4.740 0.027 0.000 0.294 945 N C -2.007 173.740 175.510 0.394 0.000 1.029 945 N CA -0.270 52.946 53.050 0.277 0.000 0.845 945 N CB 2.301 40.889 38.487 0.167 0.000 1.321 945 N HN 0.624 nan 8.380 nan 0.000 0.481 946 Y N 0.855 121.302 120.300 0.244 0.000 2.358 946 Y HA 0.395 4.961 4.550 0.027 0.000 0.324 946 Y C 0.558 176.572 175.900 0.189 0.000 1.123 946 Y CA 0.215 58.458 58.100 0.239 0.000 1.067 946 Y CB 0.676 39.342 38.460 0.344 0.000 1.230 946 Y HN 0.845 nan 8.280 nan 0.000 0.429 947 G N 6.369 114.955 108.800 -0.355 0.000 2.596 947 G HA2 -0.292 3.684 3.960 0.027 0.000 0.295 947 G HA3 -0.292 3.684 3.960 0.027 0.000 0.295 947 G C -1.774 173.005 174.900 -0.202 0.000 1.240 947 G CA 0.081 44.992 45.100 -0.315 0.000 0.985 947 G HN 0.619 nan 8.290 nan 0.000 0.555 948 P HA 0.145 nan 4.420 nan 0.000 0.249 948 P C 0.160 177.203 177.300 -0.428 0.000 1.229 948 P CA 0.708 63.596 63.100 -0.353 0.000 0.788 948 P CB 0.018 31.452 31.700 -0.444 0.000 1.072 949 H N 0.362 119.345 119.070 -0.146 0.000 2.472 949 H HA 0.467 5.039 4.556 0.027 0.000 0.335 949 H C -0.137 174.892 175.328 -0.498 0.000 1.136 949 H CA -0.107 55.710 56.048 -0.385 0.000 1.264 949 H CB 1.786 31.047 29.762 -0.835 0.000 1.486 949 H HN 0.073 nan 8.280 nan 0.000 0.517 950 Q N 2.430 121.960 119.800 -0.450 0.000 2.305 950 Q HA 0.264 4.620 4.340 0.027 0.000 0.271 950 Q C -1.590 174.177 176.000 -0.388 0.000 1.046 950 Q CA -0.708 54.948 55.803 -0.244 0.000 0.798 950 Q CB 2.158 30.870 28.738 -0.043 0.000 1.286 950 Q HN 0.576 nan 8.270 nan 0.000 0.435 951 W N 3.368 124.620 121.300 -0.081 0.000 2.819 951 W HA 0.592 5.269 4.660 0.027 0.000 0.337 951 W C -0.293 176.288 176.519 0.104 0.000 1.077 951 W CA -0.773 56.485 57.345 -0.145 0.000 1.226 951 W CB 2.164 31.329 29.460 -0.492 0.000 1.419 951 W HN 0.546 nan 8.180 nan 0.000 0.502 952 R N 0.382 121.104 120.500 0.369 0.000 2.795 952 R HA 0.788 5.144 4.340 0.027 0.000 0.275 952 R C 0.172 176.750 176.300 0.463 0.000 0.981 952 R CA -0.399 55.947 56.100 0.410 0.000 0.917 952 R CB 2.433 32.885 30.300 0.252 0.000 1.202 952 R HN 0.758 nan 8.270 nan 0.000 0.469 953 G N 0.628 109.706 108.800 0.464 0.000 2.553 953 G HA2 0.003 3.979 3.960 0.027 0.000 0.106 953 G HA3 0.003 3.979 3.960 0.027 0.000 0.106 953 G C -1.754 173.314 174.900 0.279 0.000 1.126 953 G CA -0.329 45.013 45.100 0.403 0.000 1.075 953 G HN 0.505 nan 8.290 nan 0.000 0.472 954 D N 0.064 120.633 120.400 0.282 0.000 2.472 954 D HA 0.581 5.237 4.640 0.027 0.000 0.248 954 D C -0.635 175.689 176.300 0.041 0.000 1.271 954 D CA -0.464 53.573 54.000 0.063 0.000 0.888 954 D CB 0.090 40.946 40.800 0.094 0.000 1.337 954 D HN 0.574 nan 8.370 nan 0.000 0.526 955 F N -0.345 119.601 119.950 -0.006 0.000 2.824 955 F HA 0.732 5.275 4.527 0.027 0.000 0.330 955 F C -1.063 174.696 