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 3iaq_1_A 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 ANIVTHGMVP 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 0.000 176.071 176.300 -0.382 0.000 0.893 13 R CA 0.000 55.955 56.100 -0.241 0.000 0.921 13 R CB 0.000 30.157 30.300 -0.238 0.000 0.687 14 R N 1.283 121.470 120.500 -0.522 0.000 2.587 14 R HA 0.223 4.569 4.340 0.010 0.000 0.283 14 R C -0.132 175.608 176.300 -0.933 0.000 1.472 14 R CA -0.441 55.037 56.100 -1.036 0.000 1.578 14 R CB 0.697 30.492 30.300 -0.841 0.000 1.130 14 R HN 0.473 nan 8.270 nan 0.000 0.602 15 D N 1.016 120.960 120.400 -0.760 0.000 2.219 15 D HA -0.170 4.476 4.640 0.010 0.000 0.205 15 D C 1.338 177.460 176.300 -0.297 0.000 0.970 15 D CA 1.120 54.809 54.000 -0.519 0.000 0.851 15 D CB 0.183 40.556 40.800 -0.711 0.000 0.943 15 D HN 0.627 nan 8.370 nan 0.000 0.488 16 W N 1.360 122.631 121.300 -0.049 0.000 3.077 16 W HA 0.202 4.868 4.660 0.010 0.000 0.245 16 W C 0.596 177.199 176.519 0.140 0.000 1.316 16 W CA -0.193 57.254 57.345 0.171 0.000 1.537 16 W CB -0.301 29.319 29.460 0.267 0.000 1.131 16 W HN -0.185 nan 8.180 nan 0.000 0.695 17 E N 0.845 120.918 120.200 -0.213 0.000 2.995 17 E HA 0.056 4.412 4.350 0.010 0.000 0.203 17 E C -0.734 175.695 176.600 -0.285 0.000 0.980 17 E CA -0.216 56.086 56.400 -0.164 0.000 1.172 17 E CB -0.175 29.422 29.700 -0.172 0.000 1.088 17 E HN 0.000 nan 8.360 nan 0.000 0.463 18 N N 1.060 119.625 118.700 -0.225 0.000 2.533 18 N HA 0.167 4.913 4.740 0.010 0.000 0.289 18 N C -2.414 172.942 175.510 -0.256 0.000 1.103 18 N CA -2.075 50.812 53.050 -0.272 0.000 0.877 18 N CB 1.606 39.941 38.487 -0.254 0.000 1.419 18 N HN -0.183 nan 8.380 nan 0.000 0.517 19 P HA 0.166 nan 4.420 nan 0.000 0.245 19 P C 0.914 177.974 177.300 -0.401 0.000 1.212 19 P CA 0.314 63.087 63.100 -0.545 0.000 0.774 19 P CB 0.180 31.120 31.700 -1.267 0.000 0.999 20 G N -0.339 108.279 108.800 -0.303 0.000 2.603 20 G HA2 0.056 4.022 3.960 0.010 0.000 0.214 20 G HA3 0.056 4.022 3.960 0.010 0.000 0.214 20 G C 0.266 175.087 174.900 -0.132 0.000 1.140 20 G CA 0.184 45.156 45.100 -0.212 0.000 0.800 20 G HN 0.181 nan 8.290 nan 0.000 0.533 21 V N 2.134 121.984 119.914 -0.107 0.000 2.293 21 V HA 0.285 4.411 4.120 0.010 0.000 0.275 21 V C 1.076 177.217 176.094 0.079 0.000 1.021 21 V CA 0.290 62.577 62.300 -0.023 0.000 0.815 21 V CB 0.874 32.661 31.823 -0.061 0.000 1.025 21 V HN 0.355 nan 8.190 nan 0.000 0.448 22 T N 0.834 115.428 114.554 0.067 0.000 3.014 22 T HA 0.295 4.651 4.350 0.010 0.000 0.250 22 T C 0.373 175.113 174.700 0.067 0.000 1.060 22 T CA 0.163 62.309 62.100 0.076 0.000 1.040 22 T CB 0.365 69.237 68.868 0.006 0.000 0.971 22 T HN 0.646 nan 8.240 nan 0.000 0.497 23 Q N 0.184 120.049 119.800 0.109 0.000 2.633 23 Q HA 0.715 5.061 4.340 0.010 0.000 0.289 23 Q C -2.097 174.014 176.000 0.186 0.000 0.940 23 Q CA -1.027 54.838 55.803 0.104 0.000 0.785 23 Q CB 1.091 29.819 28.738 -0.017 0.000 1.467 23 Q HN 0.232 nan 8.270 nan 0.000 0.401 24 L N 1.608 122.971 121.223 0.233 0.000 2.439 24 L HA 0.583 4.929 4.340 0.010 0.000 0.270 24 L C -0.678 176.319 176.870 0.212 0.000 0.972 24 L CA -0.797 54.193 54.840 0.249 0.000 0.836 24 L CB 1.830 44.138 42.059 0.415 0.000 1.255 24 L HN 0.805 nan 8.230 nan 0.000 0.404 25 N N 0.903 119.692 118.700 0.149 0.000 2.741 25 N HA -0.212 4.534 4.740 0.010 0.000 0.251 25 N C 0.177 175.765 175.510 0.130 0.000 1.112 25 N CA 0.816 53.940 53.050 0.124 0.000 0.750 25 N CB -0.867 37.643 38.487 0.038 0.000 1.119 25 N HN 0.636 nan 8.380 nan 0.000 0.561 26 R N 0.772 121.261 120.500 -0.019 0.000 2.490 26 R HA 0.376 4.723 4.340 0.010 0.000 0.280 26 R C 0.550 176.704 176.300 -0.242 0.000 1.077 26 R CA -0.314 55.542 56.100 -0.408 0.000 1.065 26 R CB 0.525 30.572 30.300 -0.422 0.000 1.003 26 R HN 0.135 nan 8.270 nan 0.000 0.470 27 L N 2.762 123.814 121.223 -0.284 0.000 2.466 27 L HA 0.335 4.681 4.340 0.010 0.000 0.257 27 L C 0.619 177.437 176.870 -0.086 0.000 1.189 27 L CA -0.624 54.147 54.840 -0.115 0.000 0.813 27 L CB 0.895 42.920 42.059 -0.057 0.000 1.118 27 L HN 0.754 nan 8.230 nan 0.000 0.471 28 A N 1.111 123.925 122.820 -0.010 0.000 2.425 28 A HA 0.546 4.872 4.320 0.010 0.000 0.242 28 A C 0.253 177.855 177.584 0.031 0.000 1.077 28 A CA -0.047 51.993 52.037 0.006 0.000 0.781 28 A CB 0.309 19.331 19.000 0.037 0.000 1.020 28 A HN 0.788 nan 8.150 nan 0.000 0.494 29 A N 0.957 123.747 122.820 -0.050 0.000 2.346 29 A HA 0.674 5.001 4.320 0.010 0.000 0.252 29 A C 0.110 177.628 177.584 -0.109 0.000 1.089 29 A CA 0.573 52.507 52.037 -0.172 0.000 0.797 29 A CB -0.090 18.808 19.000 -0.170 0.000 1.047 29 A HN 1.960 nan 8.150 nan 0.000 0.494 30 H N -3.033 115.894 119.070 -0.238 0.000 2.935 30 H HA 0.575 5.137 4.556 0.010 0.000 0.297 30 H C -3.426 171.611 175.328 -0.485 0.000 1.423 30 H CA -1.685 54.143 56.048 -0.367 0.000 1.161 30 H CB 0.025 29.461 29.762 -0.544 0.000 1.841 30 H HN 0.394 nan 8.280 nan 0.000 0.506 31 P HA 0.213 nan 4.420 nan 0.000 0.274 31 P C -2.579 174.515 177.300 -0.343 0.000 1.256 31 P CA -1.428 61.438 63.100 -0.390 0.000 0.795 31 P CB -0.238 31.132 31.700 -0.550 0.000 1.038 32 P HA 0.025 nan 4.420 nan 0.000 0.261 32 P C -0.865 176.605 177.300 0.283 0.000 1.183 32 P CA 1.028 64.148 63.100 0.032 0.000 0.761 32 P CB -0.174 31.593 31.700 0.112 0.000 0.785 33 F N 2.001 122.042 119.950 0.152 0.000 2.492 33 F HA 0.600 5.133 4.527 0.010 0.000 0.327 33 F C 1.030 176.746 175.800 -0.139 0.000 1.079 33 F CA -1.397 56.626 58.000 0.039 0.000 0.967 33 F CB 1.311 40.300 39.000 -0.018 0.000 1.169 33 F HN 0.307 nan 8.300 nan 0.000 0.472 34 A N 0.503 123.220 122.820 -0.173 0.000 2.377 34 A HA 0.308 4.634 4.320 0.010 0.000 0.209 34 A C 0.707 177.934 177.584 -0.595 0.000 1.359 34 A CA 0.631 52.308 52.037 -0.601 0.000 1.026 34 A CB -0.325 17.787 19.000 -1.479 0.000 1.224 34 A HN 0.877 nan 8.150 nan 0.000 0.528 35 S N 0.405 115.864 115.700 -0.403 0.000 3.524 35 S HA -0.143 4.333 4.470 0.010 0.000 0.377 35 S C -0.089 174.392 174.600 -0.198 0.000 0.949 35 S CA 0.383 58.420 58.200 -0.270 0.000 1.264 35 S CB -1.627 61.432 63.200 -0.235 0.000 0.918 35 S HN 0.443 nan 8.310 nan 0.000 0.517 36 W N 2.066 123.333 121.300 -0.055 0.000 2.137 36 W HA 0.298 4.964 4.660 0.010 0.000 0.344 36 W C 1.430 177.916 176.519 -0.055 0.000 1.286 36 W CA -0.645 56.674 57.345 -0.043 0.000 1.240 36 W CB 0.289 29.726 29.460 -0.038 0.000 1.141 36 W HN 0.393 nan 8.180 nan 0.000 0.579 37 R N 1.226 121.848 120.500 0.203 0.000 2.476 37 R HA 0.066 4.412 4.340 0.010 0.000 0.276 37 R C 0.057 176.402 176.300 0.074 0.000 0.941 37 R CA -0.055 56.101 56.100 0.094 0.000 1.088 37 R CB -0.030 30.295 30.300 0.042 0.000 1.216 37 R HN 0.412 nan 8.270 nan 0.000 0.533 38 N N 0.385 119.140 118.700 0.091 0.000 2.354 38 N HA 0.127 4.873 4.740 0.010 0.000 0.287 38 N C -0.131 175.340 175.510 -0.065 0.000 1.016 38 N CA 0.006 53.061 53.050 0.008 0.000 0.871 38 N CB 1.831 40.316 38.487 -0.003 0.000 1.299 38 N HN -0.241 nan 8.380 nan 0.000 0.482 39 S N 2.445 118.090 115.700 -0.090 0.000 2.428 39 S HA -0.131 4.345 4.470 0.010 0.000 0.230 39 S C 1.396 175.828 174.600 -0.279 0.000 1.014 39 S CA 0.798 58.908 58.200 -0.149 0.000 0.957 39 S CB -0.015 63.132 63.200 -0.088 0.000 0.784 39 S HN 0.748 nan 8.310 nan 0.000 0.499 40 E N 1.734 121.779 120.200 -0.258 0.000 2.106 40 E HA -0.119 4.237 4.350 0.010 0.000 0.192 40 E C 1.812 178.186 176.600 -0.376 0.000 0.984 40 E CA 1.031 57.239 56.400 -0.321 0.000 0.806 40 E CB -0.107 29.457 29.700 -0.227 0.000 0.750 40 E HN 0.253 nan 8.360 nan 0.000 0.458 41 E N 0.202 120.181 120.200 -0.368 0.000 2.106 41 E HA -0.109 4.247 4.350 0.010 0.000 0.192 41 E C 1.966 177.938 176.600 -1.048 0.000 0.984 41 E CA 1.053 57.168 56.400 -0.475 0.000 0.806 41 E CB -0.489 29.063 29.700 -0.246 0.000 0.750 41 E HN 0.378 nan 8.360 nan 0.000 0.458 42 A N 1.688 123.743 122.820 -1.274 0.000 1.858 42 A HA -0.204 4.122 4.320 0.010 0.000 0.216 42 A C 2.265 179.307 177.584 -0.903 0.000 1.190 42 A CA 1.747 52.822 52.037 -1.603 0.000 0.617 42 A CB -0.543 18.018 19.000 -0.731 0.000 0.827 42 A HN 0.145 nan 8.150 nan 0.000 0.443 43 R N -0.332 119.798 120.500 -0.617 0.000 2.083 43 R HA -0.158 4.188 4.340 0.010 0.000 0.237 43 R C 2.199 178.252 176.300 -0.412 0.000 1.137 43 R CA 2.297 58.083 56.100 -0.524 0.000 0.951 43 R CB -0.602 29.248 30.300 -0.750 0.000 0.851 43 R HN 0.660 nan 8.270 nan 0.000 0.434 44 T N -2.513 111.799 114.554 -0.404 0.000 3.085 44 T HA -0.042 4.314 4.350 0.010 0.000 0.263 44 T C 0.539 175.124 174.700 -0.192 0.000 1.127 44 T CA 0.883 62.826 62.100 -0.260 0.000 1.103 44 T CB -0.110 68.627 68.868 -0.217 0.000 0.921 44 T HN 0.463 nan 8.240 nan 0.000 0.510 45 D N 0.427 120.654 120.400 -0.287 0.000 3.012 45 D HA -0.169 4.477 4.640 0.010 0.000 0.222 45 D C 0.089 176.439 176.300 0.085 0.000 1.167 45 D CA 0.433 54.374 54.000 -0.098 0.000 0.854 45 D CB -1.220 39.602 40.800 0.037 0.000 1.107 45 D HN 0.572 nan 8.370 nan 0.000 0.421 46 R N 0.038 120.538 120.500 0.001 0.000 2.707 46 R HA 0.421 4.767 4.340 0.010 0.000 0.270 46 R C -2.077 174.434 176.300 0.351 0.000 1.083 46 R CA -1.123 55.050 56.100 0.121 0.000 1.182 46 R CB 0.112 30.432 30.300 0.033 0.000 1.084 46 R HN 0.107 nan 8.270 nan 0.000 0.528 47 P HA -0.026 nan 4.420 nan 0.000 0.269 47 P C -0.828 176.681 177.300 0.348 0.000 1.215 47 P CA 0.132 63.397 63.100 0.276 0.000 0.780 47 P CB 0.746 32.546 31.700 0.166 0.000 0.898 48 S N 1.056 116.864 115.700 0.179 0.000 2.454 48 S HA 0.133 4.609 4.470 0.010 0.000 0.306 48 S C 0.921 175.549 174.600 0.046 0.000 1.100 48 S CA -0.538 57.674 58.200 0.019 0.000 1.087 48 S CB 0.422 63.270 63.200 -0.586 0.000 1.019 48 S HN 0.220 nan 8.310 nan 0.000 0.480 49 Q N 2.768 122.622 119.800 0.089 0.000 2.364 49 Q HA -0.026 4.320 4.340 0.010 0.000 0.207 49 Q C 0.987 177.091 176.000 0.173 0.000 0.970 49 Q CA 1.189 57.072 55.803 0.134 0.000 0.888 49 Q CB -0.090 28.721 28.738 0.123 0.000 0.951 49 Q HN 0.684 nan 8.270 nan 0.000 0.469 50 Q N -0.400 119.408 119.800 0.014 0.000 2.392 50 Q HA 0.121 4.467 4.340 0.010 0.000 0.203 50 Q C -0.240 175.786 176.000 0.043 0.000 0.917 50 Q CA 0.119 55.854 55.803 -0.114 0.000 0.939 50 Q CB 0.480 29.073 28.738 -0.241 0.000 1.063 50 Q HN 0.053 nan 8.270 nan 0.000 0.516 51 L N 0.993 122.264 121.223 0.081 0.000 2.324 51 L HA 0.411 4.758 4.340 0.010 0.000 0.274 51 L C -1.095 175.866 176.870 0.152 0.000 1.012 51 L CA -0.248 54.653 54.840 0.100 0.000 0.859 51 L CB 0.855 42.884 42.059 -0.051 0.000 1.224 51 L HN -0.127 nan 8.230 nan 0.000 0.429 52 R N 2.385 123.011 120.500 0.211 0.000 2.532 52 R HA 0.542 4.888 4.340 0.010 0.000 0.295 52 R C -0.479 175.850 176.300 0.047 0.000 0.968 52 R CA -0.638 55.530 56.100 0.113 0.000 0.916 52 R CB 1.931 32.259 30.300 0.046 0.000 1.124 52 R HN 0.623 nan 8.270 nan 0.000 0.463 53 S N 2.489 118.208 115.700 0.032 0.000 2.499 53 S HA 0.249 4.725 4.470 0.010 0.000 0.279 53 S C 0.644 175.249 174.600 0.008 0.000 1.219 53 S CA -0.643 57.567 58.200 0.016 0.000 1.062 53 S CB 0.488 63.708 63.200 0.032 0.000 0.978 53 S HN 0.549 nan 8.310 nan 0.000 0.489 54 L N 3.865 125.087 121.223 -0.002 0.000 2.741 54 L HA 0.294 4.640 4.340 0.010 0.000 0.237 54 L C 0.244 177.246 176.870 0.220 0.000 1.178 54 L CA -0.376 54.489 54.840 0.042 0.000 0.973 54 L CB -0.330 41.691 42.059 -0.063 0.000 1.255 54 L HN 0.511 nan 8.230 nan 0.000 0.498 55 N N 1.441 120.216 118.700 0.125 0.000 2.492 55 N HA 0.452 5.199 4.740 0.010 0.000 0.260 55 N C 0.590 176.204 175.510 0.173 0.000 1.215 55 N CA 0.927 54.046 53.050 0.115 0.000 0.923 55 N CB 1.429 39.934 38.487 0.029 0.000 1.092 55 N HN 0.324 nan 8.380 nan 0.000 0.448 56 G N 0.932 109.851 108.800 0.199 0.000 2.347 56 G HA2 -0.044 3.922 3.960 0.010 0.000 0.224 56 G HA3 -0.044 3.922 3.960 0.010 0.000 0.224 56 G C -1.572 173.523 174.900 0.325 0.000 1.318 56 G CA -0.780 44.449 45.100 0.215 0.000 1.016 56 G HN 0.452 nan 8.290 nan 0.000 0.469 57 E N 0.039 120.430 120.200 0.317 0.000 2.194 57 E HA 0.470 4.826 4.350 0.010 0.000 0.284 57 E C -1.055 175.840 176.600 0.492 0.000 1.035 57 E CA -0.221 56.381 56.400 0.336 0.000 0.836 57 E CB 1.136 30.953 29.700 0.195 0.000 1.070 57 E HN 0.352 nan 8.360 nan 0.000 0.401 58 W N 1.626 123.025 121.300 0.164 0.000 2.850 58 W HA 0.403 5.070 4.660 0.010 0.000 0.349 58 W C 0.078 176.737 176.519 0.234 0.000 1.133 58 W CA -0.807 56.667 57.345 0.215 0.000 1.117 58 W CB 0.840 30.477 29.460 0.296 0.000 1.442 58 W HN 0.172 nan 8.180 nan 0.000 0.575 59 R N 1.803 122.579 120.500 0.461 0.000 2.265 59 R HA 0.462 4.808 4.340 0.010 0.000 0.319 59 R C -1.302 175.248 176.300 0.417 0.000 1.006 59 R CA -0.774 55.539 56.100 0.356 0.000 0.880 59 R CB 0.901 31.349 30.300 0.247 0.000 1.077 59 R HN 0.429 nan 8.270 nan 0.000 0.454 60 F N 1.058 121.071 119.950 0.105 0.000 2.532 60 F HA 0.674 5.207 4.527 0.010 0.000 0.321 60 F C -1.183 174.465 175.800 -0.253 0.000 1.089 60 F CA -0.764 57.153 58.000 -0.138 0.000 0.926 60 F CB 1.946 40.782 39.000 -0.272 0.000 1.168 60 F HN 0.587 nan 8.300 nan 0.000 0.459 61 A N 4.677 126.663 122.820 -1.391 0.000 2.427 61 A HA 0.516 4.843 4.320 0.010 0.000 0.298 61 A C -2.332 174.222 177.584 -1.717 0.000 1.036 61 A CA -0.507 50.794 52.037 -1.226 0.000 0.701 61 A CB 0.524 19.116 19.000 -0.680 0.000 1.250 61 A HN 0.938 nan 8.150 nan 0.000 0.412 62 W N 2.685 123.054 121.300 -1.551 0.000 2.438 62 W HA 0.755 5.421 4.660 0.010 0.000 0.324 62 W C -1.754 174.038 176.519 -1.211 0.000 1.119 62 W CA -0.247 56.357 57.345 -1.235 0.000 1.221 62 W CB 1.007 30.051 29.460 -0.694 0.000 1.253 62 W HN 0.488 nan 8.180 nan 0.000 0.555 63 F N 6.009 125.175 119.950 -1.307 0.000 2.588 63 F HA 0.343 4.876 4.527 0.010 0.000 0.310 63 F C -1.319 173.577 175.800 -1.507 0.000 1.082 63 F CA -2.210 55.154 58.000 -1.059 0.000 0.929 63 F CB 1.884 40.462 39.000 -0.704 0.000 1.254 63 F HN 0.201 nan 8.300 nan 0.000 0.455 64 P HA 0.097 nan 4.420 nan 0.000 0.225 64 P C -0.302 176.850 177.300 -0.245 0.000 1.156 64 P CA 0.897 63.725 63.100 -0.453 0.000 0.787 64 P CB 0.735 32.414 31.700 -0.035 0.000 0.802 65 A N -0.573 122.110 122.820 -0.229 0.000 2.612 65 A HA 0.527 4.853 4.320 0.010 0.000 0.293 65 A C -2.372 175.082 177.584 -0.216 0.000 1.075 65 A CA -1.102 50.845 52.037 -0.150 0.000 0.680 65 A CB 0.579 19.552 19.000 -0.044 0.000 1.279 65 A HN -0.280 nan 8.150 nan 0.000 0.411 66 P HA -0.138 nan 4.420 nan 0.000 0.218 66 P C 0.773 177.969 177.300 -0.174 0.000 1.148 66 P CA 1.496 64.443 63.100 -0.255 0.000 0.822 66 P CB 0.288 31.777 31.700 -0.352 0.000 0.784 67 E N 0.213 120.364 120.200 -0.082 0.000 2.204 67 E HA -0.096 4.260 4.350 0.010 0.000 0.195 67 E C 2.161 178.677 176.600 -0.140 0.000 0.990 67 E CA 1.425 57.789 56.400 -0.061 0.000 0.821 67 E CB -0.893 28.808 29.700 0.002 0.000 0.750 67 E HN 0.234 nan 8.360 nan 0.000 0.477 68 A N 0.406 123.107 122.820 -0.197 0.000 2.119 68 A HA 0.027 4.353 4.320 0.010 0.000 0.216 68 A C 0.877 178.138 177.584 -0.539 0.000 1.152 68 A CA 0.032 51.928 52.037 -0.234 0.000 0.708 68 A CB 0.078 19.014 19.000 -0.106 0.000 0.805 68 A HN 0.048 nan 8.150 nan 0.000 0.460 69 V N 3.264 122.734 119.914 -0.740 0.000 2.485 69 V HA 0.136 4.262 4.120 0.010 0.000 0.287 69 V C -2.018 173.713 176.094 -0.606 0.000 1.022 69 V CA -1.163 60.481 62.300 -1.093 0.000 1.067 69 V CB 0.205 31.517 31.823 -0.853 0.000 0.967 69 V HN 0.370 nan 8.190 nan 0.000 0.479 70 P HA 0.233 nan 4.420 nan 0.000 0.276 70 P C 0.329 177.548 177.300 -0.136 0.000 1.235 70 P CA -0.355 62.603 63.100 -0.236 0.000 0.772 70 P CB 1.212 32.829 31.700 -0.138 0.000 0.871 71 E N 1.369 121.505 120.200 -0.107 0.000 2.219 71 E HA -0.199 4.157 4.350 0.010 0.000 0.198 71 E C 1.897 178.454 176.600 -0.073 0.000 0.998 71 E CA 1.997 58.343 56.400 -0.091 0.000 0.818 71 E CB -0.486 29.171 29.700 -0.072 0.000 0.741 71 E HN 0.583 nan 8.360 nan 0.000 0.477 72 S N -0.646 115.033 115.700 -0.036 0.000 2.453 72 S HA -0.170 4.306 4.470 0.010 0.000 0.231 72 S C 1.756 176.353 174.600 -0.004 0.000 1.005 72 S CA 0.522 58.709 58.200 -0.021 0.000 0.949 72 S CB -0.606 62.594 63.200 0.001 0.000 0.774 72 S HN 0.577 nan 8.310 nan 0.000 0.510 73 W N 2.388 123.586 121.300 -0.171 0.000 2.421 73 W HA 0.097 4.763 4.660 0.010 0.000 0.270 73 W C 1.460 177.863 176.519 -0.193 0.000 1.233 73 W CA 0.721 57.968 57.345 -0.163 0.000 1.226 73 W CB -0.249 29.095 29.460 -0.192 0.000 1.121 73 W HN 0.266 nan 8.180 nan 0.000 0.579 74 L N 0.213 121.178 121.223 -0.431 0.000 2.156 74 L HA -0.120 4.226 4.340 0.010 0.000 0.208 74 L C 2.313 178.951 176.870 -0.385 0.000 1.095 74 L CA 1.235 55.693 54.840 -0.637 0.000 0.770 74 L CB -0.683 41.014 42.059 -0.603 0.000 0.914 74 L HN -0.032 nan 8.230 nan 0.000 0.439 75 E N -1.445 118.614 120.200 -0.235 0.000 2.307 75 E HA 0.052 4.408 4.350 0.010 0.000 0.195 75 E C 0.183 176.712 176.600 -0.119 0.000 0.975 75 E CA 0.220 56.538 56.400 -0.137 0.000 0.878 75 E CB 0.876 30.527 29.700 -0.081 0.000 0.845 75 E HN 0.317 nan 8.360 nan 0.000 0.488 76 C N 1.211 120.437 119.300 -0.124 0.000 2.880 76 C HA 0.325 4.792 4.460 0.010 0.000 0.320 76 C C -0.956 174.015 174.990 -0.032 0.000 1.176 76 C CA -1.005 57.974 59.018 -0.064 0.000 1.390 76 C CB 1.260 28.985 27.740 -0.026 0.000 1.846 76 C HN 0.199 nan 8.230 nan 0.000 0.478 77 D N 2.582 122.983 120.400 0.001 0.000 2.443 77 D HA 0.353 4.999 4.640 0.010 0.000 0.239 77 D C -0.279 176.089 176.300 0.114 0.000 1.136 77 D CA 0.315 54.360 54.000 0.075 0.000 0.879 77 D CB 0.669 41.505 40.800 0.061 0.000 1.195 77 D HN 0.564 nan 8.370 nan 0.000 0.443 78 L N 5.251 126.585 121.223 0.184 0.000 2.349 78 L HA 0.268 4.614 4.340 0.010 0.000 0.275 78 L C -1.316 175.609 176.870 0.092 0.000 1.115 78 L CA -1.448 53.477 54.840 0.143 0.000 0.820 78 L CB 1.191 43.350 42.059 0.166 0.000 1.135 78 L HN 0.532 nan 8.230 nan 0.000 0.445 79 P HA -0.082 nan 4.420 nan 0.000 0.220 79 P C 0.765 178.090 177.300 0.042 0.000 1.152 79 P CA 0.818 63.948 63.100 0.049 0.000 0.812 79 P CB 0.301 32.024 31.700 0.039 0.000 0.792 80 E N 0.276 120.496 120.200 0.033 0.000 2.204 80 E HA 0.038 4.395 4.350 0.010 0.000 0.194 80 E C 1.091 177.694 176.600 0.006 0.000 0.989 80 E CA 0.412 56.818 56.400 0.010 0.000 0.824 80 E CB -0.890 28.800 29.700 -0.016 0.000 0.756 80 E HN 0.193 nan 8.360 nan 0.000 0.477 81 A N 1.594 124.421 122.820 0.013 0.000 2.547 81 A HA 0.051 4.378 4.320 0.010 0.000 0.233 81 A C -0.082 177.550 177.584 0.079 0.000 1.067 81 A CA 0.130 52.177 52.037 0.018 0.000 0.763 81 A CB 0.222 19.257 19.000 0.059 0.000 1.007 81 A HN 0.001 nan 8.150 nan 0.000 0.506 82 D N 0.203 120.682 120.400 0.132 0.000 2.340 82 D HA 0.434 5.080 4.640 0.010 0.000 0.240 82 D C -0.784 175.643 176.300 0.211 0.000 1.001 82 D CA -0.160 53.947 54.000 0.178 0.000 0.888 82 D CB 1.455 42.408 40.800 0.255 0.000 1.310 82 D HN 0.390 nan 8.370 nan 0.000 0.474 83 T N 0.751 115.408 114.554 0.172 0.000 2.723 83 T HA 0.415 4.771 4.350 0.010 0.000 0.297 83 T C 0.347 175.152 174.700 0.175 0.000 0.925 83 T CA -0.542 61.668 62.100 0.183 0.000 1.030 83 T CB 0.393 69.341 68.868 0.135 0.000 0.905 83 T HN 0.275 nan 8.240 nan 0.000 0.502 84 V N 1.683 121.741 119.914 0.240 0.000 2.864 84 V HA 0.759 4.885 4.120 0.010 0.000 0.314 84 V C -0.048 176.174 176.094 0.213 0.000 1.073 84 V CA -1.059 61.356 62.300 0.191 0.000 0.956 84 V CB 1.665 33.652 31.823 0.273 0.000 1.023 84 V HN 0.494 nan 8.190 nan 0.000 0.435 85 V N 3.210 123.208 119.914 0.140 0.000 2.614 85 V HA 0.445 4.571 4.120 0.010 0.000 0.291 85 V C 0.106 176.255 176.094 0.091 0.000 1.049 85 V CA 0.056 62.428 62.300 0.119 0.000 1.038 85 V CB 1.260 33.124 31.823 0.069 0.000 0.980 85 V HN 0.770 nan 8.190 nan 0.000 0.481 86 V N 6.995 126.877 119.914 -0.053 0.000 2.638 86 V HA 0.437 4.563 4.120 0.010 0.000 0.306 86 V C -2.276 173.683 176.094 -0.225 0.000 1.052 86 V CA -1.649 60.478 62.300 -0.289 0.000 0.885 86 V CB 2.381 33.661 31.823 -0.904 0.000 0.999 86 V HN 0.751 nan 8.190 nan 0.000 0.424 87 P HA 0.386 nan 4.420 nan 0.000 0.272 87 P C -0.637 176.589 177.300 -0.124 0.000 1.230 87 P CA 0.050 63.019 63.100 -0.219 0.000 0.788 87 P CB 1.352 32.949 31.700 -0.173 0.000 0.949 88 S N 0.200 115.837 115.700 -0.104 0.000 2.611 88 S HA 0.379 4.855 4.470 0.010 0.000 0.270 88 S C -1.349 173.187 174.600 -0.107 0.000 1.131 88 S CA -1.065 57.088 58.200 -0.079 0.000 0.826 88 S CB 0.283 63.449 63.200 -0.057 0.000 1.095 88 S HN 0.397 nan 8.310 nan 0.000 0.461 89 N N 1.089 119.673 118.700 -0.194 0.000 2.408 89 N HA 0.434 5.180 4.740 0.010 0.000 0.280 89 N C 0.364 175.664 175.510 -0.351 0.000 1.002 89 N CA -0.840 52.051 53.050 -0.265 0.000 0.907 89 N CB 0.687 38.998 38.487 -0.294 0.000 1.161 89 N HN 0.863 nan 8.380 nan 0.000 0.488 90 W N 2.405 123.526 121.300 -0.299 0.000 2.611 90 W HA -0.004 4.662 4.660 0.011 0.000 0.251 90 W C 0.872 177.322 176.519 -0.115 0.000 1.265 90 W CA 0.518 57.648 57.345 -0.358 0.000 1.295 90 W CB -0.329 28.873 29.460 -0.431 0.000 1.129 90 W HN 0.501 nan 8.180 nan 0.000 0.630 91 Q N 0.549 120.254 119.800 -0.159 0.000 2.167 91 Q HA -0.123 4.223 4.340 0.010 0.000 0.202 91 Q C 2.206 178.130 176.000 -0.127 0.000 0.970 91 Q CA 1.977 57.706 55.803 -0.124 0.000 0.855 91 Q CB -0.544 28.015 28.738 -0.299 0.000 0.911 91 Q HN 0.253 nan 8.270 nan 0.000 0.438 92 M N -0.739 118.755 119.600 -0.177 0.000 2.476 92 M HA -0.066 4.421 4.480 0.010 0.000 0.262 92 M C 0.849 177.214 176.300 0.109 0.000 1.079 92 M CA 1.466 56.712 55.300 -0.091 0.000 1.104 92 M CB -0.700 31.845 32.600 -0.092 0.000 1.409 92 M HN 0.398 nan 8.290 nan 0.000 0.467 93 H N -0.731 118.352 119.070 0.022 0.000 2.553 93 H HA 0.294 4.857 4.556 0.010 0.000 0.265 93 H C 1.130 176.341 175.328 -0.196 0.000 0.964 93 H CA 0.093 56.132 56.048 -0.016 0.000 1.156 93 H CB 0.355 30.205 29.762 0.146 0.000 1.411 93 H HN 0.556 nan 8.280 nan 0.000 0.558 94 G N 0.527 109.315 108.800 -0.020 0.000 2.142 94 G HA2 -0.319 3.647 3.960 0.010 0.000 0.225 94 G HA3 -0.319 3.647 3.960 0.010 0.000 0.225 94 G C 0.110 174.863 174.900 -0.245 0.000 1.015 94 G CA 0.088 45.112 45.100 -0.126 0.000 0.716 94 G HN 0.426 nan 8.290 nan 0.000 0.508 95 Y N 1.209 121.510 120.300 0.002 0.000 2.243 95 Y HA 0.275 4.831 4.550 0.010 0.000 0.293 95 Y C 1.725 177.361 175.900 -0.440 0.000 1.124 95 Y CA 1.612 59.592 58.100 -0.201 0.000 1.159 95 Y CB 0.268 38.703 38.460 -0.042 0.000 1.008 95 Y HN 0.642 nan 8.280 nan 0.000 0.527 96 D N -1.782 118.674 120.400 0.095 0.000 2.752 96 D HA 0.527 5.173 4.640 0.010 0.000 0.313 96 D C -1.136 175.223 176.300 0.099 0.000 1.225 96 D CA -0.988 53.053 54.000 0.068 0.000 0.976 96 D CB 0.795 41.775 40.800 0.299 0.000 1.443 96 D HN -0.034 nan 8.370 nan 0.000 0.515 97 A N 0.228 123.121 122.820 0.121 0.000 2.320 97 A HA 0.601 4.927 4.320 0.010 0.000 0.287 97 A C -2.240 175.377 177.584 0.055 0.000 1.181 97 A CA -1.228 50.871 52.037 0.102 0.000 0.831 97 A CB -0.076 19.037 19.000 0.189 0.000 1.102 97 A HN 0.512 nan 8.150 nan 0.000 0.513 98 P HA 0.255 nan 4.420 nan 0.000 0.271 98 P C -0.798 176.683 177.300 0.303 0.000 1.220 98 P CA 0.381 63.421 63.100 -0.099 0.000 0.768 98 P CB 0.585 31.904 31.700 -0.635 0.000 0.848 99 I N 3.953 124.778 120.570 0.425 0.000 2.354 99 I HA 0.241 4.418 4.170 0.010 0.000 0.292 99 I C -0.124 176.186 176.117 0.321 0.000 0.989 99 I CA -1.003 60.541 61.300 0.407 0.000 1.188 99 I CB 1.054 39.228 38.000 0.289 0.000 1.342 99 I HN 0.310 nan 8.210 nan 0.000 0.457 100 Y N 6.294 126.523 120.300 -0.119 0.000 2.342 100 Y HA 0.519 5.075 4.550 0.010 0.000 0.338 100 Y C -0.234 175.520 175.900 -0.243 0.000 0.965 100 Y CA -0.393 57.379 58.100 -0.546 0.000 1.159 100 Y CB 1.305 38.986 38.460 -1.298 0.000 1.157 100 Y HN 0.538 nan 8.280 nan 0.000 0.486 101 T N 5.377 119.396 114.554 -0.893 0.000 2.916 101 T HA 0.223 4.579 4.350 0.010 0.000 0.298 101 T C 0.252 174.440 174.700 -0.854 0.000 1.031 101 T CA -0.631 60.985 62.100 -0.806 0.000 0.993 101 T CB 1.093 69.737 68.868 -0.375 0.000 1.045 101 T HN 0.805 nan 8.240 nan 0.000 0.454 102 N N 2.915 121.169 118.700 -0.743 0.000 2.124 102 N HA 0.008 4.755 4.740 0.010 0.000 0.189 102 N C 1.413 176.729 175.510 -0.323 0.000 1.050 102 N CA 1.968 54.740 53.050 -0.464 0.000 0.848 102 N CB -0.317 37.918 38.487 -0.421 0.000 1.027 102 N HN 0.426 nan 8.380 nan 0.000 0.435 103 V N -0.626 119.051 119.914 -0.396 0.000 2.854 103 V HA 0.190 4.316 4.120 0.010 0.000 0.236 103 V C 0.376 176.196 176.094 -0.457 0.000 1.157 103 V CA 0.530 62.541 62.300 -0.482 0.000 1.187 103 V CB -0.655 30.752 31.823 -0.693 0.000 0.949 103 V HN 0.207 nan 8.190 nan 0.000 0.488 104 T N 1.437 115.772 114.554 -0.364 0.000 2.908 104 T HA 0.139 4.495 4.350 0.010 0.000 0.301 104 T C -0.380 174.175 174.700 -0.242 0.000 1.019 104 T CA 0.353 62.304 62.100 -0.248 0.000 1.152 104 T CB -0.222 68.534 68.868 -0.187 0.000 0.966 104 T HN 0.171 nan 8.240 nan 0.000 0.540 105 Y N 4.611 124.794 120.300 -0.195 0.000 2.597 105 Y HA 0.110 4.666 4.550 0.010 0.000 0.336 105 Y C -0.723 175.031 175.900 -0.243 0.000 1.216 105 Y CA -1.632 56.337 58.100 -0.219 0.000 1.463 105 Y CB 0.410 38.721 38.460 -0.248 0.000 1.303 105 Y HN 0.521 nan 8.280 nan 0.000 0.576 106 P HA -0.041 nan 4.420 nan 0.000 0.242 106 P C -0.350 176.726 177.300 -0.373 0.000 1.197 106 P CA 1.137 64.117 63.100 -0.201 0.000 0.765 106 P CB -0.076 31.542 31.700 -0.138 0.000 0.936 107 I N -5.427 114.900 120.570 -0.406 0.000 3.145 107 I HA 0.481 4.658 4.170 0.010 0.000 0.313 107 I C -0.577 175.405 176.117 -0.226 0.000 1.122 107 I CA -1.322 59.719 61.300 -0.432 0.000 0.987 107 I CB 1.518 39.103 38.000 -0.692 0.000 1.236 107 I HN -0.479 nan 8.210 nan 0.000 0.453 108 T N 2.573 117.035 114.554 -0.153 0.000 2.853 108 T HA 0.184 4.541 4.350 0.010 0.000 0.298 108 T C 0.218 174.884 174.700 -0.056 0.000 0.978 108 T CA -0.309 61.748 62.100 -0.072 0.000 1.152 108 T CB 0.551 69.404 68.868 -0.025 0.000 0.914 108 T HN 0.377 nan 8.240 nan 0.000 0.539 109 V N 5.073 124.959 119.914 -0.047 0.000 2.377 109 V HA 0.169 4.295 4.120 0.010 0.000 0.254 109 V C 0.794 176.929 176.094 0.069 0.000 1.060 109 V CA -0.140 62.147 62.300 -0.022 0.000 1.068 109 V CB -0.703 31.081 31.823 -0.064 0.000 1.113 109 V HN 0.831 nan 8.190 nan 0.000 0.484 110 N N 6.123 124.938 118.700 0.192 0.000 2.673 110 N HA 0.249 4.995 4.740 0.010 0.000 0.265 110 N C -2.861 172.765 175.510 0.193 0.000 1.709 110 N CA -1.482 51.679 53.050 0.185 0.000 0.792 110 N CB 1.520 40.124 38.487 0.196 0.000 1.286 110 N HN 0.266 nan 8.380 nan 0.000 0.506 111 P HA 0.175 nan 4.420 nan 0.000 0.266 111 P C -2.190 174.965 177.300 -0.242 0.000 1.195 111 P CA -0.627 62.141 63.100 -0.553 0.000 0.768 111 P CB 0.585 31.904 31.700 -0.635 0.000 0.838 112 P HA 0.214 nan 4.420 nan 0.000 0.263 112 P C -0.409 176.786 177.300 -0.176 0.000 1.448 112 P CA -0.260 62.599 63.100 -0.401 0.000 0.983 112 P CB -0.025 31.432 31.700 -0.405 0.000 1.481 113 F N 1.256 121.291 119.950 0.142 0.000 2.429 113 F HA 0.254 4.788 4.527 0.010 0.000 0.348 113 F C 1.326 177.303 175.800 0.296 0.000 1.109 113 F CA -0.671 57.446 58.000 0.195 0.000 1.232 113 F CB 0.620 39.685 39.000 0.108 0.000 1.157 113 F HN -0.209 nan 8.300 nan 0.000 0.564 114 V N 0.152 120.344 119.914 0.465 0.000 3.019 114 V HA 0.701 4.827 4.120 0.010 0.000 0.317 114 V C -2.683 173.583 176.094 0.288 0.000 1.094 114 V CA -3.061 59.438 62.300 0.332 0.000 1.000 114 V CB 1.334 33.407 31.823 0.417 0.000 1.060 114 V HN 0.479 nan 8.190 nan 0.000 0.443 115 P HA 0.141 nan 4.420 nan 0.000 0.265 115 P C 1.134 178.577 177.300 0.239 0.000 1.187 115 P CA 0.606 63.811 63.100 0.176 0.000 0.766 115 P CB 0.492 32.278 31.700 0.143 0.000 0.820 116 T N -1.282 113.386 114.554 0.190 0.000 2.915 116 T HA -0.113 4.243 4.350 0.010 0.000 0.269 116 T C 0.596 175.397 174.700 0.167 0.000 1.071 116 T CA 0.867 63.080 62.100 0.188 0.000 1.132 116 T CB -0.506 68.443 68.868 0.135 0.000 0.878 116 T HN 0.392 nan 8.240 nan 0.000 0.479 117 E N 2.611 122.911 120.200 0.168 0.000 1.865 117 E HA 0.181 4.537 4.350 0.010 0.000 0.269 117 E C -0.673 176.073 176.600 0.243 0.000 1.177 117 E CA -0.335 56.168 56.400 0.171 0.000 0.932 117 E CB 0.033 29.838 29.700 0.175 0.000 1.066 117 E HN 0.235 nan 8.360 nan 0.000 0.405 118 N N 4.097 122.904 118.700 0.178 0.000 2.564 118 N HA 0.225 4.972 4.740 0.010 0.000 0.248 118 N C -2.790 172.723 175.510 0.005 0.000 0.986 118 N CA -2.432 50.738 53.050 0.201 0.000 0.921 118 N CB 1.208 39.791 38.487 0.159 0.000 1.136 118 N HN 0.026 nan 8.380 nan 0.000 0.509 119 P HA -0.010 nan 4.420 nan 0.000 0.256 119 P C -0.825 176.379 177.300 -0.160 0.000 1.173 119 P CA 0.596 63.659 63.100 -0.061 0.000 0.768 119 P CB 0.247 32.210 31.700 0.438 0.000 0.758 120 T N 3.136 117.321 114.554 -0.615 0.000 2.779 120 T HA 0.541 4.897 4.350 0.010 0.000 0.280 120 T C 0.461 174.614 174.700 -0.911 0.000 0.987 120 T CA -0.539 61.246 62.100 -0.524 0.000 0.966 120 T CB 1.434 70.043 68.868 -0.432 0.000 0.933 120 T HN 0.301 nan 8.240 nan 0.000 0.442 121 G N 1.059 109.369 108.800 -0.818 0.000 2.347 121 G HA2 0.460 4.426 3.960 0.010 0.000 0.314 121 G HA3 0.460 4.426 3.960 0.010 0.000 0.314 121 G C -0.273 174.307 174.900 -0.533 0.000 1.126 121 G CA -0.374 44.142 45.100 -0.974 0.000 0.929 121 G HN 0.855 nan 8.290 nan 0.000 0.441 122 C N 3.612 122.353 119.300 -0.931 0.000 2.176 122 C HA 0.416 4.882 4.460 0.010 0.000 0.329 122 C C -0.367 174.472 174.990 -0.252 0.000 1.113 122 C CA -1.016 57.592 59.018 -0.684 0.000 1.562 122 C CB -1.901 25.063 27.740 -1.295 0.000 2.040 122 C HN 0.633 nan 8.230 nan 0.000 0.460 123 Y N 2.022 122.561 120.300 0.398 0.000 2.320 123 Y HA 0.576 5.133 4.550 0.010 0.000 0.324 123 Y C 0.964 177.320 175.900 0.761 0.000 1.190 123 Y CA 0.016 58.507 58.100 0.652 0.000 1.215 123 Y CB 1.148 40.013 38.460 0.675 0.000 1.221 123 Y HN 0.654 nan 8.280 nan 0.000 0.486 124 S N 2.077 118.252 115.700 0.791 0.000 2.607 124 S HA 0.821 5.297 4.470 0.010 0.000 0.273 124 S C -1.825 172.796 174.600 0.035 0.000 1.148 124 S CA -0.872 57.560 58.200 0.388 0.000 0.833 124 S CB 2.191 65.562 63.200 0.284 0.000 1.130 124 S HN 0.624 nan 8.310 nan 0.000 0.470 125 L N 0.775 121.840 121.223 -0.263 0.000 2.588 125 L HA 0.608 4.954 4.340 0.010 0.000 0.263 125 L C -1.179 175.615 176.870 -0.127 0.000 0.935 125 L CA 0.088 54.635 54.840 -0.487 0.000 0.891 125 L CB 2.201 43.430 42.059 -1.384 0.000 1.318 125 L HN 0.889 nan 8.230 nan 0.000 0.409 126 T N 5.945 120.467 114.554 -0.053 0.000 2.738 126 T HA 0.626 4.983 4.350 0.010 0.000 0.298 126 T C -0.604 174.136 174.700 0.067 0.000 0.962 126 T CA 0.055 62.163 62.100 0.014 0.000 0.972 126 T CB -0.132 68.718 68.868 -0.030 0.000 0.928 126 T HN 0.411 nan 8.240 nan 0.000 0.474 127 F N 1.142 120.998 119.950 -0.156 0.000 2.640 127 F HA 0.668 5.201 4.527 0.010 0.000 0.324 127 F C -0.632 175.093 175.800 -0.125 0.000 1.077 127 F CA -1.662 56.249 58.000 -0.148 0.000 0.965 127 F CB 1.346 40.239 39.000 -0.179 0.000 1.351 127 F HN 0.242 nan 8.300 nan 0.000 0.487 128 N N 0.627 119.240 118.700 -0.145 0.000 2.405 128 N HA 0.615 5.361 4.740 0.010 0.000 0.299 128 N C -1.910 173.449 175.510 -0.250 0.000 1.075 128 N CA -0.324 52.582 53.050 -0.241 0.000 0.884 128 N CB 2.251 40.657 38.487 -0.134 0.000 1.194 128 N HN 0.546 nan 8.380 nan 0.000 0.491 129 V N 2.343 122.079 119.914 -0.297 0.000 2.444 129 V HA 0.197 4.323 4.120 0.010 0.000 0.294 129 V C -0.507 175.458 176.094 -0.215 0.000 1.022 129 V CA -1.015 61.113 62.300 -0.287 0.000 0.850 129 V CB 1.694 33.395 31.823 -0.203 0.000 0.992 129 V HN 0.587 nan 8.190 nan 0.000 0.426 130 D N 2.588 122.823 120.400 -0.274 0.000 2.443 130 D HA 0.059 4.705 4.640 0.010 0.000 0.239 130 D C 1.118 177.433 176.300 0.025 0.000 1.136 130 D CA 0.140 54.080 54.000 -0.101 0.000 0.879 130 D CB 1.227 41.999 40.800 -0.047 0.000 1.195 130 D HN 0.766 nan 8.370 nan 0.000 0.443 131 E N 1.156 121.377 120.200 0.035 0.000 2.070 131 E HA -0.243 4.113 4.350 0.010 0.000 0.197 131 E C 1.676 178.341 176.600 0.107 0.000 1.004 131 E CA 2.100 58.534 56.400 0.057 0.000 0.805 131 E CB -0.047 29.673 29.700 0.033 0.000 0.744 131 E HN 0.459 nan 8.360 nan 0.000 0.451 132 S N -0.808 114.968 115.700 0.127 0.000 2.402 132 S HA -0.206 4.270 4.470 0.010 0.000 0.233 132 S C 1.788 176.446 174.600 0.096 0.000 1.030 132 S CA 1.226 59.489 58.200 0.106 0.000 1.003 132 S CB -0.904 62.353 63.200 0.096 0.000 0.813 132 S HN 0.435 nan 8.310 nan 0.000 0.477 133 W N 1.538 122.769 121.300 -0.114 0.000 2.436 133 W HA 0.335 5.001 4.660 0.010 0.000 0.284 133 W C 1.992 178.577 176.519 0.110 0.000 1.225 133 W CA 0.043 57.329 57.345 -0.099 0.000 1.271 133 W CB -0.473 28.997 29.460 0.018 0.000 1.114 133 W HN 0.293 nan 8.180 nan 0.000 0.559 134 L N -0.686 120.707 121.223 0.283 0.000 2.513 134 L HA 0.060 4.407 4.340 0.010 0.000 0.222 134 L C 2.125 179.077 176.870 0.136 0.000 1.096 134 L CA 0.444 55.404 54.840 0.201 0.000 0.857 134 L CB -0.495 41.650 42.059 0.143 0.000 1.026 134 L HN -0.056 nan 8.230 nan 0.000 0.469 135 Q N 0.646 120.514 119.800 0.114 0.000 2.245 135 Q HA -0.052 4.294 4.340 0.010 0.000 0.201 135 Q C 0.200 176.246 176.000 0.076 0.000 0.955 135 Q CA 0.753 56.601 55.803 0.075 0.000 0.870 135 Q CB 0.430 29.199 28.738 0.052 0.000 0.945 135 Q HN 0.564 nan 8.270 nan 0.000 0.461 136 E N -1.890 118.378 120.200 0.112 0.000 2.413 136 E HA 0.527 4.883 4.350 0.010 0.000 0.277 136 E C -0.052 176.674 176.600 0.210 0.000 0.958 136 E CA -0.562 55.907 56.400 0.116 0.000 0.779 136 E CB 1.598 31.344 29.700 0.075 0.000 1.278 136 E HN 0.062 nan 8.360 nan 0.000 0.456 137 G N 1.095 109.947 108.800 0.087 0.000 2.569 137 G HA2 -0.311 3.655 3.960 0.010 0.000 0.259 137 G HA3 -0.311 3.655 3.960 0.010 0.000 0.259 137 G C -0.656 174.154 174.900 -0.149 0.000 1.263 137 G CA 0.280 45.340 45.100 -0.066 0.000 0.928 137 G HN 0.769 nan 8.290 nan 0.000 0.572 138 Q N -0.406 119.136 119.800 -0.430 0.000 2.337 138 Q HA 0.615 4.961 4.340 0.010 0.000 0.270 138 Q C -1.151 174.683 176.000 -0.277 0.000 1.043 138 Q CA -0.422 55.236 55.803 -0.242 0.000 0.794 138 Q CB 1.582 30.219 28.738 -0.169 0.000 1.281 138 Q HN 0.618 nan 8.270 nan 0.000 0.446 139 T N 4.779 119.354 114.554 0.035 0.000 2.772 139 T HA 0.481 4.837 4.350 0.010 0.000 0.288 139 T C -0.628 174.197 174.700 0.208 0.000 0.994 139 T CA -0.635 61.604 62.100 0.232 0.000 0.951 139 T CB 0.495 69.640 68.868 0.463 0.000 0.933 139 T HN 0.620 nan 8.240 nan 0.000 0.447 140 R N 2.740 123.352 120.500 0.187 0.000 2.854 140 R HA 0.805 5.151 4.340 0.010 0.000 0.271 140 R C -1.186 175.204 176.300 0.150 0.000 0.996 140 R CA -1.030 55.165 56.100 0.158 0.000 0.961 140 R CB 1.546 31.911 30.300 0.110 0.000 1.182 140 R HN 0.544 nan 8.270 nan 0.000 0.479 141 I N 2.499 123.145 120.570 0.127 0.000 2.433 141 I HA 0.417 4.593 4.170 0.010 0.000 0.292 141 I C -1.117 175.000 176.117 0.001 0.000 1.001 141 I CA -1.273 60.034 61.300 0.012 0.000 1.119 141 I CB 1.412 39.386 38.000 -0.042 0.000 1.289 141 I HN 0.614 nan 8.210 nan 0.000 0.438 142 I N 7.584 128.072 120.570 -0.136 0.000 2.362 142 I HA 0.285 4.461 4.170 0.010 0.000 0.289 142 I C -1.118 174.838 176.117 -0.268 0.000 0.994 142 I CA -0.382 60.859 61.300 -0.098 0.000 1.158 142 I CB 1.223 39.192 38.000 -0.052 0.000 1.315 142 I HN 0.419 nan 8.210 nan 0.000 0.451 143 F N 4.746 124.691 119.950 -0.008 0.000 2.293 143 F HA 0.244 4.777 4.527 0.010 0.000 0.370 143 F C 1.265 176.965 175.800 -0.167 0.000 1.090 143 F CA -0.424 57.505 58.000 -0.119 0.000 1.133 143 F CB 0.694 39.593 39.000 -0.170 0.000 1.360 143 F HN 0.474 nan 8.300 nan 0.000 0.489 144 D N 2.314 122.652 120.400 -0.102 0.000 2.218 144 D HA 0.008 4.655 4.640 0.010 0.000 0.204 144 D C 1.070 177.211 176.300 -0.265 0.000 0.976 144 D CA 0.973 54.859 54.000 -0.190 0.000 0.853 144 D CB 0.338 40.972 40.800 -0.276 0.000 0.939 144 D HN 0.593 nan 8.370 nan 0.000 0.481 145 G N -0.413 108.163 108.800 -0.374 0.000 2.413 145 G HA2 0.456 4.423 3.960 0.010 0.000 0.285 145 G HA3 0.456 4.423 3.960 0.010 0.000 0.285 145 G C -1.390 173.235 174.900 -0.459 0.000 1.337 145 G CA -0.409 44.322 45.100 -0.614 0.000 1.324 145 G HN -0.055 nan 8.290 nan 0.000 0.611 146 V N 2.206 122.059 119.914 -0.102 0.000 2.525 146 V HA 0.521 4.647 4.120 0.010 0.000 0.299 146 V C -0.800 175.398 176.094 0.173 0.000 1.034 146 V CA -1.193 61.075 62.300 -0.052 0.000 0.863 146 V CB 1.930 33.487 31.823 -0.443 0.000 0.999 146 V HN 0.659 nan 8.190 nan 0.000 0.423 147 N N 2.370 121.175 118.700 0.174 0.000 2.446 147 N HA 0.368 5.114 4.740 0.010 0.000 0.265 147 N C 0.655 176.154 175.510 -0.018 0.000 0.975 147 N CA 0.159 53.241 53.050 0.053 0.000 0.928 147 N CB 2.142 40.529 38.487 -0.166 0.000 1.160 147 N HN 0.700 nan 8.380 nan 0.000 0.495 148 S N 1.810 117.533 115.700 0.038 0.000 2.524 148 S HA 0.539 5.015 4.470 0.010 0.000 0.222 148 S C 0.445 175.140 174.600 0.158 0.000 1.040 148 S CA -0.005 58.259 58.200 0.107 0.000 0.915 148 S CB 0.376 63.656 63.200 0.133 0.000 0.831 148 S HN 0.586 nan 8.310 nan 0.000 0.492 149 A N 1.033 123.960 122.820 0.179 0.000 2.556 149 A HA 0.806 5.132 4.320 0.010 0.000 0.294 149 A C -1.296 176.420 177.584 0.221 0.000 1.091 149 A CA -0.959 51.148 52.037 0.116 0.000 0.704 149 A CB 1.170 20.276 19.000 0.177 0.000 1.300 149 A HN 0.999 nan 8.150 nan 0.000 0.406 150 F N -0.345 119.485 119.950 -0.201 0.000 2.665 150 F HA 0.673 5.206 4.527 0.010 0.000 0.308 150 F C -1.083 174.677 175.800 -0.067 0.000 1.112 150 F CA -0.721 57.252 58.000 -0.044 0.000 0.972 150 F CB 1.025 39.975 39.000 -0.083 0.000 1.295 150 F HN 0.620 nan 8.300 nan 0.000 0.440 151 H N 2.508 121.747 119.070 0.282 0.000 2.472 151 H HA 0.686 5.249 4.556 0.010 0.000 0.335 151 H C -1.280 174.076 175.328 0.048 0.000 1.136 151 H CA -0.614 55.481 56.048 0.078 0.000 1.264 151 H CB 2.430 32.245 29.762 0.088 0.000 1.486 151 H HN 0.794 nan 8.280 nan 0.000 0.517 152 L N 3.218 124.292 121.223 -0.248 0.000 2.381 152 L HA 0.349 4.695 4.340 0.010 0.000 0.274 152 L C -1.534 175.081 176.870 -0.424 0.000 0.988 152 L CA -0.516 54.218 54.840 -0.177 0.000 0.824 152 L CB 1.200 43.057 42.059 -0.336 0.000 1.263 152 L HN 0.506 nan 8.230 nan 0.000 0.410 153 W N 4.438 125.717 121.300 -0.035 0.000 2.706 153 W HA 0.631 5.298 4.660 0.011 0.000 0.346 153 W C -0.905 175.547 176.519 -0.112 0.000 1.071 153 W CA -0.794 56.507 57.345 -0.074 0.000 1.206 153 W CB 2.046 31.487 29.460 -0.033 0.000 1.413 153 W HN 0.612 nan 8.180 nan 0.000 0.542 154 C N 4.538 123.898 119.300 0.100 0.000 2.481 154 C HA 0.274 4.740 4.460 0.010 0.000 0.324 154 C C 0.282 175.382 174.990 0.183 0.000 1.170 154 C CA -0.413 58.665 59.018 0.099 0.000 1.361 154 C CB -0.347 27.389 27.740 -0.007 0.000 1.977 154 C HN 0.825 nan 8.230 nan 0.000 0.459 155 N N 3.452 122.226 118.700 0.123 0.000 2.708 155 N HA -0.198 4.548 4.740 0.010 0.000 0.249 155 N C 1.015 176.584 175.510 0.099 0.000 1.097 155 N CA 2.184 55.286 53.050 0.086 0.000 0.710 155 N CB -1.289 37.254 38.487 0.094 0.000 1.032 155 N HN 1.862 nan 8.380 nan 0.000 0.551 156 G N -1.287 107.571 108.800 0.097 0.000 2.241 156 G HA2 -0.359 3.607 3.960 0.010 0.000 0.244 156 G HA3 -0.359 3.607 3.960 0.010 0.000 0.244 156 G C 0.168 175.236 174.900 0.280 0.000 0.998 156 G CA 0.477 45.635 45.100 0.097 0.000 0.621 156 G HN 0.526 nan 8.290 nan 0.000 0.519 157 R N -0.576 120.139 120.500 0.359 0.000 2.349 157 R HA 0.433 4.779 4.340 0.010 0.000 0.299 157 R C -0.027 176.573 176.300 0.499 0.000 1.027 157 R CA -0.769 55.616 56.100 0.475 0.000 0.958 157 R CB 0.821 31.425 30.300 0.506 0.000 1.047 157 R HN 0.286 nan 8.270 nan 0.000 0.468 158 W N 3.825 125.282 121.300 0.261 0.000 2.210 158 W HA 0.088 4.754 4.660 0.010 0.000 0.330 158 W C -0.066 176.348 176.519 -0.174 0.000 1.334 158 W CA -0.034 57.182 57.345 -0.214 0.000 1.227 158 W CB 0.648 29.960 29.460 -0.246 0.000 1.178 158 W HN 0.319 nan 8.180 nan 0.000 0.560 159 V N 5.201 124.351 119.914 -1.273 0.000 2.743 159 V HA 0.558 4.684 4.120 0.010 0.000 0.237 159 V C 1.048 176.126 176.094 -1.693 0.000 1.113 159 V CA 0.982 62.481 62.300 -1.336 0.000 1.141 159 V CB -0.368 30.747 31.823 -1.180 0.000 0.873 159 V HN 0.867 nan 8.190 nan 0.000 0.486 160 G N -1.771 105.906 108.800 -1.871 0.000 2.341 160 G HA2 0.449 4.416 3.960 0.010 0.000 0.299 160 G HA3 0.449 4.416 3.960 0.010 0.000 0.299 160 G C -2.358 172.211 174.900 -0.551 0.000 1.274 160 G CA -0.170 44.226 45.100 -1.173 0.000 0.853 160 G HN 0.068 nan 8.290 nan 0.000 0.493 161 Y N -0.611 119.482 120.300 -0.345 0.000 2.588 161 Y HA 0.692 5.248 4.550 0.010 0.000 0.343 161 Y C -0.107 175.601 175.900 -0.320 0.000 1.065 161 Y CA 0.047 57.852 58.100 -0.491 0.000 1.038 161 Y CB 2.315 40.522 38.460 -0.422 0.000 1.297 161 Y HN 1.358 nan 8.280 nan 0.000 0.467 162 G N 3.285 111.302 108.800 -1.306 0.000 2.732 162 G HA2 0.520 4.486 3.960 0.010 0.000 0.296 162 G HA3 0.520 4.486 3.960 0.010 0.000 0.296 162 G C -2.257 172.207 174.900 -0.727 0.000 1.448 162 G CA -0.847 43.790 45.100 -0.771 0.000 0.911 162 G HN 0.647 nan 8.290 nan 0.000 0.528 163 Q N -0.347 119.274 119.800 -0.299 0.000 2.814 163 Q HA 0.630 4.976 4.340 0.010 0.000 0.283 163 Q C -1.199 174.815 176.000 0.023 0.000 1.071 163 Q CA -0.799 54.949 55.803 -0.092 0.000 0.849 163 Q CB 2.295 31.034 28.738 0.002 0.000 1.437 163 Q HN 0.651 nan 8.270 nan 0.000 0.492 164 D N -0.320 120.131 120.400 0.085 0.000 4.535 164 D HA -0.098 4.548 4.640 0.010 0.000 0.236 164 D C -0.519 175.858 176.300 0.128 0.000 1.142 164 D CA 0.482 54.547 54.000 0.107 0.000 1.102 164 D CB -0.613 40.232 40.800 0.075 0.000 0.703 164 D HN 0.537 nan 8.370 nan 0.000 0.331 165 S N 3.293 119.086 115.700 0.154 0.000 2.547 165 S HA -0.073 4.403 4.470 0.010 0.000 0.235 165 S C 1.532 176.291 174.600 0.265 0.000 0.980 165 S CA 0.555 58.880 58.200 0.209 0.000 0.941 165 S CB 0.275 63.565 63.200 0.148 0.000 0.763 165 S HN 0.475 nan 8.310 nan 0.000 0.532 166 R N 0.035 120.641 120.500 0.176 0.000 2.565 166 R HA 0.439 4.785 4.340 0.010 0.000 0.347 166 R C -0.517 175.845 176.300 0.104 0.000 1.010 166 R CA 0.047 56.248 56.100 0.168 0.000 1.126 166 R CB 0.251 30.663 30.300 0.187 0.000 1.331 166 R HN 0.317 nan 8.270 nan 0.000 0.552 167 L N 1.750 123.007 121.223 0.056 0.000 2.388 167 L HA 0.490 4.837 4.340 0.010 0.000 0.264 167 L C -2.383 174.468 176.870 -0.032 0.000 0.998 167 L CA -2.288 52.554 54.840 0.003 0.000 0.817 167 L CB 3.023 45.082 42.059 -0.001 0.000 1.338 167 L HN -0.214 nan 8.230 nan 0.000 0.414 168 P HA 0.039 nan 4.420 nan 0.000 0.265 168 P C -0.898 176.372 177.300 -0.049 0.000 1.193 168 P CA 0.003 63.057 63.100 -0.077 0.000 0.765 168 P CB 0.834 32.448 31.700 -0.143 0.000 0.823 169 S N 2.364 118.098 115.700 0.056 0.000 2.437 169 S HA 0.327 4.803 4.470 0.010 0.000 0.305 169 S C -0.299 174.295 174.600 -0.011 0.000 1.109 169 S CA -0.597 57.620 58.200 0.028 0.000 1.099 169 S CB 0.933 64.325 63.200 0.320 0.000 1.004 169 S HN 0.374 nan 8.310 nan 0.000 0.475 170 E N 1.926 121.908 120.200 -0.363 0.000 2.248 170 E HA 0.544 4.900 4.350 0.010 0.000 0.267 170 E C -1.512 174.749 176.600 -0.565 0.000 0.877 170 E CA -0.519 55.733 56.400 -0.247 0.000 0.759 170 E CB 1.827 31.478 29.700 -0.082 0.000 1.182 170 E HN 0.421 nan 8.360 nan 0.000 0.418 171 F N 0.688 120.686 119.950 0.081 0.000 2.578 171 F HA 0.204 4.737 4.527 0.011 0.000 0.311 171 F C -0.081 175.741 175.800 0.036 0.000 1.094 171 F CA -1.076 56.941 58.000 0.028 0.000 0.923 171 F CB 1.753 40.746 39.000 -0.012 0.000 1.230 171 F HN 0.287 nan 8.300 nan 0.000 0.450 172 D N 2.794 123.324 120.400 0.216 0.000 2.312 172 D HA 0.289 4.935 4.640 0.010 0.000 0.252 172 D C 0.146 176.587 176.300 0.236 0.000 1.150 172 D CA 0.314 54.424 54.000 0.184 0.000 0.870 172 D CB 1.136 42.024 40.800 0.147 0.000 1.153 172 D HN 0.577 nan 8.370 nan 0.000 0.457 173 L N 2.621 123.991 121.223 0.243 0.000 2.858 173 L HA 0.053 4.400 4.340 0.010 0.000 0.251 173 L C 1.987 179.073 176.870 0.360 0.000 1.149 173 L CA -0.110 54.917 54.840 0.312 0.000 0.955 173 L CB 0.235 42.430 42.059 0.226 0.000 1.289 173 L HN 0.280 nan 8.230 nan 0.000 0.542 174 S N 1.346 117.206 115.700 0.267 0.000 2.359 174 S HA -0.246 4.230 4.470 0.010 0.000 0.223 174 S C 2.032 176.727 174.600 0.158 0.000 1.039 174 S CA 1.724 60.043 58.200 0.197 0.000 1.042 174 S CB -0.199 63.080 63.200 0.132 0.000 0.915 174 S HN 0.519 nan 8.310 nan 0.000 0.439 175 A N -0.421 122.468 122.820 0.116 0.000 2.239 175 A HA 0.246 4.572 4.320 0.010 0.000 0.209 175 A C 1.408 178.862 177.584 -0.216 0.000 1.171 175 A CA 0.587 52.577 52.037 -0.078 0.000 0.768 175 A CB -0.562 18.322 19.000 -0.192 0.000 0.790 175 A HN 0.480 nan 8.150 nan 0.000 0.478 176 F N -0.867 119.118 119.950 0.059 0.000 2.602 176 F HA 0.338 4.871 4.527 0.010 0.000 0.284 176 F C 0.684 176.513 175.800 0.048 0.000 1.111 176 F CA -0.117 57.917 58.000 0.057 0.000 1.405 176 F CB 0.060 39.099 39.000 0.065 0.000 1.121 176 F HN -0.064 nan 8.300 nan 0.000 0.603 177 L N 2.189 123.553 121.223 0.236 0.000 2.371 177 L HA 0.381 4.728 4.340 0.010 0.000 0.272 177 L C 0.355 177.259 176.870 0.057 0.000 1.124 177 L CA -0.485 54.431 54.840 0.126 0.000 0.816 177 L CB 0.839 42.981 42.059 0.138 0.000 1.129 177 L HN 0.087 nan 8.230 nan 0.000 0.448 178 R N 2.464 122.961 120.500 -0.006 0.000 2.873 178 R HA 0.819 5.166 4.340 0.010 0.000 0.264 178 R C -0.660 175.607 176.300 -0.055 0.000 1.026 178 R CA -0.891 55.197 56.100 -0.020 0.000 1.002 178 R CB 1.335 31.619 30.300 -0.026 0.000 1.174 178 R HN 0.549 nan 8.270 nan 0.000 0.488 179 A N 1.010 123.807 122.820 -0.039 0.000 2.540 179 A HA 0.417 4.743 4.320 0.010 0.000 0.239 179 A C 1.178 178.709 177.584 -0.089 0.000 1.061 179 A CA 0.960 52.966 52.037 -0.051 0.000 0.758 179 A CB -0.840 18.144 19.000 -0.027 0.000 0.991 179 A HN 1.258 nan 8.150 nan 0.000 0.502 180 G N 1.735 110.467 108.800 -0.114 0.000 2.559 180 G HA2 -0.236 3.730 3.960 0.010 0.000 0.282 180 G HA3 -0.236 3.730 3.960 0.010 0.000 0.282 180 G C 0.092 174.865 174.900 -0.211 0.000 1.177 180 G CA 0.410 45.428 45.100 -0.137 0.000 0.960 180 G HN 1.009 nan 8.290 nan 0.000 0.540 181 E N 2.319 122.407 120.200 -0.186 0.000 2.290 181 E HA 0.347 4.703 4.350 0.010 0.000 0.277 181 E C -0.075 176.348 176.600 -0.294 0.000 1.035 181 E CA -0.023 56.237 56.400 -0.232 0.000 0.873 181 E CB 0.308 29.920 29.700 -0.146 0.000 1.029 181 E HN 0.412 nan 8.360 nan 0.000 0.419 182 N N 2.659 121.063 118.700 -0.494 0.000 2.321 182 N HA 0.379 5.125 4.740 0.010 0.000 0.290 182 N C -0.911 174.399 175.510 -0.333 0.000 1.212 182 N CA -0.699 52.057 53.050 -0.491 0.000 0.767 182 N CB 2.482 40.493 38.487 -0.793 0.000 1.494 182 N HN 0.285 nan 8.380 nan 0.000 0.479 183 R N 1.617 122.069 120.500 -0.079 0.000 2.513 183 R HA 0.470 4.816 4.340 0.010 0.000 0.301 183 R C -1.128 175.248 176.300 0.127 0.000 0.968 183 R CA -0.499 55.626 56.100 0.042 0.000 0.872 183 R CB 1.062 31.338 30.300 -0.040 0.000 1.177 183 R HN 0.490 nan 8.270 nan 0.000 0.444 184 L N 2.742 124.053 121.223 0.147 0.000 2.379 184 L HA 0.675 5.021 4.340 0.010 0.000 0.269 184 L C -0.122 176.767 176.870 0.031 0.000 1.084 184 L CA -0.759 54.144 54.840 0.105 0.000 0.802 184 L CB 1.807 43.894 42.059 0.047 0.000 1.175 184 L HN 0.758 nan 8.230 nan 0.000 0.448 185 A N 2.624 125.492 122.820 0.081 0.000 2.522 185 A HA 0.623 4.950 4.320 0.010 0.000 0.285 185 A C -1.021 176.817 177.584 0.424 0.000 1.198 185 A CA -0.386 51.612 52.037 -0.065 0.000 0.742 185 A CB 1.054 19.648 19.000 -0.676 0.000 1.176 185 A HN 0.349 nan 8.150 nan 0.000 0.444 186 V N 3.791 124.111 119.914 0.677 0.000 2.293 186 V HA 0.347 4.473 4.120 0.010 0.000 0.275 186 V C 0.240 176.847 176.094 0.856 0.000 1.021 186 V CA -0.217 62.493 62.300 0.683 0.000 0.815 186 V CB 1.095 33.146 31.823 0.380 0.000 1.025 186 V HN 0.936 nan 8.190 nan 0.000 0.448 187 M N 6.276 126.435 119.600 0.931 0.000 2.108 187 M HA 0.465 4.951 4.480 0.010 0.000 0.347 187 M C -1.238 175.350 176.300 0.480 0.000 1.326 187 M CA -0.084 55.574 55.300 0.597 0.000 1.126 187 M CB 0.800 33.785 32.600 0.641 0.000 1.606 187 M HN 0.435 nan 8.290 nan 0.000 0.462 188 V N 6.926 127.069 119.914 0.382 0.000 2.398 188 V HA 0.424 4.550 4.120 0.010 0.000 0.286 188 V C -0.276 176.000 176.094 0.303 0.000 1.026 188 V CA -0.738 61.806 62.300 0.407 0.000 0.868 188 V CB 1.559 33.710 31.823 0.546 0.000 0.982 188 V HN 0.794 nan 8.190 nan 0.000 0.443 189 L N 4.529 125.883 121.223 0.219 0.000 2.295 189 L HA 0.551 4.897 4.340 0.010 0.000 0.285 189 L C 1.484 178.410 176.870 0.093 0.000 1.035 189 L CA -0.259 54.633 54.840 0.087 0.000 0.806 189 L CB 1.227 43.248 42.059 -0.063 0.000 1.214 189 L HN 0.594 nan 8.230 nan 0.000 0.426 190 R N 2.484 122.978 120.500 -0.010 0.000 2.066 190 R HA -0.028 4.318 4.340 0.010 0.000 0.232 190 R C -0.376 175.633 176.300 -0.484 0.000 1.131 190 R CA 1.180 57.031 56.100 -0.416 0.000 0.955 190 R CB 0.206 30.084 30.300 -0.704 0.000 0.851 190 R HN 0.585 nan 8.270 nan 0.000 0.432 191 W N 0.253 121.634 121.300 0.135 0.000 2.627 191 W HA 0.421 5.087 4.660 0.010 0.000 0.339 191 W C -0.340 176.308 176.519 0.215 0.000 1.058 191 W CA -0.806 56.627 57.345 0.148 0.000 1.223 191 W CB 1.758 31.302 29.460 0.141 0.000 1.389 191 W HN 0.023 nan 8.180 nan 0.000 0.541 192 S N -1.165 114.855 115.700 0.534 0.000 2.636 192 S HA 0.151 4.627 4.470 0.010 0.000 0.268 192 S C 0.013 174.911 174.600 0.497 0.000 1.159 192 S CA -0.490 58.025 58.200 0.526 0.000 0.815 192 S CB 1.088 64.578 63.200 0.483 0.000 1.130 192 S HN 0.653 nan 8.310 nan 0.000 0.471 193 D N 0.521 121.204 120.400 0.472 0.000 2.265 193 D HA 0.047 4.693 4.640 0.010 0.000 0.208 193 D C 1.790 178.427 176.300 0.563 0.000 0.977 193 D CA 1.293 55.610 54.000 0.528 0.000 0.871 193 D CB -0.675 40.265 40.800 0.233 0.000 0.925 193 D HN 0.713 nan 8.370 nan 0.000 0.485 194 G N 0.316 109.366 108.800 0.417 0.000 2.422 194 G HA2 -0.300 3.667 3.960 0.010 0.000 0.218 194 G HA3 -0.300 3.667 3.960 0.010 0.000 0.218 194 G C 1.757 176.875 174.900 0.364 0.000 1.146 194 G CA 0.844 46.158 45.100 0.357 0.000 0.769 194 G HN 0.330 nan 8.290 nan 0.000 0.547 195 S N 0.114 116.032 115.700 0.363 0.000 2.420 195 S HA -0.154 4.322 4.470 0.010 0.000 0.237 195 S C 1.961 176.731 174.600 0.284 0.000 1.023 195 S CA 1.061 59.450 58.200 0.315 0.000 0.991 195 S CB -0.434 62.978 63.200 0.354 0.000 0.792 195 S HN 0.519 nan 8.310 nan 0.000 0.488 196 Y N 1.151 121.624 120.300 0.288 0.000 2.403 196 Y HA 0.052 4.608 4.550 0.010 0.000 0.291 196 Y C 1.594 177.626 175.900 0.220 0.000 1.143 196 Y CA 0.691 58.904 58.100 0.188 0.000 1.257 196 Y CB -0.273 38.170 38.460 -0.027 0.000 0.984 196 Y HN 0.209 nan 8.280 nan 0.000 0.550 197 L N -0.564 120.872 121.223 0.355 0.000 2.667 197 L HA 0.168 4.514 4.340 0.010 0.000 0.232 197 L C -0.094 176.917 176.870 0.235 0.000 1.138 197 L CA 0.288 55.280 54.840 0.254 0.000 0.921 197 L CB 0.156 42.363 42.059 0.248 0.000 1.180 197 L HN 0.031 nan 8.230 nan 0.000 0.487 198 E N 0.354 120.704 120.200 0.250 0.000 3.568 198 E HA 0.075 4.431 4.350 0.010 0.000 0.213 198 E C -0.618 176.073 176.600 0.151 0.000 1.197 198 E CA -0.049 56.479 56.400 0.213 0.000 1.126 198 E CB 0.599 30.425 29.700 0.212 0.000 1.285 198 E HN 0.011 nan 8.360 nan 0.000 0.418 199 D N 1.363 121.803 120.400 0.067 0.000 2.755 199 D HA 0.062 4.708 4.640 0.010 0.000 0.257 199 D C -0.339 175.941 176.300 -0.033 0.000 1.291 199 D CA -0.290 53.629 54.000 -0.135 0.000 0.836 199 D CB 0.256 40.749 40.800 -0.512 0.000 1.059 199 D HN 0.066 nan 8.370 nan 0.000 0.486 200 Q N 0.333 120.210 119.800 0.128 0.000 2.421 200 Q HA 0.178 4.525 4.340 0.010 0.000 0.255 200 Q C -0.141 175.978 176.000 0.198 0.000 1.013 200 Q CA 0.020 55.982 55.803 0.264 0.000 0.895 200 Q CB 0.598 29.649 28.738 0.523 0.000 1.271 200 Q HN 0.037 nan 8.270 nan 0.000 0.460 201 D N 2.421 122.980 120.400 0.266 0.000 2.455 201 D HA 0.206 4.852 4.640 0.010 0.000 0.234 201 D C -0.805 175.635 176.300 0.235 0.000 1.224 201 D CA 0.167 54.300 54.000 0.222 0.000 0.999 201 D CB -0.473 40.487 40.800 0.265 0.000 1.072 201 D HN 0.498 nan 8.370 nan 0.000 0.514 202 M N 0.092 119.781 119.600 0.149 0.000 3.147 202 M HA 0.409 4.895 4.480 0.010 0.000 0.276 202 M C -1.390 174.976 176.300 0.111 0.000 1.211 202 M CA -1.163 54.159 55.300 0.037 0.000 0.820 202 M CB 1.178 33.720 32.600 -0.096 0.000 1.621 202 M HN -0.115 nan 8.290 nan 0.000 0.507 203 W N 2.066 123.443 121.300 0.129 0.000 2.251 203 W HA 0.355 5.021 4.660 0.010 0.000 0.327 203 W C 0.203 176.731 176.519 0.016 0.000 1.361 203 W CA -0.125 57.278 57.345 0.097 0.000 1.234 203 W CB 0.433 29.901 29.460 0.012 0.000 1.212 203 W HN 0.270 nan 8.180 nan 0.000 0.557 204 R N 5.140 125.814 120.500 0.291 0.000 2.235 204 R HA 0.351 4.697 4.340 0.010 0.000 0.338 204 R C -0.109 176.204 176.300 0.021 0.000 1.087 204 R CA -0.074 56.123 56.100 0.162 0.000 0.948 204 R CB -0.071 30.394 30.300 0.275 0.000 1.099 204 R HN 0.568 nan 8.270 nan 0.000 0.483 205 M N 0.233 119.743 119.600 -0.150 0.000 2.758 205 M HA 0.509 4.995 4.480 0.010 0.000 0.281 205 M C -0.008 175.971 176.300 -0.533 0.000 1.082 205 M CA -0.792 54.297 55.300 -0.351 0.000 0.866 205 M CB 2.056 34.446 32.600 -0.350 0.000 1.662 205 M HN 0.588 nan 8.290 nan 0.000 0.515 206 S N -1.207 114.057 115.700 -0.728 0.000 2.578 206 S HA 0.887 5.363 4.470 0.010 0.000 0.272 206 S C -0.646 173.505 174.600 -0.749 0.000 1.145 206 S CA -0.243 57.458 58.200 -0.833 0.000 0.835 206 S CB 1.581 64.037 63.200 -1.240 0.000 1.104 206 S HN 1.481 nan 8.310 nan 0.000 0.458 207 G N 0.263 108.888 108.800 -0.291 0.000 2.373 207 G HA2 0.138 4.104 3.960 0.010 0.000 0.634 207 G HA3 0.138 4.104 3.960 0.010 0.000 0.634 207 G C -1.215 173.698 174.900 0.022 0.000 1.267 207 G CA -0.605 44.593 45.100 0.164 0.000 1.008 207 G HN 1.267 nan 8.290 nan 0.000 0.497 208 I N 2.055 122.449 120.570 -0.292 0.000 2.243 208 I HA 0.260 4.436 4.170 0.010 0.000 0.297 208 I C 1.253 177.218 176.117 -0.254 0.000 1.161 208 I CA -0.111 60.923 61.300 -0.444 0.000 1.298 208 I CB -0.334 37.136 38.000 -0.882 0.000 1.475 208 I HN 0.506 nan 8.210 nan 0.000 0.561 209 F N 4.184 123.982 119.950 -0.253 0.000 2.721 209 F HA 0.443 4.976 4.527 0.010 0.000 0.301 209 F C 0.767 176.492 175.800 -0.124 0.000 1.096 209 F CA -0.518 57.370 58.000 -0.187 0.000 1.308 209 F CB -0.043 38.856 39.000 -0.169 0.000 1.086 209 F HN 0.120 nan 8.300 nan 0.000 0.587 210 R N 0.318 120.400 120.500 -0.697 0.000 2.988 210 R HA 0.250 4.597 4.340 0.010 0.000 0.244 210 R C -0.716 175.405 176.300 -0.297 0.000 1.269 210 R CA -1.163 54.656 56.100 -0.469 0.000 1.046 210 R CB 0.483 30.404 30.300 -0.632 0.000 1.282 210 R HN -0.063 nan 8.270 nan 0.000 0.495 211 D N 0.935 121.214 120.400 -0.201 0.000 2.472 211 D HA 0.094 4.740 4.640 0.010 0.000 0.237 211 D C -0.529 175.656 176.300 -0.193 0.000 1.141 211 D CA 0.463 54.375 54.000 -0.146 0.000 0.875 211 D CB 0.842 41.588 40.800 -0.089 0.000 1.192 211 D HN 0.003 nan 8.370 nan 0.000 0.450 212 V N 1.514 121.319 119.914 -0.181 0.000 2.555 212 V HA 0.577 4.703 4.120 0.010 0.000 0.302 212 V C 0.096 176.081 176.094 -0.181 0.000 1.038 212 V CA -0.592 61.552 62.300 -0.260 0.000 0.887 212 V CB 1.744 33.424 31.823 -0.239 0.000 0.991 212 V HN 0.725 nan 8.190 nan 0.000 0.434 213 S N 4.176 119.742 115.700 -0.222 0.000 2.579 213 S HA 0.804 5.280 4.470 0.010 0.000 0.272 213 S C -1.246 173.295 174.600 -0.098 0.000 1.141 213 S CA -0.893 57.239 58.200 -0.113 0.000 0.843 213 S CB 1.866 65.037 63.200 -0.050 0.000 1.122 213 S HN 0.480 nan 8.310 nan 0.000 0.468 214 L N 1.834 123.059 121.223 0.004 0.000 2.325 214 L HA 0.589 4.936 4.340 0.010 0.000 0.281 214 L C -1.427 175.640 176.870 0.328 0.000 1.004 214 L CA -0.839 54.081 54.840 0.133 0.000 0.823 214 L CB 1.628 43.743 42.059 0.093 0.000 1.236 214 L HN 0.665 nan 8.230 nan 0.000 0.415 215 L N 4.101 125.493 121.223 0.281 0.000 2.305 215 L HA 0.408 4.754 4.340 0.010 0.000 0.284 215 L C -0.362 176.573 176.870 0.108 0.000 1.013 215 L CA -0.110 54.844 54.840 0.190 0.000 0.819 215 L CB 1.069 43.184 42.059 0.094 0.000 1.227 215 L HN 0.452 nan 8.230 nan 0.000 0.417 216 H N 5.643 124.525 119.070 -0.312 0.000 2.562 216 H HA 0.391 4.953 4.556 0.010 0.000 0.314 216 H C -1.097 174.020 175.328 -0.351 0.000 1.079 216 H CA -0.368 55.355 56.048 -0.542 0.000 1.349 216 H CB 0.909 29.832 29.762 -1.397 0.000 1.432 216 H HN 0.521 nan 8.280 nan 0.000 0.479 217 K N 5.803 125.843 120.400 -0.601 0.000 2.318 217 K HA 0.355 4.681 4.320 0.010 0.000 0.249 217 K C -2.660 173.666 176.600 -0.458 0.000 0.942 217 K CA -2.079 53.968 56.287 -0.400 0.000 0.808 217 K CB 2.003 34.339 32.500 -0.274 0.000 1.189 217 K HN 0.493 nan 8.250 nan 0.000 0.428 218 P HA 0.067 nan 4.420 nan 0.000 0.270 218 P C 0.552 177.764 177.300 -0.147 0.000 1.223 218 P CA 0.021 63.035 63.100 -0.143 0.000 0.785 218 P CB 0.491 32.143 31.700 -0.079 0.000 0.923 219 T N -0.427 114.069 114.554 -0.097 0.000 2.652 219 T HA -0.081 4.275 4.350 0.010 0.000 0.267 219 T C 0.573 175.226 174.700 -0.079 0.000 1.039 219 T CA 1.608 63.661 62.100 -0.078 0.000 1.153 219 T CB -0.778 68.065 68.868 -0.043 0.000 0.863 219 T HN 0.450 nan 8.240 nan 0.000 0.428 220 T N 4.037 118.552 114.554 -0.065 0.000 2.738 220 T HA 0.359 4.715 4.350 0.010 0.000 0.294 220 T C -0.050 174.596 174.700 -0.091 0.000 0.914 220 T CA -0.427 61.626 62.100 -0.079 0.000 1.052 220 T CB 0.155 68.995 68.868 -0.046 0.000 0.897 220 T HN 0.494 nan 8.240 nan 0.000 0.522 221 Q N 2.496 122.225 119.800 -0.119 0.000 2.495 221 Q HA 0.624 4.970 4.340 0.010 0.000 0.287 221 Q C -1.150 174.769 176.000 -0.135 0.000 1.078 221 Q CA -1.198 54.520 55.803 -0.140 0.000 0.793 221 Q CB 1.441 30.079 28.738 -0.168 0.000 1.459 221 Q HN 0.467 nan 8.270 nan 0.000 0.422 222 I N 2.636 123.094 120.570 -0.187 0.000 2.363 222 I HA 0.039 4.215 4.170 0.010 0.000 0.292 222 I C 0.759 176.772 176.117 -0.174 0.000 1.075 222 I CA -0.102 61.103 61.300 -0.159 0.000 1.333 222 I CB 1.059 38.916 38.000 -0.237 0.000 1.415 222 I HN 0.866 nan 8.210 nan 0.000 0.502 223 S N 2.606 118.314 115.700 0.013 0.000 2.503 223 S HA 0.174 4.650 4.470 0.010 0.000 0.215 223 S C 0.217 174.989 174.600 0.287 0.000 1.003 223 S CA -0.181 58.089 58.200 0.116 0.000 0.910 223 S CB 0.226 63.453 63.200 0.045 0.000 0.790 223 S HN 0.706 nan 8.310 nan 0.000 0.514 224 D N -0.253 120.319 120.400 0.287 0.000 2.722 224 D HA 0.477 5.123 4.640 0.010 0.000 0.231 224 D C -2.019 174.402 176.300 0.201 0.000 1.218 224 D CA -0.686 53.447 54.000 0.222 0.000 0.753 224 D CB 1.542 42.339 40.800 -0.005 0.000 1.471 224 D HN 0.186 nan 8.370 nan 0.000 0.455 225 F N -0.016 119.887 119.950 -0.078 0.000 2.605 225 F HA 0.570 5.103 4.527 0.010 0.000 0.320 225 F C -1.490 174.224 175.800 -0.142 0.000 1.159 225 F CA -0.763 57.151 58.000 -0.143 0.000 0.999 225 F CB 0.870 39.876 