175.800 -0.068 0.000 1.175 955 F CA -1.014 56.917 58.000 -0.115 0.000 0.974 955 F CB 0.732 39.656 39.000 -0.125 0.000 1.430 955 F HN -0.158 nan 8.300 nan 0.000 0.507 956 Q N 1.480 121.345 119.800 0.108 0.000 2.345 956 Q HA 0.633 4.989 4.340 0.027 0.000 0.268 956 Q C -1.310 174.759 176.000 0.115 0.000 1.054 956 Q CA -0.506 55.277 55.803 -0.034 0.000 0.835 956 Q CB 2.729 31.355 28.738 -0.188 0.000 1.339 956 Q HN 0.864 nan 8.270 nan 0.000 0.447 957 F N -1.052 118.777 119.950 -0.201 0.000 2.685 957 F HA 0.769 5.313 4.527 0.027 0.000 0.315 957 F C -1.458 174.126 175.800 -0.360 0.000 1.126 957 F CA -1.087 56.764 58.000 -0.249 0.000 0.950 957 F CB 1.623 40.505 39.000 -0.198 0.000 1.360 957 F HN 0.583 nan 8.300 nan 0.000 0.469 958 N N 1.208 119.726 118.700 -0.304 0.000 2.416 958 N HA 0.735 5.491 4.740 0.027 0.000 0.276 958 N C -2.117 173.325 175.510 -0.114 0.000 1.261 958 N CA -0.755 52.081 53.050 -0.356 0.000 0.790 958 N CB 2.614 40.909 38.487 -0.320 0.000 1.554 958 N HN 1.139 nan 8.380 nan 0.000 0.481 959 I N 0.272 120.768 120.570 -0.123 0.000 2.680 959 I HA 0.660 4.846 4.170 0.027 0.000 0.291 959 I C -1.494 174.537 176.117 -0.143 0.000 1.244 959 I CA 0.050 61.252 61.300 -0.163 0.000 1.042 959 I CB 1.364 39.199 38.000 -0.276 0.000 1.277 959 I HN 1.077 nan 8.210 nan 0.000 0.423 960 S N 6.253 121.880 115.700 -0.122 0.000 2.683 960 S HA 0.511 4.998 4.470 0.027 0.000 0.269 960 S C -0.316 174.167 174.600 -0.194 0.000 1.165 960 S CA -0.974 57.139 58.200 -0.144 0.000 0.840 960 S CB 1.671 64.840 63.200 -0.052 0.000 1.169 960 S HN 0.637 nan 8.310 nan 0.000 0.490 961 R N -0.139 120.065 120.500 -0.493 0.000 2.356 961 R HA 0.269 4.625 4.340 0.027 0.000 0.234 961 R C -0.903 175.054 176.300 -0.571 0.000 0.929 961 R CA 0.275 56.071 56.100 -0.507 0.000 1.084 961 R CB -0.871 29.024 30.300 -0.674 0.000 1.105 961 R HN 0.657 nan 8.270 nan 0.000 0.515 962 Y N 0.230 120.488 120.300 -0.071 0.000 2.350 962 Y HA 0.208 4.774 4.550 0.027 0.000 0.338 962 Y C 0.759 176.447 175.900 -0.353 0.000 0.961 962 Y CA -1.104 56.870 58.100 -0.211 0.000 1.100 962 Y CB 1.477 39.759 38.460 -0.297 0.000 1.179 962 Y HN -0.092 nan 8.280 nan 0.000 0.454 963 S N 1.499 116.863 115.700 -0.560 0.000 2.600 963 S HA 0.055 4.542 4.470 0.027 0.000 0.265 963 S C 0.896 175.155 174.600 -0.569 0.000 1.325 963 S CA -0.744 56.754 58.200 -1.169 0.000 1.002 963 S CB 1.127 63.429 63.200 -1.496 0.000 0.921 963 S HN 0.729 nan 8.310 nan 0.000 0.554 964 Q N 0.567 120.049 119.800 -0.529 0.000 2.124 964 Q HA -0.192 4.164 4.340 0.027 0.000 0.202 964 Q C 2.197 178.056 176.000 -0.234 0.000 0.977 964 Q CA 1.779 57.416 55.803 -0.277 0.000 0.850 964 Q CB -0.527 28.085 28.738 -0.211 0.000 0.901 964 Q HN 0.954 nan 8.270 nan 0.000 0.429 965 Q N 0.513 120.131 119.800 -0.304 0.000 