39.000 0.010 0.000 1.258 225 F HN 0.203 nan 8.300 nan 0.000 0.464 226 H N 2.534 121.632 119.070 0.047 0.000 2.459 226 H HA 0.756 5.319 4.556 0.011 0.000 0.332 226 H C -0.948 174.395 175.328 0.025 0.000 1.094 226 H CA -1.394 54.627 56.048 -0.045 0.000 1.224 226 H CB 2.290 32.021 29.762 -0.052 0.000 1.449 226 H HN 0.618 nan 8.280 nan 0.000 0.484 227 V N 2.300 122.280 119.914 0.109 0.000 2.459 227 V HA 0.694 4.820 4.120 0.010 0.000 0.295 227 V C -0.171 175.906 176.094 -0.029 0.000 1.029 227 V CA -0.613 61.716 62.300 0.048 0.000 0.874 227 V CB 1.301 33.154 31.823 0.050 0.000 0.985 227 V HN 0.955 nan 8.190 nan 0.000 0.438 228 A N 3.165 125.942 122.820 -0.073 0.000 2.435 228 A HA 0.948 5.275 4.320 0.010 0.000 0.304 228 A C -0.220 177.237 177.584 -0.212 0.000 1.064 228 A CA -0.519 51.452 52.037 -0.111 0.000 0.727 228 A CB 2.108 21.066 19.000 -0.069 0.000 1.284 228 A HN 0.929 nan 8.150 nan 0.000 0.415 229 T N -0.354 114.053 114.554 -0.244 0.000 2.840 229 T HA 0.722 5.078 4.350 0.010 0.000 0.287 229 T C -0.435 174.040 174.700 -0.375 0.000 0.991 229 T CA -0.812 61.037 62.100 -0.418 0.000 0.964 229 T CB 1.000 69.507 68.868 -0.601 0.000 0.954 229 T HN 1.002 nan 8.240 nan 0.000 0.438 230 R N 1.826 122.042 120.500 -0.473 0.000 2.854 230 R HA 0.847 5.193 4.340 0.010 0.000 0.271 230 R C -1.658 174.314 176.300 -0.547 0.000 0.996 230 R CA -1.021 54.883 56.100 -0.326 0.000 0.961 230 R CB 1.376 31.606 30.300 -0.116 0.000 1.182 230 R HN 0.486 nan 8.270 nan 0.000 0.479 231 F N 0.602 120.544 119.950 -0.014 0.000 2.576 231 F HA 0.309 4.841 4.527 0.009 0.000 0.313 231 F C 0.128 175.800 175.800 -0.213 0.000 1.078 231 F CA -1.118 56.826 58.000 -0.094 0.000 0.921 231 F CB 1.646 40.553 39.000 -0.155 0.000 1.232 231 F HN 0.672 nan 8.300 nan 0.000 0.459 232 N N 0.485 119.182 118.700 -0.005 0.000 2.354 232 N HA -0.013 4.733 4.740 0.010 0.000 0.246 232 N C 0.599 175.964 175.510 -0.242 0.000 1.285 232 N CA 0.009 53.008 53.050 -0.085 0.000 0.925 232 N CB 0.311 38.779 38.487 -0.030 0.000 1.174 232 N HN 0.707 nan 8.380 nan 0.000 0.478 233 D N -0.465 119.834 120.400 -0.169 0.000 2.149 233 D HA -0.289 4.357 4.640 0.010 0.000 0.194 233 D C 0.660 176.835 176.300 -0.208 0.000 1.001 233 D CA 1.953 55.843 54.000 -0.184 0.000 0.849 233 D CB -0.586 40.177 40.800 -0.061 0.000 0.939 233 D HN 0.777 nan 8.370 nan 0.000 0.449 234 D N -1.245 119.110 120.400 -0.076 0.000 2.340 234 D HA -0.040 4.606 4.640 0.010 0.000 0.217 234 D C 0.214 176.680 176.300 0.277 0.000 1.081 234 D CA -0.672 53.400 54.000 0.120 0.000 0.842 234 D CB -0.814 40.051 40.800 0.108 0.000 0.934 234 D HN 0.282 nan 8.370 nan 0.000 0.511 235 F N 0.217 120.222 119.950 0.092 0.000 2.953 235 F HA -0.284 4.249 4.527 0.010 0.000 0.292 235 F C 1.611 177.501 175.800 0.149 0.000 0.747 235 F CA 0.815 58.882 58.000 0.112 0.000 1.222 235 F CB -2.559 36.386 39.000 -0.092 0.000 1.457 235 F HN 0.189 nan 8.300 nan 0.000 0.383 236 S N -1.270 114.559 115.700 0.215 0.000 2.558 236 S HA 0.267 4.743 4.470 0.010 0.000 0.217 236 S C 0.648 175.318 174.600 0.116 0.000 0.975 236 S CA -0.006 58.282 58.200 0.148 0.000 0.912 236 S CB 0.394 63.652 63.200 0.097 0.000 0.776 236 S HN 0.448 nan 8.310 nan 0.000 0.526 237 R N 0.210 120.791 120.500 0.135 0.000 2.673 237 R HA 0.773 5.119 4.340 0.010 0.000 0.281 237 R C -1.443 174.918 176.300 0.101 0.000 0.991 237 R CA -0.290 55.857 56.100 0.077 0.000 0.896 237 R CB 2.305 32.622 30.300 0.029 0.000 1.201 237 R HN 0.270 nan 8.270 nan 0.000 0.457 238 A N 1.886 124.713 122.820 0.010 0.000 2.498 238 A HA 0.664 4.990 4.320 0.010 0.000 0.298 238 A C -1.256 176.274 177.584 -0.089 0.000 1.075 238 A CA -0.615 51.352 52.037 -0.116 0.000 0.714 238 A CB 2.008 20.935 19.000 -0.123 0.000 1.299 238 A HN 0.363 nan 8.150 nan 0.000 0.407 239 V N 2.342 122.167 119.914 -0.149 0.000 2.357 239 V HA 0.363 4.489 4.120 0.010 0.000 0.284 239 V C -0.226 175.795 176.094 -0.121 0.000 1.018 239 V CA -0.316 61.925 62.300 -0.098 0.000 0.841 239 V CB 1.178 32.945 31.823 -0.093 0.000 0.991 239 V HN 0.786 nan 8.190 nan 0.000 0.437 240 L N 4.849 126.038 121.223 -0.056 0.000 2.281 240 L HA 0.520 4.866 4.340 0.010 0.000 0.285 240 L C 0.158 176.973 176.870 -0.090 0.000 1.074 240 L CA 0.123 54.892 54.840 -0.119 0.000 0.817 240 L CB 0.864 42.884 42.059 -0.065 0.000 1.168 240 L HN 0.746 nan 8.230 nan 0.000 0.434 241 E N 4.488 124.627 120.200 -0.101 0.000 2.155 241 E HA 0.590 4.946 4.350 0.010 0.000 0.264 241 E C -1.309 175.274 176.600 -0.030 0.000 0.886 241 E CA -0.701 55.663 56.400 -0.059 0.000 0.752 241 E CB 1.508 31.173 29.700 -0.058 0.000 1.133 241 E HN 0.717 nan 8.360 nan 0.000 0.414 242 A N 4.735 127.550 122.820 -0.009 0.000 2.291 242 A HA 0.309 4.635 4.320 0.010 0.000 0.311 242 A C -0.552 177.049 177.584 0.029 0.000 1.224 242 A CA -0.625 51.434 52.037 0.036 0.000 0.821 242 A CB 1.015 20.044 19.000 0.048 0.000 1.172 242 A HN 0.700 nan 8.150 nan 0.000 0.494 243 E N 2.641 122.875 120.200 0.057 0.000 2.115 243 E HA 0.500 4.856 4.350 0.010 0.000 0.282 243 E C -1.224 175.382 176.600 0.010 0.000 0.987 243 E CA -0.274 56.141 56.400 0.025 0.000 0.797 243 E CB 1.062 30.797 29.700 0.059 0.000 1.086 243 E HN 0.431 nan 8.360 nan 0.000 0.397 244 V N 4.595 124.511 119.914 0.002 0.000 2.555 244 V HA 0.326 4.452 4.120 0.010 0.000 0.302 244 V C -0.295 175.871 176.094 0.120 0.000 1.038 244 V CA -0.827 61.505 62.300 0.053 0.000 0.887 244 V CB 1.674 33.503 31.823 0.011 0.000 0.991 244 V HN 0.682 nan 8.190 nan 0.000 0.434 245 Q N 4.055 123.936 119.800 0.134 0.000 2.377 245 Q HA 0.840 5.186 4.340 0.010 0.000 0.271 245 Q C -0.904 175.167 176.000 0.118 0.000 1.077 245 Q CA -0.888 54.995 55.803 0.134 0.000 0.820 245 Q CB 2.756 31.498 28.738 0.007 0.000 1.347 245 Q HN 0.833 nan 8.270 nan 0.000 0.444 246 M N -0.947 118.655 119.600 0.003 0.000 2.690 246 M HA 0.781 5.267 4.480 0.010 0.000 0.302 246 M C -1.351 174.858 176.300 -0.152 0.000 1.234 246 M CA -0.476 54.737 55.300 -0.146 0.000 0.853 246 M CB 1.677 34.004 32.600 -0.455 0.000 1.748 246 M HN 0.533 nan 8.290 nan 0.000 0.469 247 C N 0.720 119.935 119.300 -0.142 0.000 2.707 247 C HA 1.029 5.496 4.460 0.010 0.000 0.313 247 C C 0.713 175.625 174.990 -0.129 0.000 1.209 247 C CA 0.612 59.562 59.018 -0.112 0.000 1.635 247 C CB 1.005 28.703 27.740 -0.070 0.000 2.206 247 C HN 1.411 nan 8.230 nan 0.000 0.485 248 G N 1.999 110.736 108.800 -0.105 0.000 2.428 248 G HA2 -0.009 3.957 3.960 0.010 0.000 0.202 248 G HA3 -0.009 3.957 3.960 0.010 0.000 0.202 248 G C -0.724 174.110 174.900 -0.110 0.000 1.247 248 G CA -0.107 44.937 45.100 -0.095 0.000 1.020 248 G HN 1.078 nan 8.290 nan 0.000 0.529 249 E N 0.233 120.374 120.200 -0.097 0.000 2.290 249 E HA 0.508 4.864 4.350 0.010 0.000 0.277 249 E C -0.003 176.492 176.600 -0.175 0.000 1.035 249 E CA -0.704 55.633 56.400 -0.104 0.000 0.873 249 E CB 1.070 30.735 29.700 -0.058 0.000 1.029 249 E HN 0.551 nan 8.360 nan 0.000 0.419 250 L N 4.444 125.557 121.223 -0.183 0.000 2.313 250 L HA 0.304 4.650 4.340 0.010 0.000 0.282 250 L C 0.219 176.943 176.870 -0.243 0.000 1.092 250 L CA -0.272 54.427 54.840 -0.234 0.000 0.831 250 L CB 0.335 42.288 42.059 -0.178 0.000 1.159 250 L HN 0.561 nan 8.230 nan 0.000 0.442 251 R N 2.003 122.279 120.500 -0.373 0.000 2.771 251 R HA 0.224 4.570 4.340 0.010 0.000 0.274 251 R C -0.085 175.948 176.300 -0.445 0.000 0.987 251 R CA -0.849 54.953 56.100 -0.496 0.000 0.908 251 R CB 1.378 31.071 30.300 -1.012 0.000 1.213 251 R HN 0.469 nan 8.270 nan 0.000 0.468 252 D N 0.863 121.099 120.400 -0.273 0.000 2.218 252 D HA -0.144 4.502 4.640 0.010 0.000 0.204 252 D C 1.551 177.815 176.300 -0.060 0.000 0.976 252 D CA 1.576 55.511 54.000 -0.108 0.000 0.853 252 D CB 0.101 40.889 40.800 -0.019 0.000 0.939 252 D HN 0.567 nan 8.370 nan 0.000 0.481 253 Y N -0.049 120.264 120.300 0.021 0.000 2.583 253 Y HA 0.225 4.781 4.550 0.010 0.000 0.293 253 Y C 0.714 176.626 175.900 0.021 0.000 1.157 253 Y CA -0.369 57.744 58.100 0.022 0.000 1.315 253 Y CB -0.954 37.518 38.460 0.020 0.000 1.021 253 Y HN -0.196 nan 8.280 nan 0.000 0.536 254 L N 2.927 124.121 121.223 -0.049 0.000 2.426 254 L HA 0.327 4.673 4.340 0.010 0.000 0.271 254 L C 0.221 177.123 176.870 0.053 0.000 1.169 254 L CA -0.087 54.791 54.840 0.064 0.000 0.836 254 L CB 0.482 42.557 42.059 0.027 0.000 1.112 254 L HN 0.155 nan 8.230 nan 0.000 0.465 255 R N 2.152 122.575 120.500 -0.127 0.000 2.799 255 R HA 0.707 5.053 4.340 0.010 0.000 0.270 255 R C -1.462 174.560 176.300 -0.463 0.000 1.010 255 R CA -0.875 55.014 56.100 -0.352 0.000 0.916 255 R CB 2.167 32.174 30.300 -0.488 0.000 1.228 255 R HN 0.262 nan 8.270 nan 0.000 0.469 256 V N 0.952 120.619 119.914 -0.412 0.000 2.540 256 V HA 0.425 4.552 4.120 0.010 0.000 0.302 256 V C -0.414 175.636 176.094 -0.072 0.000 1.035 256 V CA -0.544 61.603 62.300 -0.255 0.000 0.873 256 V CB 2.243 33.862 31.823 -0.341 0.000 0.992 256 V HN 0.711 nan 8.190 nan 0.000 0.428 257 T N 4.362 118.982 114.554 0.110 0.000 2.772 257 T HA 0.502 4.858 4.350 0.010 0.000 0.288 257 T C -0.414 174.313 174.700 0.045 0.000 0.994 257 T CA -0.310 61.860 62.100 0.116 0.000 0.951 257 T CB 1.351 70.326 68.868 0.178 0.000 0.933 257 T HN 0.326 nan 8.240 nan 0.000 0.447 258 V N 4.556 124.474 119.914 0.006 0.000 2.347 258 V HA 0.523 4.649 4.120 0.010 0.000 0.280 258 V C 0.277 176.376 176.094 0.008 0.000 1.021 258 V CA -0.711 61.590 62.300 0.003 0.000 0.847 258 V CB 1.132 32.945 31.823 -0.017 0.000 0.990 258 V HN 1.037 nan 8.190 nan 0.000 0.444 259 S N 5.515 121.244 115.700 0.049 0.000 2.537 259 S HA 0.852 5.328 4.470 0.010 0.000 0.301 259 S C -0.963 173.637 174.600 -0.000 0.000 1.092 259 S CA -0.817 57.373 58.200 -0.017 0.000 1.048 259 S CB 2.251 65.479 63.200 0.047 0.000 1.053 259 S HN 0.470 nan 8.310 nan 0.000 0.501 260 L N 2.208 123.318 121.223 -0.189 0.000 2.349 260 L HA 0.713 5.059 4.340 0.010 0.000 0.278 260 L C -1.962 174.806 176.870 -0.170 0.000 0.996 260 L CA -0.428 54.392 54.840 -0.034 0.000 0.825 260 L CB 0.740 42.805 42.059 0.009 0.000 1.243 260 L HN 0.880 nan 8.230 nan 0.000 0.412 261 W N 3.873 125.270 121.300 0.162 0.000 2.666 261 W HA 0.587 5.253 4.660 0.010 0.000 0.334 261 W C -0.259 176.367 176.519 0.178 0.000 1.051 261 W CA -0.443 56.980 57.345 0.130 0.000 1.224 261 W CB 1.354 30.847 29.460 0.054 0.000 1.405 261 W HN 0.379 nan 8.180 nan 0.000 0.513 262 Q N 2.728 122.714 119.800 0.310 0.000 2.523 262 Q HA 0.417 4.763 4.340 0.010 0.000 0.251 262 Q C 0.768 176.821 176.000 0.089 0.000 1.033 262 Q CA 0.559 56.416 55.803 0.089 0.000 0.746 262 Q CB 0.685 29.421 28.738 -0.003 0.000 1.189 262 Q HN 0.836 nan 8.270 nan 0.000 0.508 263 G N 3.451 112.298 108.800 0.077 0.000 2.601 263 G HA2 -0.349 3.617 3.960 0.010 0.000 0.306 263 G HA3 -0.349 3.617 3.960 0.010 0.000 0.306 263 G C 0.523 175.499 174.900 0.126 0.000 1.172 263 G CA 0.537 45.675 45.100 0.063 0.000 0.966 263 G HN 0.616 nan 8.290 nan 0.000 0.542 264 E N 1.135 121.417 120.200 0.137 0.000 2.431 264 E HA 0.171 4.527 4.350 0.010 0.000 0.200 264 E C 0.957 177.783 176.600 0.378 0.000 0.995 264 E CA 0.810 57.325 56.400 0.192 0.000 0.915 264 E CB 0.207 29.962 29.700 0.092 0.000 0.930 264 E HN 0.469 nan 8.360 nan 0.000 0.496 265 T N 2.350 117.061 114.554 0.263 0.000 2.761 265 T HA 0.105 4.461 4.350 0.010 0.000 0.296 265 T C 0.234 174.981 174.700 0.079 0.000 0.934 265 T CA -0.112 62.084 62.100 0.160 0.000 1.091 265 T CB 1.234 70.144 68.868 0.071 0.000 0.896 265 T HN -0.031 nan 8.240 nan 0.000 0.515 266 Q N 3.016 122.662 119.800 -0.256 0.000 2.307 266 Q HA 0.256 4.603 4.340 0.010 0.000 0.259 266 Q C 0.993 176.761 176.000 -0.387 0.000 0.998 266 Q CA -0.431 54.885 55.803 -0.811 0.000 0.923 266 Q CB 0.756 28.669 28.738 -1.375 0.000 1.196 266 Q HN 0.729 nan 8.270 nan 0.000 0.416 267 V N 1.074 120.825 119.914 -0.271 0.000 3.307 267 V HA 0.569 4.695 4.120 0.010 0.000 0.253 267 V C 0.227 176.226 176.094 -0.159 0.000 1.149 267 V CA 0.806 63.023 62.300 -0.138 0.000 1.112 267 V CB 0.294 32.105 31.823 -0.019 0.000 0.777 267 V HN 0.610 nan 8.190 nan 0.000 0.464 268 A N -0.663 122.030 122.820 -0.211 0.000 2.604 268 A HA 0.816 5.142 4.320 0.010 0.000 0.295 268 A C -0.687 176.783 177.584 -0.191 0.000 1.067 268 A CA 0.184 52.122 52.037 -0.165 0.000 0.683 268 A CB 1.730 20.664 19.000 -0.110 0.000 1.281 268 A HN 0.596 nan 8.150 nan 0.000 0.407 269 S N -0.532 115.086 115.700 -0.137 0.000 2.533 269 S HA 0.803 5.279 4.470 0.010 0.000 0.271 269 S C -0.534 174.027 174.600 -0.066 0.000 1.143 269 S CA 0.198 58.334 58.200 -0.107 0.000 0.891 269 S CB 1.703 64.831 63.200 -0.120 0.000 1.105 269 S HN 2.188 nan 8.310 nan 0.000 0.468 270 G N 1.705 110.478 108.800 -0.044 0.000 2.701 270 G HA2 0.623 4.589 3.960 0.010 0.000 0.300 270 G HA3 0.623 4.589 3.960 0.010 0.000 0.300 270 G C -1.397 173.491 174.900 -0.021 0.000 1.410 270 G CA -0.442 44.637 45.100 -0.036 0.000 1.014 270 G HN 0.664 nan 8.290 nan 0.000 0.509 271 T N 0.364 114.908 114.554 -0.016 0.000 2.879 271 T HA 0.777 5.133 4.350 0.010 0.000 0.290 271 T C -0.219 174.459 174.700 -0.036 0.000 0.993 271 T CA -0.179 61.921 62.100 0.001 0.000 0.975 271 T CB 1.626 70.530 68.868 0.059 0.000 0.981 271 T HN 1.238 nan 8.240 nan 0.000 0.439 272 A N 4.541 127.308 122.820 -0.088 0.000 2.556 272 A HA 0.982 5.309 4.320 0.010 0.000 0.294 272 A C -2.924 174.556 177.584 -0.173 0.000 1.091 272 A CA -1.862 50.108 52.037 -0.112 0.000 0.704 272 A CB 1.464 20.390 19.000 -0.122 0.000 1.300 272 A HN 0.527 nan 8.150 nan 0.000 0.406 273 P HA 0.467 nan 4.420 nan 0.000 0.277 273 P C -0.568 176.631 177.300 -0.170 0.000 1.271 273 P CA -0.237 62.798 63.100 -0.108 0.000 0.795 273 P CB 0.402 32.087 31.700 -0.024 0.000 1.101 274 F N -0.709 119.201 119.950 -0.068 0.000 2.403 274 F HA 0.473 5.006 4.527 0.010 0.000 0.320 274 F C 1.443 177.224 175.800 -0.031 0.000 1.176 274 F CA 1.450 59.419 58.000 -0.052 0.000 1.206 274 F CB 0.030 38.990 39.000 -0.067 0.000 1.235 274 F HN 0.624 nan 8.300 nan 0.000 0.565 275 G N 1.327 110.263 108.800 0.227 0.000 3.017 275 G HA2 0.262 4.228 3.960 0.010 0.000 0.680 275 G HA3 0.262 4.228 3.960 0.010 0.000 0.680 275 G C -0.250 174.701 174.900 0.086 0.000 1.179 275 G CA -0.711 44.467 45.100 0.128 0.000 1.142 275 G HN 1.069 nan 8.290 nan 0.000 0.489 276 G N 0.752 109.623 108.800 0.118 0.000 2.621 276 G HA2 0.683 4.649 3.960 0.010 0.000 0.271 276 G HA3 0.683 4.649 3.960 0.010 0.000 0.271 276 G C 0.558 175.500 174.900 0.070 0.000 1.236 276 G CA 0.050 45.206 45.100 0.093 0.000 0.958 276 G HN 1.243 nan 8.290 nan 0.000 0.512 277 E N -1.010 119.224 120.200 0.056 0.000 2.425 277 E HA 0.095 4.451 4.350 0.010 0.000 0.258 277 E C -0.235 176.388 176.600 0.039 0.000 1.151 277 E CA -0.419 56.003 56.400 0.037 0.000 0.958 277 E CB 0.763 30.480 29.700 0.028 0.000 0.968 277 E HN 0.289 nan 8.360 nan 0.000 0.451 278 I N 2.203 122.783 120.570 0.018 0.000 2.662 278 I HA -0.141 4.035 4.170 0.010 0.000 0.285 278 I C 0.899 177.021 176.117 0.009 0.000 1.161 278 I CA 0.019 61.321 61.300 0.004 0.000 1.415 278 I CB 0.228 38.225 38.000 -0.004 0.000 1.385 278 I HN 0.605 nan 8.210 nan 0.000 0.552 279 I N 4.635 125.203 120.570 -0.003 0.000 2.556 279 I HA 0.029 4.205 4.170 0.010 0.000 0.251 279 I C 0.670 176.780 176.117 -0.012 0.000 1.105 279 I CA 1.187 62.491 61.300 0.007 0.000 1.436 279 I CB -0.795 37.213 38.000 0.014 0.000 1.139 279 I HN 0.672 nan 8.210 nan 0.000 0.438 280 D N -1.677 118.701 120.400 -0.037 0.000 2.812 280 D HA 0.140 4.786 4.640 0.010 0.000 0.318 280 D C 0.393 176.671 176.300 -0.037 0.000 1.234 280 D CA -0.452 53.529 54.000 -0.032 0.000 0.989 280 D CB 0.426 41.205 40.800 -0.035 0.000 1.442 280 D HN -0.250 nan 8.370 nan 0.000 0.537 281 E N -1.079 119.102 120.200 -0.030 0.000 2.267 281 E HA -0.069 4.287 4.350 0.010 0.000 0.197 281 E C 1.236 177.815 176.600 -0.035 0.000 0.998 281 E CA 0.958 57.342 56.400 -0.027 0.000 0.830 281 E CB -0.009 29.678 29.700 -0.021 0.000 0.751 281 E HN 0.194 nan 8.360 nan 0.000 0.491 282 R N -0.391 120.079 120.500 -0.049 0.000 2.334 282 R HA 0.280 4.626 4.340 0.010 0.000 0.216 282 R C 0.808 177.066 176.300 -0.070 0.000 0.905 282 R CA 0.685 56.751 56.100 -0.058 0.000 1.064 282 R CB 0.570 30.830 30.300 -0.067 0.000 1.046 282 R HN 0.218 nan 8.270 nan 0.000 0.508 283 G N -0.643 108.117 108.800 -0.067 0.000 2.408 283 G HA2 -0.132 3.834 3.960 0.010 0.000 0.204 283 G HA3 -0.132 3.834 3.960 0.010 0.000 0.204 283 G C -0.121 174.726 174.900 -0.088 0.000 1.186 283 G CA -0.587 44.475 45.100 -0.064 0.000 1.139 283 G HN 0.477 nan 8.290 nan 0.000 0.563 284 G N -2.009 106.737 108.800 -0.090 0.000 3.222 284 G HA2 0.629 4.595 3.960 0.010 0.000 0.263 284 G HA3 0.629 4.595 3.960 0.010 0.000 0.263 284 G C -1.602 173.202 174.900 -0.159 0.000 1.312 284 G CA -0.647 44.396 45.100 -0.094 0.000 0.934 284 G HN 0.776 nan 8.290 nan 0.000 0.577 285 Y N 1.082 121.397 120.300 0.026 0.000 2.535 285 Y HA 0.456 5.012 4.550 0.010 0.000 0.349 285 Y C 1.373 177.303 175.900 0.050 0.000 0.992 285 Y CA 0.067 58.188 58.100 0.035 0.000 1.248 285 Y CB 1.634 40.123 38.460 0.047 0.000 1.124 285 Y HN 0.523 nan 8.280 nan 0.000 0.520 286 A N 1.624 124.528 122.820 0.140 0.000 2.119 286 A HA -0.119 4.208 4.320 0.010 0.000 0.217 286 A C 1.382 179.039 177.584 0.120 0.000 1.153 286 A CA 1.255 53.355 52.037 0.105 0.000 0.692 286 A CB -0.269 18.751 19.000 0.033 0.000 0.799 286 A HN 0.768 nan 8.150 nan 0.000 0.458 287 D N -0.972 119.505 120.400 0.129 0.000 2.358 287 D HA 0.124 4.770 4.640 0.010 0.000 0.224 287 D C 0.563 176.979 176.300 0.194 0.000 1.123 287 D CA -0.031 53.976 54.000 0.012 0.000 0.833 287 D CB -0.015 40.772 40.800 -0.021 0.000 0.946 287 D HN 0.354 nan 8.370 nan 0.000 0.505 288 R N -0.824 119.908 120.500 0.387 0.000 2.888 288 R HA 0.757 5.103 4.340 0.010 0.000 0.264 288 R C -1.571 174.875 176.300 0.243 0.000 1.045 288 R CA -1.189 55.123 56.100 0.353 0.000 0.962 288 R CB 2.995 33.371 30.300 0.126 0.000 1.210 288 R HN -0.015 nan 8.270 nan 0.000 0.479 289 V N 0.197 120.110 119.914 -0.002 0.000 3.000 289 V HA 0.466 4.592 4.120 0.010 0.000 0.300 289 V C -1.580 174.448 176.094 -0.109 0.000 1.251 289 V CA -0.298 61.906 62.300 -0.160 0.000 0.972 289 V CB 2.710 34.241 31.823 -0.486 0.000 1.065 289 V HN 0.807 nan 8.190 nan 0.000 0.431 290 T N 7.550 122.057 114.554 -0.079 0.000 2.791 290 T HA 0.571 4.928 4.350 0.010 0.000 0.288 290 T C -0.850 173.811 174.700 -0.065 0.000 0.999 290 T CA -0.411 61.657 62.100 -0.053 0.000 0.952 290 T CB 0.978 69.832 68.868 -0.024 0.000 0.938 290 T HN 0.447 nan 8.240 nan 0.000 0.444 291 L N 3.909 125.094 121.223 -0.063 0.000 2.289 291 L HA 0.517 4.863 4.340 0.010 0.000 0.285 291 L C 0.496 177.339 176.870 -0.045 0.000 1.049 291 L CA -0.255 54.549 54.840 -0.060 0.000 0.804 291 L CB 1.033 43.054 42.059 -0.062 0.000 1.195 291 L HN 0.548 nan 8.230 nan 0.000 0.428 292 R N 4.728 125.201 120.500 -0.045 0.000 2.337 292 R HA 0.642 4.988 4.340 0.010 0.000 0.319 292 R C -1.001 175.274 176.300 -0.043 0.000 0.954 292 R CA -0.516 55.558 56.100 -0.044 0.000 0.840 292 R CB 1.553 31.828 30.300 -0.042 0.000 1.164 292 R HN 0.475 nan 8.270 nan 0.000 0.472 293 L N 2.690 123.888 121.223 -0.041 0.000 2.313 293 L HA 0.439 4.785 4.340 0.010 0.000 0.283 293 L C -0.086 176.762 176.870 -0.037 0.000 1.013 293 L CA -1.094 53.723 54.840 -0.040 0.000 0.816 293 L CB 1.443 43.481 42.059 -0.035 0.000 1.236 293 L HN 0.453 nan 8.230 nan 0.000 0.419 294 N N 2.385 121.058 118.700 -0.046 0.000 2.497 294 N HA 0.311 5.057 4.740 0.010 0.000 0.271 294 N C -0.808 174.662 175.510 -0.065 0.000 1.142 294 N CA -0.103 52.917 53.050 -0.049 0.000 0.965 294 N CB 2.398 40.858 38.487 -0.046 0.000 1.077 294 N HN 0.238 nan 8.380 nan 0.000 0.462 295 V N 2.435 122.301 119.914 -0.080 0.000 2.447 295 V HA 0.156 4.282 4.120 0.010 0.000 0.292 295 V C -0.085 175.934 176.094 -0.125 0.000 1.021 295 V CA -0.878 61.331 62.300 -0.151 0.000 0.850 295 V CB 1.749 33.388 31.823 -0.307 0.000 1.005 295 V HN 0.455 nan 8.190 nan 0.000 0.426 296 E N 3.686 123.832 120.200 -0.091 0.000 2.313 296 E HA 0.257 4.613 4.350 0.010 0.000 0.276 296 E C 0.405 176.980 176.600 -0.041 0.000 1.031 296 E CA -0.164 56.208 56.400 -0.047 0.000 0.857 296 E CB 0.487 30.169 29.700 -0.030 0.000 1.040 296 E HN 0.666 nan 8.360 nan 0.000 0.408 297 N N 1.763 120.464 118.700 0.001 0.000 2.686 297 N HA -0.133 4.613 4.740 0.010 0.000 0.261 297 N C -2.235 173.284 175.510 0.015 0.000 1.001 297 N CA 0.313 53.380 53.050 0.028 0.000 0.764 297 N CB -1.050 37.453 38.487 0.027 0.000 0.898 297 N HN 0.320 nan 8.380 nan 0.000 0.544 298 P HA 0.094 nan 4.420 nan 0.000 0.271 298 P C 0.087 177.429 177.300 0.070 0.000 1.216 298 P CA 0.158 63.188 63.100 -0.117 0.000 0.776 298 P CB 0.848 32.282 31.700 -0.442 0.000 0.881 299 K N 2.553 123.068 120.400 0.193 0.000 2.412 299 K HA 0.177 4.503 4.320 0.010 0.000 0.284 299 K C 0.288 177.049 176.600 0.267 0.000 1.046 299 K CA -0.111 56.285 56.287 0.181 0.000 0.999 299 K CB -0.066 32.490 32.500 0.095 0.000 0.941 299 K HN 0.424 nan 8.250 nan 0.000 0.474 300 L N 2.678 123.986 121.223 0.140 0.000 2.399 300 L HA 0.317 4.663 4.340 0.010 0.000 0.266 300 L C -0.066 176.882 176.870 0.129 0.000 1.114 300 L CA -0.781 54.135 54.840 0.127 0.000 0.804 300 L CB 0.467 42.448 42.059 -0.129 0.000 1.146 300 L HN 0.610 nan 8.230 nan 0.000 0.451 301 W N 2.448 123.759 121.300 0.018 0.000 2.469 301 W HA 0.526 5.191 4.660 0.009 0.000 0.320 301 W C -0.203 176.251 176.519 -0.108 0.000 1.086 301 W CA 0.035 57.379 57.345 -0.002 0.000 1.211 301 W CB 1.464 30.982 29.460 0.096 0.000 1.298 301 W HN 0.600 nan 8.180 nan 0.000 0.525 302 S N 2.830 117.936 115.700 -0.990 0.000 2.611 302 S HA 0.592 5.068 4.470 0.010 0.000 0.268 302 S C 0.059 173.846 174.600 -1.356 0.000 1.156 302 S CA -0.377 57.269 58.200 -0.924 0.000 0.817 302 S CB 1.079 64.040 63.200 -0.398 0.000 1.122 302 S HN 1.022 nan 8.310 nan 0.000 0.466 303 A N 0.534 122.656 122.820 -1.163 0.000 2.070 303 A HA 0.021 4.347 4.320 0.010 0.000 0.220 303 A C 1.762 179.024 177.584 -0.536 0.000 1.159 303 A CA 1.605 53.068 52.037 -0.958 0.000 0.656 303 A CB -0.947 17.384 19.000 -1.114 0.000 0.800 303 A HN 0.872 nan 8.150 nan 0.000 0.453 304 E N -0.606 119.406 120.200 -0.314 0.000 2.028 304 E HA 0.003 4.359 4.350 0.010 0.000 0.191 304 E C -0.171 176.290 176.600 -0.232 0.000 0.988 304 E CA 0.834 57.121 56.400 -0.187 0.000 0.799 304 E CB -0.058 29.674 29.700 0.052 0.000 0.755 304 E HN 0.636 nan 8.360 nan 0.000 0.447 305 I N 1.732 122.144 120.570 -0.265 0.000 2.493 305 I HA 0.187 4.363 4.170 0.010 0.000 0.279 305 I C -2.468 173.419 176.117 -0.384 0.000 1.045 305 I CA -2.077 59.080 61.300 -0.239 0.000 1.106 305 I CB 2.019 39.934 38.000 -0.141 0.000 1.216 305 I HN -0.184 nan 8.210 nan 0.000 0.459 306 P HA 0.113 nan 4.420 nan 0.000 0.220 306 P C -0.660 176.639 177.300 -0.001 0.000 1.806 306 P CA -0.327 62.480 63.100 -0.489 0.000 0.976 306 P CB -0.220 31.346 31.700 -0.224 0.000 1.952 307 N N 1.854 120.569 118.700 0.024 0.000 2.447 307 N HA 0.110 4.856 4.740 0.010 0.000 0.263 307 N C 0.031 175.729 175.510 0.312 0.000 1.226 307 N CA 0.482 53.603 53.050 0.117 0.000 0.906 307 N CB 0.736 39.267 38.487 0.074 0.000 1.060 307 N HN 0.314 nan 8.380 nan 0.000 0.468 308 L N 2.509 123.825 121.223 0.155 0.000 2.370 308 L HA 0.465 4.811 4.340 0.010 0.000 0.266 308 L C -0.804 176.091 176.870 0.041 0.000 1.002 308 L CA -0.869 54.099 54.840 0.213 0.000 0.818 308 L CB 1.278 43.451 42.059 0.190 0.000 1.325 308 L HN 0.398 nan 8.230 nan 0.000 0.418 309 Y N 0.538 120.982 120.300 0.241 0.000 2.567 309 Y HA 0.622 5.179 4.550 0.010 0.000 0.333 309 Y C -0.115 175.906 175.900 0.203 0.000 1.106 309 Y CA -0.798 57.444 58.100 0.236 0.000 1.157 309 Y CB 1.649 40.308 38.460 0.332 0.000 1.277 309 Y HN 0.376 nan 8.280 nan 0.000 0.490 310 R N 1.299 122.029 120.500 0.384 0.000 2.393 310 R HA 0.766 5.112 4.340 0.010 0.000 0.315 310 R C -1.559 174.943 176.300 0.337 0.000 0.952 310 R CA -0.535 55.736 56.100 0.284 0.000 0.842 310 R CB 0.830 31.239 30.300 0.183 0.000 1.163 310 R HN 0.733 nan 8.270 nan 0.000 0.450 311 A N 4.425 127.391 122.820 0.243 0.000 2.249 311 A HA 0.537 4.863 4.320 0.010 0.000 0.314 311 A C -0.865 176.802 177.584 0.139 0.000 1.290 311 A CA -0.653 51.508 52.037 0.206 0.000 0.893 311 A CB 0.962 20.052 19.000 0.150 0.000 1.165 311 A HN 0.503 nan 8.150 nan 0.000 0.530 312 V N 3.403 123.416 119.914 0.166 0.000 2.427 312 V HA 0.359 4.485 4.120 0.010 0.000 0.286 312 V C -0.121 175.976 176.094 0.005 0.000 1.034 312 V CA -0.454 61.884 62.300 0.062 0.000 0.893 312 V CB 1.467 33.344 31.823 0.092 0.000 0.982 312 V HN 0.577 nan 8.190 nan 0.000 0.452 313 V N 4.566 124.417 119.914 -0.106 0.000 2.293 313 V HA 0.376 4.502 4.120 0.010 0.000 0.275 313 V C -0.029 176.015 176.094 -0.083 0.000 1.021 313 V CA -0.603 61.606 62.300 -0.153 0.000 0.815 313 V CB 0.914 32.498 31.823 -0.399 0.000 1.025 313 V HN 0.929 nan 8.190 nan 0.000 0.448 314 E N 3.924 124.130 120.200 0.010 0.000 2.115 314 E HA 0.430 4.786 4.350 0.010 0.000 0.282 314 E C -0.763 175.918 176.600 0.134 0.000 0.987 314 E CA -0.743 55.709 56.400 0.086 0.000 0.797 314 E CB 2.112 31.893 29.700 0.135 0.000 1.086 314 E HN 0.504 nan 8.360 nan 0.000 0.397 315 L N 5.060 126.335 121.223 0.087 0.000 2.265 315 L HA 0.341 4.687 4.340 0.010 0.000 0.288 315 L C -0.895 176.065 176.870 0.151 0.000 1.058 315 L CA 0.109 55.001 54.840 0.088 0.000 0.809 315 L CB -0.094 42.008 42.059 0.071 0.000 1.179 315 L HN 0.616 nan 8.230 nan 0.000 0.429 316 H N 0.207 119.332 119.070 0.091 0.000 3.017 316 H HA 0.631 5.193 4.556 0.010 0.000 0.346 316 H C -0.710 174.699 175.328 0.135 0.000 1.286 316 H CA -0.504 55.595 56.048 0.086 0.000 1.120 316 H CB 0.434 30.226 29.762 0.050 0.000 1.860 316 H HN 0.561 nan 8.280 nan 0.000 0.542 317 T N -1.117 113.596 114.554 0.265 0.000 2.918 317 T HA 0.368 4.724 4.350 0.010 0.000 0.302 317 T C 1.540 176.441 174.700 0.336 0.000 1.045 317 T CA -0.213 62.040 62.100 0.255 0.000 1.114 317 T CB 1.170 70.099 68.868 0.101 0.000 0.965 317 T HN 0.959 nan 8.240 nan 0.000 0.540 318 A N 2.113 125.073 122.820 0.233 0.000 1.948 318 A HA -0.128 4.198 4.320 0.010 0.000 0.220 318 A C 1.887 179.580 177.584 0.181 0.000 1.177 318 A CA 1.761 53.926 52.037 0.213 0.000 0.636 318 A CB -0.842 18.242 19.000 0.140 0.000 0.815 318 A HN 0.881 nan 8.150 nan 0.000 0.449 319 D N -1.321 119.153 120.400 0.124 0.000 2.363 319 D HA 0.276 4.923 4.640 0.010 0.000 0.226 319 D C 1.148 177.474 176.300 0.043 0.000 1.020 319 D CA 1.183 55.220 54.000 0.062 0.000 0.892 319 D CB -0.103 40.712 40.800 0.025 0.000 0.900 319 D HN 0.683 nan 8.370 nan 0.000 0.531 320 G N 0.445 109.287 108.800 0.070 0.000 2.215 320 G HA2 -0.200 3.766 3.960 0.010 0.000 0.198 320 G HA3 -0.200 3.766 3.960 0.010 0.000 0.198 320 G C 0.043 174.945 174.900 0.003 0.000 1.047 320 G CA -0.262 44.833 45.100 -0.007 0.000 0.747 320 G HN 0.182 nan 8.290 nan 0.000 0.495 321 T N 1.226 115.813 114.554 0.055 0.000 2.801 321 T HA 0.488 4.844 4.350 0.010 0.000 0.306 321 T C 0.280 175.033 174.700 0.089 0.000 1.020 321 T CA -0.443 61.682 62.100 0.041 0.000 0.948 321 T CB 1.660 70.538 68.868 0.016 0.000 0.962 321 T HN 0.664 nan 8.240 nan 0.000 0.465 322 L N 5.211 126.468 121.223 0.056 0.000 2.500 322 L HA 0.300 4.646 4.340 0.010 0.000 0.272 322 L C 0.889 177.800 176.870 0.069 0.000 1.149 322 L CA 0.454 55.342 54.840 0.080 0.000 0.897 322 L CB -0.174 41.905 42.059 0.034 0.000 1.178 322 L HN 0.669 nan 8.230 nan 0.000 0.473 323 I N 3.287 123.909 120.570 0.088 0.000 2.296 323 I HA 0.039 4.215 4.170 0.010 0.000 0.242 323 I C 0.496 176.627 176.117 0.023 0.000 1.087 323 I CA 0.726 62.057 61.300 0.051 0.000 1.393 323 I CB 0.051 38.085 38.000 0.057 0.000 1.093 323 I HN 0.822 nan 8.210 nan 0.000 0.421 324 E N 0.142 120.356 120.200 0.024 0.000 2.416 324 E HA 0.697 5.053 4.350 0.010 0.000 0.280 324 E C -1.513 175.096 176.600 0.015 0.000 1.055 324 E CA -1.083 55.319 56.400 0.004 0.000 0.825 324 E CB 1.763 31.427 29.700 -0.061 0.000 1.312 324 E HN -0.020 nan 8.360 nan 0.000 0.452 325 A N 1.705 124.555 122.820 0.051 0.000 2.359 325 A HA 0.620 4.946 4.320 0.010 0.000 0.303 325 A C -0.913 176.759 177.584 0.147 0.000 1.066 325 A CA -0.775 51.302 52.037 0.067 0.000 0.730 325 A CB 1.397 20.444 19.000 0.078 0.000 1.211 325 A HN 0.513 nan 8.150 nan 0.000 0.439 326 E N 0.220 120.420 120.200 0.001 0.000 2.264 326 E HA 0.849 5.205 4.350 0.010 0.000 0.260 326 E C -0.299 176.314 176.600 0.022 0.000 0.961 326 E CA -0.556 55.883 56.400 0.066 0.000 0.834 326 E CB 2.320 31.912 29.700 -0.180 0.000 1.230 326 E HN 1.085 nan 8.360 nan 0.000 0.412 327 A N -0.140 122.806 122.820 0.209 0.000 2.601 327 A HA 0.703 5.029 4.320 0.010 0.000 0.291 327 A C -1.130 176.648 177.584 0.324 0.000 1.075 327 A CA -0.447 51.684 52.037 0.158 0.000 0.671 327 A CB 0.826 19.860 19.000 0.057 0.000 1.277 327 A HN 0.855 nan 8.150 nan 0.000 0.417 328 C N -0.518 118.934 119.300 0.253 0.000 3.311 328 C HA 0.771 5.237 4.460 0.010 0.000 0.325 328 C C -1.475 173.619 174.990 0.173 0.000 1.352 328 C CA -0.973 58.191 59.018 0.243 0.000 1.308 328 C CB 1.141 29.043 27.740 0.270 0.000 1.619 328 C HN 0.817 nan 8.230 nan 0.000 0.469 329 D N 1.565 122.051 120.400 0.144 0.000 2.351 329 D HA 0.456 5.102 4.640 0.010 0.000 0.251 329 D C -0.159 176.202 176.300 0.103 0.000 1.137 329 D CA 