2.084 965 Q HA -0.205 4.152 4.340 0.027 0.000 0.202 965 Q C 2.106 177.999 176.000 -0.178 0.000 0.978 965 Q CA 1.411 57.096 55.803 -0.196 0.000 0.844 965 Q CB 0.045 28.671 28.738 -0.188 0.000 0.898 965 Q HN 0.405 nan 8.270 nan 0.000 0.426 966 Q N 0.041 119.707 119.800 -0.224 0.000 2.079 966 Q HA -0.156 4.200 4.340 0.027 0.000 0.200 966 Q C 2.179 178.061 176.000 -0.197 0.000 0.974 966 Q CA 1.152 56.842 55.803 -0.187 0.000 0.840 966 Q CB -0.036 28.571 28.738 -0.218 0.000 0.898 966 Q HN 0.468 nan 8.270 nan 0.000 0.430 967 L N 0.612 121.711 121.223 -0.206 0.000 2.046 967 L HA -0.205 4.151 4.340 0.027 0.000 0.208 967 L C 2.666 179.417 176.870 -0.197 0.000 1.077 967 L CA 1.433 56.149 54.840 -0.208 0.000 0.747 967 L CB -0.468 41.499 42.059 -0.153 0.000 0.896 967 L HN 0.454 nan 8.230 nan 0.000 0.432 968 M N -1.891 117.621 119.600 -0.147 0.000 2.557 968 M HA -0.067 4.429 4.480 0.027 0.000 0.259 968 M C 1.201 177.436 176.300 -0.107 0.000 1.086 968 M CA 1.530 56.760 55.300 -0.117 0.000 1.096 968 M CB -0.373 32.168 32.600 -0.098 0.000 1.424 968 M HN 0.138 nan 8.290 nan 0.000 0.488 969 E N 0.936 121.069 120.200 -0.112 0.000 2.474 969 E HA 0.123 4.489 4.350 0.027 0.000 0.195 969 E C -0.392 176.165 176.600 -0.072 0.000 1.039 969 E CA 0.053 56.409 56.400 -0.074 0.000 0.881 969 E CB 0.644 30.306 29.700 -0.062 0.000 0.970 969 E HN 0.377 nan 8.360 nan 0.000 0.486 970 T N 0.236 114.713 114.554 -0.129 0.000 2.779 970 T HA 0.108 4.474 4.350 0.027 0.000 0.280 970 T C 1.020 175.624 174.700 -0.160 0.000 0.987 970 T CA -0.483 61.537 62.100 -0.133 0.000 0.966 970 T CB 1.663 70.415 68.868 -0.194 0.000 0.933 970 T HN 0.019 nan 8.240 nan 0.000 0.442 971 S N 1.781 117.486 115.700 0.009 0.000 2.501 971 S HA 0.096 4.582 4.470 0.027 0.000 0.220 971 S C 0.247 174.901 174.600 0.090 0.000 0.997 971 S CA 0.197 58.487 58.200 0.151 0.000 0.919 971 S CB -0.200 63.241 63.200 0.402 0.000 0.778 971 S HN 0.740 nan 8.310 nan 0.000 0.523 972 H N 0.745 119.830 119.070 0.025 0.000 2.759 972 H HA 0.471 5.044 4.556 0.027 0.000 0.354 972 H C 0.941 176.244 175.328 -0.041 0.000 1.074 972 H CA -0.798 55.317 56.048 0.112 0.000 1.226 972 H CB 1.511 31.331 29.762 0.097 0.000 1.648 972 H HN 0.126 nan 8.280 nan 0.000 0.529 973 R N 2.194 122.795 120.500 0.168 0.000 2.139 973 R HA -0.213 4.144 4.340 0.027 0.000 0.243 973 R C 1.250 177.562 176.300 0.021 0.000 1.145 973 R CA 2.054 58.195 56.100 0.068 0.000 0.976 973 R CB -0.521 29.868 30.300 0.148 0.000 0.866 973 R HN 0.780 nan 8.270 nan 0.000 0.449 974 H N 1.013 120.097 119.070 0.024 0.000 2.521 974 H HA 0.005 4.577 4.556 0.027 0.000 0.286 974 H C 1.495 176.750 175.328 -0.122 0.000 1.034 974 H CA 0.912 56.932 56.048 -0.046 0.000 1.278 974 H CB -0.184 29.546 29.762 -0.054 0.000 1.386 974 H HN 0.334 nan 8.280 nan 