0.272 54.353 54.000 0.135 0.000 0.879 329 D CB 1.778 42.654 40.800 0.126 0.000 1.181 329 D HN 0.535 nan 8.370 nan 0.000 0.448 330 V N 1.352 121.358 119.914 0.154 0.000 2.435 330 V HA 0.612 4.738 4.120 0.010 0.000 0.290 330 V C 0.768 176.964 176.094 0.171 0.000 1.030 330 V CA -0.851 61.507 62.300 0.097 0.000 0.881 330 V CB 1.935 33.808 31.823 0.084 0.000 0.983 330 V HN 0.615 nan 8.190 nan 0.000 0.445 331 G N 3.086 111.886 108.800 -0.001 0.000 2.533 331 G HA2 0.567 4.533 3.960 0.010 0.000 0.310 331 G HA3 0.567 4.533 3.960 0.010 0.000 0.310 331 G C -0.821 174.195 174.900 0.194 0.000 1.266 331 G CA -0.396 44.765 45.100 0.101 0.000 0.967 331 G HN 0.454 nan 8.290 nan 0.000 0.493 332 F N 4.295 124.442 119.950 0.328 0.000 2.502 332 F HA 0.333 4.866 4.527 0.010 0.000 0.361 332 F C 1.233 177.304 175.800 0.451 0.000 1.157 332 F CA 0.139 58.389 58.000 0.417 0.000 1.096 332 F CB 0.400 39.645 39.000 0.408 0.000 1.141 332 F HN 0.462 nan 8.300 nan 0.000 0.579 333 R N 3.040 123.857 120.500 0.529 0.000 2.692 333 R HA 0.446 4.792 4.340 0.010 0.000 0.269 333 R C -1.848 174.636 176.300 0.307 0.000 1.030 333 R CA -0.820 55.436 56.100 0.261 0.000 0.882 333 R CB 1.646 32.124 30.300 0.297 0.000 1.250 333 R HN 0.547 nan 8.270 nan 0.000 0.465 334 E N 2.080 122.352 120.200 0.119 0.000 2.224 334 E HA 0.452 4.808 4.350 0.010 0.000 0.265 334 E C -1.308 175.375 176.600 0.138 0.000 0.878 334 E CA -0.863 55.683 56.400 0.242 0.000 0.759 334 E CB 2.199 32.135 29.700 0.393 0.000 1.164 334 E HN 0.407 nan 8.360 nan 0.000 0.414 335 V N 5.315 125.308 119.914 0.131 0.000 2.417 335 V HA 0.597 4.724 4.120 0.010 0.000 0.291 335 V C -0.187 175.960 176.094 0.088 0.000 1.024 335 V CA -0.680 61.669 62.300 0.081 0.000 0.861 335 V CB 1.070 32.922 31.823 0.047 0.000 0.985 335 V HN 0.733 nan 8.190 nan 0.000 0.436 336 R N 3.884 124.431 120.500 0.078 0.000 2.680 336 R HA 0.744 5.090 4.340 0.010 0.000 0.269 336 R C -1.946 174.387 176.300 0.056 0.000 1.026 336 R CA -0.926 55.220 56.100 0.077 0.000 0.889 336 R CB 1.948 32.308 30.300 0.099 0.000 1.241 336 R HN 0.509 nan 8.270 nan 0.000 0.463 337 I N 1.639 122.240 120.570 0.052 0.000 2.330 337 I HA 0.285 4.461 4.170 0.010 0.000 0.289 337 I C -0.482 175.660 176.117 0.042 0.000 1.001 337 I CA -0.248 61.076 61.300 0.039 0.000 1.193 337 I CB 1.616 39.639 38.000 0.038 0.000 1.345 337 I HN 0.662 nan 8.210 nan 0.000 0.461 338 E N 6.357 126.579 120.200 0.036 0.000 2.246 338 E HA 0.245 4.601 4.350 0.010 0.000 0.266 338 E C -0.181 176.434 176.600 0.026 0.000 0.880 338 E CA -0.542 55.880 56.400 0.037 0.000 0.762 338 E CB 0.982 30.710 29.700 0.047 0.000 1.180 338 E HN 0.551 nan 8.360 nan 0.000 0.416 339 N N 3.250 121.965 118.700 0.024 0.000 2.741 339 N HA -0.228 4.518 4.740 0.010 0.000 0.250 339 N C 0.442 175.960 175.510 0.013 0.000 1.115 339 N CA 2.008 55.069 53.050 0.018 0.000 0.724 339 N CB -1.189 37.308 38.487 0.016 0.000 1.090 339 N HN 0.959 nan 8.380 nan 0.000 0.558 340 G N -2.320 106.488 108.800 0.013 0.000 2.175 340 G HA2 -0.275 3.691 3.960 0.010 0.000 0.244 340 G HA3 -0.275 3.691 3.960 0.010 0.000 0.244 340 G C -0.078 174.819 174.900 -0.005 0.000 0.982 340 G CA 0.391 45.495 45.100 0.006 0.000 0.641 340 G HN 0.430 nan 8.290 nan 0.000 0.527 341 L N 0.410 121.631 121.223 -0.004 0.000 2.329 341 L HA 0.708 5.054 4.340 0.010 0.000 0.279 341 L C 0.259 177.120 176.870 -0.014 0.000 1.014 341 L CA -1.287 53.543 54.840 -0.017 0.000 0.814 341 L CB 1.756 43.805 42.059 -0.016 0.000 1.257 341 L HN 0.120 nan 8.230 nan 0.000 0.424 342 L N 4.567 125.770 121.223 -0.034 0.000 2.313 342 L HA 0.398 4.744 4.340 0.010 0.000 0.282 342 L C -0.805 176.043 176.870 -0.037 0.000 1.092 342 L CA 0.415 55.235 54.840 -0.033 0.000 0.831 342 L CB 0.327 42.353 42.059 -0.056 0.000 1.159 342 L HN 0.380 nan 8.230 nan 0.000 0.442 343 L N 6.269 127.487 121.223 -0.008 0.000 2.341 343 L HA 0.496 4.842 4.340 0.010 0.000 0.278 343 L C -0.808 176.069 176.870 0.010 0.000 1.005 343 L CA -0.772 54.071 54.840 0.005 0.000 0.818 343 L CB 1.851 43.936 42.059 0.044 0.000 1.259 343 L HN 0.533 nan 8.230 nan 0.000 0.418 344 L N 4.688 125.921 121.223 0.016 0.000 2.298 344 L HA 0.468 4.814 4.340 0.010 0.000 0.284 344 L C -0.114 176.773 176.870 0.028 0.000 1.013 344 L CA 0.057 54.920 54.840 0.040 0.000 0.824 344 L CB 0.581 42.678 42.059 0.064 0.000 1.221 344 L HN 0.608 nan 8.230 nan 0.000 0.418 345 N N 4.115 122.686 118.700 -0.214 0.000 2.740 345 N HA -0.212 4.534 4.740 0.010 0.000 0.248 345 N C 0.881 175.991 175.510 -0.667 0.000 1.062 345 N CA 1.246 53.811 53.050 -0.809 0.000 0.704 345 N CB -1.435 36.535 38.487 -0.860 0.000 0.968 345 N HN 1.147 nan 8.380 nan 0.000 0.547 346 G N -1.903 106.816 108.800 -0.136 0.000 2.179 346 G HA2 -0.340 3.626 3.960 0.010 0.000 0.260 346 G HA3 -0.340 3.626 3.960 0.010 0.000 0.260 346 G C -0.145 174.779 174.900 0.040 0.000 0.977 346 G CA 0.782 45.935 45.100 0.087 0.000 0.641 346 G HN 0.407 nan 8.290 nan 0.000 0.533 347 K N 0.983 121.391 120.400 0.013 0.000 2.292 347 K HA 0.457 4.783 4.320 0.010 0.000 0.257 347 K C -2.775 173.789 176.600 -0.061 0.000 0.940 347 K CA -2.066 54.189 56.287 -0.052 0.000 0.811 347 K CB 2.781 35.164 32.500 -0.195 0.000 1.120 347 K HN 0.052 nan 8.250 nan 0.000 0.428 348 P HA 0.103 nan 4.420 nan 0.000 0.271 348 P C -0.067 177.164 177.300 -0.114 0.000 1.233 348 P CA -0.092 62.960 63.100 -0.080 0.000 0.764 348 P CB 0.436 32.093 31.700 -0.071 0.000 0.825 349 L N 3.612 124.761 121.223 -0.123 0.000 2.452 349 L HA 0.181 4.527 4.340 0.010 0.000 0.267 349 L C 0.843 177.624 176.870 -0.149 0.000 1.188 349 L CA -0.432 54.318 54.840 -0.149 0.000 0.821 349 L CB 0.214 42.136 42.059 -0.227 0.000 1.102 349 L HN 0.279 nan 8.230 nan 0.000 0.470 350 L N 4.276 125.427 121.223 -0.120 0.000 2.366 350 L HA 0.385 4.731 4.340 0.010 0.000 0.266 350 L C -0.399 176.407 176.870 -0.107 0.000 1.010 350 L CA -0.253 54.503 54.840 -0.140 0.000 0.879 350 L CB 0.682 42.694 42.059 -0.079 0.000 1.228 350 L HN 0.269 nan 8.230 nan 0.000 0.439 351 I N 4.859 125.288 120.570 -0.236 0.000 2.471 351 I HA 0.086 4.262 4.170 0.010 0.000 0.294 351 I C 0.650 176.695 176.117 -0.120 0.000 1.123 351 I CA 0.396 61.561 61.300 -0.224 0.000 1.336 351 I CB -0.164 37.588 38.000 -0.414 0.000 1.430 351 I HN 0.527 nan 8.210 nan 0.000 0.533 352 R N 4.768 125.331 120.500 0.105 0.000 2.870 352 R HA 0.428 4.774 4.340 0.010 0.000 0.254 352 R C 0.595 177.065 176.300 0.284 0.000 1.392 352 R CA -0.234 56.022 56.100 0.260 0.000 1.322 352 R CB 0.585 30.875 30.300 -0.015 0.000 1.205 352 R HN 0.730 nan 8.270 nan 0.000 0.597 353 G N 0.151 109.068 108.800 0.196 0.000 2.568 353 G HA2 0.591 4.557 3.960 0.010 0.000 0.313 353 G HA3 0.591 4.557 3.960 0.010 0.000 0.313 353 G C -1.398 173.755 174.900 0.423 0.000 1.227 353 G CA -0.481 44.683 45.100 0.108 0.000 0.979 353 G HN 0.248 nan 8.290 nan 0.000 0.486 354 V N 0.127 120.221 119.914 0.300 0.000 2.971 354 V HA 0.486 4.612 4.120 0.010 0.000 0.309 354 V C -1.089 175.128 176.094 0.204 0.000 1.130 354 V CA -1.250 61.133 62.300 0.138 0.000 0.964 354 V CB 2.222 33.782 31.823 -0.439 0.000 1.029 354 V HN 0.732 nan 8.190 nan 0.000 0.427 355 N N 4.424 123.206 118.700 0.136 0.000 2.458 355 N HA 0.355 5.101 4.740 0.010 0.000 0.270 355 N C -0.666 174.700 175.510 -0.240 0.000 1.102 355 N CA -0.134 52.895 53.050 -0.036 0.000 0.967 355 N CB 1.274 39.812 38.487 0.086 0.000 1.078 355 N HN 0.567 nan 8.380 nan 0.000 0.471 356 R N 2.209 122.528 120.500 -0.303 0.000 2.409 356 R HA 0.222 4.568 4.340 0.010 0.000 0.313 356 R C -0.837 175.225 176.300 -0.396 0.000 0.953 356 R CA -0.564 55.353 56.100 -0.306 0.000 0.849 356 R CB 0.772 30.863 30.300 -0.348 0.000 1.171 356 R HN 0.568 nan 8.270 nan 0.000 0.458 357 H N 2.280 121.195 119.070 -0.258 0.000 2.481 357 H HA 0.124 4.686 4.556 0.011 0.000 0.339 357 H C -0.436 174.884 175.328 -0.014 0.000 1.131 357 H CA -0.055 55.922 56.048 -0.119 0.000 1.301 357 H CB 1.506 31.233 29.762 -0.058 0.000 1.476 357 H HN 0.547 nan 8.280 nan 0.000 0.529 358 E N 2.449 122.818 120.200 0.282 0.000 1.932 358 E HA 0.073 4.429 4.350 0.010 0.000 0.275 358 E C -0.580 176.173 176.600 0.255 0.000 1.159 358 E CA 0.062 56.575 56.400 0.187 0.000 0.905 358 E CB 0.205 30.029 29.700 0.206 0.000 1.059 358 E HN 0.389 nan 8.360 nan 0.000 0.400 359 H N 1.756 120.893 119.070 0.113 0.000 2.771 359 H HA 0.266 4.828 4.556 0.010 0.000 0.361 359 H C -1.602 173.803 175.328 0.129 0.000 1.108 359 H CA -0.641 55.471 56.048 0.108 0.000 1.201 359 H CB 1.137 30.947 29.762 0.079 0.000 1.681 359 H HN 0.403 nan 8.280 nan 0.000 0.534 360 H N 6.040 124.747 119.070 -0.604 0.000 2.667 360 H HA 0.199 4.761 4.556 0.010 0.000 0.353 360 H C -2.223 172.733 175.328 -0.620 0.000 1.072 360 H CA -2.323 53.482 56.048 -0.406 0.000 1.214 360 H CB 2.749 32.453 29.762 -0.097 0.000 1.600 360 H HN 0.540 nan 8.280 nan 0.000 0.527 361 P HA -0.114 nan 4.420 nan 0.000 0.216 361 P C 1.343 178.532 177.300 -0.185 0.000 1.150 361 P CA 0.931 63.872 63.100 -0.265 0.000 0.837 361 P CB 0.801 32.377 31.700 -0.207 0.000 0.786 362 L N -1.969 119.220 121.223 -0.056 0.000 2.253 362 L HA 0.045 4.391 4.340 0.010 0.000 0.205 362 L C 2.288 179.006 176.870 -0.252 0.000 1.078 362 L CA 1.003 55.732 54.840 -0.185 0.000 0.805 362 L CB -0.725 41.128 42.059 -0.343 0.000 0.963 362 L HN 0.018 nan 8.230 nan 0.000 0.459 363 H N -1.027 118.081 119.070 0.064 0.000 2.622 363 H HA 0.272 4.834 4.556 0.010 0.000 0.269 363 H C 1.450 176.702 175.328 -0.127 0.000 0.977 363 H CA 0.300 56.288 56.048 -0.100 0.000 1.179 363 H CB 0.594 30.198 29.762 -0.263 0.000 1.458 363 H HN 0.353 nan 8.280 nan 0.000 0.531 364 G N 1.356 110.098 108.800 -0.097 0.000 2.609 364 G HA2 -0.386 3.580 3.960 0.010 0.000 0.288 364 G HA3 -0.386 3.580 3.960 0.010 0.000 0.288 364 G C 0.746 175.583 174.900 -0.104 0.000 1.211 364 G CA 0.427 45.415 45.100 -0.186 0.000 0.963 364 G HN 0.445 nan 8.290 nan 0.000 0.541 365 Q N -0.047 119.711 119.800 -0.070 0.000 2.198 365 Q HA 0.468 4.814 4.340 0.010 0.000 0.209 365 Q C 0.231 176.321 176.000 0.150 0.000 0.848 365 Q CA -0.098 55.695 55.803 -0.016 0.000 0.974 365 Q CB 1.587 30.189 28.738 -0.226 0.000 1.115 365 Q HN 0.362 nan 8.270 nan 0.000 0.494 366 V N 2.285 122.268 119.914 0.115 0.000 2.455 366 V HA 0.123 4.249 4.120 0.010 0.000 0.273 366 V C 0.234 176.346 176.094 0.030 0.000 1.045 366 V CA 0.236 62.599 62.300 0.104 0.000 0.976 366 V CB 0.734 32.553 31.823 -0.007 0.000 0.993 366 V HN 0.332 nan 8.190 nan 0.000 0.475 367 M N 5.669 125.286 119.600 0.028 0.000 2.318 367 M HA 0.445 4.931 4.480 0.010 0.000 0.347 367 M C -0.189 175.992 176.300 -0.198 0.000 1.175 367 M CA -0.243 55.016 55.300 -0.068 0.000 1.075 367 M CB 1.578 34.127 32.600 -0.084 0.000 1.614 367 M HN 0.839 nan 8.290 nan 0.000 0.456 368 D N 0.578 120.890 120.400 -0.145 0.000 2.490 368 D HA 0.232 4.878 4.640 0.010 0.000 0.232 368 D C 0.088 176.351 176.300 -0.061 0.000 1.053 368 D CA -0.464 53.453 54.000 -0.137 0.000 0.914 368 D CB 1.923 42.651 40.800 -0.120 0.000 1.431 368 D HN 0.680 nan 8.370 nan 0.000 0.483 369 E N 0.264 120.446 120.200 -0.031 0.000 2.038 369 E HA -0.291 4.065 4.350 0.010 0.000 0.195 369 E C 1.907 178.554 176.600 0.079 0.000 1.000 369 E CA 1.451 57.876 56.400 0.040 0.000 0.803 369 E CB 0.107 29.843 29.700 0.059 0.000 0.750 369 E HN 0.562 nan 8.360 nan 0.000 0.448 370 Q N -0.333 119.509 119.800 0.071 0.000 2.062 370 Q HA -0.214 4.132 4.340 0.010 0.000 0.209 370 Q C 2.114 178.185 176.000 0.119 0.000 0.996 370 Q CA 2.512 58.371 55.803 0.093 0.000 0.859 370 Q CB -0.179 28.611 28.738 0.087 0.000 0.920 370 Q HN 0.295 nan 8.270 nan 0.000 0.415 371 T N 0.802 115.436 114.554 0.134 0.000 2.708 371 T HA -0.152 4.205 4.350 0.010 0.000 0.266 371 T C 1.833 176.644 174.700 0.187 0.000 1.037 371 T CA 1.618 63.825 62.100 0.179 0.000 1.146 371 T CB -0.188 68.820 68.868 0.233 0.000 0.865 371 T HN 0.317 nan 8.240 nan 0.000 0.435 372 M N 0.500 120.211 119.600 0.185 0.000 2.149 372 M HA -0.112 4.374 4.480 0.010 0.000 0.261 372 M C 2.375 178.825 176.300 0.249 0.000 1.064 372 M CA 1.308 56.794 55.300 0.309 0.000 1.102 372 M CB -0.461 32.339 32.600 0.334 0.000 1.369 372 M HN 0.127 nan 8.290 nan 0.000 0.408 373 V N -0.137 119.857 119.914 0.133 0.000 2.358 373 V HA -0.276 3.850 4.120 0.010 0.000 0.246 373 V C 2.246 178.340 176.094 0.001 0.000 1.047 373 V CA 1.911 64.223 62.300 0.019 0.000 1.035 373 V CB -0.848 31.016 31.823 0.068 0.000 0.658 373 V HN 0.543 nan 8.190 nan 0.000 0.452 374 Q N -0.180 119.674 119.800 0.091 0.000 2.096 374 Q HA -0.281 4.065 4.340 0.010 0.000 0.204 374 Q C 1.965 178.068 176.000 0.171 0.000 0.982 374 Q CA 2.149 58.025 55.803 0.122 0.000 0.850 374 Q CB -0.133 28.694 28.738 0.149 0.000 0.901 374 Q HN 0.615 nan 8.270 nan 0.000 0.422 375 D N 0.233 120.764 120.400 0.217 0.000 2.097 375 D HA -0.141 4.505 4.640 0.010 0.000 0.195 375 D C 1.873 178.183 176.300 0.017 0.000 0.989 375 D CA 1.155 55.308 54.000 0.254 0.000 0.827 375 D CB -0.142 40.812 40.800 0.257 0.000 0.966 375 D HN 0.369 nan 8.370 nan 0.000 0.456 376 I N 0.347 120.888 120.570 -0.047 0.000 2.353 376 I HA -0.181 3.995 4.170 0.010 0.000 0.248 376 I C 2.362 178.353 176.117 -0.210 0.000 1.119 376 I CA 0.387 61.547 61.300 -0.234 0.000 1.417 376 I CB -0.067 37.675 38.000 -0.430 0.000 1.078 376 I HN -0.027 nan 8.210 nan 0.000 0.421 377 L N 0.272 121.403 121.223 -0.153 0.000 1.989 377 L HA -0.246 4.100 4.340 0.010 0.000 0.211 377 L C 2.554 179.497 176.870 0.123 0.000 1.071 377 L CA 1.544 56.375 54.840 -0.015 0.000 0.749 377 L CB -0.536 41.532 42.059 0.015 0.000 0.890 377 L HN 0.249 nan 8.230 nan 0.000 0.431 378 L N -1.260 120.069 121.223 0.177 0.000 2.046 378 L HA -0.242 4.104 4.340 0.010 0.000 0.208 378 L C 2.638 179.710 176.870 0.336 0.000 1.077 378 L CA 1.315 56.349 54.840 0.322 0.000 0.747 378 L CB -0.283 42.071 42.059 0.491 0.000 0.896 378 L HN 0.297 nan 8.230 nan 0.000 0.432 379 M N -0.558 119.084 119.600 0.070 0.000 2.067 379 M HA -0.242 4.244 4.480 0.010 0.000 0.260 379 M C 2.273 178.686 176.300 0.188 0.000 1.069 379 M CA 1.903 57.170 55.300 -0.055 0.000 1.117 379 M CB -0.283 32.015 32.600 -0.503 0.000 1.334 379 M HN 0.033 nan 8.290 nan 0.000 0.407 380 K N -0.245 120.158 120.400 0.005 0.000 2.209 380 K HA -0.182 4.145 4.320 0.010 0.000 0.204 380 K C 1.961 178.566 176.600 0.009 0.000 1.048 380 K CA 1.159 57.354 56.287 -0.154 0.000 0.940 380 K CB -0.163 32.065 32.500 -0.454 0.000 0.729 380 K HN 0.444 nan 8.250 nan 0.000 0.451 381 Q N 0.267 120.231 119.800 0.273 0.000 2.297 381 Q HA -0.018 4.328 4.340 0.010 0.000 0.204 381 Q C 0.665 176.954 176.000 0.481 0.000 0.962 381 Q CA 0.721 56.791 55.803 0.444 0.000 0.879 381 Q CB 0.269 29.253 28.738 0.410 0.000 0.947 381 Q HN 0.250 nan 8.270 nan 0.000 0.462 382 N N 0.746 119.675 118.700 0.381 0.000 2.321 382 N HA 0.060 4.807 4.740 0.010 0.000 0.242 382 N C -0.766 174.766 175.510 0.037 0.000 1.141 382 N CA 0.027 53.256 53.050 0.299 0.000 0.864 382 N CB 0.730 39.463 38.487 0.410 0.000 1.100 382 N HN 0.143 nan 8.380 nan 0.000 0.510 383 N N 0.265 119.027 118.700 0.104 0.000 2.747 383 N HA -0.192 4.554 4.740 0.010 0.000 0.249 383 N C -0.934 174.459 175.510 -0.195 0.000 1.107 383 N CA 0.827 53.893 53.050 0.027 0.000 0.707 383 N CB -1.763 36.635 38.487 -0.148 0.000 1.054 383 N HN 0.255 nan 8.380 nan 0.000 0.555 384 F N 1.087 121.059 119.950 0.036 0.000 2.384 384 F HA 0.295 4.828 4.527 0.010 0.000 0.338 384 F C 1.786 177.587 175.800 0.001 0.000 1.103 384 F CA -0.671 57.335 58.000 0.010 0.000 1.157 384 F CB 0.827 39.806 39.000 -0.036 0.000 1.167 384 F HN 0.058 nan 8.300 nan 0.000 0.529 385 N N 0.824 119.665 118.700 0.235 0.000 2.159 385 N HA 0.424 5.170 4.740 0.010 0.000 0.217 385 N C -0.765 174.829 175.510 0.139 0.000 1.223 385 N CA 0.035 53.159 53.050 0.124 0.000 0.896 385 N CB 0.668 39.291 38.487 0.227 0.000 1.064 385 N HN 0.460 nan 8.380 nan 0.000 0.518 386 A N -0.526 122.426 122.820 0.220 0.000 2.606 386 A HA 0.772 5.098 4.320 0.010 0.000 0.293 386 A C -1.759 176.036 177.584 0.351 0.000 1.082 386 A CA -0.717 51.508 52.037 0.313 0.000 0.685 386 A CB 1.921 21.116 19.000 0.325 0.000 1.284 386 A HN 0.202 nan 8.150 nan 0.000 0.408 387 V N 0.963 121.157 119.914 0.466 0.000 2.851 387 V HA 0.699 4.825 4.120 0.010 0.000 0.307 387 V C -0.740 175.476 176.094 0.204 0.000 1.129 387 V CA -0.645 61.858 62.300 0.340 0.000 0.932 387 V CB 1.869 33.834 31.823 0.235 0.000 1.024 387 V HN 1.040 nan 8.190 nan 0.000 0.426 388 R N 4.823 125.290 120.500 -0.055 0.000 2.294 388 R HA 0.450 4.796 4.340 0.010 0.000 0.319 388 R C -0.541 175.609 176.300 -0.250 0.000 0.984 388 R CA -0.495 55.394 56.100 -0.353 0.000 0.861 388 R CB 1.035 30.940 30.300 -0.658 0.000 1.104 388 R HN 0.822 nan 8.270 nan 0.000 0.451 389 C N 4.220 123.401 119.300 -0.199 0.000 3.183 389 C HA 0.085 4.551 4.460 0.010 0.000 0.545 389 C C 0.636 175.366 174.990 -0.434 0.000 1.044 389 C CA -0.354 58.508 59.018 -0.260 0.000 1.117 389 C CB -2.109 25.593 27.740 -0.063 0.000 1.393 389 C HN 0.674 nan 8.230 nan 0.000 0.611 390 S N 1.256 116.575 115.700 -0.635 0.000 2.455 390 S HA 0.222 4.698 4.470 0.010 0.000 0.278 390 S C -0.184 173.481 174.600 -1.558 0.000 1.216 390 S CA 0.029 57.613 58.200 -1.026 0.000 1.055 390 S CB 0.135 62.726 63.200 -1.016 0.000 0.939 390 S HN 0.704 nan 8.310 nan 0.000 0.494 391 H N 3.982 122.420 119.070 -1.054 0.000 2.379 391 H HA 0.337 4.900 4.556 0.010 0.000 0.229 391 H C -1.180 174.031 175.328 -0.195 0.000 1.423 391 H CA -0.358 55.451 56.048 -0.398 0.000 1.375 391 H CB -0.170 29.561 29.762 -0.052 0.000 1.592 391 H HN 0.882 nan 8.280 nan 0.000 0.507 392 Y N -2.640 117.754 120.300 0.157 0.000 2.687 392 Y HA 0.384 4.940 4.550 0.011 0.000 0.338 392 Y C -3.297 172.707 175.900 0.174 0.000 1.189 392 Y CA -3.194 55.009 58.100 0.172 0.000 1.097 392 Y CB 0.030 38.597 38.460 0.178 0.000 1.342 392 Y HN -0.059 nan 8.280 nan 0.000 0.461 393 P HA 0.116 nan 4.420 nan 0.000 0.265 393 P C -0.603 176.979 177.300 0.469 0.000 1.193 393 P CA 0.376 63.722 63.100 0.410 0.000 0.765 393 P CB 0.598 32.469 31.700 0.285 0.000 0.823 394 N N 0.748 119.743 118.700 0.491 0.000 2.405 394 N HA 0.098 4.844 4.740 0.010 0.000 0.269 394 N C -0.004 175.738 175.510 0.386 0.000 1.249 394 N CA -0.376 52.879 53.050 0.342 0.000 0.974 394 N CB -0.027 38.450 38.487 -0.018 0.000 1.204 394 N HN 0.470 nan 8.380 nan 0.000 0.565 395 H N 1.818 121.005 119.070 0.194 0.000 3.001 395 H HA -0.008 4.554 4.556 0.010 0.000 0.334 395 H C -1.466 174.047 175.328 0.308 0.000 1.034 395 H CA -0.714 55.441 56.048 0.177 0.000 1.420 395 H CB 0.872 30.705 29.762 0.119 0.000 1.405 395 H HN 0.378 nan 8.280 nan 0.000 0.593 396 P HA -0.212 nan 4.420 nan 0.000 0.216 396 P C 1.734 179.297 177.300 0.439 0.000 1.150 396 P CA 0.665 63.941 63.100 0.293 0.000 0.843 396 P CB 0.245 31.981 31.700 0.060 0.000 0.787 397 L N -1.099 120.448 121.223 0.539 0.000 2.275 397 L HA -0.037 4.309 4.340 0.010 0.000 0.215 397 L C 2.308 179.368 176.870 0.318 0.000 1.119 397 L CA 1.239 56.325 54.840 0.409 0.000 0.790 397 L CB -1.494 40.793 42.059 0.381 0.000 0.919 397 L HN 0.047 nan 8.230 nan 0.000 0.443 398 W N -0.595 120.777 121.300 0.119 0.000 2.355 398 W HA -0.297 4.369 4.660 0.010 0.000 0.309 398 W C 2.056 178.471 176.519 -0.173 0.000 1.206 398 W CA 1.729 59.020 57.345 -0.089 0.000 1.284 398 W CB -0.386 28.927 29.460 -0.244 0.000 1.145 398 W HN 0.247 nan 8.180 nan 0.000 0.502 399 Y N 0.906 121.162 120.300 -0.074 0.000 2.242 399 Y HA -0.208 4.348 4.550 0.010 0.000 0.291 399 Y C 2.864 178.519 175.900 -0.409 0.000 1.137 399 Y CA 2.175 60.020 58.100 -0.425 0.000 1.181 399 Y CB -1.196 36.742 38.460 -0.870 0.000 0.989 399 Y HN -0.218 nan 8.280 nan 0.000 0.527 400 T N 0.592 115.134 114.554 -0.020 0.000 2.746 400 T HA -0.159 4.197 4.350 0.010 0.000 0.267 400 T C 2.018 176.742 174.700 0.040 0.000 1.039 400 T CA 1.345 63.512 62.100 0.112 0.000 1.142 400 T CB -0.531 68.459 68.868 0.204 0.000 0.866 400 T HN 0.226 nan 8.240 nan 0.000 0.444 401 L N 0.388 121.599 121.223 -0.020 0.000 2.017 401 L HA -0.117 4.230 4.340 0.010 0.000 0.208 401 L C 2.912 179.757 176.870 -0.042 0.000 1.073 401 L CA 1.005 55.848 54.840 0.005 0.000 0.745 401 L CB -0.684 41.353 42.059 -0.036 0.000 0.894 401 L HN 0.382 nan 8.230 nan 0.000 0.432 402 C N -0.177 118.954 119.300 -0.283 0.000 2.425 402 C HA -0.162 4.304 4.460 0.010 0.000 0.277 402 C C 2.394 177.436 174.990 0.087 0.000 1.280 402 C CA 0.451 59.343 59.018 -0.211 0.000 1.744 402 C CB -0.880 26.636 27.740 -0.373 0.000 1.989 402 C HN 0.549 nan 8.230 nan 0.000 0.491 403 D N 0.413 120.857 120.400 0.073 0.000 2.133 403 D HA -0.125 4.522 4.640 0.010 0.000 0.195 403 D C 2.392 178.883 176.300 0.318 0.000 0.997 403 D CA 1.346 55.447 54.000 0.168 0.000 0.840 403 D CB -0.321 40.532 40.800 0.089 0.000 0.947 403 D HN 0.551 nan 8.370 nan 0.000 0.452 404 R N -1.208 119.370 120.500 0.130 0.000 2.075 404 R HA 0.029 4.375 4.340 0.010 0.000 0.220 404 R C 2.291 178.545 176.300 -0.076 0.000 1.118 404 R CA 0.509 56.613 56.100 0.006 0.000 0.986 404 R CB -0.217 29.999 30.300 -0.140 0.000 0.884 404 R HN 0.245 nan 8.270 nan 0.000 0.439 405 Y N -0.012 120.297 120.300 0.014 0.000 2.243 405 Y HA 0.165 4.721 4.550 0.010 0.000 0.293 405 Y C 1.072 176.894 175.900 -0.129 0.000 1.124 405 Y CA 1.126 59.206 58.100 -0.032 0.000 1.159 405 Y CB 0.316 38.734 38.460 -0.070 0.000 1.008 405 Y HN 0.263 nan 8.280 nan 0.000 0.527 406 G N 0.544 109.357 108.800 0.022 0.000 2.768 406 G HA2 0.002 3.968 3.960 0.010 0.000 0.666 406 G HA3 0.002 3.968 3.960 0.010 0.000 0.666 406 G C -1.368 173.363 174.900 -0.283 0.000 1.162 406 G CA -0.742 44.237 45.100 -0.201 0.000 1.226 406 G HN 0.142 nan 8.290 nan 0.000 0.535 407 L N 1.762 122.890 121.223 -0.160 0.000 2.505 407 L HA 0.412 4.758 4.340 0.010 0.000 0.266 407 L C -0.441 176.436 176.870 0.011 0.000 0.954 407 L CA -1.290 53.438 54.840 -0.187 0.000 0.852 407 L CB 1.808 43.781 42.059 -0.142 0.000 1.282 407 L HN 0.424 nan 8.230 nan 0.000 0.403 408 Y N 2.499 122.930 120.300 0.219 0.000 2.569 408 Y HA 0.238 4.795 4.550 0.012 0.000 0.332 408 Y C 0.381 176.412 175.900 0.219 0.000 1.120 408 Y CA -0.367 57.892 58.100 0.266 0.000 1.416 408 Y CB 0.405 38.998 38.460 0.222 0.000 1.210 408 Y HN 0.136 nan 8.280 nan 0.000 0.528 409 V N 4.655 124.753 119.914 0.307 0.000 2.435 409 V HA 0.332 4.459 4.120 0.010 0.000 0.290 409 V C -0.290 175.886 176.094 0.138 0.000 1.030 409 V CA -1.093 61.330 62.300 0.204 0.000 0.881 409 V CB 1.768 33.680 31.823 0.149 0.000 0.983 409 V HN 0.467 nan 8.190 nan 0.000 0.445 410 V N 3.639 123.602 119.914 0.081 0.000 2.334 410 V HA 0.283 4.409 4.120 0.010 0.000 0.267 410 V C -0.167 175.951 176.094 0.040 0.000 1.040 410 V CA -0.295 61.999 62.300 -0.010 0.000 0.866 410 V CB 1.254 32.957 31.823 -0.200 0.000 1.019 410 V HN 0.864 nan 8.190 nan 0.000 0.468 411 D N 4.292 124.756 120.400 0.106 0.000 2.249 411 D HA 0.310 4.956 4.640 0.010 0.000 0.246 411 D C -0.220 176.264 176.300 0.307 0.000 1.114 411 D CA -0.084 54.072 54.000 0.261 0.000 0.854 411 D CB 1.320 42.318 40.800 0.331 0.000 1.132 411 D HN 0.678 nan 8.370 nan 0.000 0.461 412 E N 1.944 122.296 120.200 0.253 0.000 2.199 412 E HA 0.603 4.959 4.350 0.010 0.000 0.265 412 E C -0.928 175.813 176.600 0.235 0.000 0.882 412 E CA -1.031 55.503 56.400 0.223 0.000 0.759 412 E CB 1.333 31.117 29.700 0.139 0.000 1.148 412 E HN 0.469 nan 8.360 nan 0.000 0.412 413 A N 3.867 126.820 122.820 0.222 0.000 2.507 413 A HA 0.004 4.330 4.320 0.010 0.000 0.235 413 A C 0.379 178.086 177.584 0.205 0.000 1.070 413 A CA -0.087 52.059 52.037 0.181 0.000 0.768 413 A CB 0.104 19.177 19.000 0.122 0.000 1.011 413 A HN 0.714 nan 8.150 nan 0.000 0.502 414 N N 0.878 119.703 118.700 0.208 0.000 3.178 414 N HA 0.291 5.037 4.740 0.010 0.000 0.300 414 N C -1.046 174.585 175.510 0.201 0.000 1.242 414 N CA 0.136 53.337 53.050 0.252 0.000 1.192 414 N CB -0.788 37.855 38.487 0.260 0.000 1.463 414 N HN 0.469 nan 8.380 nan 0.000 0.539 415 I N 1.256 121.937 120.570 0.185 0.000 2.493 415 I HA 0.282 4.458 4.170 0.010 0.000 0.279 415 I C -0.990 175.220 176.117 0.156 0.000 1.045 415 I CA -0.848 60.545 61.300 0.154 0.000 1.106 415 I CB 1.666 39.728 38.000 0.104 0.000 1.216 415 I HN -0.165 nan 8.210 nan 0.000 0.459 416 V N 4.203 124.206 119.914 0.149 0.000 2.524 416 V HA 0.360 4.486 4.120 0.010 0.000 0.297 416 V C 0.398 176.557 176.094 0.108 0.000 1.035 416 V CA -0.419 61.941 62.300 0.101 0.000 0.867 416 V CB 2.029 33.891 31.823 0.066 0.000 1.004 416 V HN 0.808 nan 8.190 nan 0.000 0.426 417 T N -1.170 113.451 114.554 0.110 0.000 3.374 417 T HA 0.205 4.561 4.350 0.010 0.000 0.267 417 T C 0.997 175.777 174.700 0.134 0.000 0.996 417 T CA -0.131 62.062 62.100 0.155 0.000 0.977 417 T CB -0.524 68.406 68.868 0.102 0.000 1.149 417 T HN 0.709 nan 8.240 nan 0.000 0.517 418 H N 1.083 120.089 119.070 -0.106 0.000 2.422 418 H HA -0.026 4.537 4.556 0.010 0.000 0.298 418 H C 2.069 177.306 175.328 -0.152 0.000 1.098 418 H CA 1.145 57.099 56.048 -0.156 0.000 1.315 418 H CB -0.065 29.560 29.762 -0.228 0.000 1.382 418 H HN 0.602 nan 8.280 nan 0.000 0.523 419 G N 0.209 108.890 108.800 -0.198 0.000 3.233 419 G HA2 0.083 4.049 3.960 0.010 0.000 0.227 419 G HA3 0.083 4.049 3.960 0.010 0.000 0.227 419 G C 0.299 175.318 174.900 0.197 0.000 1.175 419 G CA -0.350 44.678 45.100 -0.120 0.000 0.781 419 G HN 0.092 nan 8.290 nan 0.000 0.542 420 M N 0.691 120.414 119.600 0.206 0.000 2.241 420 M HA 0.337 4.823 4.480 0.010 0.000 0.335 420 M C -0.414 175.892 176.300 0.009 0.000 1.122 420 M CA -0.520 54.840 55.300 0.100 0.000 1.164 420 M CB 1.501 34.132 32.600 0.051 0.000 1.459 420 M HN -0.198 nan 8.290 nan 0.000 0.461 421 V N 4.389 124.293 119.914 -0.016 0.000 2.398 421 V HA 0.346 4.473 4.120 0.010 0.000 0.282 421 V C -1.941 174.135 176.094 -0.031 0.000 1.014 421 V CA -1.255 61.026 62.300 -0.033 0.000 0.838 421 V CB 1.419 33.218 31.823 -0.041 0.000 1.018 421 V HN 0.730 nan 8.190 nan 0.000 0.432 422 P HA 0.278 nan 4.420 nan 0.000 0.279 422 P C 0.968 178.264 177.300 -0.007 0.000 1.282 422 P CA -0.589 62.499 63.100 -0.019 0.000 0.788 422 P CB 1.194 32.889 31.700 -0.009 0.000 1.139 423 M N 0.398 120.004 119.600 0.010 0.000 2.358 423 M HA -0.127 4.359 4.480 0.010 0.000 0.264 423 M C 1.127 177.461 176.300 0.056 0.000 1.064 423 M CA 1.496 56.821 55.300 0.042 0.000 1.093 423 M CB -0.382 32.257 32.600 0.065 0.000 1.401 423 M HN 0.355 nan 8.290 nan 0.000 0.440 424 N N -0.251 118.477 118.700 0.047 0.000 2.279 424 N HA -0.041 4.705 4.740 0.010 0.000 0.226 424 N C 1.079 176.575 175.510 -0.023 0.000 1.126 424 N CA -0.033 53.046 53.050 0.048 0.000 0.846 424 N CB -0.553 37.988 38.487 0.090 0.000 1.050 424 N HN 0.368 nan 8.380 nan 0.000 0.502 425 R N 0.448 120.916 120.500 -0.054 0.000 2.096 425 R HA 0.063 4.410 4.340 0.010 0.000 0.235 425 R C 1.442 177.641 176.300 -0.169 0.000 1.127 425 R CA 1.029 57.074 56.100 -0.092 0.000 0.968 425 R CB 0.045 30.289 30.300 -0.094 0.000 0.861 425 R HN 0.239 nan 8.270 nan 0.000 0.440 426 L N -0.418 120.640 121.223 -0.275 0.000 2.168 426 L HA -0.010 4.336 4.340 0.010 0.000 0.203 426 L C 2.450 179.169 176.870 -0.253 0.000 1.078 426 L CA 1.394 55.934 54.840 -0.500 0.000 0.780 426 L CB -0.514 41.006 42.059 -0.898 0.000 0.939 426 L HN 0.355 nan 8.230 nan 0.000 0.451 427 T N -4.527 109.917 114.554 -0.183 0.000 3.035 427 T HA -0.137 4.219 4.350 0.010 0.000 0.268 427 T C 1.306 175.914 174.700 -0.154 0.000 1.109 427 T CA 1.035 63.014 62.100 -0.201 0.000 1.119 427 T CB -0.151 68.561 68.868 -0.259 0.000 0.900 427 T HN 0.097 nan 8.240 nan 0.000 0.503 428 D N 1.114 121.460 120.400 -0.090 0.000 2.354 428 D HA 0.058 4.704 4.640 0.010 0.000 0.209 428 D C 0.110 176.391 176.300 -0.032 0.000 1.015 428 D CA -0.002 53.959 54.000 -0.064 0.000 0.867 428 D CB -0.169 40.607 40.800 -0.040 0.000 0.933 428 D HN 0.310 nan 8.370 nan 0.000 0.520 429 D N 0.102 120.496 120.400 -0.009 0.000 2.316 429 D HA 0.055 4.701 4.640 0.010 0.000 0.245 429 D C -1.604 174.747 176.300 0.084 0.000 1.171 429 D CA -1.880 52.156 54.000 0.061 0.000 0.856 429 D CB 1.848 42.733 40.800 0.142 0.000 1.090 429 D HN 0.063 nan 8.370 nan 0.000 0.476 430 P HA -0.081 nan 4.420 nan 0.000 0.226 430 P C 0.933 178.237 177.300 0.006 0.000 1.153 430 P CA 0.567 63.675 63.100 0.014 0.000 0.777 430 P CB 0.406 32.105 31.700 -0.002 0.000 0.794 431 R N -1.764 118.748 120.500 0.020 0.000 2.235 431 R HA -0.030 4.316 4.340 0.010 0.000 0.213 431 R C 1.390 177.587 176.300 -0.170 0.000 1.059 431 R CA 0.918 56.972 56.100 -0.077 0.000 0.997 431 R CB -0.412 29.832 30.300 -0.094 0.000 0.884 431 R HN 0.308 nan 8.270 nan 0.000 0.462 432 W N -0.144 121.100 121.300 -0.094 0.000 3.220 432 W HA 0.139 4.805 4.660 0.010 0.000 0.328 432 W C 1.420 177.878 176.519 -0.102 0.000 1.205 432 W CA -0.472 56.815 57.345 -0.096 0.000 1.773 432 W CB 0.160 29.561 29.460 -0.098 0.000 1.086 432 W HN 0.006 nan 8.180 nan 0.000 0.622 433 L N 2.004 123.257 121.223 0.049 0.000 2.027 433 L HA -0.000 4.346 4.340 0.010 0.000 0.206 433 L C -0.610 176.223 176.870 -0.061 0.000 1.074 433 L CA 2.154 56.982 54.840 -0.021 0.000 0.745 433 L CB -1.626 40.408 42.059 -0.041 0.000 0.898 433 L HN -0.239 nan 8.230 nan 0.000 0.433 434 P HA -0.196 nan 4.420 nan 0.000 0.214 434 P C 1.596 178.841 177.300 -0.091 0.000 1.163 434 P CA 2.254 65.291 63.100 -0.104 0.000 0.889 434 P CB -0.239 31.389 31.700 -0.121 0.000 0.790 435 A N -1.289 121.489 122.820 -0.070 0.000 1.933 435 A HA -0.202 4.124 4.320 0.010 0.000 0.218 435 A C 2.253 179.851 177.584 0.023 0.000 1.175 435 A CA 1.965 53.994 52.037 -0.013 0.000 0.628 435 A CB -1.441 17.573 19.000 0.023 0.000 0.814 435 A HN 0.118 nan 8.150 nan 0.000 0.444 436 M N 0.203 119.819 119.600 0.028 0.000 2.132 436 M HA -0.143 4.343 4.480 0.010 0.000 0.263 436 M C 2.560 178.806 176.300 -0.091 0.000 1.065 436 M CA 1.741 57.035 55.300 -0.010 0.000 1.122 436 M CB -0.348 32.228 32.600 -0.039 0.000 1.365 436 M HN 0.656 nan 8.290 nan 0.000 0.411 437 S N 0.232 115.844 115.700 -0.146 0.000 2.383 437 S HA -0.188 4.288 4.470 0.010 0.000 0.229 437 S C 1.594 176.015 174.600 -0.299 0.000 1.030 437 S CA 1.483 59.524 58.200 -0.266 0.000 1.002 437 S CB -0.696 62.324 63.200 -0.300 0.000 0.829 437 S HN 0.521 nan 8.310 nan 0.000 0.467 438 E N 1.042 121.122 120.200 -0.200 0.000 2.150 438 E HA -0.042 4.314 4.350 0.010 0.000 0.193 438 E C 2.362 178.883 176.600 -0.132 0.000 0.985 438 E CA 0.733 57.029 56.400 -0.173 0.000 0.814 438 E CB -0.111 29.522 29.700 -0.112 0.000 0.752 438 E HN 0.533 nan 8.360 nan 0.000 0.466 439 R N -0.049 120.401 120.500 -0.083 0.000 2.189 439 R HA -0.053 4.294 4.340 0.010 0.000 0.218 439 R C 2.092 178.362 176.300 -0.050 0.000 1.074 439 R CA 0.527 56.611 56.100 -0.026 0.000 0.991 439 R CB 0.186 30.506 30.300 0.034 0.000 0.883 439 R HN 0.021 nan 8.270 nan 0.000 0.457 440 V N -0.234 119.600 119.914 -0.134 0.000 2.492 440 V HA -0.150 3.976 4.120 0.010 0.000 0.241 440 V C 2.383 178.316 176.094 -0.269 0.000 1.041 440 V CA 1.974 64.175 62.300 -0.164 0.000 1.057 440 V CB -0.076 31.640 31.823 -0.177 0.000 0.711 440 V HN 0.490 nan 8.190 nan 0.000 0.468 441 T N -0.387 113.882 114.554 -0.475 0.000 2.701 441 T HA -0.236 4.120 4.350 0.010 0.000 0.263 441 T C 1.948 176.522 174.700 -0.210 0.000 1.040 441 T CA 1.387 63.138 62.100 -0.582 0.000 1.147 441 T CB -0.446 67.926 68.868 -0.827 0.000 0.865 441 T HN 0.368 nan 8.240 nan 0.000 0.426 442 R N 0.352 120.742 120.500 -0.183 0.000 2.189 442 R HA 0.180 4.526 4.340 0.010 0.000 0.223 442 R C 2.607 178.847 176.300 -0.099 0.000 1.092 442 R CA 1.206 57.231 56.100 -0.124 0.000 0.989 442 R CB -0.472 29.757 30.300 -0.118 0.000 0.876 442 R HN 0.501 nan 8.270 nan 0.000 0.457 443 M N 0.520 120.071 119.600 -0.082 0.000 2.064 443 M HA -0.150 4.336 4.480 0.010 0.000 0.260 443 M C 1.928 178.190 176.300 -0.063 0.000 1.073 443 M CA 1.701 56.985 55.300 -0.026 0.000 1.124 443 M CB 0.040 32.663 32.600 0.038 0.000 1.326 443 M HN -0.015 nan 8.290 nan 0.000 0.410 444 V N 1.087 120.865 119.914 -0.226 0.000 2.287 444 V HA -0.323 3.803 4.120 0.010 0.000 0.248 444 V C 2.279 178.302 176.094 -0.118 0.000 1.053 444 V CA 2.168 64.213 62.300 -0.426 0.000 1.027 444 V CB -1.012 30.514 31.823 -0.494 0.000 0.646 444 V HN 0.598 nan 8.190 nan 0.000 0.447 445 Q N -0.800 118.965 119.800 -0.059 0.000 2.181 445 Q HA -0.233 4.113 4.340 0.010 0.000 0.205 445 Q C 2.480 178.425 176.000 -0.091 0.000 0.980 445 Q CA 1.636 57.420 55.803 -0.031 0.000 0.862 445 Q CB -0.191 28.537 28.738 -0.017 0.000 0.905 445 Q HN 0.532 nan 8.270 nan 0.000 0.429 446 R N 0.161 120.592 120.500 -0.114 0.000 2.080 446 R HA -0.089 4.257 4.340 0.010 0.000 0.222 446 R C 0.516 176.745 176.300 -0.117 0.000 1.107 446 R CA 1.345 57.344 56.100 -0.169 0.000 0.980 446 R CB 0.431 30.626 30.300 -0.174 0.000 0.879 446 R HN 0.174 nan 8.270 nan 0.000 0.439 447 D N -0.463 119.936 120.400 -0.002 0.000 2.441 447 D HA -0.004 4.642 4.640 0.010 0.000 0.210 447 D C 1.344 177.752 176.300 0.180 0.000 1.102 447 D CA 0.096 54.133 54.000 0.062 0.000 0.840 447 D CB 0.233 40.977 40.800 -0.093 0.000 0.990 447 D HN 0.343 nan 8.370 nan 0.000 0.505 448 R N 0.801 121.449 120.500 0.247 0.000 2.249 448 R HA -0.020 4.326 4.340 0.010 0.000 0.230 448 R C 0.926 177.259 176.300 0.056 0.000 1.121 448 R CA 0.947 57.223 56.100 0.294 0.000 0.997 448 R CB -0.301 30.121 30.300 0.204 0.000 0.867 448 R HN -0.074 nan 8.270 nan 0.000 0.465 449 N N 0.196 118.845 118.700 -0.086 0.000 2.422 449 N HA -0.019 4.728 4.740 0.010 0.000 0.181 449 N C -0.336 175.059 175.510 -0.193 0.000 1.080 449 N CA 0.371 53.322 53.050 -0.165 0.000 0.893 449 N CB 0.015 38.342 38.487 -0.266 0.000 0.973 449 N HN 0.290 nan 8.380 nan 0.000 0.456 450 H N 1.462 120.479 119.070 -0.089 0.000 2.899 450 H HA 0.064 4.626 4.556 0.010 0.000 0.303 450 H C -1.165 174.026 175.328 -0.229 0.000 1.042 450 H CA -1.083 54.892 56.048 -0.121 0.000 1.479 450 H CB 1.244 30.969 29.762 -0.061 0.000 1.493 450 H HN 0.115 nan 8.280 nan 0.000 0.534 451 P HA -0.156 nan 4.420 nan 0.000 0.218 451 P C 1.464 178.286 177.300 -0.796 0.000 1.149 451 P CA 1.231 63.984 63.100 -0.578 0.000 0.817 451 P CB 0.284 31.424 31.700 -0.933 0.000 0.785 452 S N -0.619 114.697 115.700 -0.640 0.000 2.399 452 S HA -0.048 4.428 4.470 0.010 0.000 0.231 452 S C 1.144 175.731 174.600 -0.023 0.000 1.022 452 S CA 0.420 58.432 58.200 -0.313 0.000 0.983 452 S CB -1.554 61.621 63.200 -0.041 0.000 0.803 452 S HN -0.061 nan 8.310 nan 0.000 0.480 453 V N 3.696 123.573 119.914 -0.062 0.000 2.446 453 V HA 0.199 4.325 4.120 0.010 0.000 0.276 453 V C 1.133 177.113 176.094 -0.190 0.000 1.030 453 V CA 0.194 62.427 62.300 -0.111 0.000 1.033 453 V CB 0.284 31.967 31.823 -0.234 0.000 0.993 453 V HN 0.646 nan 8.190 nan 0.000 0.477 454 I N 2.750 123.257 120.570 -0.105 0.000 4.139 454 I HA 0.492 4.668 4.170 0.010 0.000 0.320 454 I C 0.418 176.434 176.117 -0.169 0.000 1.290 454 I CA 0.494 61.744 61.300 -0.083 0.000 1.253 454 I CB 0.540 38.584 38.000 0.074 0.000 1.122 454 I HN 0.307 nan 8.210 nan 0.000 0.421 455 I N 0.505 120.959 120.570 -0.194 0.000 2.533 455 I HA 0.359 4.535 4.170 0.010 0.000 0.290 455 I C -1.443 174.575 176.117 -0.164 0.000 1.056 455 I CA -0.448 60.771 61.300 -0.134 0.000 1.057 455 I CB 1.859 39.869 38.000 0.016 0.000 1.240 455 I HN 0.040 nan 8.210 nan 0.000 0.423 456 W N 4.103 125.461 121.300 0.097 0.000 2.381 456 W HA 0.598 5.263 4.660 0.008 0.000 0.329 456 W C 0.492 177.082 176.519 0.119 0.000 1.157 456 W CA -0.525 56.884 57.345 0.106 0.000 1.240 456 W CB 1.451 30.971 29.460 0.100 0.000 1.199 456 W HN 0.309 nan 8.180 nan 0.000 0.579 457 S N 2.365 118.301 115.700 0.394 0.000 2.521 457 S HA 0.410 4.886 4.470 0.010 0.000 0.295 457 S C 0.069 174.839 174.600 0.284 0.000 1.098 457 S CA -0.713 57.665 58.200 0.297 0.000 0.999 457 S CB 0.799 64.123 63.200 0.208 0.000 1.034 457 S HN 0.568 nan 8.310 nan 0.000 0.483 458 L N 4.165 125.552 121.223 0.272 0.000 2.627 458 L HA 0.370 4.716 4.340 0.010 0.000 0.233 458 L C 1.343 178.284 176.870 0.120 0.000 1.144 458 L CA 0.523 55.447 54.840 0.141 0.000 0.892 458 L CB -0.995 41.063 42.059 -0.000 0.000 1.039 458 L HN 0.993 nan 8.230 nan 0.000 0.442 459 G N 0.061 109.010 108.800 0.249 0.000 2.306 459 G HA2 -0.143 3.823 3.960 0.010 0.000 0.262 459 G HA3 -0.143 3.823 3.960 0.010 0.000 0.262 459 G C -1.541 173.537 174.900 0.296 0.000 1.263 459 G CA -0.604 44.644 45.100 0.247 0.000 1.088 459 G HN 0.179 nan 8.290 nan 0.000 0.489 460 N N 0.205 119.004 118.700 0.165 0.000 2.371 460 N HA 0.481 5.227 4.740 0.010 0.000 0.280 460 N C -0.672 174.751 175.510 -0.144 0.000 1.084 460 N CA 0.162 53.147 53.050 -0.109 0.000 0.892 460 N CB 1.549 39.647 38.487 -0.648 0.000 1.653 460 N HN 0.944 nan 8.380 nan 0.000 0.480 461 E N 1.003 121.078 120.200 -0.209 0.000 2.273 461 E HA -0.163 4.193 4.350 0.010 0.000 0.177 461 E C -0.894 175.714 176.600 0.013 0.000 1.511 461 E CA 0.782 57.051 56.400 -0.218 0.000 0.675 461 E CB -1.311 28.030 29.700 -0.597 0.000 1.094 461 E HN 0.463 nan 8.360 nan 0.000 0.348 462 S N 0.142 115.955 115.700 0.188 0.000 3.021 462 S HA 0.420 4.896 4.470 0.010 0.000 0.252 462 S C 0.645 175.437 174.600 0.319 0.000 0.996 462 S CA -0.186 58.172 58.200 0.264 0.000 1.084 462 S CB 1.386 64.791 63.200 0.341 0.000 1.021 462 S HN 0.906 nan 8.310 nan 0.000 0.566 463 G N 2.026 110.956 108.800 0.216 0.000 2.633 463 G HA2 -0.271 3.695 3.960 0.010 0.000 0.263 463 G HA3 -0.271 3.695 3.960 0.010 0.000 0.263 463 G C -0.546 174.549 174.900 0.325 0.000 1.310 463 G CA -0.164 45.053 45.100 0.196 0.000 0.914 463 G HN 0.608 nan 8.290 nan 0.000 0.569 464 H N 0.753 119.936 119.070 0.188 0.000 2.587 464 H HA 0.581 5.143 4.556 0.010 0.000 0.325 464 H C 0.397 175.881 175.328 0.259 0.000 1.012 464 H CA 0.075 56.268 56.048 0.243 0.000 1.213 464 H CB 0.710 30.559 29.762 0.144 0.000 1.431 464 H HN 0.999 nan 8.280 nan 0.000 0.492 465 G N 1.610 110.409 108.800 -0.000 0.000 2.537 465 G HA2 0.440 4.406 3.960 0.010 0.000 0.308 465 G HA3 0.440 4.406 3.960 0.010 0.000 0.308 465 G C 0.563 175.277 174.900 -0.310 0.000 1.237 465 G CA -0.125 44.871 45.100 -0.173 0.000 0.968 465 G HN 0.683 nan 8.290 nan 0.000 0.481 466 A N 0.486 123.189 122.820 -0.196 0.000 2.024 466 A HA -0.101 4.225 4.320 0.010 0.000 0.220 466 A C 2.115 179.646 177.584 -0.088 0.000 1.164 466 A CA 1.822 53.788 52.037 -0.118 0.000 0.643 466 A CB -0.391 18.576 19.000 -0.055 0.000 0.806 466 A HN 0.534 nan 8.150 nan 0.000 0.451 467 N N -0.326 118.289 118.700 -0.142 0.000 2.223 467 N HA -0.137 4.609 4.740 0.010 0.000 0.185 467 N C 1.352 176.757 175.510 -0.175 0.000 1.016 467 N CA 1.609 54.562 53.050 -0.163 0.000 0.863 467 N CB -0.627 37.732 38.487 -0.214 0.000 0.983 467 N HN 0.785 nan 8.380 nan 0.000 0.429 468 H N 0.155 119.159 119.070 -0.111 0.000 2.389 468 H HA -0.007 4.555 4.556 0.010 0.000 0.299 468 H C 1.229 176.593 175.328 0.059 0.000 1.081 468 H CA 1.114 57.107 56.048 -0.091 0.000 1.345 468 H CB 0.242 29.929 29.762 -0.125 0.000 1.393 468 H HN 0.174 nan 8.280 nan 0.000 0.520 469 D N 0.371 120.878 120.400 0.177 0.000 2.084 469 D HA -0.102 4.544 4.640 0.010 0.000 0.196 469 D C 2.372 178.808 176.300 0.227 0.000 0.985 469 D CA 1.170 55.302 54.000 0.220 0.000 0.826 469 D CB -0.519 40.379 40.800 0.163 0.000 0.978 469 D HN 0.384 nan 8.370 nan 0.000 0.456 470 A N 0.993 123.893 122.820 0.132 0.000 1.892 470 A HA -0.178 4.148 4.320 0.010 0.000 0.218 470 A C 2.438 180.116 177.584 0.157 0.000 1.188 470 A CA 1.244 53.352 52.037 0.119 0.000 0.631 470 A CB -0.911 18.119 19.000 0.049 0.000 0.822 470 A HN 0.212 nan 8.150 nan 0.000 0.447 471 L N -2.313 118.986 121.223 0.126 0.000 2.072 471 L HA -0.149 4.197 4.340 0.010 0.000 0.205 471 L C 2.580 179.587 176.870 0.228 0.000 1.079 471 L CA 1.617 56.536 54.840 0.133 0.000 0.752 471 L CB -0.693 41.381 42.059 0.025 0.000 0.906 471 L HN 0.625 nan 8.230 nan 0.000 0.436 472 Y N 1.265 121.643 120.300 0.130 0.000 2.081 472 Y HA -0.383 4.172 4.550 0.007 0.000 0.280 472 Y C 2.827 178.804 175.900 0.127 0.000 1.163 472 Y CA 2.024 60.207 58.100 0.137 0.000 1.135 472 Y CB -0.234 38.312 38.460 0.144 0.000 0.970 472 Y HN -0.027 nan 8.280 nan 0.000 0.498 473 R N -0.096 120.476 120.500 0.120 0.000 2.091 473 R HA -0.239 4.107 4.340 0.010 0.000 0.238 473 R C 2.086 178.364 176.300 -0.037 0.000 1.136 473 R CA 2.119 58.215 56.100 -0.007 0.000 0.959 473 R CB -1.543 28.842 30.300 0.141 0.000 0.856 473 R HN 0.682 nan 8.270 nan 0.000 0.437 474 W N 0.578 121.822 121.300 -0.094 0.000 2.338 474 W HA -0.157 4.510 4.660 0.011 0.000 0.304 474 W C 1.619 178.034 176.519 -0.172 0.000 1.212 474 W CA 2.136 59.413 57.345 -0.112 0.000 1.264 474 W CB -0.177 29.227 29.460 -0.095 0.000 1.142 474 W HN 0.120 nan 8.180 nan 0.000 0.512 475 I N 0.567 121.111 120.570 -0.043 0.000 2.315 475 I HA -0.282 3.894 4.170 0.010 0.000 0.248 475 I C 2.353 178.255 176.117 -0.357 0.000 1.117 475 I CA 1.056 62.179 61.300 -0.295 0.000 1.404 475 I CB -0.791 37.105 38.000 -0.173 0.000 1.071 475 I HN -0.145 nan 8.210 nan 0.000 0.419 476 K N 0.595 120.789 120.400 -0.342 0.000 2.097 476 K HA -0.127 4.199 4.320 0.010 0.000 0.206 476 K C 2.334 178.777 176.600 -0.262 0.000 1.049 476 K CA 1.371 57.477 56.287 -0.302 0.000 0.933 476 K CB -0.566 31.700 32.500 -0.390 0.000 0.717 476 K HN 0.209 nan 8.250 nan 0.000 0.442 477 S N 0.474 115.988 115.700 -0.310 0.000 2.371 477 S HA -0.065 4.411 4.470 0.010 0.000 0.224 477 S C 2.055 176.422 174.600 -0.389 0.000 1.029 477 S CA 0.883 58.905 58.200 -0.298 0.000 0.978 477 S CB -0.014 63.019 63.200 -0.279 0.000 0.833 477 S HN 0.031 nan 8.310 nan 0.000 0.466 478 V N 0.884 120.421 119.914 -0.629 0.000 2.407 478 V HA 0.044 4.170 4.120 0.010 0.000 0.245 478 V C 0.576 176.399 176.094 -0.453 0.000 1.041 478 V CA 1.511 63.400 62.300 -0.685 0.000 1.040 478 V CB -0.222 30.854 31.823 -1.244 0.000 0.671 478 V HN 0.469 nan 8.190 nan 0.000 0.455 479 D N -1.200 118.981 120.400 -0.364 0.000 2.375 479 D HA 0.284 4.931 4.640 0.010 0.000 0.259 479 D C -2.172 174.091 176.300 -0.062 0.000 1.235 479 D CA -1.985 51.917 54.000 -0.163 0.000 0.924 479 D CB 1.771 42.546 40.800 -0.041 0.000 1.143 479 D HN 0.114 nan 8.370 nan 0.000 0.529 480 P HA -0.039 nan 4.420 nan 0.000 0.233 480 P C 1.198 178.513 177.300 0.025 0.000 1.167 480 P CA 0.504 63.587 63.100 -0.029 0.000 0.770 480 P CB 0.250 31.927 31.700 -0.038 0.000 0.837 481 S N -1.254 114.474 115.700 0.047 0.000 2.436 481 S HA 0.036 4.512 4.470 0.010 0.000 0.228 481 S C 0.970 175.612 174.600 0.070 0.000 1.014 481 S CA 0.165 58.403 58.200 0.063 0.000 0.950 481 S CB -0.360 62.871 63.200 0.052 0.000 0.784 481 S HN 0.052 nan 8.310 nan 0.000 0.504 482 R N 1.573 122.137 120.500 0.107 0.000 2.534 482 R HA 0.538 4.884 4.340 0.010 0.000 0.301 482 R C -3.212 173.172 176.300 0.140 0.000 0.961 482 R CA -2.373 53.764 56.100 0.063 0.000 0.871 482 R CB 1.454 31.674 30.300 -0.133 0.000 1.170 482 R HN 0.172 nan 8.270 nan 0.000 0.446 483 P HA 0.038 nan 4.420 nan 0.000 0.271 483 P C -0.703 176.725 177.300 0.213 0.000 1.216 483 P CA -0.297 62.885 63.100 0.137 0.000 0.776 483 P CB 0.696 32.455 31.700 0.097 0.000 0.881 484 V N 3.953 124.026 119.914 0.264 0.000 2.394 484 V HA 0.330 4.456 4.120 0.010 0.000 0.282 484 V C 0.426 176.720 176.094 0.333 0.000 1.031 484 V CA -0.186 62.320 62.300 0.343 0.000 0.881 484 V CB 0.837 32.857 31.823 0.328 0.000 0.982 484 V HN 0.595 nan 8.190 nan 0.000 0.451 485 Q N 4.244 124.212 119.800 0.279 0.000 2.399 485 Q HA 0.797 5.143 4.340 0.010 0.000 0.276 485 Q C -1.725 174.438 176.000 0.272 0.000 1.098 485 Q CA -0.888 55.040 55.803 0.208 0.000 0.827 485 Q CB 2.853 31.660 28.738 0.115 0.000 1.386 485 Q HN 0.643 nan 8.270 nan 0.000 0.443 486 Y N -0.054 120.261 120.300 0.025 0.000 2.465 486 Y HA 0.146 4.702 4.550 0.009 0.000 0.323 486 Y C -0.556 175.293 175.900 -0.085 0.000 1.191 486 Y CA -0.714 57.371 58.100 -0.024 0.000 1.082 486 Y CB 2.045 40.490 38.460 -0.025 0.000 1.334 486 Y HN 0.944 nan 8.280 nan 0.000 0.449 487 E N 3.276 122.927 120.200 -0.915 0.000 2.216 487 E HA 0.142 4.498 4.350 0.010 0.000 0.192 487 E C 0.700 176.855 176.600 -0.742 0.000 0.973 487 E CA 0.777 56.785 56.400 -0.654 0.000 0.851 487 E CB 0.205 29.649 29.700 -0.426 0.000 0.804 487 E HN 0.899 nan 8.360 nan 0.000 0.477 488 G N -0.157 107.842 108.800 -1.335 0.000 2.562 488 G HA2 0.204 4.170 3.960 0.010 0.000 0.233 488 G HA3 0.204 4.170 3.960 0.010 0.000 0.233 488 G C 0.818 175.612 174.900 -0.177 0.000 1.266 488 G CA 0.369 45.123 45.100 -0.577 0.000 0.852 488 G HN 0.383 nan 8.290 nan 0.000 0.581 489 G N -0.514 108.275 108.800 -0.018 0.000 2.153 489 G HA2 0.213 4.179 3.960 0.010 0.000 0.252 489 G HA3 0.213 4.179 3.960 0.010 0.000 0.252 489 G C 1.245 176.165 174.900 0.033 0.000 0.994 489 G CA 1.080 46.223 45.100 0.072 0.000 0.698 489 G HN 2.580 nan 8.290 nan 0.000 0.521 490 G N -1.795 107.017 108.800 0.019 0.000 2.318 490 G HA2 0.457 4.423 3.960 0.010 0.000 0.172 490 G HA3 0.457 4.423 3.960 0.010 0.000 0.172 490 G C 1.045 176.063 174.900 0.196 0.000 1.002 490 G CA 1.313 46.482 45.100 0.115 0.000 0.697 490 G HN 2.297 nan 8.290 nan 0.000 0.483 491 A N 0.022 122.843 122.820 0.001 0.000 3.153 491 A HA -0.073 4.253 4.320 0.010 0.000 0.265 491 A C 1.034 178.548 177.584 -0.117 0.000 1.212 491 A CA 2.529 54.503 52.037 -0.104 0.000 1.018 491 A CB -1.832 17.094 19.000 -0.124 0.000 1.130 491 A HN 2.047 nan 8.150 nan 0.000 0.873 492 D N -1.262 119.148 120.400 0.016 0.000 2.712 492 D HA 0.254 4.900 4.640 0.010 0.000 0.300 492 D C 0.461 176.750 176.300 -0.018 0.000 1.521 492 D CA 0.889 54.903 54.000 0.023 0.000 0.790 492 D CB -1.218 39.732 40.800 0.250 0.000 1.155 492 D HN 0.803 nan 8.370 nan 0.000 0.456 493 T N -1.963 112.518 114.554 -0.122 0.000 2.773 493 T HA 0.187 4.543 4.350 0.010 0.000 0.337 493 T C 1.570 176.128 174.700 -0.237 0.000 1.086 493 T CA 0.738 62.685 62.100 -0.255 0.000 0.998 493 T CB 0.313 68.805 68.868 -0.626 0.000 1.281 493 T HN 0.060 nan 8.240 nan 0.000 0.525 494 T N -2.648 111.737 114.554 -0.282 0.000 3.148 494 T HA 0.335 4.692 4.350 0.010 0.000 0.253 494 T C 1.708 176.172 174.700 -0.394 0.000 1.134 494 T CA 0.189 62.157 62.100 -0.220 0.000 1.051 494 T CB -0.419 68.406 68.868 -0.073 0.000 0.959 494 T HN 0.774 nan 8.240 nan 0.000 0.525 495 A N 0.613 123.257 122.820 -0.293 0.000 2.275 495 A HA 0.453 4.779 4.320 0.010 0.000 0.212 495 A C 1.009 178.463 177.584 -0.217 0.000 1.201 495 A CA -0.004 51.891 52.037 -0.237 0.000 0.843 495 A CB -0.021 19.101 19.000 0.204 0.000 0.873 495 A HN 0.443 nan 8.150 nan 0.000 0.492 496 T N -1.503 112.904 114.554 -0.245 0.000 2.952 496 T HA 0.378 4.735 4.350 0.010 0.000 0.305 496 T C -0.621 174.075 174.700 -0.006 0.000 1.064 496 T CA -0.502 61.584 62.100 -0.024 0.000 1.008 496 T CB 1.292 70.159 68.868 -0.001 0.000 1.078 496 T HN 0.082 nan 8.240 nan 0.000 0.459 497 D N 2.731 123.211 120.400 0.133 0.000 2.333 497 D HA 0.241 4.887 4.640 0.010 0.000 0.208 497 D C 0.400 176.726 176.300 0.042 0.000 0.984 497 D CA 0.726 54.799 54.000 0.122 0.000 0.873 497 D CB 0.462 41.375 40.800 0.189 0.000 0.935 497 D HN 0.545 nan 8.370 nan 0.000 0.521 498 I N 1.041 121.618 120.570 0.012 0.000 2.498 498 I HA 0.257 4.433 4.170 0.010 0.000 0.290 498 I C -0.165 175.883 176.117 -0.116 0.000 1.032 498 I CA -0.965 60.307 61.300 -0.046 0.000 1.073 498 I CB 2.671 40.654 38.000 -0.027 0.000 1.251 498 I HN -0.346 nan 8.210 nan 0.000 0.426 499 I N 5.641 126.094 120.570 -0.196 0.000 2.581 499 I HA 0.015 4.191 4.170 0.010 0.000 0.285 499 I C 0.218 176.125 176.117 -0.350 0.000 1.129 499 I CA 0.112 61.197 61.300 -0.359 0.000 1.397 499 I CB -0.002 37.663 38.000 -0.559 0.000 1.399 499 I HN 0.678 nan 8.210 nan 0.000 0.537 500 C N 5.685 124.791 119.300 -0.324 0.000 3.401 500 C HA 0.459 4.926 4.460 0.010 0.000 0.204 500 C C -2.111 172.737 174.990 -0.236 0.000 1.522 500 C CA -2.217 56.664 59.018 -0.230 0.000 1.409 500 C CB -1.020 26.639 27.740 -0.137 0.000 1.967 500 C HN 0.443 nan 8.230 nan 0.000 0.496 501 P HA 0.276 nan 4.420 nan 0.000 0.272 501 P C -0.410 176.834 177.300 -0.093 0.000 1.240 501 P CA 0.360 63.369 63.100 -0.152 0.000 0.791 501 P CB 0.825 32.470 31.700 -0.093 0.000 0.978 502 M N 0.521 120.085 119.600 -0.059 0.000 2.149 502 M HA 0.419 4.905 4.480 0.010 0.000 0.342 502 M C -0.868 175.416 176.300 -0.026 0.000 1.068 502 M CA -0.669 54.489 55.300 -0.237 0.000 0.991 502 M CB 0.782 33.219 32.600 -0.270 0.000 1.596 502 M HN 0.253 nan 8.290 nan 0.000 0.439 503 Y N -0.156 120.300 120.300 0.261 0.000 4.272 503 Y HA -0.186 4.371 4.550 0.011 0.000 0.232 503 Y C 0.427 176.493 175.900 0.277 0.000 1.149 503 Y CA 0.503 58.763 58.100 0.267 0.000 1.961 503 Y CB -2.445 36.144 38.460 0.214 0.000 1.611 503 Y HN 0.964 nan 8.280 nan 0.000 0.682 504 A N 1.003 124.035 122.820 0.353 0.000 2.450 504 A HA 0.588 4.914 4.320 0.010 0.000 0.255 504 A C 0.784 178.582 177.584 0.356 0.000 1.096 504 A CA -0.490 51.756 52.037 0.349 0.000 0.778 504 A CB 0.388 19.626 19.000 0.397 0.000 1.031 504 A HN 0.407 nan 8.150 nan 0.000 0.494 505 R N 1.608 122.248 120.500 0.234 0.000 2.583 505 R HA 0.318 4.664 4.340 0.010 0.000 0.268 505 R C 1.050 177.325 176.300 -0.042 0.000 1.101 505 R CA -0.703 55.465 56.100 0.113 0.000 1.180 505 R CB 0.599 30.935 30.300 0.059 0.000 1.128 505 R HN 0.497 nan 8.270 nan 0.000 0.568 506 V N 0.749 120.478 119.914 -0.309 0.000 2.270 506 V HA -0.216 3.910 4.120 0.010 0.000 0.245 506 V C 0.995 176.979 176.094 -0.182 0.000 1.043 506 V CA 1.914 63.999 62.300 -0.359 0.000 1.014 506 V CB -0.262 31.229 31.823 -0.553 0.000 0.645 506 V HN 0.761 nan 8.190 nan 0.000 0.447 507 D N -1.569 118.754 120.400 -0.129 0.000 2.454 507 D HA 0.099 4.746 4.640 0.010 0.000 0.219 507 D C 0.910 177.196 176.300 -0.024 0.000 1.081 507 D CA 0.031 53.990 54.000 -0.069 0.000 0.867 507 D CB 0.716 41.480 40.800 -0.061 0.000 1.054 507 D HN 0.474 nan 8.370 nan 0.000 0.500 508 E N 1.927 122.116 120.200 -0.019 0.000 2.200 508 E HA 0.096 4.452 4.350 0.010 0.000 0.283 508 E C -0.857 175.742 176.600 -0.001 0.000 1.015 508 E CA -0.572 55.824 56.400 -0.007 0.000 0.819 508 E CB 0.927 30.622 29.700 -0.008 0.000 1.081 508 E HN -0.185 nan 8.360 nan 0.000 0.397 509 D N 3.862 124.262 120.400 -0.000 0.000 2.350 509 D HA 0.079 4.725 4.640 0.010 0.000 0.249 509 D C -0.560 175.620 176.300 -0.200 0.000 1.119 509 D CA 0.276 54.260 54.000 -0.027 0.000 0.886 509 D CB 1.123 41.984 40.800 0.102 0.000 1.195 509 D HN 0.401 nan 8.370 nan 0.000 0.437 510 Q N 2.389 121.958 119.800 -0.384 0.000 2.644 510 Q HA 0.251 4.597 4.340 0.010 0.000 0.245 510 Q C -2.169 173.140 176.000 -1.151 0.000 1.064 510 Q CA -1.603 53.778 55.803 -0.703 0.000 0.860 510 Q CB 1.849 30.231 28.738 -0.593 0.000 1.145 510 Q HN 0.176 nan 8.270 nan 0.000 0.515 511 P HA 0.072 nan 4.420 nan 0.000 0.225 511 P C -0.789 176.132 177.300 -0.631 0.000 1.813 511 P CA -0.333 62.232 63.100 -0.892 0.000 1.013 511 P CB -0.459 30.921 31.700 -0.534 0.000 1.961 512 F N 2.858 122.617 119.950 -0.319 0.000 2.563 512 F HA 0.166 4.699 4.527 0.010 0.000 0.363 512 F C -1.064 174.624 175.800 -0.187 0.000 1.123 512 F CA -2.359 55.521 58.000 -0.199 0.000 1.307 512 F CB -1.041 37.868 39.000 -0.152 0.000 1.115 512 F HN 0.146 nan 8.300 nan 0.000 0.592 513 P HA 0.100 nan 4.420 nan 0.000 0.266 513 P C 0.399 177.715 177.300 0.027 0.000 1.195 513 P CA 1.073 64.186 63.100 0.022 0.000 0.768 513 P CB 1.071 32.786 31.700 0.024 0.000 0.838 514 A N 2.890 125.721 122.820 0.017 0.000 3.275 514 A HA -0.249 4.077 4.320 0.010 0.000 0.241 514 A C 0.751 178.353 177.584 0.029 0.000 0.607 514 A CA 1.930 53.984 52.037 0.029 0.000 1.181 514 A CB -2.668 16.349 19.000 0.029 0.000 1.304 514 A HN 0.709 nan 8.150 nan 0.000 0.682 515 V N -3.010 116.917 119.914 0.021 0.000 2.562 515 V HA 0.541 4.667 4.120 0.010 0.000 0.274 515 V C -2.408 173.689 176.094 0.005 0.000 1.075 515 V CA -1.164 61.153 62.300 0.029 0.000 1.204 515 V CB 0.568 32.413 31.823 0.037 0.000 1.478 515 V HN 0.486 nan 8.190 nan 0.000 0.622 516 P HA 0.253 nan 4.420 nan 0.000 0.271 516 P C -0.562 176.350 177.300 -0.648 0.000 1.218 516 P CA 0.160 62.881 63.100 -0.630 0.000 0.780 516 P CB 1.005 31.870 31.700 -1.391 0.000 0.901 517 K N 2.614 122.699 120.400 -0.525 0.000 2.356 517 K HA 0.187 4.513 4.320 0.010 0.000 0.243 517 K C -0.411 175.962 176.600 -0.379 0.000 1.072 517 K CA -0.254 55.908 56.287 -0.207 0.000 1.014 517 K CB 0.230 32.836 32.500 0.176 0.000 1.523 517 K HN 0.472 nan 8.250 nan 0.000 0.455 518 W N 1.323 122.343 121.300 -0.467 0.000 2.150 518 W HA 0.026 4.693 4.660 0.012 0.000 0.341 518 W C 1.304 177.835 176.519 0.020 0.000 1.276 518 W CA -0.406 56.729 57.345 -0.351 0.000 1.238 518 W CB 0.490 29.533 29.460 -0.694 0.000 1.128 518 W HN 0.365 nan 8.180 nan 0.000 0.581 519 S N 3.814 119.668 115.700 0.257 0.000 2.626 519 S HA -0.117 4.359 4.470 0.010 0.000 0.303 519 S C 1.278 176.020 174.600 0.236 0.000 1.256 519 S CA -0.023 58.278 58.200 0.169 0.000 1.069 519 S CB -0.030 63.214 63.200 0.074 0.000 0.807 519 S HN 0.497 nan 8.310 nan 0.000 0.500 520 I N 2.898 123.582 120.570 0.189 0.000 2.335 520 I HA -0.182 3.994 4.170 0.010 0.000 0.251 520 I C 2.079 178.218 176.117 0.036 0.000 1.129 520 I CA 1.391 62.796 61.300 0.175 0.000 1.402 520 I CB -0.379 37.675 38.000 0.089 0.000 1.069 520 I HN 0.560 nan 8.210 nan 0.000 0.424 521 K N 1.432 121.757 120.400 -0.126 0.000 2.057 521 K HA -0.145 4.181 4.320 0.010 0.000 0.206 521 K C 2.310 178.889 176.600 -0.036 0.000 1.050 521 K CA 1.617 57.735 56.287 -0.282 0.000 0.935 521 K CB -0.191 32.050 32.500 -0.432 0.000 0.715 521 K HN 0.355 nan 8.250 nan 0.000 0.439 522 K N -0.054 120.358 120.400 0.020 0.000 2.103 522 K HA -0.172 4.154 4.320 0.010 0.000 0.204 522 K C 1.875 178.501 176.600 0.043 0.000 1.052 522 K CA 0.928 57.220 56.287 0.008 0.000 0.945 522 K CB -0.071 32.409 32.500 -0.034 0.000 0.722 522 K HN 0.231 nan 8.250 nan 0.000 0.443 523 W N 2.037 123.319 121.300 -0.030 0.000 2.338 523 W HA -0.182 4.483 4.660 0.007 0.000 0.304 523 W C 1.636 178.133 176.519 -0.036 0.000 1.212 523 W CA 1.117 58.454 57.345 -0.013 0.000 1.264 523 W CB -0.603 28.912 29.460 0.092 0.000 1.142 523 W HN 0.081 nan 8.180 nan 0.000 0.512 524 L N 0.779 122.153 121.223 0.251 0.000 2.127 524 L HA -0.226 4.120 4.340 0.010 0.000 0.211 524 L C 2.076 179.010 176.870 0.107 0.000 1.089 524 L CA 1.939 56.861 54.840 0.138 0.000 0.757 524 L CB -0.940 41.183 42.059 0.106 0.000 0.899 524 L HN -0.015 nan 8.230 nan 0.000 0.434 525 S N -1.445 114.305 115.700 0.082 0.000 2.601 525 S HA 0.302 4.778 4.470 0.010 0.000 0.244 525 S C 0.361 174.953 174.600 -0.013 0.000 1.001 525 S CA -0.585 57.637 58.200 0.037 0.000 0.984 525 S CB -0.382 62.842 63.200 0.040 0.000 0.842 525 S HN 0.125 nan 8.310 nan 0.000 0.474 526 L N 2.122 123.332 121.223 -0.023 0.000 2.485 526 L HA 0.279 4.625 4.340 0.010 0.000 0.275 526 L C -2.168 174.671 176.870 -0.050 0.000 1.207 526 L CA -1.893 52.889 54.840 -0.096 0.000 0.855 526 L CB -0.192 41.787 42.059 -0.133 0.000 1.114 526 L HN 0.039 nan 8.230 nan 0.000 0.485 527 P HA -0.069 nan 4.420 nan 0.000 0.257 527 P C 0.769 178.059 177.300 -0.016 0.000 1.162 527 P CA 1.212 64.288 63.100 -0.041 0.000 0.762 527 P CB 0.370 32.039 31.700 -0.052 0.000 0.753 528 G N 2.028 110.826 108.800 -0.004 0.000 2.253 528 G HA2 -0.280 3.686 3.960 0.010 0.000 0.251 528 G HA3 -0.280 3.686 3.960 0.010 0.000 0.251 528 G C 0.286 175.199 174.900 0.021 0.000 0.998 528 G CA 0.175 45.280 45.100 0.009 0.000 0.621 528 G HN 0.622 nan 8.290 nan 0.000 0.524 529 E N 1.042 121.260 120.200 0.029 0.000 2.338 529 E HA 0.594 4.950 4.350 0.010 0.000 0.272 529 E C 1.460 178.082 176.600 0.037 0.000 1.029 529 E CA 0.815 57.244 56.400 0.048 0.000 0.872 529 E CB 0.850 30.603 29.700 0.089 0.000 1.015 529 E HN 0.534 nan 8.360 nan 0.000 0.417 530 T N 0.511 115.084 114.554 0.031 0.000 3.010 530 T HA 0.284 4.640 4.350 0.010 0.000 0.253 530 T C 0.568 175.276 174.700 0.013 0.000 0.939 530 T CA -0.429 61.684 62.100 0.022 0.000 0.910 530 T CB 0.008 68.889 68.868 0.021 0.000 1.226 530 T HN 0.285 nan 8.240 nan 0.000 0.508 531 R N 2.786 123.289 120.500 0.005 0.000 2.784 531 R HA 0.345 4.691 4.340 0.010 0.000 0.266 531 R C -2.434 173.844 176.300 -0.037 0.000 1.044 531 R CA -1.417 54.675 56.100 -0.013 0.000 1.151 531 R CB -0.179 30.107 30.300 -0.023 0.000 1.037 531 R HN 0.305 nan 8.270 nan 0.000 0.478 532 P HA 0.044 nan 4.420 nan 0.000 0.274 532 P C -0.970 176.258 177.300 -0.121 0.000 1.231 532 P CA -0.062 62.995 63.100 -0.072 0.000 0.790 532 P CB 0.715 32.375 31.700 -0.066 0.000 0.951 533 L N 3.376 124.510 121.223 -0.148 0.000 2.319 533 L HA 0.531 4.878 4.340 0.010 0.000 0.281 533 L C -0.759 175.969 176.870 -0.237 0.000 1.005 533 L CA -0.637 54.077 54.840 -0.210 0.000 0.828 533 L CB 0.379 42.311 42.059 -0.212 0.000 1.227 533 L HN 0.246 nan 8.230 nan 0.000 0.415 534 I N 5.808 126.243 120.570 -0.226 0.000 2.497 534 I HA 0.233 4.409 4.170 0.010 0.000 0.284 534 I C -0.785 175.238 176.117 -0.156 0.000 1.060 534 I CA -0.604 60.545 61.300 -0.250 0.000 1.071 534 I CB 1.808 39.708 38.000 -0.167 0.000 1.216 534 I HN 0.421 nan 8.210 nan 0.000 0.442 535 L N 5.684 126.790 121.223 -0.195 0.000 2.534 535 L HA 0.007 4.353 4.340 0.010 0.000 0.271 535 L C 1.570 178.498 176.870 0.096 0.000 1.178 535 L CA -0.044 54.744 54.840 -0.087 0.000 0.907 535 L CB 0.391 42.394 42.059 -0.092 0.000 1.164 535 L HN 0.864 nan 8.230 nan 0.000 0.482 536 C N 0.347 119.684 119.300 0.061 0.000 2.432 536 C HA 0.066 4.532 4.460 0.010 0.000 0.280 536 C C 0.720 175.808 174.990 0.164 0.000 1.353 536 C CA -0.071 59.010 59.018 0.105 0.000 1.766 536 C CB -1.030 26.689 27.740 -0.036 0.000 1.924 536 C HN 0.828 nan 8.230 nan 0.000 0.509 537 E N -0.677 119.546 120.200 0.038 0.000 2.290 537 E HA 0.624 4.980 4.350 0.010 0.000 0.274 537 E C -1.226 175.276 176.600 -0.164 0.000 0.889 537 E CA -0.395 55.981 56.400 -0.040 0.000 0.760 537 E CB 2.069 31.546 29.700 -0.372 0.000 1.206 537 E HN 0.600 nan 8.360 nan 0.000 0.419 538 Y N -0.238 120.012 120.300 -0.083 0.000 2.689 538 Y HA 0.635 5.192 4.550 0.011 0.000 0.333 538 Y C -0.869 175.188 175.900 0.262 0.000 1.208 538 Y CA -1.016 57.076 58.100 -0.014 0.000 1.055 538 Y CB 0.548 38.890 38.460 -0.196 0.000 1.304 538 Y HN 0.633 nan 8.280 nan 0.000 0.455 539 A N 2.155 124.974 122.820 -0.001 0.000 2.136 539 A HA -0.246 4.080 4.320 0.010 0.000 0.274 539 A C -0.344 177.337 177.584 0.162 0.000 1.388 539 A CA 1.042 53.090 52.037 0.017 0.000 0.741 539 A CB -2.494 16.405 19.000 -0.168 0.000 1.173 539 A HN 1.125 nan 8.150 nan 0.000 0.329 540 H N 0.992 120.184 119.070 0.202 0.000 3.191 540 H HA 0.263 4.825 4.556 0.010 0.000 0.261 