0.000 0.567 975 L N 0.847 121.686 121.223 -0.640 0.000 2.592 975 L HA 0.212 4.568 4.340 0.027 0.000 0.227 975 L C 0.661 177.383 176.870 -0.246 0.000 1.127 975 L CA -0.185 54.353 54.840 -0.503 0.000 0.884 975 L CB 0.135 41.874 42.059 -0.533 0.000 1.065 975 L HN 0.039 nan 8.230 nan 0.000 0.457 976 L N 0.879 121.948 121.223 -0.255 0.000 2.439 976 L HA 0.118 4.475 4.340 0.027 0.000 0.269 976 L C 0.209 177.027 176.870 -0.086 0.000 1.179 976 L CA 0.021 54.675 54.840 -0.309 0.000 0.828 976 L CB 0.292 41.916 42.059 -0.725 0.000 1.106 976 L HN 0.202 nan 8.230 nan 0.000 0.467 977 H N 1.690 120.767 119.070 0.013 0.000 2.667 977 H HA 0.586 5.158 4.556 0.027 0.000 0.353 977 H C -0.870 174.602 175.328 0.239 0.000 1.072 977 H CA -1.212 54.899 56.048 0.104 0.000 1.214 977 H CB 1.360 31.135 29.762 0.022 0.000 1.600 977 H HN 0.685 nan 8.280 nan 0.000 0.527 978 A N 3.781 126.721 122.820 0.200 0.000 2.520 978 A HA 0.099 4.435 4.320 0.027 0.000 0.245 978 A C 0.334 177.957 177.584 0.066 0.000 1.072 978 A CA -0.138 51.866 52.037 -0.055 0.000 0.761 978 A CB -0.023 18.931 19.000 -0.077 0.000 1.004 978 A HN 0.848 nan 8.150 nan 0.000 0.499 979 E N 0.977 121.172 120.200 -0.008 0.000 2.322 979 E HA 0.205 4.571 4.350 0.027 0.000 0.257 979 E C -0.050 176.590 176.600 0.066 0.000 1.155 979 E CA -0.732 55.749 56.400 0.134 0.000 0.936 979 E CB 0.743 30.596 29.700 0.255 0.000 1.130 979 E HN 0.787 nan 8.360 nan 0.000 0.465 980 E N 0.407 120.647 120.200 0.066 0.000 2.384 980 E HA 0.180 4.546 4.350 0.027 0.000 0.266 980 E C 0.319 176.879 176.600 -0.067 0.000 1.012 980 E CA 0.636 57.035 56.400 -0.001 0.000 0.901 980 E CB 0.365 30.063 29.700 -0.003 0.000 0.967 980 E HN 0.675 nan 8.360 nan 0.000 0.435 981 G N 2.993 111.753 108.800 -0.067 0.000 2.645 981 G HA2 -0.227 3.749 3.960 0.027 0.000 0.239 981 G HA3 -0.227 3.749 3.960 0.027 0.000 0.239 981 G C -0.647 174.185 174.900 -0.114 0.000 1.331 981 G CA -0.119 44.920 45.100 -0.102 0.000 0.890 981 G HN 0.626 nan 8.290 nan 0.000 0.572 982 T N 0.089 114.541 114.554 -0.169 0.000 2.937 982 T HA 0.481 4.847 4.350 0.027 0.000 0.297 982 T C -0.859 173.672 174.700 -0.282 0.000 0.991 982 T CA -0.217 61.795 62.100 -0.146 0.000 0.990 982 T CB 1.302 70.167 68.868 -0.005 0.000 0.991 982 T HN 0.588 nan 8.240 nan 0.000 0.440 983 W N 3.460 124.665 121.300 -0.159 0.000 2.345 983 W HA 0.572 5.249 4.660 0.027 0.000 0.308 983 W C -0.222 176.167 176.519 -0.217 0.000 1.273 983 W CA -0.634 56.615 57.345 -0.160 0.000 1.243 983 W CB 0.625 30.001 29.460 -0.140 0.000 1.260 983 W HN 0.354 nan 8.180 nan 0.000 0.509 984 L N 5.794 127.002 121.223 -0.024 0.000 2.313 984 L HA 0.510 4.867 4.340 0.027 0.000 0.283 984 L C -0.910 175.870 176.870 -0.149 0.000 1.013 984 L CA -0.600 54.116 54.840 -0.207 0.000 0.816 984 L CB 0.883 42.684 