540 H C 1.138 176.505 175.328 0.065 0.000 1.013 540 H CA 0.871 57.042 56.048 0.206 0.000 1.457 540 H CB 0.424 30.185 29.762 -0.002 0.000 1.535 540 H HN 0.811 nan 8.280 nan 0.000 0.518 541 A N 6.673 129.410 122.820 -0.137 0.000 2.916 541 A HA 0.071 4.397 4.320 0.010 0.000 0.254 541 A C 0.795 178.233 177.584 -0.244 0.000 1.544 541 A CA -0.347 51.571 52.037 -0.198 0.000 1.224 541 A CB -0.585 18.257 19.000 -0.264 0.000 1.012 541 A HN 0.759 nan 8.150 nan 0.000 0.636 542 M N 1.428 120.927 119.600 -0.168 0.000 2.105 542 M HA 0.443 4.929 4.480 0.010 0.000 0.350 542 M C 1.109 177.277 176.300 -0.221 0.000 1.308 542 M CA 1.119 56.319 55.300 -0.167 0.000 1.108 542 M CB 0.101 32.686 32.600 -0.026 0.000 1.622 542 M HN 0.812 nan 8.290 nan 0.000 0.468 543 G N 4.439 113.094 108.800 -0.242 0.000 2.611 543 G HA2 -0.358 3.608 3.960 0.010 0.000 0.301 543 G HA3 -0.358 3.608 3.960 0.010 0.000 0.301 543 G C -0.049 174.399 174.900 -0.753 0.000 1.233 543 G CA 0.231 45.053 45.100 -0.463 0.000 0.993 543 G HN 0.809 nan 8.290 nan 0.000 0.553 544 N N 1.364 119.500 118.700 -0.940 0.000 2.605 544 N HA 0.495 5.241 4.740 0.010 0.000 0.258 544 N C -0.010 175.274 175.510 -0.377 0.000 1.156 544 N CA 1.058 53.688 53.050 -0.700 0.000 1.008 544 N CB 0.373 38.475 38.487 -0.641 0.000 1.354 544 N HN 0.759 nan 8.380 nan 0.000 0.509 545 S N 1.961 117.516 115.700 -0.241 0.000 2.911 545 S HA 0.621 5.097 4.470 0.010 0.000 0.319 545 S C 0.075 174.611 174.600 -0.105 0.000 1.154 545 S CA -0.367 57.738 58.200 -0.158 0.000 0.857 545 S CB 0.222 63.349 63.200 -0.123 0.000 1.279 545 S HN 0.393 nan 8.310 nan 0.000 0.593 546 L N 0.085 121.273 121.223 -0.057 0.000 4.793 546 L HA -0.057 4.289 4.340 0.010 0.000 0.404 546 L C 0.463 177.371 176.870 0.063 0.000 1.022 546 L CA 0.931 55.756 54.840 -0.026 0.000 1.242 546 L CB -1.694 40.264 42.059 -0.169 0.000 2.049 546 L HN 0.743 nan 8.230 nan 0.000 0.637 547 G N -0.701 108.110 108.800 0.018 0.000 2.398 547 G HA2 0.477 4.443 3.960 0.010 0.000 0.246 547 G HA3 0.477 4.443 3.960 0.010 0.000 0.246 547 G C 1.211 176.169 174.900 0.097 0.000 1.289 547 G CA 0.127 45.224 45.100 -0.004 0.000 0.869 547 G HN 1.463 nan 8.290 nan 0.000 0.543 548 G N 1.317 110.177 108.800 0.101 0.000 2.141 548 G HA2 -0.305 3.661 3.960 0.010 0.000 0.242 548 G HA3 -0.305 3.661 3.960 0.010 0.000 0.242 548 G C 0.879 175.984 174.900 0.342 0.000 0.982 548 G CA 0.734 45.948 45.100 0.191 0.000 0.662 548 G HN 0.768 nan 8.290 nan 0.000 0.527 549 F N 1.583 121.675 119.950 0.237 0.000 2.146 549 F HA 0.258 4.791 4.527 0.011 0.000 0.298 549 F C 2.630 178.670 175.800 0.400 0.000 1.096 549 F CA 2.254 60.477 58.000 0.371 0.000 1.275 549 F CB -0.421 38.729 39.000 0.249 0.000 1.008 549 F HN 0.311 nan 8.300 nan 0.000 0.480 550 A N -0.122 122.884 122.820 0.308 0.000 2.024 550 A HA -0.248 4.078 4.320 0.010 0.000 0.220 550 A C 2.288 179.915 177.584 0.071 0.000 1.164 550 A CA 1.807 53.954 52.037 0.183 0.000 0.643 550 A CB -0.837 18.278 19.000 0.191 0.000 0.806 550 A HN 0.456 nan 8.150 nan 0.000 0.451 551 K N -1.548 118.872 120.400 0.034 0.000 2.057 551 K HA -0.195 4.132 4.320 0.010 0.000 0.207 551 K C 1.733 178.130 176.600 -0.339 0.000 1.049 551 K CA 1.732 57.948 56.287 -0.118 0.000 0.931 551 K CB -0.346 32.072 32.500 -0.137 0.000 0.714 551 K HN 0.532 nan 8.250 nan 0.000 0.440 552 Y N -0.783 119.275 120.300 -0.403 0.000 2.128 552 Y HA -0.254 4.302 4.550 0.010 0.000 0.284 552 Y C 1.964 177.017 175.900 -1.412 0.000 1.154 552 Y CA 1.784 59.284 58.100 -1.001 0.000 1.149 552 Y CB -0.462 37.396 38.460 -1.003 0.000 0.976 552 Y HN 0.208 nan 8.280 nan 0.000 0.505 553 W N -0.437 120.501 121.300 -0.603 0.000 2.584 553 W HA -0.088 4.579 4.660 0.012 0.000 0.264 553 W C 2.527 178.919 176.519 -0.213 0.000 1.264 553 W CA 0.907 58.026 57.345 -0.378 0.000 1.306 553 W CB -0.322 28.980 29.460 -0.263 0.000 1.110 553 W HN 0.022 nan 8.180 nan 0.000 0.606 554 Q N 0.857 120.633 119.800 -0.039 0.000 2.079 554 Q HA -0.150 4.196 4.340 0.010 0.000 0.200 554 Q C 2.183 178.161 176.000 -0.036 0.000 0.974 554 Q CA 1.989 57.784 55.803 -0.013 0.000 0.840 554 Q CB -0.472 28.260 28.738 -0.010 0.000 0.898 554 Q HN 0.271 nan 8.270 nan 0.000 0.430 555 A N 0.179 122.890 122.820 -0.182 0.000 1.872 555 A HA -0.125 4.201 4.320 0.010 0.000 0.214 555 A C 1.852 179.425 177.584 -0.018 0.000 1.187 555 A CA 1.127 53.070 52.037 -0.156 0.000 0.614 555 A CB -0.843 17.925 19.000 -0.387 0.000 0.826 555 A HN 0.355 nan 8.150 nan 0.000 0.442 556 F N 0.326 120.142 119.950 -0.222 0.000 2.120 556 F HA -0.175 4.358 4.527 0.010 0.000 0.300 556 F C 2.551 178.281 175.800 -0.118 0.000 1.095 556 F CA 1.462 59.291 58.000 -0.285 0.000 1.249 556 F CB -0.846 37.782 39.000 -0.619 0.000 0.995 556 F HN 0.187 nan 8.300 nan 0.000 0.480 557 R N -0.396 120.189 120.500 0.143 0.000 2.073 557 R HA -0.137 4.209 4.340 0.010 0.000 0.229 557 R C 2.194 178.543 176.300 0.081 0.000 1.120 557 R CA 1.136 57.292 56.100 0.095 0.000 0.967 557 R CB -0.549 29.801 30.300 0.084 0.000 0.862 557 R HN 0.360 nan 8.270 nan 0.000 0.436 558 Q N -0.094 119.781 119.800 0.124 0.000 2.119 558 Q HA -0.110 4.236 4.340 0.010 0.000 0.201 558 Q C -0.394 175.623 176.000 0.027 0.000 0.972 558 Q CA 1.193 57.047 55.803 0.086 0.000 0.847 558 Q CB 0.253 29.077 28.738 0.142 0.000 0.903 558 Q HN 0.204 nan 8.270 nan 0.000 0.433 559 Y N 0.077 120.368 120.300 -0.015 0.000 2.385 559 Y HA 0.232 4.787 4.550 0.009 0.000 0.341 559 Y C -1.746 174.137 175.900 -0.029 0.000 0.965 559 Y CA -2.790 55.299 58.100 -0.017 0.000 1.180 559 Y CB 1.241 39.695 38.460 -0.009 0.000 1.139 559 Y HN 0.144 nan 8.280 nan 0.000 0.502 560 P HA -0.209 nan 4.420 nan 0.000 0.215 560 P C 1.116 178.422 177.300 0.010 0.000 1.163 560 P CA 1.922 65.027 63.100 0.009 0.000 0.894 560 P CB 0.287 31.977 31.700 -0.016 0.000 0.791 561 R N -1.174 119.350 120.500 0.040 0.000 2.323 561 R HA 0.114 4.460 4.340 0.010 0.000 0.198 561 R C 0.319 176.608 176.300 -0.018 0.000 0.988 561 R CA 0.044 56.149 56.100 0.008 0.000 1.041 561 R CB -0.512 29.802 30.300 0.024 0.000 0.926 561 R HN 0.251 nan 8.270 nan 0.000 0.476 562 L N 1.464 122.694 121.223 0.011 0.000 2.259 562 L HA 0.168 4.514 4.340 0.010 0.000 0.288 562 L C 0.594 177.341 176.870 -0.205 0.000 1.051 562 L CA 0.104 54.907 54.840 -0.062 0.000 0.824 562 L CB 1.337 43.435 42.059 0.066 0.000 1.206 562 L HN 0.049 nan 8.230 nan 0.000 0.429 563 Q N 2.649 122.239 119.800 -0.350 0.000 2.189 563 Q HA 0.330 4.676 4.340 0.010 0.000 0.221 563 Q C 0.701 176.290 176.000 -0.685 0.000 0.848 563 Q CA 0.055 55.617 55.803 -0.402 0.000 1.007 563 Q CB 1.162 29.748 28.738 -0.253 0.000 1.116 563 Q HN 0.954 nan 8.270 nan 0.000 0.481 564 G N -0.569 107.446 108.800 -1.308 0.000 2.378 564 G HA2 0.124 4.090 3.960 0.010 0.000 0.198 564 G HA3 0.124 4.090 3.960 0.010 0.000 0.198 564 G C -0.409 173.548 174.900 -1.572 0.000 1.223 564 G CA -0.742 43.166 45.100 -1.987 0.000 1.088 564 G HN 0.468 nan 8.290 nan 0.000 0.530 565 G N -2.082 106.085 108.800 -1.055 0.000 2.548 565 G HA2 0.685 4.651 3.960 0.010 0.000 0.301 565 G HA3 0.685 4.651 3.960 0.010 0.000 0.301 565 G C -1.946 172.815 174.900 -0.233 0.000 1.349 565 G CA -0.456 44.276 45.100 -0.614 0.000 0.792 565 G HN 1.039 nan 8.290 nan 0.000 0.481 566 F N 0.853 121.006 119.950 0.337 0.000 2.434 566 F HA 0.460 4.992 4.527 0.009 0.000 0.355 566 F C 0.669 176.762 175.800 0.488 0.000 1.115 566 F CA -0.703 57.539 58.000 0.403 0.000 1.010 566 F CB 2.052 41.184 39.000 0.222 0.000 1.234 566 F HN 0.218 nan 8.300 nan 0.000 0.439 567 V N 3.579 123.813 119.914 0.535 0.000 2.694 567 V HA -0.168 3.958 4.120 0.010 0.000 0.306 567 V C -0.186 176.063 176.094 0.258 0.000 1.054 567 V CA -0.094 62.309 62.300 0.173 0.000 1.161 567 V CB 0.508 32.448 31.823 0.194 0.000 0.916 567 V HN 0.743 nan 8.190 nan 0.000 0.490 568 W N 6.759 128.102 121.300 0.072 0.000 2.318 568 W HA 0.453 5.119 4.660 0.010 0.000 0.315 568 W C -0.775 175.698 176.519 -0.078 0.000 1.033 568 W CA -0.691 56.714 57.345 0.101 0.000 1.275 568 W CB 1.461 31.116 29.460 0.326 0.000 1.250 568 W HN 0.908 nan 8.180 nan 0.000 0.421 569 D N 2.940 122.999 120.400 -0.568 0.000 2.958 569 D HA 0.119 4.765 4.640 0.010 0.000 0.306 569 D C 0.740 176.824 176.300 -0.360 0.000 1.226 569 D CA -0.490 53.114 54.000 -0.660 0.000 1.032 569 D CB 0.248 40.121 40.800 -1.546 0.000 1.400 569 D HN 0.434 nan 8.370 nan 0.000 0.587 570 W N 0.357 121.356 121.300 -0.502 0.000 2.423 570 W HA 0.133 4.799 4.660 0.010 0.000 0.321 570 W C 0.133 176.447 176.519 -0.342 0.000 1.180 570 W CA 0.950 58.065 57.345 -0.384 0.000 1.322 570 W CB 0.195 29.462 29.460 -0.322 0.000 1.174 570 W HN 0.117 nan 8.180 nan 0.000 0.470 571 V N 2.682 122.354 119.914 -0.403 0.000 2.581 571 V HA 0.226 4.352 4.120 0.010 0.000 0.303 571 V C -0.881 175.000 176.094 -0.355 0.000 1.041 571 V CA -0.674 61.357 62.300 -0.449 0.000 0.907 571 V CB 1.429 33.130 31.823 -0.205 0.000 0.994 571 V HN -0.062 nan 8.190 nan 0.000 0.442 572 D N 4.010 124.215 120.400 -0.325 0.000 2.450 572 D HA 0.123 4.770 4.640 0.010 0.000 0.247 572 D C 0.455 176.602 176.300 -0.256 0.000 1.162 572 D CA 0.604 54.464 54.000 -0.233 0.000 0.879 572 D CB 0.968 41.729 40.800 -0.065 0.000 1.163 572 D HN 0.601 nan 8.370 nan 0.000 0.472 573 Q N 1.171 120.734 119.800 -0.394 0.000 2.639 573 Q HA 0.078 4.424 4.340 0.010 0.000 0.301 573 Q C 0.006 175.958 176.000 -0.081 0.000 1.029 573 Q CA -0.218 55.122 55.803 -0.772 0.000 0.936 573 Q CB -0.095 28.311 28.738 -0.553 0.000 1.354 573 Q HN 0.361 nan 8.270 nan 0.000 0.417 574 S N -0.264 115.514 115.700 0.130 0.000 2.586 574 S HA 0.574 5.050 4.470 0.010 0.000 0.274 574 S C -0.133 174.643 174.600 0.292 0.000 1.281 574 S CA -0.743 57.642 58.200 0.308 0.000 1.035 574 S CB 1.316 64.675 63.200 0.266 0.000 0.962 574 S HN 0.291 nan 8.310 nan 0.000 0.512 575 L N 2.258 123.581 121.223 0.167 0.000 2.346 575 L HA 0.490 4.836 4.340 0.010 0.000 0.274 575 L C -0.365 176.420 176.870 -0.142 0.000 1.007 575 L CA -1.226 53.600 54.840 -0.025 0.000 0.818 575 L CB 1.421 43.369 42.059 -0.184 0.000 1.284 575 L HN 0.565 nan 8.230 nan 0.000 0.424 576 I N 2.749 123.181 120.570 -0.231 0.000 2.533 576 I HA 0.175 4.351 4.170 0.010 0.000 0.284 576 I C 0.240 175.983 176.117 -0.624 0.000 1.109 576 I CA 0.304 61.333 61.300 -0.451 0.000 1.412 576 I CB 0.277 38.039 38.000 -0.396 0.000 1.396 576 I HN 0.592 nan 8.210 nan 0.000 0.543 577 K N 5.297 125.024 120.400 -1.123 0.000 2.400 577 K HA 0.589 4.915 4.320 0.010 0.000 0.246 577 K C -1.509 174.282 176.600 -1.349 0.000 0.995 577 K CA -0.732 54.816 56.287 -1.233 0.000 0.840 577 K CB 2.411 33.868 32.500 -1.738 0.000 1.293 577 K HN 0.241 nan 8.250 nan 0.000 0.445 578 Y N 0.590 120.645 120.300 -0.409 0.000 2.446 578 Y HA 0.168 4.724 4.550 0.010 0.000 0.345 578 Y C 0.066 176.099 175.900 0.221 0.000 0.984 578 Y CA -0.939 57.127 58.100 -0.057 0.000 1.058 578 Y CB 1.458 39.881 38.460 -0.062 0.000 1.220 578 Y HN 0.679 nan 8.280 nan 0.000 0.455 579 D N -0.551 120.107 120.400 0.430 0.000 2.529 579 D HA 0.106 4.753 4.640 0.010 0.000 0.273 579 D C 0.801 177.196 176.300 0.159 0.000 1.197 579 D CA -0.607 53.560 54.000 0.279 0.000 1.070 579 D CB 0.355 41.243 40.800 0.147 0.000 1.134 579 D HN 0.720 nan 8.370 nan 0.000 0.590 580 E N -0.635 119.618 120.200 0.087 0.000 2.209 580 E HA -0.235 4.121 4.350 0.010 0.000 0.196 580 E C 0.618 177.247 176.600 0.048 0.000 0.993 580 E CA 0.949 57.380 56.400 0.052 0.000 0.819 580 E CB -0.451 29.263 29.700 0.023 0.000 0.745 580 E HN 0.283 nan 8.360 nan 0.000 0.477 581 N N 0.334 119.070 118.700 0.061 0.000 2.336 581 N HA 0.065 4.811 4.740 0.010 0.000 0.189 581 N C 0.916 176.469 175.510 0.073 0.000 1.113 581 N CA 0.897 53.979 53.050 0.053 0.000 0.858 581 N CB 1.182 39.697 38.487 0.047 0.000 0.970 581 N HN 0.429 nan 8.380 nan 0.000 0.471 582 G N 0.974 109.841 108.800 0.111 0.000 2.137 582 G HA2 -0.267 3.699 3.960 0.010 0.000 0.237 582 G HA3 -0.267 3.699 3.960 0.010 0.000 0.237 582 G C -0.415 174.632 174.900 0.245 0.000 1.002 582 G CA -0.330 44.855 45.100 0.142 0.000 0.702 582 G HN 0.387 nan 8.290 nan 0.000 0.515 583 N N 2.082 120.919 118.700 0.229 0.000 2.434 583 N HA 0.513 5.260 4.740 0.010 0.000 0.272 583 N C -2.284 173.341 175.510 0.192 0.000 1.040 583 N CA -1.369 51.802 53.050 0.201 0.000 0.956 583 N CB 1.758 40.326 38.487 0.136 0.000 1.108 583 N HN 0.112 nan 8.380 nan 0.000 0.481 584 P HA 0.095 nan 4.420 nan 0.000 0.275 584 P C -0.920 176.306 177.300 -0.124 0.000 1.227 584 P CA -0.160 62.736 63.100 -0.340 0.000 0.781 584 P CB 0.469 31.988 31.700 -0.302 0.000 0.906 585 W N -0.042 120.995 121.300 -0.439 0.000 3.217 585 W HA 0.398 5.064 4.660 0.010 0.000 0.323 585 W C -1.353 174.976 176.519 -0.318 0.000 1.216 585 W CA -1.101 56.010 57.345 -0.391 0.000 1.194 585 W CB 0.330 29.366 29.460 -0.706 0.000 1.397 585 W HN 0.113 nan 8.180 nan 0.000 0.537 586 S N 1.777 117.494 115.700 0.028 0.000 2.481 586 S HA 0.538 5.014 4.470 0.010 0.000 0.276 586 S C 0.218 174.914 174.600 0.161 0.000 1.247 586 S CA -0.112 58.111 58.200 0.037 0.000 1.053 586 S CB 0.620 63.906 63.200 0.143 0.000 0.925 586 S HN 0.594 nan 8.310 nan 0.000 0.491 587 A N 3.154 125.955 122.820 -0.031 0.000 2.337 587 A HA 0.883 5.209 4.320 0.010 0.000 0.331 587 A C -0.641 177.151 177.584 0.346 0.000 1.137 587 A CA -0.768 51.273 52.037 0.007 0.000 0.807 587 A CB 0.725 19.399 19.000 -0.544 0.000 1.250 587 A HN 0.838 nan 8.150 nan 0.000 0.468 588 Y N -0.617 119.972 120.300 0.482 0.000 3.159 588 Y HA 0.769 5.325 4.550 0.010 0.000 0.299 588 Y C 0.708 176.979 175.900 0.618 0.000 1.666 588 Y CA -1.304 57.110 58.100 0.523 0.000 1.049 588 Y CB -0.071 38.532 38.460 0.238 0.000 1.413 588 Y HN 0.829 nan 8.280 nan 0.000 0.576 589 G N -0.105 109.107 108.800 0.686 0.000 2.248 589 G HA2 0.397 4.363 3.960 0.010 0.000 0.260 589 G HA3 0.397 4.363 3.960 0.010 0.000 0.260 589 G C 0.823 176.045 174.900 0.537 0.000 1.214 589 G CA 0.390 45.808 45.100 0.531 0.000 0.979 589 G HN 1.909 nan 8.290 nan 0.000 0.454 590 G N 2.649 111.746 108.800 0.495 0.000 2.259 590 G HA2 -0.246 3.720 3.960 0.010 0.000 0.217 590 G HA3 -0.246 3.720 3.960 0.010 0.000 0.217 590 G C 0.854 175.935 174.900 0.301 0.000 1.001 590 G CA 0.499 45.815 45.100 0.361 0.000 0.627 590 G HN 0.589 nan 8.290 nan 0.000 0.501 591 D N 0.027 120.601 120.400 0.290 0.000 2.348 591 D HA 0.130 4.776 4.640 0.010 0.000 0.216 591 D C 1.240 177.430 176.300 -0.182 0.000 0.970 591 D CA 0.518 54.535 54.000 0.028 0.000 0.889 591 D CB -0.190 40.544 40.800 -0.110 0.000 0.912 591 D HN 0.462 nan 8.370 nan 0.000 0.524 592 F N -0.543 119.505 119.950 0.164 0.000 2.684 592 F HA 0.324 4.858 4.527 0.010 0.000 0.298 592 F C 1.793 177.667 175.800 0.122 0.000 1.120 592 F CA -0.281 57.780 58.000 0.101 0.000 1.332 592 F CB 0.549 39.592 39.000 0.071 0.000 0.986 592 F HN -0.058 nan 8.300 nan 0.000 0.524 593 G N 0.350 109.296 108.800 0.242 0.000 2.189 593 G HA2 -0.312 3.654 3.960 0.010 0.000 0.267 593 G HA3 -0.312 3.654 3.960 0.010 0.000 0.267 593 G C 0.010 175.044 174.900 0.224 0.000 0.975 593 G CA 0.332 45.550 45.100 0.196 0.000 0.644 593 G HN 0.485 nan 8.290 nan 0.000 0.537 594 D N 0.232 120.814 120.400 0.303 0.000 2.425 594 D HA 0.478 5.125 4.640 0.010 0.000 0.247 594 D C -0.001 176.432 176.300 0.223 0.000 1.147 594 D CA 0.960 55.133 54.000 0.288 0.000 0.879 594 D CB 1.618 42.650 40.800 0.388 0.000 1.179 594 D HN 0.298 nan 8.370 nan 0.000 0.456 595 T N 1.503 116.157 114.554 0.166 0.000 3.159 595 T HA 0.382 4.738 4.350 0.010 0.000 0.343 595 T C -2.814 171.934 174.700 0.079 0.000 1.364 595 T CA -1.117 61.053 62.100 0.116 0.000 1.102 595 T CB 1.088 70.022 68.868 0.111 0.000 1.263 595 T HN 0.256 nan 8.240 nan 0.000 0.477 596 P HA 0.436 nan 4.420 nan 0.000 0.269 596 P C -1.008 176.299 177.300 0.010 0.000 1.209 596 P CA -0.267 62.844 63.100 0.019 0.000 0.776 596 P CB 0.297 31.982 31.700 -0.025 0.000 0.876 597 N N -1.273 117.442 118.700 0.026 0.000 2.284 597 N HA 0.290 5.036 4.740 0.010 0.000 0.289 597 N C -1.102 174.417 175.510 0.016 0.000 1.179 597 N CA -0.831 52.234 53.050 0.025 0.000 0.774 597 N CB 1.243 39.833 38.487 0.172 0.000 1.548 597 N HN 0.100 nan 8.380 nan 0.000 0.473 598 D N 0.799 121.183 120.400 -0.026 0.000 2.894 598 D HA 0.103 4.749 4.640 0.010 0.000 0.248 598 D C 0.476 177.008 176.300 0.387 0.000 1.291 598 D CA -0.115 53.931 54.000 0.077 0.000 0.840 598 D CB 0.091 40.798 40.800 -0.155 0.000 1.044 598 D HN 0.711 nan 8.370 nan 0.000 0.484 599 R N 0.766 121.471 120.500 0.343 0.000 3.682 599 R HA -0.327 4.019 4.340 0.010 0.000 0.519 599 R C 1.153 177.518 176.300 0.108 0.000 0.241 599 R CA 1.436 57.730 56.100 0.323 0.000 1.619 599 R CB -1.534 28.877 30.300 0.185 0.000 0.923 599 R HN 0.203 nan 8.270 nan 0.000 0.598 600 Q N 1.506 121.056 119.800 -0.416 0.000 2.415 600 Q HA 0.020 4.366 4.340 0.010 0.000 0.206 600 Q C 1.428 177.158 176.000 -0.450 0.000 0.946 600 Q CA 1.045 56.356 55.803 -0.819 0.000 0.951 600 Q CB 0.111 28.086 28.738 -1.271 0.000 1.026 600 Q HN 0.599 nan 8.270 nan 0.000 0.510 601 F N 1.466 121.308 119.950 -0.181 0.000 2.641 601 F HA -0.098 4.435 4.527 0.010 0.000 0.298 601 F C 2.168 177.919 175.800 -0.081 0.000 1.146 601 F CA 0.912 58.904 58.000 -0.013 0.000 1.464 601 F CB -0.100 38.985 39.000 0.142 0.000 1.101 601 F HN 0.428 nan 8.300 nan 0.000 0.585 602 C N -1.467 117.557 119.300 -0.459 0.000 2.500 602 C HA 0.180 4.646 4.460 0.010 0.000 0.273 602 C C 1.108 175.904 174.990 -0.323 0.000 1.428 602 C CA -0.415 58.175 59.018 -0.713 0.000 1.766 602 C CB -1.610 25.218 27.740 -1.520 0.000 1.817 602 C HN 0.190 nan 8.230 nan 0.000 0.543 603 M N 2.871 122.330 119.600 -0.235 0.000 2.131 603 M HA 0.276 4.762 4.480 0.010 0.000 0.345 603 M C -0.603 175.582 176.300 -0.192 0.000 1.060 603 M CA 0.297 55.486 55.300 -0.184 0.000 1.011 603 M CB -0.029 32.510 32.600 -0.102 0.000 1.328 603 M HN 0.377 nan 8.290 nan 0.000 0.396 604 N N 0.775 119.333 118.700 -0.237 0.000 2.451 604 N HA 0.254 5.000 4.740 0.010 0.000 0.271 604 N C 0.074 175.315 175.510 -0.447 0.000 1.410 604 N CA -0.528 52.338 53.050 -0.307 0.000 0.884 604 N CB 1.193 39.524 38.487 -0.260 0.000 1.332 604 N HN 0.606 nan 8.380 nan 0.000 0.498 605 G N -0.194 108.288 108.800 -0.530 0.000 2.437 605 G HA2 0.419 4.385 3.960 0.010 0.000 0.319 605 G HA3 0.419 4.385 3.960 0.010 0.000 0.319 605 G C 0.597 174.949 174.900 -0.913 0.000 1.158 605 G CA -0.636 44.066 45.100 -0.663 0.000 0.899 605 G HN 0.162 nan 8.290 nan 0.000 0.502 606 L N 0.189 120.959 121.223 -0.754 0.000 2.395 606 L HA 0.115 4.461 4.340 0.010 0.000 0.218 606 L C 0.818 177.205 176.870 -0.806 0.000 1.130 606 L CA 0.343 54.775 54.840 -0.681 0.000 0.826 606 L CB -0.323 41.517 42.059 -0.365 0.000 0.941 606 L HN 0.395 nan 8.230 nan 0.000 0.451 607 V N -5.140 114.201 119.914 -0.955 0.000 2.914 607 V HA 0.488 4.614 4.120 0.010 0.000 0.314 607 V C -0.137 175.662 176.094 -0.492 0.000 1.084 607 V CA -1.268 60.643 62.300 -0.648 0.000 0.963 607 V CB 1.524 32.915 31.823 -0.721 0.000 1.025 607 V HN -0.165 nan 8.190 nan 0.000 0.432 608 F N 1.576 121.525 119.950 -0.003 0.000 2.435 608 F HA 0.571 5.104 4.527 0.011 0.000 0.316 608 F C 1.983 177.740 175.800 -0.072 0.000 1.220 608 F CA 0.623 58.644 58.000 0.035 0.000 1.241 608 F CB 0.554 39.565 39.000 0.018 0.000 1.234 608 F HN 0.772 nan 8.300 nan 0.000 0.569 609 A N 0.662 123.600 122.820 0.197 0.000 1.948 609 A HA -0.229 4.097 4.320 0.010 0.000 0.220 609 A C 1.695 179.274 177.584 -0.008 0.000 1.177 609 A CA 2.014 54.109 52.037 0.098 0.000 0.636 609 A CB -1.030 18.047 19.000 0.129 0.000 0.815 609 A HN 0.793 nan 8.150 nan 0.000 0.449 610 D N -2.688 117.719 120.400 0.012 0.000 2.328 610 D HA 0.089 4.735 4.640 0.010 0.000 0.226 610 D C 0.565 176.868 176.300 0.006 0.000 1.066 610 D CA 0.134 54.113 54.000 -0.035 0.000 0.861 610 D CB -0.186 40.593 40.800 -0.034 0.000 0.912 610 D HN 0.218 nan 8.370 nan 0.000 0.521 611 R N -1.311 119.198 120.500 0.015 0.000 3.936 611 R HA -0.121 4.225 4.340 0.010 0.000 0.366 611 R C -0.443 175.880 176.300 0.037 0.000 1.158 611 R CA 1.009 57.108 56.100 -0.002 0.000 0.969 611 R CB -3.153 27.178 30.300 0.052 0.000 1.504 611 R HN 0.222 nan 8.270 nan 0.000 0.538 612 T N 2.201 116.819 114.554 0.107 0.000 2.870 612 T HA 0.332 4.689 4.350 0.010 0.000 0.300 612 T C -2.303 172.521 174.700 0.206 0.000 0.989 612 T CA -0.841 61.350 62.100 0.153 0.000 1.139 612 T CB 1.025 69.977 68.868 0.140 0.000 0.920 612 T HN -0.080 nan 8.240 nan 0.000 0.537 613 P HA 0.139 nan 4.420 nan 0.000 0.276 613 P C 0.067 177.409 177.300 0.070 0.000 1.230 613 P CA -0.250 62.875 63.100 0.041 0.000 0.776 613 P CB 0.345 32.069 31.700 0.041 0.000 0.888 614 H N 3.697 122.597 119.070 -0.284 0.000 2.607 614 H HA 0.053 4.615 4.556 0.010 0.000 0.367 614 H C -1.275 173.963 175.328 -0.150 0.000 1.181 614 H CA -1.521 54.343 56.048 -0.306 0.000 1.402 614 H CB 0.268 29.796 29.762 -0.391 0.000 1.474 614 H HN 0.334 nan 8.280 nan 0.000 0.596 615 P HA -0.119 nan 4.420 nan 0.000 0.223 615 P C 1.018 178.323 177.300 0.009 0.000 1.144 615 P CA 1.143 64.233 63.100 -0.017 0.000 0.783 615 P CB 0.121 31.807 31.700 -0.023 0.000 0.771 616 A N -0.561 122.269 122.820 0.016 0.000 2.014 616 A HA -0.131 4.195 4.320 0.010 0.000 0.218 616 A C 2.019 179.558 177.584 -0.075 0.000 1.163 616 A CA 0.947 52.953 52.037 -0.051 0.000 0.652 616 A CB -1.488 17.454 19.000 -0.096 0.000 0.808 616 A HN 0.157 nan 8.150 nan 0.000 0.449 617 L N -0.297 120.907 121.223 -0.032 0.000 2.079 617 L HA -0.139 4.207 4.340 0.010 0.000 0.210 617 L C 2.526 179.443 176.870 0.078 0.000 1.081 617 L CA 2.719 57.578 54.840 0.031 0.000 0.752 617 L CB -0.934 41.149 42.059 0.041 0.000 0.896 617 L HN 0.394 nan 8.230 nan 0.000 0.433 618 T N -1.907 112.698 114.554 0.085 0.000 2.867 618 T HA -0.180 4.176 4.350 0.010 0.000 0.268 618 T C 1.804 176.616 174.700 0.185 0.000 1.057 618 T CA 1.380 63.584 62.100 0.173 0.000 1.136 618 T CB -0.118 68.834 68.868 0.140 0.000 0.874 618 T HN 0.467 nan 8.240 nan 0.000 0.466 619 E N 0.800 121.045 120.200 0.075 0.000 2.072 619 E HA 0.083 4.439 4.350 0.010 0.000 0.191 619 E C 2.223 178.817 176.600 -0.010 0.000 0.985 619 E CA 1.315 57.752 56.400 0.063 0.000 0.801 619 E CB -0.640 29.059 29.700 -0.002 0.000 0.750 619 E HN 0.548 nan 8.360 nan 0.000 0.452 620 A N 0.967 123.675 122.820 -0.187 0.000 1.908 620 A HA -0.245 4.081 4.320 0.010 0.000 0.218 620 A C 2.168 179.615 177.584 -0.228 0.000 1.181 620 A CA 1.931 53.821 52.037 -0.244 0.000 0.627 620 A CB -0.598 18.264 19.000 -0.230 0.000 0.818 620 A HN 0.238 nan 8.150 nan 0.000 0.445 621 K N -1.399 118.933 120.400 -0.113 0.000 2.026 621 K HA -0.262 4.064 4.320 0.010 0.000 0.208 621 K C 2.077 178.528 176.600 -0.248 0.000 1.048 621 K CA 1.862 58.085 56.287 -0.107 0.000 0.929 621 K CB -0.325 32.268 32.500 0.154 0.000 0.713 621 K HN 0.648 nan 8.250 nan 0.000 0.439 622 H N 0.437 119.292 119.070 -0.358 0.000 2.353 622 H HA -0.055 4.508 4.556 0.011 0.000 0.300 622 H C 2.015 177.059 175.328 -0.474 0.000 1.090 622 H CA 1.787 57.440 56.048 -0.659 0.000 1.327 622 H CB 0.169 29.637 29.762 -0.489 0.000 1.383 622 H HN 0.221 nan 8.280 nan 0.000 0.508 623 Q N 0.313 119.859 119.800 -0.422 0.000 2.083 623 Q HA -0.074 4.273 4.340 0.010 0.000 0.198 623 Q C 1.733 177.185 176.000 -0.915 0.000 0.969 623 Q CA 1.216 56.682 55.803 -0.563 0.000 0.838 623 Q CB -0.074 28.448 28.738 -0.359 0.000 0.900 623 Q HN 0.679 nan 8.270 nan 0.000 0.436 624 Q N 0.557 119.756 119.800 -1.001 0.000 2.329 624 Q HA 0.039 4.385 4.340 0.010 0.000 0.208 624 Q C -0.132 175.299 176.000 -0.948 0.000 0.934 624 Q CA -0.168 54.919 55.803 -1.192 0.000 0.951 624 Q CB 0.123 28.218 28.738 -1.072 0.000 1.017 624 Q HN 0.356 nan 8.270 nan 0.000 0.490 625 Q N -0.489 118.891 119.800 -0.700 0.000 2.369 625 Q HA -0.062 4.284 4.340 0.010 0.000 0.295 625 Q C -0.133 175.497 176.000 -0.616 0.000 1.075 625 Q CA 0.400 55.916 55.803 -0.478 0.000 0.941 625 Q CB 0.451 28.995 28.738 -0.324 0.000 1.260 625 Q HN 0.342 nan 8.270 nan 0.000 0.417 626 F N 0.801 120.517 119.950 -0.389 0.000 2.727 626 F HA 0.198 4.731 4.527 0.010 0.000 0.302 626 F C -0.227 174.996 175.800 -0.961 0.000 1.097 626 F CA -0.022 57.497 58.000 -0.800 0.000 1.330 626 F CB 0.559 38.769 39.000 -1.317 0.000 1.084 626 F HN 0.316 nan 8.300 nan 0.000 0.578 627 F N 0.424 120.287 119.950 -0.145 0.000 2.518 627 F HA 0.434 4.967 4.527 0.011 0.000 0.323 627 F C -0.161 175.286 175.800 -0.587 0.000 1.129 627 F CA -1.214 56.593 58.000 -0.322 0.000 0.920 627 F CB 1.182 40.017 39.000 -0.276 0.000 1.160 627 F HN -0.309 nan 8.300 nan 0.000 0.440 628 Q N 3.077 122.636 119.800 -0.403 0.000 2.235 628 Q HA 0.581 4.927 4.340 0.010 0.000 0.256 628 Q C -1.223 174.486 176.000 -0.485 0.000 0.951 628 Q CA -0.513 55.089 55.803 -0.335 0.000 0.890 628 Q CB 2.453 31.112 28.738 -0.131 0.000 1.279 628 Q HN 0.538 nan 8.270 nan 0.000 0.444 629 F N 0.144 120.213 119.950 0.198 0.000 2.563 629 F HA 0.596 5.130 4.527 0.011 0.000 0.316 629 F C 0.450 176.477 175.800 0.378 0.000 1.076 629 F CA -0.858 57.337 58.000 0.326 0.000 0.921 629 F CB 1.966 41.281 39.000 0.525 0.000 1.209 629 F HN 0.144 nan 8.300 nan 0.000 0.462 630 R N 1.279 122.068 120.500 0.483 0.000 2.808 630 R HA 0.739 5.086 4.340 0.010 0.000 0.272 630 R C -2.036 174.286 176.300 0.037 0.000 0.995 630 R CA -1.324 54.982 56.100 0.342 0.000 0.917 630 R CB 2.994 33.400 30.300 0.177 0.000 1.217 630 R HN 0.535 nan 8.270 nan 0.000 0.471 631 L N 0.092 121.222 121.223 -0.155 0.000 2.365 631 L HA 0.514 4.861 4.340 0.010 0.000 0.273 631 L C -0.938 175.787 176.870 -0.242 0.000 1.000 631 L CA 0.009 54.550 54.840 -0.497 0.000 0.819 631 L CB 2.187 43.544 42.059 -1.169 0.000 1.284 631 L HN 0.573 nan 8.230 nan 0.000 0.418 632 S N 3.155 118.723 115.700 -0.219 0.000 2.511 632 S HA 0.620 5.096 4.470 0.010 0.000 0.233 632 S C 0.213 174.729 174.600 -0.141 0.000 1.104 632 S CA 0.222 58.340 58.200 -0.137 0.000 1.129 632 S CB 0.058 63.207 63.200 -0.084 0.000 1.159 632 S HN 1.434 nan 8.310 nan 0.000 0.451 633 G N 4.213 112.929 108.800 -0.140 0.000 2.595 633 G HA2 -0.288 3.678 3.960 0.010 0.000 0.297 633 G HA3 -0.288 3.678 3.960 0.010 0.000 0.297 633 G C 0.414 175.217 174.900 -0.162 0.000 1.181 633 G CA 0.667 45.691 45.100 -0.126 0.000 0.963 633 G HN 0.638 nan 8.290 nan 0.000 0.541 634 Q N 0.722 120.430 119.800 -0.154 0.000 2.217 634 Q HA 0.221 4.567 4.340 0.010 0.000 0.217 634 Q C 0.068 175.945 176.000 -0.204 0.000 0.844 634 Q CA 0.533 56.226 55.803 -0.184 0.000 0.957 634 Q CB 1.118 29.764 28.738 -0.153 0.000 1.127 634 Q HN 0.469 nan 8.270 nan 0.000 0.503 635 T N 1.778 116.224 114.554 -0.179 0.000 2.749 635 T HA 0.461 4.817 4.350 0.010 0.000 0.287 635 T C 0.089 174.678 174.700 -0.184 0.000 0.970 635 T CA -0.256 61.750 62.100 -0.156 0.000 0.980 635 T CB 0.912 69.719 68.868 -0.103 0.000 0.924 635 T HN 0.045 nan 8.240 nan 0.000 0.456 636 I N 2.934 123.404 120.570 -0.166 0.000 2.315 636 I HA 0.273 4.449 4.170 0.010 0.000 0.291 636 I C 0.697 176.814 176.117 -0.001 0.000 1.006 636 I CA -0.548 60.676 61.300 -0.127 0.000 1.265 636 I CB 1.023 38.967 38.000 -0.094 0.000 1.387 636 I HN 0.564 nan 8.210 nan 0.000 0.475 637 E N 6.731 126.953 120.200 0.038 0.000 2.130 637 E HA 0.349 4.706 4.350 0.010 0.000 0.284 637 E C -1.306 175.372 176.600 0.131 0.000 1.018 637 E CA -0.568 55.872 56.400 0.068 0.000 0.817 637 E CB 1.219 30.944 29.700 0.043 0.000 1.078 637 E HN 0.384 nan 8.360 nan 0.000 0.396 638 V N 4.448 124.422 119.914 0.100 0.000 2.370 638 V HA 0.283 4.409 4.120 0.010 0.000 0.279 638 V C 0.032 176.123 176.094 -0.003 0.000 1.029 638 V CA -0.568 61.750 62.300 0.029 0.000 0.870 638 V CB 1.550 33.422 31.823 0.081 0.000 0.984 638 V HN 0.674 nan 8.190 nan 0.000 0.451 639 T N 3.340 117.851 114.554 -0.071 0.000 2.792 639 T HA 0.328 4.684 4.350 0.010 0.000 0.280 639 T C -0.016 174.676 174.700 -0.013 0.000 0.990 639 T CA -0.279 61.804 62.100 -0.029 0.000 0.960 639 T CB 1.543 70.382 68.868 -0.049 0.000 0.939 639 T HN 0.647 nan 8.240 nan 0.000 0.439 640 S N 1.746 117.458 115.700 0.020 0.000 2.513 640 S HA 0.209 4.685 4.470 0.010 0.000 0.276 640 S C 0.832 175.326 174.600 -0.177 0.000 1.254 640 S CA -0.540 57.617 58.200 -0.072 0.000 1.053 640 S CB 0.586 63.818 63.200 0.053 0.000 0.958 640 S HN 0.733 nan 8.310 nan 0.000 0.491 641 E N 2.936 122.935 120.200 -0.335 0.000 2.481 641 E HA 0.085 4.441 4.350 0.010 0.000 0.198 641 E C -0.775 175.673 176.600 -0.253 0.000 1.027 641 E CA -0.098 56.138 56.400 -0.273 0.000 0.900 641 E CB 0.294 29.813 29.700 -0.301 0.000 0.993 641 E HN 0.667 nan 8.360 nan 0.000 0.482 642 Y N 0.459 120.641 120.300 -0.198 0.000 2.497 642 Y HA -0.034 4.522 4.550 0.010 0.000 0.334 642 Y C 1.346 177.087 175.900 -0.265 0.000 1.199 642 Y CA 0.431 58.408 58.100 -0.205 0.000 1.425 642 Y CB 0.568 38.883 38.460 -0.242 0.000 1.291 642 Y HN -0.030 nan 8.280 nan 0.000 0.562 643 L N 1.273 122.342 121.223 -0.256 0.000 2.408 643 L HA 0.022 4.369 4.340 0.010 0.000 0.215 643 L C 0.704 177.132 176.870 -0.736 0.000 1.081 643 L CA 0.659 55.089 54.840 -0.682 0.000 0.840 643 L CB -0.011 41.303 42.059 -1.242 0.000 1.002 643 L HN 0.575 nan 8.230 nan 0.000 0.468 644 F N -0.855 119.104 119.950 0.014 0.000 2.699 644 F HA 0.215 4.748 4.527 0.009 0.000 0.295 644 F C 1.181 176.964 175.800 -0.028 0.000 1.052 644 F CA -0.775 57.210 58.000 -0.025 0.000 