42.059 -0.429 0.000 1.236 984 L HN 0.313 nan 8.230 nan 0.000 0.419 985 N N 6.779 125.377 118.700 -0.169 0.000 2.443 985 N HA 0.450 5.207 4.740 0.027 0.000 0.269 985 N C -1.201 174.176 175.510 -0.222 0.000 0.985 985 N CA -0.265 52.686 53.050 -0.166 0.000 0.921 985 N CB 2.292 40.706 38.487 -0.122 0.000 1.195 985 N HN 0.550 nan 8.380 nan 0.000 0.492 986 I N 2.080 122.475 120.570 -0.292 0.000 2.382 986 I HA 0.221 4.407 4.170 0.027 0.000 0.285 986 I C -0.646 175.293 176.117 -0.295 0.000 1.007 986 I CA -0.530 60.560 61.300 -0.349 0.000 1.142 986 I CB 1.347 38.970 38.000 -0.629 0.000 1.289 986 I HN 0.177 nan 8.210 nan 0.000 0.453 987 D N 4.605 124.870 120.400 -0.225 0.000 2.192 987 D HA 0.278 4.934 4.640 0.027 0.000 0.246 987 D C 0.996 177.007 176.300 -0.482 0.000 1.042 987 D CA -0.237 53.563 54.000 -0.333 0.000 0.847 987 D CB 2.524 43.228 40.800 -0.160 0.000 1.186 987 D HN 0.666 nan 8.370 nan 0.000 0.461 988 G N 1.189 109.394 108.800 -0.993 0.000 2.394 988 G HA2 -0.031 3.946 3.960 0.027 0.000 0.215 988 G HA3 -0.031 3.946 3.960 0.027 0.000 0.215 988 G C 0.108 174.226 174.900 -1.304 0.000 1.165 988 G CA 0.601 44.925 45.100 -1.294 0.000 0.784 988 G HN 0.387 nan 8.290 nan 0.000 0.535 989 F N -2.062 117.698 119.950 -0.316 0.000 2.601 989 F HA 0.609 5.152 4.527 0.027 0.000 0.309 989 F C -0.506 175.202 175.800 -0.153 0.000 1.089 989 F CA -1.150 56.746 58.000 -0.173 0.000 0.940 989 F CB 2.181 41.013 39.000 -0.281 0.000 1.273 989 F HN 0.050 nan 8.300 nan 0.000 0.450 990 H N 1.918 121.008 119.070 0.033 0.000 2.771 990 H HA 0.551 5.123 4.556 0.027 0.000 0.361 990 H C -0.828 174.528 175.328 0.047 0.000 1.108 990 H CA -0.895 55.142 56.048 -0.018 0.000 1.201 990 H CB 1.863 31.595 29.762 -0.050 0.000 1.681 990 H HN 0.778 nan 8.280 nan 0.000 0.534 991 M N 3.366 122.885 119.600 -0.136 0.000 2.226 991 M HA 0.338 4.834 4.480 0.027 0.000 0.324 991 M C 0.408 176.818 176.300 0.184 0.000 1.112 991 M CA 0.200 55.515 55.300 0.024 0.000 1.176 991 M CB 0.476 32.998 32.600 -0.131 0.000 1.430 991 M HN 0.817 nan 8.290 nan 0.000 0.462 992 G N 2.227 111.116 108.800 0.148 0.000 2.664 992 G HA2 0.288 4.264 3.960 0.027 0.000 0.242 992 G HA3 0.288 4.264 3.960 0.027 0.000 0.242 992 G C 0.556 175.434 174.900 -0.037 0.000 1.225 992 G CA -0.374 44.744 45.100 0.030 0.000 0.849 992 G HN 0.971 nan 8.290 nan 0.000 0.581 993 I N -1.391 119.107 120.570 -0.121 0.000 3.645 993 I HA 0.404 4.590 4.170 0.027 0.000 0.300 993 I C 1.242 177.279 176.117 -0.133 0.000 1.260 993 I CA 0.400 61.589 61.300 -0.185 0.000 1.365 993 I CB -0.558 37.221 38.000 -0.369 0.000 1.077 993 I HN 0.920 nan 8.210 nan 0.000 0.439 994 G N 1.689 110.434 108.800 -0.092 0.000 2.645 994 G HA2 0.007 3.983 3.960 0.027 0.000 0.246 994 G HA3 0.007 3.983 3.960 0.027 0.000 0.246 994 G C 