1.239 644 F CB 0.061 39.027 39.000 -0.057 0.000 1.018 644 F HN -0.150 nan 8.300 nan 0.000 0.627 645 R N 0.036 120.587 120.500 0.084 0.000 2.536 645 R HA 0.476 4.822 4.340 0.010 0.000 0.279 645 R C -0.949 175.344 176.300 -0.011 0.000 1.001 645 R CA -0.632 55.458 56.100 -0.016 0.000 1.027 645 R CB 0.853 31.043 30.300 -0.184 0.000 1.096 645 R HN 0.073 nan 8.270 nan 0.000 0.502 646 H N 0.449 119.495 119.070 -0.040 0.000 2.546 646 H HA 0.095 4.657 4.556 0.010 0.000 0.365 646 H C 0.099 175.430 175.328 0.005 0.000 1.220 646 H CA 0.406 56.459 56.048 0.009 0.000 1.386 646 H CB 1.187 30.960 29.762 0.019 0.000 1.510 646 H HN 0.774 nan 8.280 nan 0.000 0.591 647 S N 1.506 117.218 115.700 0.021 0.000 4.085 647 S HA -0.026 4.450 4.470 0.010 0.000 0.189 647 S C 0.102 174.809 174.600 0.178 0.000 1.392 647 S CA -0.166 58.127 58.200 0.155 0.000 0.972 647 S CB -0.748 62.549 63.200 0.162 0.000 1.482 647 S HN 0.702 nan 8.310 nan 0.000 0.446 648 D N 0.449 120.943 120.400 0.155 0.000 2.340 648 D HA 0.011 4.657 4.640 0.010 0.000 0.220 648 D C 0.481 176.820 176.300 0.064 0.000 1.039 648 D CA 0.036 54.107 54.000 0.118 0.000 0.866 648 D CB -0.267 40.580 40.800 0.079 0.000 0.913 648 D HN 0.494 nan 8.370 nan 0.000 0.523 649 N N 0.082 118.820 118.700 0.063 0.000 2.646 649 N HA 0.172 4.918 4.740 0.010 0.000 0.303 649 N C -1.533 174.010 175.510 0.055 0.000 1.921 649 N CA -0.256 52.820 53.050 0.043 0.000 0.872 649 N CB 0.279 38.780 38.487 0.024 0.000 1.327 649 N HN -0.059 nan 8.380 nan 0.000 0.492 650 E N -0.135 120.091 120.200 0.043 0.000 2.321 650 E HA 0.502 4.859 4.350 0.010 0.000 0.278 650 E C -1.311 175.276 176.600 -0.022 0.000 0.902 650 E CA -0.723 55.681 56.400 0.006 0.000 0.758 650 E CB 1.847 31.526 29.700 -0.034 0.000 1.213 650 E HN 0.262 nan 8.360 nan 0.000 0.426 651 L N -0.173 121.018 121.223 -0.054 0.000 2.303 651 L HA 0.759 5.105 4.340 0.010 0.000 0.256 651 L C -1.399 175.425 176.870 -0.078 0.000 1.034 651 L CA -1.168 53.643 54.840 -0.049 0.000 0.832 651 L CB 0.778 42.820 42.059 -0.029 0.000 1.403 651 L HN 0.479 nan 8.230 nan 0.000 0.419 652 L N 0.793 122.022 121.223 0.011 0.000 2.316 652 L HA 0.525 4.872 4.340 0.010 0.000 0.280 652 L C -0.651 176.336 176.870 0.196 0.000 1.006 652 L CA 0.150 55.044 54.840 0.090 0.000 0.836 652 L CB 0.522 42.686 42.059 0.176 0.000 1.221 652 L HN 0.632 nan 8.230 nan 0.000 0.418 653 H N 5.112 124.261 119.070 0.132 0.000 2.610 653 H HA 0.349 4.912 4.556 0.010 0.000 0.336 653 H C -0.993 174.436 175.328 0.169 0.000 1.087 653 H CA -0.452 55.636 56.048 0.067 0.000 1.405 653 H CB 0.693 30.459 29.762 0.006 0.000 1.460 653 H HN 0.639 nan 8.280 nan 0.000 0.538 654 W N 3.697 125.103 121.300 0.176 0.000 2.819 654 W HA 0.509 5.175 4.660 0.010 0.000 0.337 654 W C -1.880 174.692 176.519 0.087 0.000 1.077 654 W CA -1.370 56.050 57.345 0.125 0.000 1.226 654 W CB 1.152 30.674 29.460 0.104 0.000 1.419 654 W HN 0.425 nan 8.180 nan 0.000 0.502 655 M N 3.846 123.627 119.600 0.302 0.000 2.267 655 M HA 0.548 5.034 4.480 0.010 0.000 0.289 655 M C -2.344 174.133 176.300 0.295 0.000 1.043 655 M CA -0.534 54.848 55.300 0.137 0.000 0.928 655 M CB 1.988 34.604 32.600 0.027 0.000 1.613 655 M HN 0.214 nan 8.290 nan 0.000 0.450 656 V N 4.496 124.581 119.914 0.284 0.000 2.384 656 V HA 0.970 5.096 4.120 0.010 0.000 0.287 656 V C -0.416 175.778 176.094 0.168 0.000 1.020 656 V CA -0.364 62.095 62.300 0.265 0.000 0.850 656 V CB 1.099 33.098 31.823 0.293 0.000 0.987 656 V HN 0.997 nan 8.190 nan 0.000 0.436 657 A N 4.867 127.795 122.820 0.181 0.000 2.422 657 A HA 0.804 5.130 4.320 0.010 0.000 0.302 657 A C -1.225 176.468 177.584 0.183 0.000 1.041 657 A CA -0.632 51.482 52.037 0.128 0.000 0.708 657 A CB 1.521 20.554 19.000 0.054 0.000 1.257 657 A HN 0.796 nan 8.150 nan 0.000 0.414 658 L N 2.299 123.600 121.223 0.129 0.000 2.283 658 L HA 0.344 4.690 4.340 0.010 0.000 0.287 658 L C -0.326 176.630 176.870 0.144 0.000 1.073 658 L CA 0.365 55.294 54.840 0.149 0.000 0.822 658 L CB -0.225 41.891 42.059 0.095 0.000 1.186 658 L HN 0.749 nan 8.230 nan 0.000 0.436 659 D N 5.330 125.878 120.400 0.248 0.000 2.829 659 D HA -0.226 4.421 4.640 0.010 0.000 0.219 659 D C 1.200 177.511 176.300 0.018 0.000 1.239 659 D CA 1.342 55.473 54.000 0.218 0.000 0.685 659 D CB -0.787 40.141 40.800 0.212 0.000 0.950 659 D HN 1.109 nan 8.370 nan 0.000 0.398 660 G N -0.089 108.667 108.800 -0.072 0.000 2.299 660 G HA2 -0.355 3.611 3.960 0.010 0.000 0.237 660 G HA3 -0.355 3.611 3.960 0.010 0.000 0.237 660 G C 0.321 175.125 174.900 -0.160 0.000 1.027 660 G CA 0.341 45.308 45.100 -0.222 0.000 0.619 660 G HN 0.474 nan 8.290 nan 0.000 0.513 661 K N 2.214 122.570 120.400 -0.073 0.000 2.267 661 K HA 0.481 4.807 4.320 0.010 0.000 0.282 661 K C -2.579 174.000 176.600 -0.035 0.000 1.078 661 K CA -1.771 54.482 56.287 -0.056 0.000 0.903 661 K CB 1.410 33.894 32.500 -0.026 0.000 1.111 661 K HN 0.102 nan 8.250 nan 0.000 0.475 662 P HA -0.075 nan 4.420 nan 0.000 0.264 662 P C -0.066 177.223 177.300 -0.018 0.000 1.193 662 P CA -0.043 63.029 63.100 -0.046 0.000 0.763 662 P CB 0.646 32.297 31.700 -0.081 0.000 0.810 663 L N 2.318 123.548 121.223 0.011 0.000 2.519 663 L HA 0.499 4.845 4.340 0.010 0.000 0.194 663 L C 0.562 177.451 176.870 0.032 0.000 1.072 663 L CA 0.930 55.790 54.840 0.033 0.000 0.845 663 L CB -0.183 41.918 42.059 0.069 0.000 1.138 663 L HN 0.376 nan 8.230 nan 0.000 0.487 664 A N -0.688 122.159 122.820 0.045 0.000 2.594 664 A HA 0.640 4.966 4.320 0.010 0.000 0.295 664 A C -0.907 176.567 177.584 -0.184 0.000 1.071 664 A CA 0.069 52.117 52.037 0.019 0.000 0.685 664 A CB 1.679 20.800 19.000 0.202 0.000 1.285 664 A HN 0.232 nan 8.150 nan 0.000 0.405 665 S N -0.246 115.142 115.700 -0.519 0.000 2.550 665 S HA 0.949 5.425 4.470 0.010 0.000 0.270 665 S C -0.305 173.545 174.600 -1.251 0.000 1.145 665 S CA -0.146 57.427 58.200 -1.045 0.000 0.852 665 S CB 1.394 64.259 63.200 -0.558 0.000 1.119 665 S HN 2.458 nan 8.310 nan 0.000 0.465 666 G N 0.265 108.020 108.800 -1.743 0.000 2.608 666 G HA2 0.629 4.596 3.960 0.010 0.000 0.291 666 G HA3 0.629 4.596 3.960 0.010 0.000 0.291 666 G C -2.219 172.423 174.900 -0.431 0.000 1.425 666 G CA -0.855 43.752 45.100 -0.821 0.000 0.787 666 G HN 0.750 nan 8.290 nan 0.000 0.484 667 E N -0.771 119.449 120.200 0.034 0.000 2.222 667 E HA 0.605 4.961 4.350 0.010 0.000 0.267 667 E C -1.221 175.535 176.600 0.260 0.000 0.884 667 E CA -0.843 55.687 56.400 0.218 0.000 0.764 667 E CB 3.087 32.914 29.700 0.210 0.000 1.169 667 E HN 0.239 nan 8.360 nan 0.000 0.413 668 V N 3.220 123.291 119.914 0.261 0.000 2.638 668 V HA 0.353 4.479 4.120 0.010 0.000 0.306 668 V C -2.461 173.708 176.094 0.125 0.000 1.052 668 V CA -2.197 60.217 62.300 0.191 0.000 0.885 668 V CB 2.019 33.960 31.823 0.196 0.000 0.999 668 V HN 0.575 nan 8.190 nan 0.000 0.424 669 P HA 0.288 nan 4.420 nan 0.000 0.276 669 P C -0.628 176.706 177.300 0.058 0.000 1.230 669 P CA -0.209 62.931 63.100 0.066 0.000 0.776 669 P CB 0.597 32.335 31.700 0.064 0.000 0.888 670 L N 3.422 124.663 121.223 0.030 0.000 2.313 670 L HA 0.216 4.563 4.340 0.010 0.000 0.282 670 L C 0.304 177.205 176.870 0.053 0.000 1.092 670 L CA 0.399 55.243 54.840 0.008 0.000 0.831 670 L CB 0.294 42.295 42.059 -0.097 0.000 1.159 670 L HN 0.348 nan 8.230 nan 0.000 0.442 671 D N 3.319 123.761 120.400 0.071 0.000 2.400 671 D HA 0.335 4.981 4.640 0.010 0.000 0.272 671 D C -1.173 175.156 176.300 0.049 0.000 1.220 671 D CA -0.094 53.994 54.000 0.147 0.000 0.897 671 D CB 1.000 41.907 40.800 0.179 0.000 1.134 671 D HN 0.020 nan 8.370 nan 0.000 0.507 672 V N 1.664 121.486 119.914 -0.154 0.000 2.487 672 V HA 0.797 4.923 4.120 0.010 0.000 0.298 672 V C 0.704 176.463 176.094 -0.557 0.000 1.028 672 V CA -1.246 60.942 62.300 -0.186 0.000 0.860 672 V CB 1.421 33.268 31.823 0.039 0.000 0.991 672 V HN 0.533 nan 8.190 nan 0.000 0.427 673 A N 7.132 129.743 122.820 -0.348 0.000 2.366 673 A HA 0.628 4.954 4.320 0.010 0.000 0.249 673 A C -2.200 175.330 177.584 -0.088 0.000 1.084 673 A CA -1.212 50.703 52.037 -0.204 0.000 0.794 673 A CB -0.200 18.821 19.000 0.034 0.000 1.034 673 A HN 0.665 nan 8.150 nan 0.000 0.491 674 P HA 0.031 nan 4.420 nan 0.000 0.264 674 P C -0.372 176.907 177.300 -0.034 0.000 1.193 674 P CA 0.537 63.628 63.100 -0.015 0.000 0.763 674 P CB 0.771 32.461 31.700 -0.017 0.000 0.810 675 Q N -0.968 118.802 119.800 -0.051 0.000 2.305 675 Q HA -0.167 4.179 4.340 0.010 0.000 0.203 675 Q C 0.856 176.838 176.000 -0.031 0.000 0.663 675 Q CA 1.947 57.718 55.803 -0.055 0.000 1.389 675 Q CB -2.552 26.150 28.738 -0.060 0.000 1.566 675 Q HN 0.758 nan 8.270 nan 0.000 0.755 676 G N 0.314 109.104 108.800 -0.018 0.000 2.563 676 G HA2 0.502 4.469 3.960 0.010 0.000 0.283 676 G HA3 0.502 4.469 3.960 0.010 0.000 0.283 676 G C -0.215 174.688 174.900 0.006 0.000 1.309 676 G CA -0.394 44.703 45.100 -0.004 0.000 1.022 676 G HN 0.000 nan 8.290 nan 0.000 0.501 677 K N -0.805 119.603 120.400 0.013 0.000 2.477 677 K HA 0.415 4.742 4.320 0.010 0.000 0.255 677 K C -1.128 175.488 176.600 0.027 0.000 0.952 677 K CA -0.585 55.714 56.287 0.020 0.000 0.826 677 K CB 2.647 35.155 32.500 0.014 0.000 1.331 677 K HN 0.533 nan 8.250 nan 0.000 0.437 678 Q N 3.014 122.835 119.800 0.035 0.000 2.304 678 Q HA 0.370 4.717 4.340 0.010 0.000 0.270 678 Q C -1.547 174.475 176.000 0.036 0.000 1.035 678 Q CA -0.650 55.175 55.803 0.037 0.000 0.781 678 Q CB 1.317 30.082 28.738 0.044 0.000 1.261 678 Q HN 0.526 nan 8.270 nan 0.000 0.444 679 L N 5.742 126.978 121.223 0.023 0.000 2.261 679 L HA 0.446 4.792 4.340 0.010 0.000 0.289 679 L C -0.408 176.462 176.870 0.001 0.000 1.059 679 L CA -0.392 54.453 54.840 0.007 0.000 0.816 679 L CB 0.576 42.633 42.059 -0.004 0.000 1.191 679 L HN 0.583 nan 8.230 nan 0.000 0.431 680 I N 3.050 123.616 120.570 -0.006 0.000 2.312 680 I HA 0.147 4.323 4.170 0.010 0.000 0.290 680 I C 0.231 176.297 176.117 -0.085 0.000 1.008 680 I CA -0.417 60.869 61.300 -0.023 0.000 1.226 680 I CB 1.620 39.624 38.000 0.006 0.000 1.371 680 I HN 0.538 nan 8.210 nan 0.000 0.468 681 E N 7.519 127.667 120.200 -0.086 0.000 2.130 681 E HA 0.344 4.700 4.350 0.010 0.000 0.284 681 E C -1.011 175.477 176.600 -0.187 0.000 1.018 681 E CA -0.328 56.000 56.400 -0.120 0.000 0.817 681 E CB 0.710 30.364 29.700 -0.076 0.000 1.078 681 E HN 0.449 nan 8.360 nan 0.000 0.396 682 L N 6.976 128.028 121.223 -0.286 0.000 2.426 682 L HA 0.334 4.680 4.340 0.010 0.000 0.271 682 L C -1.669 175.030 176.870 -0.285 0.000 1.169 682 L CA -1.878 52.691 54.840 -0.452 0.000 0.836 682 L CB 0.469 42.182 42.059 -0.578 0.000 1.112 682 L HN 0.581 nan 8.230 nan 0.000 0.465 683 P HA -0.019 nan 4.420 nan 0.000 0.271 683 P C -0.630 176.622 177.300 -0.079 0.000 1.218 683 P CA -0.397 62.654 63.100 -0.082 0.000 0.780 683 P CB 0.530 32.255 31.700 0.042 0.000 0.901 684 E N 2.237 122.414 120.200 -0.039 0.000 2.491 684 E HA 0.002 4.359 4.350 0.010 0.000 0.250 684 E C -0.484 176.116 176.600 0.000 0.000 1.061 684 E CA -0.078 56.305 56.400 -0.030 0.000 0.942 684 E CB -0.201 29.489 29.700 -0.017 0.000 0.957 684 E HN 0.345 nan 8.360 nan 0.000 0.480 685 L N 7.511 128.731 121.223 -0.005 0.000 2.313 685 L HA 0.263 4.610 4.340 0.010 0.000 0.282 685 L C -1.919 174.970 176.870 0.031 0.000 1.092 685 L CA -2.001 52.861 54.840 0.037 0.000 0.831 685 L CB 0.505 42.589 42.059 0.042 0.000 1.159 685 L HN 0.449 nan 8.230 nan 0.000 0.442 686 P HA 0.141 nan 4.420 nan 0.000 0.270 686 P C -0.956 176.363 177.300 0.032 0.000 1.242 686 P CA -0.340 62.779 63.100 0.031 0.000 0.768 686 P CB 0.493 32.213 31.700 0.033 0.000 0.820 687 Q N 4.225 124.039 119.800 0.023 0.000 2.327 687 Q HA 0.311 4.657 4.340 0.010 0.000 0.254 687 Q C -1.615 174.399 176.000 0.023 0.000 0.952 687 Q CA -1.335 54.482 55.803 0.022 0.000 0.884 687 Q CB 0.003 28.748 28.738 0.013 0.000 1.224 687 Q HN 0.442 nan 8.270 nan 0.000 0.422 688 P HA 0.120 nan 4.420 nan 0.000 0.278 688 P C -0.477 176.836 177.300 0.023 0.000 1.266 688 P CA -0.332 62.784 63.100 0.027 0.000 0.807 688 P CB 1.140 32.859 31.700 0.033 0.000 1.094 689 E N -0.182 120.030 120.200 0.021 0.000 2.042 689 E HA -0.017 4.339 4.350 0.010 0.000 0.189 689 E C 0.645 177.259 176.600 0.023 0.000 0.974 689 E CA 0.582 56.993 56.400 0.020 0.000 0.806 689 E CB -0.242 29.468 29.700 0.017 0.000 0.769 689 E HN 0.580 nan 8.360 nan 0.000 0.451 690 S N 1.097 116.813 115.700 0.026 0.000 2.568 690 S HA 0.321 4.797 4.470 0.010 0.000 0.282 690 S C 0.222 174.844 174.600 0.037 0.000 1.338 690 S CA -0.505 57.713 58.200 0.030 0.000 1.045 690 S CB 1.206 64.425 63.200 0.031 0.000 0.873 690 S HN 0.249 nan 8.310 nan 0.000 0.516 691 A N 2.348 125.192 122.820 0.040 0.000 2.406 691 A HA 0.725 5.051 4.320 0.010 0.000 0.243 691 A C 1.005 178.625 177.584 0.059 0.000 1.082 691 A CA 0.216 52.279 52.037 0.045 0.000 0.786 691 A CB -0.583 18.444 19.000 0.045 0.000 1.029 691 A HN 2.247 nan 8.150 nan 0.000 0.495 692 G N -0.805 108.034 108.800 0.064 0.000 2.369 692 G HA2 0.450 4.416 3.960 0.010 0.000 0.295 692 G HA3 0.450 4.416 3.960 0.010 0.000 0.295 692 G C -1.251 173.698 174.900 0.082 0.000 1.298 692 G CA -0.149 45.006 45.100 0.091 0.000 0.940 692 G HN 1.148 nan 8.290 nan 0.000 0.536 693 Q N -0.073 119.803 119.800 0.127 0.000 2.333 693 Q HA 0.717 5.063 4.340 0.010 0.000 0.265 693 Q C -0.327 175.752 176.000 0.132 0.000 0.989 693 Q CA -0.591 55.251 55.803 0.065 0.000 0.842 693 Q CB 1.269 30.026 28.738 0.031 0.000 1.262 693 Q HN 0.584 nan 8.270 nan 0.000 0.451 694 L N 4.065 125.296 121.223 0.014 0.000 2.380 694 L HA 0.359 4.705 4.340 0.010 0.000 0.273 694 L C -0.710 176.145 176.870 -0.024 0.000 1.138 694 L CA -0.131 54.750 54.840 0.069 0.000 0.832 694 L CB 0.577 42.656 42.059 0.033 0.000 1.124 694 L HN 0.665 nan 8.230 nan 0.000 0.454 695 W N 4.600 125.954 121.300 0.091 0.000 2.554 695 W HA 0.439 5.105 4.660 0.010 0.000 0.324 695 W C -0.616 176.000 176.519 0.162 0.000 1.018 695 W CA -0.514 56.904 57.345 0.123 0.000 1.243 695 W CB 1.565 31.109 29.460 0.140 0.000 1.345 695 W HN 0.165 nan 8.180 nan 0.000 0.441 696 L N 4.108 125.564 121.223 0.389 0.000 2.326 696 L HA 0.715 5.062 4.340 0.010 0.000 0.278 696 L C -0.075 177.085 176.870 0.482 0.000 1.092 696 L CA 0.630 55.716 54.840 0.410 0.000 0.810 696 L CB 1.001 43.275 42.059 0.358 0.000 1.153 696 L HN 0.314 nan 8.230 nan 0.000 0.439 697 T N 4.961 119.756 114.554 0.401 0.000 2.937 697 T HA 0.566 4.922 4.350 0.010 0.000 0.297 697 T C -0.839 174.048 174.700 0.312 0.000 0.991 697 T CA -0.479 61.813 62.100 0.319 0.000 0.990 697 T CB 1.379 70.377 68.868 0.216 0.000 0.991 697 T HN 0.584 nan 8.240 nan 0.000 0.440 698 V N 1.710 121.783 119.914 0.265 0.000 2.581 698 V HA 0.837 4.963 4.120 0.010 0.000 0.303 698 V C -0.591 175.584 176.094 0.135 0.000 1.041 698 V CA -1.110 61.313 62.300 0.206 0.000 0.907 698 V CB 1.718 33.623 31.823 0.138 0.000 0.994 698 V HN 0.810 nan 8.190 nan 0.000 0.442 699 R N 2.488 123.093 120.500 0.176 0.000 2.538 699 R HA 0.675 5.021 4.340 0.010 0.000 0.292 699 R C -1.478 174.909 176.300 0.146 0.000 1.008 699 R CA -0.723 55.496 56.100 0.200 0.000 0.896 699 R CB 2.541 32.960 30.300 0.198 0.000 1.187 699 R HN 0.707 nan 8.270 nan 0.000 0.440 700 V N 4.301 124.332 119.914 0.195 0.000 2.427 700 V HA 0.210 4.336 4.120 0.010 0.000 0.268 700 V C 0.034 176.175 176.094 0.079 0.000 1.046 700 V CA -0.385 61.986 62.300 0.118 0.000 0.970 700 V CB 1.238 33.154 31.823 0.155 0.000 1.001 700 V HN 0.432 nan 8.190 nan 0.000 0.476 701 V N 5.408 125.290 119.914 -0.055 0.000 2.513 701 V HA 0.369 4.495 4.120 0.010 0.000 0.299 701 V C -0.073 176.016 176.094 -0.009 0.000 1.035 701 V CA -0.757 61.505 62.300 -0.063 0.000 0.889 701 V CB 1.892 33.558 31.823 -0.262 0.000 0.988 701 V HN 0.883 nan 8.190 nan 0.000 0.440 702 Q N 5.353 125.193 119.800 0.066 0.000 2.377 702 Q HA 0.257 4.603 4.340 0.010 0.000 0.249 702 Q C -1.815 174.198 176.000 0.022 0.000 1.005 702 Q CA -1.689 54.149 55.803 0.058 0.000 0.912 702 Q CB 1.677 30.465 28.738 0.084 0.000 1.223 702 Q HN 0.482 nan 8.270 nan 0.000 0.459 703 P HA -0.122 nan 4.420 nan 0.000 0.219 703 P C -0.410 176.890 177.300 -0.001 0.000 1.150 703 P CA 1.109 64.215 63.100 0.009 0.000 0.814 703 P CB 0.453 32.160 31.700 0.011 0.000 0.787 704 N N -0.723 117.965 118.700 -0.018 0.000 2.417 704 N HA 0.447 5.193 4.740 0.010 0.000 0.300 704 N C -0.358 175.103 175.510 -0.082 0.000 1.102 704 N CA -0.714 52.314 53.050 -0.038 0.000 0.886 704 N CB 0.821 39.289 38.487 -0.032 0.000 1.203 704 N HN -0.096 nan 8.380 nan 0.000 0.496 705 A N 0.533 123.303 122.820 -0.085 0.000 2.448 705 A HA 0.504 4.830 4.320 0.010 0.000 0.239 705 A C 0.649 178.121 177.584 -0.187 0.000 1.080 705 A CA 0.118 52.075 52.037 -0.133 0.000 0.779 705 A CB -0.174 18.776 19.000 -0.084 0.000 1.026 705 A HN 0.756 nan 8.150 nan 0.000 0.499 706 T N -3.031 111.343 114.554 -0.300 0.000 2.742 706 T HA 0.636 4.992 4.350 0.010 0.000 0.282 706 T C 0.981 175.558 174.700 -0.205 0.000 1.025 706 T CA 0.004 61.909 62.100 -0.326 0.000 1.020 706 T CB 1.123 69.573 68.868 -0.696 0.000 1.317 706 T HN 1.374 nan 8.240 nan 0.000 0.538 707 A N -0.042 122.749 122.820 -0.047 0.000 2.019 707 A HA 0.065 4.391 4.320 0.010 0.000 0.219 707 A C 1.795 179.569 177.584 0.315 0.000 1.164 707 A CA 1.390 53.520 52.037 0.155 0.000 0.644 707 A CB -0.949 18.169 19.000 0.196 0.000 0.805 707 A HN 0.926 nan 8.150 nan 0.000 0.449 708 W N -0.862 120.513 121.300 0.126 0.000 2.940 708 W HA 0.347 5.014 4.660 0.011 0.000 0.297 708 W C 0.047 176.542 176.519 -0.040 0.000 1.149 708 W CA 0.638 58.008 57.345 0.042 0.000 1.564 708 W CB -0.832 28.638 29.460 0.016 0.000 1.010 708 W HN 0.410 nan 8.180 nan 0.000 0.578 709 S N 0.408 115.743 115.700 -0.610 0.000 2.595 709 S HA 0.519 4.995 4.470 0.010 0.000 0.281 709 S C -1.032 173.355 174.600 -0.354 0.000 1.117 709 S CA -0.667 57.190 58.200 -0.571 0.000 0.873 709 S CB 2.917 65.414 63.200 -1.171 0.000 1.108 709 S HN 0.074 nan 8.310 nan 0.000 0.477 710 E N 0.594 120.697 120.200 -0.161 0.000 2.280 710 E HA 0.621 4.977 4.350 0.010 0.000 0.264 710 E C 0.106 176.681 176.600 -0.042 0.000 1.064 710 E CA -0.835 55.522 56.400 -0.072 0.000 0.900 710 E CB 1.189 30.888 29.700 -0.000 0.000 1.123 710 E HN 0.894 nan 8.360 nan 0.000 0.418 711 A N 0.925 123.729 122.820 -0.027 0.000 2.540 711 A HA 0.374 4.700 4.320 0.010 0.000 0.239 711 A C 1.130 178.736 177.584 0.036 0.000 1.061 711 A CA 0.829 52.864 52.037 -0.004 0.000 0.758 711 A CB -0.646 18.352 19.000 -0.003 0.000 0.991 711 A HN 0.828 nan 8.150 nan 0.000 0.502 712 G N 0.883 109.713 108.800 0.051 0.000 2.176 712 G HA2 -0.253 3.713 3.960 0.010 0.000 0.253 712 G HA3 -0.253 3.713 3.960 0.010 0.000 0.253 712 G C 0.239 175.195 174.900 0.093 0.000 0.979 712 G CA 0.681 45.823 45.100 0.070 0.000 0.641 712 G HN 1.716 nan 8.290 nan 0.000 0.530 713 H N 0.327 119.409 119.070 0.019 0.000 2.972 713 H HA 0.422 4.984 4.556 0.010 0.000 0.343 713 H C 0.613 176.006 175.328 0.110 0.000 1.054 713 H CA 0.627 56.709 56.048 0.056 0.000 1.412 713 H CB 0.214 29.984 29.762 0.013 0.000 1.385 713 H HN 0.282 nan 8.280 nan 0.000 0.600 714 I N 4.515 124.793 120.570 -0.486 0.000 2.330 714 I HA 0.065 4.241 4.170 0.010 0.000 0.289 714 I C 0.932 176.965 176.117 -0.139 0.000 1.001 714 I CA -0.034 61.168 61.300 -0.163 0.000 1.193 714 I CB 1.633 39.617 38.000 -0.027 0.000 1.345 714 I HN 0.767 nan 8.210 nan 0.000 0.461 715 S N 4.213 120.052 115.700 0.232 0.000 2.486 715 S HA 0.499 4.975 4.470 0.010 0.000 0.220 715 S C 0.622 175.477 174.600 0.426 0.000 1.011 715 S CA 0.106 58.580 58.200 0.457 0.000 0.921 715 S CB 0.441 64.012 63.200 0.618 0.000 0.785 715 S HN 0.670 nan 8.310 nan 0.000 0.517 716 A N 0.396 123.477 122.820 0.436 0.000 2.594 716 A HA 0.684 5.010 4.320 0.010 0.000 0.295 716 A C -1.616 176.272 177.584 0.507 0.000 1.071 716 A CA -0.975 51.288 52.037 0.378 0.000 0.685 716 A CB 0.623 19.927 19.000 0.507 0.000 1.285 716 A HN 0.852 nan 8.150 nan 0.000 0.405 717 W N -0.113 121.340 121.300 0.254 0.000 3.025 717 W HA 0.836 5.503 4.660 0.011 0.000 0.343 717 W C -1.137 175.406 176.519 0.040 0.000 1.246 717 W CA -0.707 56.687 57.345 0.081 0.000 1.178 717 W CB 1.261 30.754 29.460 0.056 0.000 1.463 717 W HN 0.899 nan 8.180 nan 0.000 0.578 718 Q N 0.916 120.741 119.800 0.042 0.000 2.527 718 Q HA 0.394 4.740 4.340 0.010 0.000 0.280 718 Q C -1.617 174.211 176.000 -0.287 0.000 0.977 718 Q CA -0.499 55.169 55.803 -0.224 0.000 0.837 718 Q CB 2.467 30.837 28.738 -0.613 0.000 1.454 718 Q HN 0.604 nan 8.270 nan 0.000 0.387 719 Q N 1.348 120.906 119.800 -0.405 0.000 2.394 719 Q HA 0.613 4.959 4.340 0.010 0.000 0.273 719 Q C -1.198 174.574 176.000 -0.380 0.000 1.089 719 Q CA -0.651 55.077 55.803 -0.126 0.000 0.812 719 Q CB 2.201 31.085 28.738 0.243 0.000 1.353 719 Q HN 0.588 nan 8.270 nan 0.000 0.438 720 W N 1.141 122.563 121.300 0.203 0.000 3.033 720 W HA 0.455 5.121 4.660 0.010 0.000 0.336 720 W C -0.351 176.043 176.519 -0.208 0.000 1.173 720 W CA -0.696 56.666 57.345 0.029 0.000 1.185 720 W CB 1.630 31.093 29.460 0.004 0.000 1.425 720 W HN 0.416 nan 8.180 nan 0.000 0.536 721 R N 1.737 122.082 120.500 -0.257 0.000 2.340 721 R HA 0.418 4.764 4.340 0.010 0.000 0.300 721 R C 0.481 176.629 176.300 -0.254 0.000 1.069 721 R CA -0.138 55.585 56.100 -0.629 0.000 0.984 721 R CB 1.029 30.916 30.300 -0.689 0.000 1.003 721 R HN 0.295 nan 8.270 nan 0.000 0.459 722 L N 1.422 122.499 121.223 -0.243 0.000 2.719 722 L HA 0.516 4.863 4.340 0.010 0.000 0.182 722 L C 0.643 177.433 176.870 -0.132 0.000 1.940 722 L CA -0.917 53.847 54.840 -0.127 0.000 2.839 722 L CB -0.148 41.874 42.059 -0.061 0.000 2.949 722 L HN 0.576 nan 8.230 nan 0.000 0.669 723 A N 0.238 123.008 122.820 -0.084 0.000 2.445 723 A HA 0.249 4.576 4.320 0.010 0.000 0.242 723 A C -0.346 177.197 177.584 -0.069 0.000 1.075 723 A CA 0.164 52.163 52.037 -0.065 0.000 0.777 723 A CB 0.212 19.190 19.000 -0.037 0.000 1.013 723 A HN 0.584 nan 8.150 nan 0.000 0.493 724 E N 1.098 121.265 120.200 -0.055 0.000 2.234 724 E HA 0.285 4.641 4.350 0.010 0.000 0.266 724 E C -1.419 175.174 176.600 -0.011 0.000 0.877 724 E CA -0.734 55.644 56.400 -0.038 0.000 0.758 724 E CB 0.899 30.566 29.700 -0.054 0.000 1.170 724 E HN 0.684 nan 8.360 nan 0.000 0.415 725 N N 4.787 123.491 118.700 0.008 0.000 2.501 725 N HA 0.275 5.021 4.740 0.010 0.000 0.245 725 N C -0.614 174.911 175.510 0.026 0.000 0.974 725 N CA -0.292 52.767 53.050 0.016 0.000 0.941 725 N CB 1.041 39.541 38.487 0.021 0.000 1.122 725 N HN 0.453 nan 8.380 nan 0.000 0.507 726 L N 0.833 122.070 121.223 0.024 0.000 2.367 726 L HA 0.144 4.491 4.340 0.010 0.000 0.275 726 L C 1.244 178.135 176.870 0.035 0.000 1.129 726 L CA -0.163 54.697 54.840 0.032 0.000 0.839 726 L CB 0.624 42.700 42.059 0.029 0.000 1.133 726 L HN 0.369 nan 8.230 nan 0.000 0.453 727 S N 1.946 117.672 115.700 0.043 0.000 2.481 727 S HA 0.153 4.629 4.470 0.010 0.000 0.282 727 S C 0.834 175.456 174.600 0.037 0.000 1.243 727 S CA -0.766 57.460 58.200 0.042 0.000 1.078 727 S CB 0.644 63.874 63.200 0.051 0.000 0.916 727 S HN 0.474 nan 8.310 nan 0.000 0.495 728 V N 2.571 122.504 119.914 0.030 0.000 3.661 728 V HA 0.275 4.402 4.120 0.010 0.000 0.271 728 V C 0.884 176.992 176.094 0.025 0.000 1.315 728 V CA 0.315 62.631 62.300 0.026 0.000 1.072 728 V CB -0.870 30.965 31.823 0.021 0.000 0.830 728 V HN 0.863 nan 8.190 nan 0.000 0.443 729 T N 1.016 115.586 114.554 0.026 0.000 2.794 729 T HA 0.680 5.036 4.350 0.010 0.000 0.296 729 T C -0.444 174.273 174.700 0.027 0.000 0.949 729 T CA -0.335 61.780 62.100 0.024 0.000 1.101 729 T CB 1.397 70.280 68.868 0.024 0.000 0.905 729 T HN 0.181 nan 8.240 nan 0.000 0.516 730 L N 3.959 125.196 121.223 0.022 0.000 2.399 730 L HA 0.542 4.888 4.340 0.010 0.000 0.265 730 L C -1.575 175.308 176.870 0.022 0.000 1.089 730 L CA -1.889 52.964 54.840 0.023 0.000 0.802 730 L CB -0.478 41.590 42.059 0.016 0.000 1.180 730 L HN 0.568 nan 8.230 nan 0.000 0.454 731 P HA 0.285 nan 4.420 nan 0.000 0.271 731 P C -0.837 176.467 177.300 0.006 0.000 1.233 731 P CA -0.538 62.576 63.100 0.024 0.000 0.789 731 P CB 0.387 32.106 31.700 0.032 0.000 0.951 732 A N 1.175 123.996 122.820 0.001 0.000 2.386 732 A HA 0.474 4.800 4.320 0.010 0.000 0.246 732 A C 0.388 177.921 177.584 -0.085 0.000 1.089 732 A CA -0.008 52.009 52.037 -0.034 0.000 0.790 732 A CB -0.535 18.450 19.000 -0.026 0.000 1.042 732 A HN 0.656 nan 8.150 nan 0.000 0.497 733 A N 1.679 124.429 122.820 -0.116 0.000 2.522 733 A HA 0.463 4.789 4.320 0.010 0.000 0.256 733 A C 0.966 178.392 177.584 -0.264 0.000 1.086 733 A CA 0.378 52.330 52.037 -0.141 0.000 0.763 733 A CB -0.811 18.122 19.000 -0.111 0.000 1.024 733 A HN 1.894 nan 8.150 nan 0.000 0.502 734 S N 2.397 117.988 115.700 -0.181 0.000 2.552 734 S HA 0.064 4.541 4.470 0.010 0.000 0.289 734 S C 0.483 174.964 174.600 -0.199 0.000 1.304 734 S CA 0.253 58.351 58.200 -0.171 0.000 1.063 734 S CB 0.007 63.177 63.200 -0.049 0.000 0.848 734 S HN 0.708 nan 8.310 nan 0.000 0.499 735 H N 1.655 120.727 119.070 0.004 0.000 2.547 735 H HA 0.472 5.034 4.556 0.010 0.000 0.272 735 H C 0.897 176.224 175.328 -0.002 0.000 0.989 735 H CA 0.982 57.032 56.048 0.003 0.000 1.214 735 H CB -0.002 29.765 29.762 0.008 0.000 1.389 735 H HN 0.866 nan 8.280 nan 0.000 0.577 736 A N 0.164 123.032 122.820 0.079 0.000 2.529 736 A HA 0.612 4.938 4.320 0.010 0.000 0.296 736 A C -1.595 175.972 177.584 -0.027 0.000 1.205 736 A CA -0.732 51.319 52.037 0.024 0.000 0.671 736 A CB 1.106 20.122 19.000 0.027 0.000 1.301 736 A HN 0.166 nan 8.150 nan 0.000 0.450 737 I N 1.129 121.646 120.570 -0.089 0.000 2.512 737 I HA 0.510 4.686 4.170 0.010 0.000 0.287 737 I C -2.626 173.321 176.117 -0.283 0.000 1.069 737 I CA -2.494 58.726 61.300 -0.133 0.000 1.056 737 I CB 2.517 40.461 38.000 -0.093 0.000 1.229 737 I HN 0.462 nan 8.210 nan 0.000 0.429 738 P HA 0.148 nan 4.420 nan 0.000 0.268 738 P C -1.230 175.942 177.300 -0.214 0.000 1.205 738 P CA 0.250 63.236 63.100 -0.189 0.000 0.771 738 P CB 0.473 32.130 31.700 -0.072 0.000 0.858 739 H N 1.629 120.734 119.070 0.058 0.000 2.467 739 H HA 0.368 4.930 4.556 0.010 0.000 0.331 739 H C -0.039 175.322 175.328 0.054 0.000 1.120 739 H CA -0.548 55.526 56.048 0.043 0.000 1.270 739 H CB 1.496 31.282 29.762 0.041 0.000 1.466 739 H HN 0.306 nan 8.280 nan 0.000 0.504 740 L N 1.959 123.283 121.223 0.168 0.000 2.317 740 L HA 0.395 4.741 4.340 0.010 0.000 0.281 740 L C -0.415 176.524 176.870 0.116 0.000 1.024 740 L CA -0.113 54.795 54.840 0.113 0.000 0.810 740 L CB 1.733 43.812 42.059 0.033 0.000 1.240 740 L HN 0.517 nan 8.230 nan 0.000 0.427 741 T N 2.912 117.549 114.554 0.138 0.000 2.841 741 T HA 0.517 4.873 4.350 0.010 0.000 0.285 741 T C -0.560 174.243 174.700 0.171 0.000 0.991 741 T CA -0.436 61.735 62.100 0.119 0.000 0.966 741 T CB 1.278 70.196 68.868 0.084 0.000 0.962 741 T HN 0.659 nan 8.240 nan 0.000 0.438 742 T N 2.534 117.181 114.554 0.156 0.000 2.794 742 T HA 0.671 5.027 4.350 0.010 0.000 0.280 742 T C -0.109 174.649 174.700 0.097 0.000 0.987 742 T CA -0.559 61.664 62.100 0.205 0.000 0.993 742 T CB 1.530 70.535 68.868 0.229 0.000 0.939 742 T HN 0.531 nan 8.240 nan 0.000 0.449 743 S N 0.759 116.484 115.700 0.042 0.000 2.667 743 S HA 0.365 4.841 4.470 0.010 0.000 0.292 743 S C 1.061 175.617 174.600 -0.072 0.000 1.126 743 S CA -0.703 57.492 58.200 -0.009 0.000 0.881 743 S CB 1.892 65.087 63.200 -0.009 0.000 1.132 743 S HN 0.845 nan 8.310 nan 0.000 0.492 744 E N 0.542 120.707 120.200 -0.059 0.000 2.150 744 E HA -0.104 4.252 4.350 0.010 0.000 0.193 744 E C 1.204 177.727 176.600 -0.127 0.000 0.985 744 E CA 1.088 57.439 56.400 -0.081 0.000 0.814 744 E CB -0.019 29.654 29.700 -0.045 0.000 0.752 744 E HN 0.536 nan 8.360 nan 0.000 0.466 745 M N 0.506 120.043 119.600 -0.104 0.000 2.486 745 M HA 0.106 4.592 4.480 0.010 0.000 0.264 745 M C -0.177 176.038 176.300 -0.142 0.000 1.125 745 M CA 0.760 56.002 55.300 -0.097 0.000 1.144 745 M CB 0.207 32.783 32.600 -0.040 0.000 1.353 745 M HN -0.111 nan 8.290 nan 0.000 0.466 746 D N -0.899 119.397 120.400 -0.173 0.000 2.756 746 D HA 0.376 5.022 4.640 0.010 0.000 0.226 746 D C -1.400 174.802 176.300 -0.164 0.000 1.186 746 D CA -0.330 53.594 54.000 -0.126 0.000 0.845 746 D CB 2.268 43.083 40.800 0.024 0.000 1.610 746 D HN -0.169 nan 8.370 nan 0.000 0.465 747 F N 0.792 120.823 119.950 0.135 0.000 2.436 747 F HA 0.399 4.932 4.527 0.010 0.000 0.340 747 F C 0.184 176.110 175.800 0.210 0.000 1.113 747 F CA -0.882 57.194 58.000 0.127 0.000 1.022 747 F CB 1.259 40.300 39.000 0.068 0.000 1.128 747 F HN 0.153 nan 8.300 nan 0.000 0.466 748 C N 5.003 124.526 119.300 0.370 0.000 2.396 748 C HA 0.722 5.188 4.460 0.010 0.000 0.321 748 C C -0.271 174.891 174.990 0.287 0.000 1.233 748 C CA -0.934 58.273 59.018 0.314 0.000 1.440 748 C CB 0.403 28.263 27.740 0.200 0.000 2.110 748 C HN 0.554 nan 8.230 nan 0.000 0.473 749 I N 2.548 123.341 120.570 0.372 0.000 2.404 749 I HA 0.507 4.683 4.170 0.010 0.000 0.293 749 I C 0.018 176.396 176.117 0.435 0.000 0.992 749 I CA -0.027 61.486 61.300 0.355 0.000 1.149 749 I CB 1.178 39.353 38.000 0.293 0.000 1.315 749 I HN 0.633 nan 8.210 nan 0.000 0.446 750 E N 5.871 126.260 120.200 0.315 0.000 2.234 750 E HA 0.754 5.111 4.350 0.010 0.000 0.266 750 E C -1.842 174.903 176.600 0.240 0.000 0.877 750 E CA -0.814 55.741 56.400 0.258 