0.581 175.464 174.900 -0.029 0.000 1.322 994 G CA 0.201 45.283 45.100 -0.029 0.000 0.898 994 G HN 1.385 nan 8.290 nan 0.000 0.573 995 G N -2.431 106.367 108.800 -0.003 0.000 2.559 995 G HA2 0.023 4.000 3.960 0.027 0.000 0.202 995 G HA3 0.023 4.000 3.960 0.027 0.000 0.202 995 G C 0.642 175.587 174.900 0.074 0.000 0.992 995 G CA 0.947 46.052 45.100 0.009 0.000 0.764 995 G HN 0.932 nan 8.290 nan 0.000 0.525 996 D N 1.231 121.696 120.400 0.108 0.000 2.158 996 D HA 0.058 4.714 4.640 0.027 0.000 0.197 996 D C 1.061 177.394 176.300 0.055 0.000 0.995 996 D CA 2.140 56.268 54.000 0.214 0.000 0.846 996 D CB 0.135 41.070 40.800 0.224 0.000 0.941 996 D HN 0.803 nan 8.370 nan 0.000 0.456 997 D N -3.255 116.965 120.400 -0.300 0.000 2.626 997 D HA 0.351 5.007 4.640 0.027 0.000 0.278 997 D C -0.773 174.983 176.300 -0.907 0.000 1.211 997 D CA -0.743 52.649 54.000 -1.014 0.000 0.903 997 D CB 0.996 40.656 40.800 -1.901 0.000 1.408 997 D HN -0.309 nan 8.370 nan 0.000 0.454 998 S N -0.611 114.368 115.700 -1.202 0.000 2.651 998 S HA 0.240 4.726 4.470 0.027 0.000 0.246 998 S C -0.590 174.029 174.600 0.032 0.000 1.039 998 S CA -0.680 57.365 58.200 -0.259 0.000 1.013 998 S CB -0.544 62.772 63.200 0.194 0.000 0.861 998 S HN 0.629 nan 8.310 nan 0.000 0.485 999 W N 0.748 121.987 121.300 -0.101 0.000 2.079 999 W HA 0.507 5.182 4.660 0.026 0.000 0.285 999 W C -0.015 176.449 176.519 -0.092 0.000 0.891 999 W CA -0.457 56.824 57.345 -0.107 0.000 1.308 999 W CB -0.496 28.823 29.460 -0.236 0.000 1.047 999 W HN 0.173 nan 8.180 nan 0.000 0.522 1000 S N -0.957 114.611 115.700 -0.219 0.000 2.556 1000 S HA 0.647 5.133 4.470 0.027 0.000 0.271 1000 S C -3.079 171.454 174.600 -0.111 0.000 1.135 1000 S CA -1.693 56.439 58.200 -0.113 0.000 0.858 1000 S CB 1.862 65.028 63.200 -0.058 0.000 1.114 1000 S HN -0.251 nan 8.310 nan 0.000 0.468 1001 P HA 0.163 nan 4.420 nan 0.000 0.262 1001 P C 0.389 177.729 177.300 0.068 0.000 1.182 1001 P CA 0.078 63.190 63.100 0.019 0.000 0.761 1001 P CB 0.639 32.247 31.700 -0.153 0.000 0.795 1002 S N 0.624 116.401 115.700 0.128 0.000 2.733 1002 S HA 0.126 4.612 4.470 0.027 0.000 0.247 1002 S C 0.222 174.901 174.600 0.131 0.000 1.043 1002 S CA -0.278 57.970 58.200 0.080 0.000 1.066 1002 S CB -0.207 62.989 63.200 -0.006 0.000 1.045 1002 S HN 0.108 nan 8.310 nan 0.000 0.586 1003 V N 2.967 123.002 119.914 0.201 0.000 2.439 1003 V HA 0.358 4.494 4.120 0.027 0.000 0.271 1003 V C 0.795 177.034 176.094 0.242 0.000 1.040 1003 V CA -0.253 62.152 62.300 0.175 0.000 1.002 1003 V CB 0.816 32.678 31.823 0.065 0.000 1.000 1003 V HN 0.498 nan 8.190 nan 0.000 0.477 1004 S N 4.002 119.857 115.700 0.258 0.000 2.568 1004 S HA 0.293 4.779 4.470 0.027 0.000 0.282 1004 S C 1.557 176.295 174.600 0.231 0.000 1.338 1004 S CA 0.064 58.410 58.200 0.244 0.000 1.045 1004 S CB 1.123 64.494 63.200 0.286 0.000 0.873 1004 S HN 0.992 nan 8.310 nan 0.000 0.516 1005 A N 3.417 126.331 122.820 0.157 0.000 1.986 1005 A HA -0.148 4.188 4.320 0.027 0.000 0.220 1005 A C 2.011 179.626 177.584 0.051 0.000 1.171 1005 A CA 1.836 53.952 52.037 0.132 0.000 0.640 1005 A CB -0.603 18.455 19.000 0.096 0.000 0.811 1005 A HN 0.947 nan 8.150 nan 0.000 0.451 1006 E N -0.913 119.255 120.200 -0.054 0.000 2.418 1006 E HA -0.116 4.250 4.350 0.027 0.000 0.197 1006 E C 0.713 177.063 176.600 -0.417 0.000 1.026 1006 E CA 0.740 56.983 56.400 -0.262 0.000 0.862 1006 E CB -0.443 29.014 29.700 -0.405 0.000 0.799 1006 E HN 0.678 nan 8.360 nan 0.000 0.518 1007 F N 1.157 121.156 119.950 0.081 0.000 2.639 1007 F HA 0.277 4.820 4.527 0.026 0.000 0.302 1007 F C 0.783 176.619 175.800 0.060 0.000 1.097 1007 F CA -0.518 57.530 58.000 0.080 0.000 1.294 1007 F CB 0.559 39.605 39.000 0.078 0.000 1.027 1007 F HN -0.195 nan 8.300 nan 0.000 0.550 1008 Q N 1.156 121.058 119.800 0.170 0.000 2.235 1008 Q HA 0.410 4.766 4.340 0.027 0.000 0.250 1008 Q C -0.235 175.800 176.000 0.058 0.000 0.909 1008 Q CA -0.471 55.415 55.803 0.139 0.000 0.910 1008 Q CB 1.794 30.708 28.738 0.294 0.000 1.223 1008 Q HN 0.257 nan 8.270 nan 0.000 0.432 1009 L N 2.460 123.703 121.223 0.035 0.000 2.422 1009 L HA 0.132 4.489 4.340 0.027 0.000 0.256 1009 L C 0.536 177.355 176.870 -0.084 0.000 1.202 1009 L CA -0.094 54.750 54.840 0.006 0.000 1.119 1009 L CB -0.227 41.735 42.059 -0.162 0.000 1.383 1009 L HN 0.699 nan 8.230 nan 0.000 0.411 1010 S N -1.059 114.487 115.700 -0.256 0.000 2.554 1010 S HA 0.138 4.625 4.470 0.027 0.000 0.226 1010 S C 1.671 176.168 174.600 -0.171 0.000 0.980 1010 S CA 0.167 58.007 58.200 -0.600 0.000 0.939 1010 S CB 0.704 63.450 63.200 -0.757 0.000 0.832 1010 S HN 0.526 nan 8.310 nan 0.000 0.486 1011 A N 1.538 124.310 122.820 -0.080 0.000 2.125 1011 A HA 0.411 4.747 4.320 0.027 0.000 0.219 1011 A C 2.133 179.569 177.584 -0.247 0.000 1.156 1011 A CA 1.299 53.147 52.037 -0.315 0.000 0.671 1011 A CB -1.299 17.233 19.000 -0.780 0.000 0.794 1011 A HN 1.439 nan 8.150 nan 0.000 0.459 1012 G N -1.336 107.435 108.800 -0.048 0.000 2.640 1012 G HA2 -0.311 3.665 3.960 0.027 0.000 0.226 1012 G HA3 -0.311 3.665 3.960 0.027 0.000 0.226 1012 G C 0.468 175.374 174.900 0.010 0.000 1.222 1012 G CA 0.495 45.607 45.100 0.020 0.000 0.729 1012 G HN 0.698 nan 8.290 nan 0.000 0.516 1013 R N -0.398 119.990 120.500 -0.186 0.000 2.513 1013 R HA 0.685 5.041 4.340 0.027 0.000 0.301 1013 R C -1.527 174.544 176.300 -0.381 0.000 0.968 1013 R CA -0.550 55.478 56.100 -0.121 0.000 0.872 1013 R CB 1.467 31.727 30.300 -0.067 0.000 1.177 1013 R HN 0.276 nan 8.270 nan 0.000 0.444 1014 Y N 0.441 120.739 120.300 -0.003 0.000 2.512 1014 Y HA 0.365 4.931 4.550 0.027 0.000 0.348 1014 Y C -0.386 175.679 175.900 0.275 0.000 0.990 1014 Y CA -0.803 57.273 58.100 -0.041 0.000 1.033 1014 Y CB 2.190 40.499 38.460 -0.250 0.000 1.259 1014 Y HN 0.577 nan 8.280 nan 0.000 0.461 1015 H N 2.576 121.940 119.070 0.489 0.000 2.679 1015 H HA 0.615 5.187 4.556 0.027 0.000 0.360 1015 H C -1.764 173.957 175.328 0.656 0.000 1.105 1015 H CA -0.913 55.398 56.048 0.438 0.000 1.196 1015 H CB 1.284 31.191 29.762 0.241 0.000 1.636 1015 H HN 0.574 nan 8.280 nan 0.000 0.531 1016 Y N 1.705 121.830 120.300 -0.292 0.000 2.609 1016 Y HA 0.396 4.962 4.550 0.027 0.000 0.336 1016 Y C -1.950 173.738 175.900 -0.352 0.000 1.129 1016 Y CA -1.124 56.851 58.100 -0.209 0.000 1.040 1016 Y CB 1.442 39.860 38.460 -0.071 0.000 1.310 1016 Y HN 0.768 nan 8.280 nan 0.000 0.460 1017 Q N 3.406 123.187 119.800 -0.031 0.000 2.289 1017 Q HA 0.717 5.073 4.340 0.027 0.000 0.270 1017 Q C -2.386 173.692 176.000 0.129 0.000 1.038 1017 Q CA -0.888 54.898 55.803 -0.029 0.000 0.812 1017 Q CB 2.747 31.479 28.738 -0.010 0.000 1.300 1017 Q HN 0.924 nan 8.270 nan 0.000 0.427 1018 L N 2.178 123.461 121.223 0.101 0.000 2.381 1018 L HA 0.710 5.066 4.340 0.027 0.000 0.268 1018 L C -0.790 176.187 176.870 0.179 0.000 0.997 1018 L CA -1.261 53.666 54.840 0.144 0.000 0.818 1018 L CB 2.372 44.484 42.059 0.089 0.000 1.310 1018 L HN 0.469 nan 8.230 nan 0.000 0.416 1019 V N 1.446 121.490 119.914 0.216 0.000 2.417 1019 V HA 0.378 4.514 4.120 0.027 0.000 0.291 1019 V C -1.049 175.218 176.094 0.288 0.000 1.024 1019 V CA -0.403 62.038 62.300 0.235 0.000 0.861 1019 V CB 1.952 33.888 31.823 0.189 0.000 0.985 1019 V HN 0.609 nan 8.190 nan 0.000 0.436 1020 W N 7.010 128.383 121.300 0.122 0.000 2.429 1020 W HA 0.697 5.374 4.660 0.027 0.000 0.314 1020 W C -0.226 176.300 176.519 0.012 0.000 1.062 1020 W CA -1.006 56.341 57.345 0.003 0.000 1.211 1020 W CB 1.430 30.961 29.460 0.119 0.000 1.305 1020 W HN 0.869 nan 8.180 nan 0.000 0.476 1021 C N 3.859 123.422 119.300 0.439 0.000 3.336 1021 C HA 0.583 5.059 4.460 0.027 0.000 0.339 1021 C C -0.473 174.625 174.990 0.181 0.000 1.468 1021 C CA -0.812 58.381 59.018 0.291 0.000 1.287 1021 C CB 1.534 29.383 27.740 0.183 0.000 1.682 1021 C HN 0.685 nan 8.230 nan 0.000 0.451 1022 Q N 1.052 120.908 119.800 0.093 0.000 2.256 1022 Q HA 0.426 4.782 4.340 0.027 0.000 0.232 1022 Q C -0.227 175.758 176.000 -0.024 0.000 0.965 1022 Q CA -0.271 55.528 55.803 -0.007 0.000 0.908 1022 Q CB 1.128 29.850 28.738 -0.028 0.000 1.209 1022 Q HN 0.591 nan 8.270 nan 0.000 0.489 1023 K N 0.000 120.359 120.400 -0.068 0.000 2.780 1023 K HA 0.000 4.336 4.320 0.027 0.000 0.191 1023 K CA 0.000 56.259 56.287 -0.047 0.000 0.838 1023 K CB 0.000 32.460 32.500 -0.067 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543