0.000 0.758 750 E CB 2.093 31.892 29.700 0.164 0.000 1.170 750 E HN 0.511 nan 8.360 nan 0.000 0.415 751 L N 4.512 125.878 121.223 0.238 0.000 2.588 751 L HA 0.532 4.878 4.340 0.010 0.000 0.263 751 L C 0.295 177.234 176.870 0.115 0.000 0.935 751 L CA 0.652 55.596 54.840 0.174 0.000 0.891 751 L CB 1.566 43.777 42.059 0.253 0.000 1.318 751 L HN 0.757 nan 8.230 nan 0.000 0.409 752 G N 4.305 113.148 108.800 0.071 0.000 2.685 752 G HA2 -0.451 3.516 3.960 0.010 0.000 0.329 752 G HA3 -0.451 3.516 3.960 0.010 0.000 0.329 752 G C 0.534 175.439 174.900 0.009 0.000 1.271 752 G CA 0.889 46.011 45.100 0.037 0.000 1.003 752 G HN 1.374 nan 8.290 nan 0.000 0.549 753 N N 1.071 119.762 118.700 -0.015 0.000 2.230 753 N HA 0.165 4.911 4.740 0.010 0.000 0.202 753 N C 0.377 175.837 175.510 -0.083 0.000 1.119 753 N CA 0.578 53.601 53.050 -0.044 0.000 0.851 753 N CB 0.366 38.827 38.487 -0.042 0.000 0.990 753 N HN 0.660 nan 8.380 nan 0.000 0.497 754 K N 0.504 120.838 120.400 -0.111 0.000 2.138 754 K HA 0.467 4.793 4.320 0.010 0.000 0.263 754 K C -0.477 175.898 176.600 -0.376 0.000 0.965 754 K CA -0.445 55.649 56.287 -0.322 0.000 0.868 754 K CB 1.634 33.900 32.500 -0.390 0.000 1.083 754 K HN 0.013 nan 8.250 nan 0.000 0.443 755 R N 1.872 122.059 120.500 -0.522 0.000 2.564 755 R HA 0.370 4.717 4.340 0.010 0.000 0.284 755 R C -1.303 174.883 176.300 -0.189 0.000 1.031 755 R CA -0.764 55.236 56.100 -0.167 0.000 0.904 755 R CB 1.583 31.867 30.300 -0.026 0.000 1.199 755 R HN 0.539 nan 8.270 nan 0.000 0.443 756 W N 2.371 123.796 121.300 0.209 0.000 2.736 756 W HA 0.403 5.069 4.660 0.010 0.000 0.335 756 W C -0.362 176.274 176.519 0.195 0.000 1.059 756 W CA -0.587 56.832 57.345 0.125 0.000 1.226 756 W CB 2.250 31.778 29.460 0.114 0.000 1.416 756 W HN 0.355 nan 8.180 nan 0.000 0.505 757 Q N 2.557 122.503 119.800 0.244 0.000 2.290 757 Q HA 0.369 4.715 4.340 0.010 0.000 0.269 757 Q C -1.937 174.049 176.000 -0.023 0.000 1.016 757 Q CA -0.486 55.455 55.803 0.229 0.000 0.754 757 Q CB 1.375 30.299 28.738 0.309 0.000 1.247 757 Q HN 0.351 nan 8.270 nan 0.000 0.451 758 F N 2.758 122.793 119.950 0.143 0.000 2.388 758 F HA 0.325 4.858 4.527 0.010 0.000 0.358 758 F C 0.658 176.485 175.800 0.044 0.000 1.122 758 F CA -0.766 57.285 58.000 0.084 0.000 1.056 758 F CB 1.196 40.255 39.000 0.098 0.000 1.155 758 F HN 0.457 nan 8.300 nan 0.000 0.461 759 N N 3.575 122.372 118.700 0.162 0.000 2.470 759 N HA 0.096 4.843 4.740 0.010 0.000 0.268 759 N C 0.839 176.368 175.510 0.031 0.000 1.136 759 N CA 0.049 53.147 53.050 0.080 0.000 0.961 759 N CB 0.792 39.334 38.487 0.091 0.000 1.067 759 N HN 0.704 nan 8.380 nan 0.000 0.468 760 R N 2.049 122.494 120.500 -0.093 0.000 2.246 760 R HA -0.020 4.326 4.340 0.010 0.000 0.199 760 R C 1.685 177.926 176.300 -0.098 0.000 0.984 760 R CA 0.412 56.407 56.100 -0.174 0.000 1.015 760 R CB 0.226 30.290 30.300 -0.394 0.000 0.930 760 R HN 0.684 nan 8.270 nan 0.000 0.475 761 Q N 0.470 120.240 119.800 -0.050 0.000 2.163 761 Q HA -0.087 4.259 4.340 0.010 0.000 0.198 761 Q C 1.773 177.774 176.000 0.002 0.000 0.954 761 Q CA 1.722 57.510 55.803 -0.025 0.000 0.851 761 Q CB 0.281 29.017 28.738 -0.004 0.000 0.928 761 Q HN 0.298 nan 8.270 nan 0.000 0.459 762 S N -1.848 113.885 115.700 0.055 0.000 2.441 762 S HA 0.195 4.671 4.470 0.010 0.000 0.224 762 S C 1.396 176.008 174.600 0.021 0.000 1.043 762 S CA 0.665 58.947 58.200 0.136 0.000 0.948 762 S CB 0.455 63.840 63.200 0.308 0.000 0.810 762 S HN 0.592 nan 8.310 nan 0.000 0.504 763 G N 0.606 109.399 108.800 -0.012 0.000 2.132 763 G HA2 -0.178 3.788 3.960 0.010 0.000 0.234 763 G HA3 -0.178 3.788 3.960 0.010 0.000 0.234 763 G C -0.236 174.591 174.900 -0.122 0.000 0.989 763 G CA 0.146 45.212 45.100 -0.057 0.000 0.676 763 G HN 0.467 nan 8.290 nan 0.000 0.522 764 F N -1.084 119.032 119.950 0.277 0.000 2.538 764 F HA 0.699 5.232 4.527 0.010 0.000 0.325 764 F C 0.422 176.239 175.800 0.028 0.000 1.066 764 F CA -1.640 56.475 58.000 0.191 0.000 0.946 764 F CB 1.415 40.484 39.000 0.114 0.000 1.199 764 F HN 0.015 nan 8.300 nan 0.000 0.473 765 L N 2.202 123.424 121.223 -0.002 0.000 2.597 765 L HA 0.155 4.501 4.340 0.010 0.000 0.271 765 L C 0.976 177.719 176.870 -0.213 0.000 1.157 765 L CA 0.577 55.075 54.840 -0.570 0.000 0.928 765 L CB 0.118 41.749 42.059 -0.712 0.000 1.216 765 L HN 0.726 nan 8.230 nan 0.000 0.481 766 S N 2.546 118.129 115.700 -0.194 0.000 2.511 766 S HA 0.305 4.781 4.470 0.010 0.000 0.214 766 S C 0.496 174.979 174.600 -0.194 0.000 0.997 766 S CA -0.163 57.974 58.200 -0.104 0.000 0.908 766 S CB 0.197 63.389 63.200 -0.014 0.000 0.803 766 S HN 0.670 nan 8.310 nan 0.000 0.504 767 Q N -0.067 119.559 119.800 -0.291 0.000 2.527 767 Q HA 0.645 4.991 4.340 0.010 0.000 0.280 767 Q C -1.923 173.718 176.000 -0.597 0.000 0.977 767 Q CA -0.272 55.228 55.803 -0.505 0.000 0.837 767 Q CB 1.761 30.113 28.738 -0.643 0.000 1.454 767 Q HN 0.420 nan 8.270 nan 0.000 0.387 768 M N 1.885 121.002 119.600 -0.804 0.000 2.484 768 M HA 0.603 5.089 4.480 0.010 0.000 0.289 768 M C -1.799 174.062 176.300 -0.731 0.000 1.206 768 M CA -0.391 54.510 55.300 -0.666 0.000 0.892 768 M CB 1.814 34.044 32.600 -0.617 0.000 1.712 768 M HN 0.649 nan 8.290 nan 0.000 0.462 769 W N 5.155 126.208 121.300 -0.412 0.000 2.619 769 W HA 0.448 5.114 4.660 0.010 0.000 0.327 769 W C -1.280 175.036 176.519 -0.338 0.000 1.027 769 W CA -0.748 56.417 57.345 -0.300 0.000 1.233 769 W CB 1.676 30.995 29.460 -0.235 0.000 1.370 769 W HN 0.370 nan 8.180 nan 0.000 0.453 770 I N 3.358 123.890 120.570 -0.063 0.000 2.339 770 I HA 0.354 4.530 4.170 0.010 0.000 0.290 770 I C 1.102 177.199 176.117 -0.034 0.000 0.994 770 I CA 0.161 61.402 61.300 -0.097 0.000 1.191 770 I CB 0.353 38.268 38.000 -0.141 0.000 1.343 770 I HN 0.787 nan 8.210 nan 0.000 0.458 771 G N 7.143 115.919 108.800 -0.040 0.000 2.620 771 G HA2 -0.286 3.680 3.960 0.010 0.000 0.315 771 G HA3 -0.286 3.680 3.960 0.010 0.000 0.315 771 G C 0.425 175.331 174.900 0.009 0.000 1.179 771 G CA 0.564 45.649 45.100 -0.024 0.000 0.971 771 G HN 0.533 nan 8.290 nan 0.000 0.544 772 D N 1.011 121.435 120.400 0.039 0.000 2.500 772 D HA 0.193 4.840 4.640 0.010 0.000 0.217 772 D C 0.541 176.976 176.300 0.225 0.000 1.159 772 D CA 0.067 54.115 54.000 0.081 0.000 0.828 772 D CB 0.511 41.317 40.800 0.010 0.000 1.039 772 D HN 0.228 nan 8.370 nan 0.000 0.512 773 K N 1.544 122.039 120.400 0.157 0.000 2.172 773 K HA 0.284 4.610 4.320 0.010 0.000 0.276 773 K C 0.562 177.157 176.600 -0.009 0.000 1.013 773 K CA -0.390 55.949 56.287 0.086 0.000 0.913 773 K CB 1.998 34.498 32.500 -0.001 0.000 1.055 773 K HN -0.096 nan 8.250 nan 0.000 0.461 774 K N 1.644 121.965 120.400 -0.132 0.000 2.494 774 K HA -0.089 4.237 4.320 0.010 0.000 0.273 774 K C 1.034 177.453 176.600 -0.301 0.000 0.970 774 K CA 0.415 56.456 56.287 -0.411 0.000 0.963 774 K CB 0.415 32.754 32.500 -0.269 0.000 0.913 774 K HN 0.360 nan 8.250 nan 0.000 0.502 775 Q N 0.813 120.390 119.800 -0.372 0.000 2.157 775 Q HA 0.254 4.600 4.340 0.010 0.000 0.235 775 Q C -0.369 175.543 176.000 -0.148 0.000 0.803 775 Q CA 0.269 55.975 55.803 -0.161 0.000 0.967 775 Q CB 0.791 29.474 28.738 -0.091 0.000 1.150 775 Q HN 0.460 nan 8.270 nan 0.000 0.482 776 L N 0.337 121.408 121.223 -0.252 0.000 2.401 776 L HA 0.443 4.789 4.340 0.010 0.000 0.266 776 L C 0.602 177.339 176.870 -0.221 0.000 0.991 776 L CA -0.334 54.375 54.840 -0.219 0.000 0.818 776 L CB 2.120 44.040 42.059 -0.231 0.000 1.321 776 L HN -0.094 nan 8.230 nan 0.000 0.413 777 L N 0.120 121.206 121.223 -0.228 0.000 2.609 777 L HA 0.266 4.613 4.340 0.010 0.000 0.230 777 L C 0.059 176.815 176.870 -0.190 0.000 1.064 777 L CA 0.620 55.335 54.840 -0.208 0.000 0.873 777 L CB 0.940 42.857 42.059 -0.236 0.000 1.139 777 L HN 0.574 nan 8.230 nan 0.000 0.490 778 T N 0.648 115.060 114.554 -0.237 0.000 2.881 778 T HA 0.399 4.755 4.350 0.010 0.000 0.290 778 T C -2.553 172.076 174.700 -0.120 0.000 1.000 778 T CA -1.228 60.783 62.100 -0.147 0.000 0.978 778 T CB 2.285 71.075 68.868 -0.130 0.000 0.997 778 T HN -0.267 nan 8.240 nan 0.000 0.443 779 P HA 0.090 nan 4.420 nan 0.000 0.267 779 P C -0.426 176.832 177.300 -0.069 0.000 1.201 779 P CA -0.665 62.395 63.100 -0.066 0.000 0.775 779 P CB 0.424 32.111 31.700 -0.022 0.000 0.854 780 L N 3.991 125.210 121.223 -0.007 0.000 2.456 780 L HA 0.142 4.488 4.340 0.010 0.000 0.277 780 L C 0.277 177.128 176.870 -0.032 0.000 1.124 780 L CA 0.895 55.772 54.840 0.062 0.000 0.880 780 L CB -0.604 41.589 42.059 0.222 0.000 1.192 780 L HN 0.282 nan 8.230 nan 0.000 0.463 781 R N 3.011 123.400 120.500 -0.185 0.000 2.807 781 R HA 0.420 4.766 4.340 0.010 0.000 0.276 781 R C -0.931 175.243 176.300 -0.210 0.000 0.979 781 R CA -1.047 54.767 56.100 -0.476 0.000 0.928 781 R CB 1.332 31.244 30.300 -0.646 0.000 1.191 781 R HN 0.570 nan 8.270 nan 0.000 0.471 782 D N 1.313 121.639 120.400 -0.123 0.000 2.399 782 D HA 0.032 4.678 4.640 0.010 0.000 0.241 782 D C -0.395 175.489 176.300 -0.693 0.000 1.133 782 D CA 0.523 54.282 54.000 -0.402 0.000 0.890 782 D CB 0.713 41.192 40.800 -0.536 0.000 1.201 782 D HN 0.174 nan 8.370 nan 0.000 0.432 783 Q N 1.299 120.521 119.800 -0.963 0.000 2.271 783 Q HA 0.312 4.658 4.340 0.010 0.000 0.268 783 Q C -1.263 174.069 176.000 -1.114 0.000 1.021 783 Q CA -0.606 54.676 55.803 -0.867 0.000 0.802 783 Q CB 0.824 29.281 28.738 -0.469 0.000 1.282 783 Q HN 0.485 nan 8.270 nan 0.000 0.431 784 F N 0.554 120.115 119.950 -0.648 0.000 2.688 784 F HA 0.200 4.733 4.527 0.010 0.000 0.310 784 F C 0.466 175.834 175.800 -0.721 0.000 1.098 784 F CA -0.068 57.450 58.000 -0.803 0.000 1.228 784 F CB 1.316 39.508 39.000 -1.348 0.000 1.042 784 F HN 0.385 nan 8.300 nan 0.000 0.557 785 T N -0.868 113.368 114.554 -0.531 0.000 2.916 785 T HA 0.795 5.152 4.350 0.010 0.000 0.292 785 T C -0.546 173.872 174.700 -0.470 0.000 1.064 785 T CA -0.988 60.710 62.100 -0.670 0.000 1.011 785 T CB 2.951 71.314 68.868 -0.842 0.000 1.152 785 T HN 0.257 nan 8.240 nan 0.000 0.510 786 R N 0.111 120.366 120.500 -0.409 0.000 2.771 786 R HA 0.772 5.118 4.340 0.010 0.000 0.274 786 R C -0.658 175.657 176.300 0.025 0.000 0.987 786 R CA -1.209 54.789 56.100 -0.168 0.000 0.908 786 R CB 1.528 31.735 30.300 -0.155 0.000 1.213 786 R HN 0.830 nan 8.270 nan 0.000 0.468 787 A N 3.772 126.606 122.820 0.024 0.000 2.526 787 A HA 0.220 4.546 4.320 0.010 0.000 0.267 787 A C -1.925 175.702 177.584 0.072 0.000 1.095 787 A CA -1.035 51.024 52.037 0.037 0.000 0.775 787 A CB -0.566 18.411 19.000 -0.038 0.000 1.036 787 A HN 0.563 nan 8.150 nan 0.000 0.510 788 P HA 0.146 nan 4.420 nan 0.000 0.267 788 P C -0.111 177.284 177.300 0.159 0.000 1.205 788 P CA 0.227 63.458 63.100 0.219 0.000 0.765 788 P CB 0.473 32.336 31.700 0.272 0.000 0.828 789 L N 2.496 123.783 121.223 0.106 0.000 2.475 789 L HA 0.114 4.460 4.340 0.010 0.000 0.250 789 L C 1.888 178.773 176.870 0.026 0.000 1.224 789 L CA -0.312 54.535 54.840 0.012 0.000 0.821 789 L CB -0.244 41.757 42.059 -0.096 0.000 1.141 789 L HN 0.289 nan 8.230 nan 0.000 0.494 790 D N 0.022 120.372 120.400 -0.083 0.000 2.144 790 D HA -0.136 4.510 4.640 0.010 0.000 0.199 790 D C 1.636 177.854 176.300 -0.136 0.000 0.984 790 D CA 1.245 55.125 54.000 -0.200 0.000 0.834 790 D CB -0.089 40.510 40.800 -0.335 0.000 0.955 790 D HN 0.472 nan 8.370 nan 0.000 0.465 791 N N 1.068 119.713 118.700 -0.092 0.000 2.396 791 N HA -0.098 4.648 4.740 0.010 0.000 0.180 791 N C 1.140 176.678 175.510 0.047 0.000 1.028 791 N CA 0.641 53.668 53.050 -0.038 0.000 0.893 791 N CB -0.090 38.368 38.487 -0.049 0.000 0.967 791 N HN 0.229 nan 8.380 nan 0.000 0.440 792 D N 0.641 121.088 120.400 0.079 0.000 2.149 792 D HA 0.028 4.674 4.640 0.010 0.000 0.201 792 D C 2.037 178.414 176.300 0.129 0.000 0.972 792 D CA 0.504 54.606 54.000 0.171 0.000 0.835 792 D CB 0.056 41.040 40.800 0.305 0.000 0.966 792 D HN 0.298 nan 8.370 nan 0.000 0.476 793 I N 0.170 120.789 120.570 0.081 0.000 2.400 793 I HA 0.057 4.233 4.170 0.010 0.000 0.248 793 I C 1.849 177.992 176.117 0.043 0.000 1.109 793 I CA 0.704 62.036 61.300 0.054 0.000 1.425 793 I CB -0.411 37.598 38.000 0.016 0.000 1.094 793 I HN 0.082 nan 8.210 nan 0.000 0.425 794 G N 1.260 110.090 108.800 0.050 0.000 2.556 794 G HA2 -0.337 3.629 3.960 0.010 0.000 0.283 794 G HA3 -0.337 3.629 3.960 0.010 0.000 0.283 794 G C 0.696 175.747 174.900 0.252 0.000 1.177 794 G CA 0.794 45.977 45.100 0.139 0.000 0.978 794 G HN 0.506 nan 8.290 nan 0.000 0.554 795 V N -1.865 118.168 119.914 0.199 0.000 3.647 795 V HA 0.580 4.706 4.120 0.010 0.000 0.279 795 V C 1.375 177.511 176.094 0.069 0.000 1.314 795 V CA 1.326 63.713 62.300 0.145 0.000 1.125 795 V CB 0.103 31.919 31.823 -0.011 0.000 0.907 795 V HN 1.183 nan 8.190 nan 0.000 0.434 796 S N 0.997 116.730 115.700 0.054 0.000 2.560 796 S HA 0.307 4.783 4.470 0.010 0.000 0.284 796 S C -0.024 174.596 174.600 0.033 0.000 1.327 796 S CA 0.137 58.352 58.200 0.025 0.000 1.055 796 S CB 0.300 63.509 63.200 0.014 0.000 0.868 796 S HN 0.803 nan 8.310 nan 0.000 0.506 797 E N 0.781 120.996 120.200 0.024 0.000 2.446 797 E HA 0.545 4.902 4.350 0.010 0.000 0.276 797 E C 0.593 177.210 176.600 0.028 0.000 0.969 797 E CA -0.555 55.865 56.400 0.033 0.000 0.800 797 E CB 1.258 30.979 29.700 0.034 0.000 1.341 797 E HN 0.553 nan 8.360 nan 0.000 0.460 798 A N 0.087 122.929 122.820 0.037 0.000 1.883 798 A HA -0.196 4.130 4.320 0.010 0.000 0.217 798 A C 2.028 179.626 177.584 0.024 0.000 1.186 798 A CA 2.656 54.713 52.037 0.032 0.000 0.624 798 A CB -1.144 17.881 19.000 0.040 0.000 0.822 798 A HN 0.706 nan 8.150 nan 0.000 0.444 799 T N -3.037 111.531 114.554 0.024 0.000 2.857 799 T HA 0.012 4.368 4.350 0.010 0.000 0.266 799 T C 1.147 175.850 174.700 0.005 0.000 1.048 799 T CA 1.115 63.224 62.100 0.016 0.000 1.139 799 T CB -0.077 68.801 68.868 0.017 0.000 0.874 799 T HN 0.349 nan 8.240 nan 0.000 0.455 800 R N 0.970 121.471 120.500 0.001 0.000 2.415 800 R HA 0.398 4.744 4.340 0.010 0.000 0.292 800 R C -1.074 175.220 176.300 -0.010 0.000 1.295 800 R CA -0.651 55.442 56.100 -0.011 0.000 1.137 800 R CB 0.328 30.614 30.300 -0.023 0.000 1.135 800 R HN 0.224 nan 8.270 nan 0.000 0.560 801 I N 2.767 123.332 120.570 -0.009 0.000 2.471 801 I HA 0.037 4.213 4.170 0.010 0.000 0.286 801 I C 0.175 176.278 176.117 -0.023 0.000 1.079 801 I CA -0.018 61.276 61.300 -0.010 0.000 1.398 801 I CB 1.130 39.126 38.000 -0.006 0.000 1.403 801 I HN 0.545 nan 8.210 nan 0.000 0.530 802 D N 9.649 130.033 120.400 -0.027 0.000 2.467 802 D HA 0.275 4.921 4.640 0.010 0.000 0.220 802 D C -1.505 174.757 176.300 -0.063 0.000 1.103 802 D CA -2.070 51.905 54.000 -0.043 0.000 0.886 802 D CB 1.355 42.133 40.800 -0.035 0.000 1.025 802 D HN 0.218 nan 8.370 nan 0.000 0.514 803 P HA -0.121 nan 4.420 nan 0.000 0.222 803 P C 0.918 178.130 177.300 -0.147 0.000 1.147 803 P CA 0.600 63.646 63.100 -0.090 0.000 0.790 803 P CB 0.419 32.075 31.700 -0.074 0.000 0.780 804 N N 0.313 118.920 118.700 -0.156 0.000 2.354 804 N HA -0.007 4.739 4.740 0.010 0.000 0.179 804 N C 0.584 175.899 175.510 -0.326 0.000 1.021 804 N CA 0.265 53.178 53.050 -0.229 0.000 0.887 804 N CB -0.604 37.778 38.487 -0.176 0.000 0.974 804 N HN -0.012 nan 8.380 nan 0.000 0.437 805 A N -0.559 122.120 122.820 -0.235 0.000 2.483 805 A HA 0.042 4.369 4.320 0.010 0.000 0.238 805 A C 0.772 178.160 177.584 -0.327 0.000 1.070 805 A CA -0.252 51.646 52.037 -0.231 0.000 0.770 805 A CB -0.230 18.715 19.000 -0.091 0.000 1.008 805 A HN 0.538 nan 8.150 nan 0.000 0.497 806 W N 1.541 122.617 121.300 -0.374 0.000 2.335 806 W HA -0.175 4.491 4.660 0.010 0.000 0.311 806 W C 2.245 178.265 176.519 -0.832 0.000 1.213 806 W CA 1.614 58.487 57.345 -0.787 0.000 1.274 806 W CB -0.358 28.536 29.460 -0.943 0.000 1.148 806 W HN 0.560 nan 8.180 nan 0.000 0.498 807 V N 0.942 120.811 119.914 -0.076 0.000 2.392 807 V HA -0.276 3.850 4.120 0.010 0.000 0.249 807 V C 2.104 178.293 176.094 0.159 0.000 1.059 807 V CA 2.148 64.589 62.300 0.235 0.000 1.051 807 V CB -0.341 31.623 31.823 0.235 0.000 0.658 807 V HN 0.106 nan 8.190 nan 0.000 0.455 808 E N -0.191 120.012 120.200 0.006 0.000 2.107 808 E HA -0.128 4.228 4.350 0.010 0.000 0.191 808 E C 2.343 178.923 176.600 -0.035 0.000 0.982 808 E CA 0.850 57.247 56.400 -0.005 0.000 0.809 808 E CB -0.317 29.357 29.700 -0.044 0.000 0.756 808 E HN 0.616 nan 8.360 nan 0.000 0.459 809 R N -0.054 120.353 120.500 -0.156 0.000 2.081 809 R HA -0.115 4.231 4.340 0.010 0.000 0.235 809 R C 2.282 178.518 176.300 -0.105 0.000 1.131 809 R CA 1.273 57.249 56.100 -0.205 0.000 0.960 809 R CB -0.174 29.884 30.300 -0.403 0.000 0.856 809 R HN 0.260 nan 8.270 nan 0.000 0.436 810 W N 1.457 122.744 121.300 -0.022 0.000 2.379 810 W HA -0.070 4.596 4.660 0.010 0.000 0.307 810 W C 2.021 178.566 176.519 0.044 0.000 1.200 810 W CA 0.620 57.864 57.345 -0.168 0.000 1.297 810 W CB -0.760 28.730 29.460 0.051 0.000 1.140 810 W HN 0.108 nan 8.180 nan 0.000 0.507 811 K N 0.232 120.880 120.400 0.413 0.000 2.001 811 K HA -0.166 4.160 4.320 0.010 0.000 0.214 811 K C 2.276 178.954 176.600 0.129 0.000 1.050 811 K CA 2.189 58.646 56.287 0.283 0.000 0.934 811 K CB -0.682 31.908 32.500 0.149 0.000 0.718 811 K HN -0.004 nan 8.250 nan 0.000 0.443 812 A N 1.048 123.913 122.820 0.074 0.000 1.972 812 A HA -0.085 4.241 4.320 0.010 0.000 0.219 812 A C 2.231 179.830 177.584 0.025 0.000 1.169 812 A CA 1.784 53.844 52.037 0.039 0.000 0.635 812 A CB -0.576 18.435 19.000 0.017 0.000 0.810 812 A HN 0.378 nan 8.150 nan 0.000 0.446 813 A N -1.910 120.930 122.820 0.034 0.000 2.168 813 A HA 0.370 4.696 4.320 0.010 0.000 0.215 813 A C 1.870 179.489 177.584 0.060 0.000 1.152 813 A CA 1.399 53.487 52.037 0.085 0.000 0.716 813 A CB -0.834 18.237 19.000 0.118 0.000 0.794 813 A HN 1.900 nan 8.150 nan 0.000 0.465 814 G N -2.032 106.713 108.800 -0.091 0.000 2.141 814 G HA2 -0.269 3.697 3.960 0.010 0.000 0.231 814 G HA3 -0.269 3.697 3.960 0.010 0.000 0.231 814 G C 0.609 175.538 174.900 0.049 0.000 0.984 814 G CA 0.569 45.364 45.100 -0.507 0.000 0.660 814 G HN 0.708 nan 8.290 nan 0.000 0.525 815 H N -1.257 117.853 119.070 0.066 0.000 2.352 815 H HA -0.132 4.430 4.556 0.010 0.000 0.299 815 H C 2.214 177.564 175.328 0.036 0.000 1.097 815 H CA 1.813 57.922 56.048 0.102 0.000 1.311 815 H CB 0.080 29.860 29.762 0.030 0.000 1.377 815 H HN 0.594 nan 8.280 nan 0.000 0.504 816 Y N 0.925 121.367 120.300 0.237 0.000 2.457 816 Y HA -0.115 4.441 4.550 0.010 0.000 0.292 816 Y C 2.314 178.310 175.900 0.160 0.000 1.125 816 Y CA 0.923 59.116 58.100 0.154 0.000 1.254 816 Y CB 0.265 38.795 38.460 0.117 0.000 1.012 816 Y HN 0.382 nan 8.280 nan 0.000 0.555 817 Q N -0.533 119.458 119.800 0.318 0.000 2.171 817 Q HA 0.419 4.766 4.340 0.010 0.000 0.218 817 Q C 0.391 176.601 176.000 0.351 0.000 0.822 817 Q CA -0.078 55.906 55.803 0.302 0.000 0.987 817 Q CB 0.362 29.272 28.738 0.288 0.000 1.144 817 Q HN 0.143 nan 8.270 nan 0.000 0.494 818 A N 1.684 124.734 122.820 0.383 0.000 2.511 818 A HA 0.138 4.464 4.320 0.010 0.000 0.242 818 A C -0.390 177.478 177.584 0.473 0.000 1.069 818 A CA 0.200 52.507 52.037 0.449 0.000 0.763 818 A CB 0.211 19.506 19.000 0.492 0.000 1.001 818 A HN 0.395 nan 8.150 nan 0.000 0.498 819 E N 0.939 121.323 120.200 0.307 0.000 2.183 819 E HA 0.497 4.853 4.350 0.010 0.000 0.271 819 E C -0.323 176.217 176.600 -0.100 0.000 0.919 819 E CA -0.735 55.763 56.400 0.163 0.000 0.781 819 E CB 1.921 31.698 29.700 0.128 0.000 1.140 819 E HN 0.790 nan 8.360 nan 0.000 0.402 820 A N 2.360 125.006 122.820 -0.291 0.000 2.438 820 A HA 0.435 4.762 4.320 0.010 0.000 0.280 820 A C 0.029 177.476 177.584 -0.228 0.000 1.160 820 A CA -0.153 51.486 52.037 -0.664 0.000 0.821 820 A CB -0.075 18.608 19.000 -0.528 0.000 1.101 820 A HN 0.566 nan 8.150 nan 0.000 0.515 821 A N 3.135 125.819 122.820 -0.228 0.000 2.320 821 A HA 0.539 4.865 4.320 0.010 0.000 0.287 821 A C -0.097 177.374 177.584 -0.189 0.000 1.181 821 A CA -0.484 51.476 52.037 -0.128 0.000 0.831 821 A CB 0.149 19.100 19.000 -0.081 0.000 1.102 821 A HN 1.254 nan 8.150 nan 0.000 0.513 822 L N 3.282 124.369 121.223 -0.227 0.000 2.367 822 L HA 0.366 4.712 4.340 0.010 0.000 0.275 822 L C 0.408 177.116 176.870 -0.270 0.000 1.129 822 L CA 0.338 54.917 54.840 -0.434 0.000 0.839 822 L CB 0.437 42.271 42.059 -0.374 0.000 1.133 822 L HN 0.756 nan 8.230 nan 0.000 0.453 823 L N 3.050 124.108 121.223 -0.276 0.000 2.500 823 L HA 0.361 4.707 4.340 0.010 0.000 0.219 823 L C 0.465 177.271 176.870 -0.107 0.000 1.057 823 L CA 0.025 54.784 54.840 -0.134 0.000 0.854 823 L CB 0.057 42.072 42.059 -0.072 0.000 1.078 823 L HN 0.685 nan 8.230 nan 0.000 0.480 824 Q N -0.188 119.530 119.800 -0.137 0.000 2.353 824 Q HA 0.405 4.751 4.340 0.010 0.000 0.275 824 Q C -2.011 173.953 176.000 -0.060 0.000 1.029 824 Q CA -0.466 55.298 55.803 -0.065 0.000 0.848 824 Q CB 3.260 31.985 28.738 -0.021 0.000 1.390 824 Q HN 0.108 nan 8.270 nan 0.000 0.401 825 C N 3.204 122.511 119.300 0.012 0.000 2.982 825 C HA 0.682 5.148 4.460 0.010 0.000 0.372 825 C C -0.938 174.200 174.990 0.248 0.000 1.061 825 C CA 0.205 59.285 59.018 0.103 0.000 1.309 825 C CB 0.358 28.137 27.740 0.065 0.000 1.766 825 C HN 0.853 nan 8.230 nan 0.000 0.504 826 T N 2.211 116.855 114.554 0.151 0.000 2.901 826 T HA 0.909 5.265 4.350 0.010 0.000 0.293 826 T C -0.498 173.942 174.700 -0.432 0.000 1.084 826 T CA -0.338 61.767 62.100 0.007 0.000 1.008 826 T CB 1.972 70.820 68.868 -0.034 0.000 1.170 826 T HN 1.663 nan 8.240 nan 0.000 0.509 827 A N 1.430 123.787 122.820 -0.772 0.000 2.359 827 A HA 0.711 5.037 4.320 0.010 0.000 0.303 827 A C -1.202 176.126 177.584 -0.427 0.000 1.066 827 A CA -0.759 50.767 52.037 -0.852 0.000 0.730 827 A CB 1.098 19.181 19.000 -1.529 0.000 1.211 827 A HN 0.850 nan 8.150 nan 0.000 0.439 828 D N 1.766 121.989 120.400 -0.296 0.000 2.649 828 D HA 0.392 5.038 4.640 0.010 0.000 0.249 828 D C -0.805 175.406 176.300 -0.149 0.000 1.112 828 D CA 0.029 53.922 54.000 -0.179 0.000 0.850 828 D CB 2.185 42.908 40.800 -0.128 0.000 1.399 828 D HN 0.409 nan 8.370 nan 0.000 0.503 829 T N 2.819 117.308 114.554 -0.107 0.000 2.727 829 T HA 0.326 4.682 4.350 0.010 0.000 0.298 829 T C 0.994 175.657 174.700 -0.061 0.000 0.942 829 T CA -0.397 61.657 62.100 -0.078 0.000 0.997 829 T CB 0.501 69.341 68.868 -0.046 0.000 0.917 829 T HN 0.097 nan 8.240 nan 0.000 0.487 830 L N 1.717 122.901 121.223 -0.064 0.000 2.642 830 L HA 0.518 4.865 4.340 0.010 0.000 0.229 830 L C 2.051 178.897 176.870 -0.040 0.000 1.179 830 L CA -0.912 53.898 54.840 -0.051 0.000 0.834 830 L CB -0.015 42.012 42.059 -0.054 0.000 1.515 830 L HN 0.625 nan 8.230 nan 0.000 0.512 831 A N -0.104 122.696 122.820 -0.034 0.000 2.067 831 A HA -0.090 4.236 4.320 0.010 0.000 0.217 831 A C 1.124 178.689 177.584 -0.033 0.000 1.156 831 A CA 1.452 53.473 52.037 -0.028 0.000 0.683 831 A CB -0.365 18.621 19.000 -0.023 0.000 0.808 831 A HN 0.899 nan 8.150 nan 0.000 0.455 832 D N -2.666 117.710 120.400 -0.040 0.000 2.538 832 D HA 0.471 5.117 4.640 0.010 0.000 0.241 832 D C 0.044 176.309 176.300 -0.057 0.000 1.297 832 D CA 0.772 54.745 54.000 -0.045 0.000 0.804 832 D CB -0.090 40.687 40.800 -0.039 0.000 1.122 832 D HN 0.364 nan 8.370 nan 0.000 0.519 833 A N -0.163 122.618 122.820 -0.066 0.000 2.599 833 A HA 0.622 4.948 4.320 0.010 0.000 0.290 833 A C -1.558 175.966 177.584 -0.100 0.000 1.101 833 A CA -0.637 51.347 52.037 -0.088 0.000 0.674 833 A CB 1.714 20.665 19.000 -0.083 0.000 1.277 833 A HN -0.005 nan 8.150 nan 0.000 0.419 834 V N 0.498 120.333 119.914 -0.132 0.000 2.581 834 V HA 0.647 4.774 4.120 0.010 0.000 0.303 834 V C -0.856 175.133 176.094 -0.175 0.000 1.041 834 V CA -0.478 61.731 62.300 -0.150 0.000 0.907 834 V CB 1.432 33.165 31.823 -0.151 0.000 0.994 834 V HN 0.825 nan 8.190 nan 0.000 0.442 835 L N 5.874 126.985 121.223 -0.186 0.000 2.342 835 L HA 0.587 4.933 4.340 0.010 0.000 0.276 835 L C -0.704 176.018 176.870 -0.248 0.000 0.997 835 L CA -0.028 54.709 54.840 -0.173 0.000 0.838 835 L CB 1.079 43.067 42.059 -0.119 0.000 1.224 835 L HN 0.419 nan 8.230 nan 0.000 0.416 836 I N 4.154 124.554 120.570 -0.283 0.000 2.325 836 I HA 0.340 4.516 4.170 0.010 0.000 0.291 836 I C 0.137 176.204 176.117 -0.083 0.000 1.019 836 I CA -0.076 61.002 61.300 -0.370 0.000 1.302 836 I CB 1.086 38.538 38.000 -0.914 0.000 1.401 836 I HN 0.544 nan 8.210 nan 0.000 0.485 837 T N 5.374 119.889 114.554 -0.066 0.000 2.792 837 T HA 0.592 4.948 4.350 0.010 0.000 0.280 837 T C 0.271 175.018 174.700 0.078 0.000 0.990 837 T CA -0.491 61.629 62.100 0.032 0.000 0.960 837 T CB 1.699 70.564 68.868 -0.006 0.000 0.939 837 T HN 0.783 nan 8.240 nan 0.000 0.439 838 T N -0.253 114.394 114.554 0.155 0.000 2.901 838 T HA 0.895 5.251 4.350 0.010 0.000 0.293 838 T C -1.066 173.721 174.700 0.144 0.000 1.084 838 T CA -1.064 61.127 62.100 0.151 0.000 1.008 838 T CB 2.028 71.061 68.868 0.274 0.000 1.170 838 T HN 0.743 nan 8.240 nan 0.000 0.509 839 A N 1.203 124.056 122.820 0.054 0.000 2.488 839 A HA 0.759 5.085 4.320 0.010 0.000 0.298 839 A C -1.517 176.022 177.584 -0.075 0.000 1.044 839 A CA -0.779 51.313 52.037 0.092 0.000 0.693 839 A CB 0.973 20.005 19.000 0.054 0.000 1.272 839 A HN 0.994 nan 8.150 nan 0.000 0.402 840 H N -0.017 119.112 119.070 0.098 0.000 2.768 840 H HA 0.770 5.332 4.556 0.010 0.000 0.371 840 H C -0.097 175.290 175.328 0.097 0.000 1.151 840 H CA 0.312 56.352 56.048 -0.014 0.000 1.165 840 H CB 2.145 31.813 29.762 -0.157 0.000 1.722 840 H HN 0.987 nan 8.280 nan 0.000 0.543 841 A N 2.145 125.006 122.820 0.069 0.000 2.330 841 A HA 0.386 4.712 4.320 0.010 0.000 0.313 841 A C -1.243 176.386 177.584 0.075 0.000 1.124 841 A CA -0.709 51.428 52.037 0.166 0.000 0.774 841 A CB 0.970 20.023 19.000 0.090 0.000 1.198 841 A HN 0.580 nan 8.150 nan 0.000 0.465 842 W N 2.008 123.441 121.300 0.222 0.000 2.335 842 W HA 0.434 5.100 4.660 0.010 0.000 0.307 842 W C -0.277 176.283 176.519 0.068 0.000 1.117 842 W CA -0.040 57.434 57.345 0.215 0.000 1.228 842 W CB 1.513 31.204 29.460 0.385 0.000 1.240 842 W HN 0.736 nan 8.180 nan 0.000 0.468 843 Q N 1.590 121.529 119.800 0.230 0.000 2.423 843 Q HA 0.354 4.700 4.340 0.010 0.000 0.278 843 Q C -0.888 175.242 176.000 0.217 0.000 1.097 843 Q CA -0.728 55.167 55.803 0.153 0.000 0.809 843 Q CB 3.564 32.352 28.738 0.084 0.000 1.391 843 Q HN 0.362 nan 8.270 nan 0.000 0.428 844 H N 2.061 121.177 119.070 0.076 0.000 3.017 844 H HA 0.110 4.672 4.556 0.010 0.000 0.340 844 H C -0.943 174.425 175.328 0.067 0.000 1.014 844 H CA -0.125 55.977 56.048 0.090 0.000 1.341 844 H CB 1.181 31.015 29.762 0.119 0.000 1.739 844 H HN 0.827 nan 8.280 nan 0.000 0.506 845 Q N 3.060 122.689 119.800 -0.286 0.000 2.434 845 Q HA -0.230 4.116 4.340 0.010 0.000 0.299 845 Q C 0.822 176.805 176.000 -0.028 0.000 1.286 845 Q CA 1.118 56.822 55.803 -0.164 0.000 0.872 845 Q CB -1.351 27.295 28.738 -0.154 0.000 1.193 845 Q HN 1.150 nan 8.270 nan 0.000 0.466 846 G N -0.347 108.448 108.800 -0.010 0.000 2.136 846 G HA2 -0.338 3.628 3.960 0.010 0.000 0.242 846 G HA3 -0.338 3.628 3.960 0.010 0.000 0.242 846 G C -0.176 174.741 174.900 0.029 0.000 0.989 846 G CA 0.457 45.564 45.100 0.011 0.000 0.682 846 G HN 0.292 nan 8.290 nan 0.000 0.522 847 K N 1.002 121.431 120.400 0.048 0.000 2.323 847 K HA 0.654 4.980 4.320 0.010 0.000 0.259 847 K C 0.048 176.668 176.600 0.033 0.000 0.947 847 K CA -0.383 55.931 56.287 0.046 0.000 0.819 847 K CB 1.096 33.635 32.500 0.065 0.000 1.109 847 K HN -0.012 nan 8.250 nan 0.000 0.429 848 T N 6.017 120.579 114.554 0.013 0.000 2.761 848 T HA 0.241 4.597 4.350 0.010 0.000 0.296 848 T C 0.964 175.608 174.700 -0.093 0.000 0.934 848 T CA -0.294 61.806 62.100 -0.000 0.000 1.091 848 T CB 0.374 69.259 68.868 0.029 0.000 0.896 848 T HN 0.544 nan 8.240 nan 0.000 0.515 849 L N 2.249 123.325 121.223 -0.244 0.000 2.262 849 L HA 0.408 4.755 4.340 0.010 0.000 0.197 849 L C -0.248 176.149 176.870 -0.789 0.000 1.073 849 L CA 0.487 54.907 54.840 -0.700 0.000 0.800 849 L CB 0.119 41.402 42.059 -1.293 0.000 0.987 849 L HN 0.474 nan 8.230 nan 0.000 0.470 850 F N -0.432 119.504 119.950 -0.024 0.000 2.565 850 F HA 0.588 5.121 4.527 0.010 0.000 0.313 850 F C -0.468 175.455 175.800 0.207 0.000 1.091 850 F CA -1.098 56.831 58.000 -0.118 0.000 0.915 850 F CB 1.325 39.880 39.000 -0.741 0.000 1.208 850 F HN -0.282 nan 8.300 nan 0.000 0.453 851 I N 1.576 122.361 120.570 0.358 0.000 2.433 851 I HA 0.449 4.626 4.170 0.010 0.000 0.292 851 I C -0.476 175.903 176.117 0.436 0.000 1.001 851 I CA -0.597 60.944 61.300 0.403 0.000 1.119 851 I CB 2.139 40.286 38.000 0.246 0.000 1.289 851 I HN 0.591 nan 8.210 nan 0.000 0.438 852 S N 6.751 122.807 115.700 0.594 0.000 2.640 852 S HA 0.528 5.004 4.470 0.010 0.000 0.320 852 S C -0.588 174.257 174.600 0.408 0.000 1.097 852 S CA -0.730 57.792 58.200 0.536 0.000 1.092 852 S CB 0.450 64.095 63.200 0.742 0.000 0.988 852 S HN 0.548 nan 8.310 nan 0.000 0.470 853 R N 3.566 124.229 120.500 0.272 0.000 2.294 853 R HA 0.517 4.864 4.340 0.010 0.000 0.319 853 R C -0.507 175.871 176.300 0.131 0.000 0.984 853 R CA -0.592 55.625 56.100 0.195 0.000 0.861 853 R CB 1.442 31.829 30.300 0.146 0.000 1.104 853 R HN 0.530 nan 8.270 nan 0.000 0.451 854 K N 1.105 121.577 120.400 0.119 0.000 2.385 854 K HA 0.428 4.754 4.320 0.010 0.000 0.248 854 K C -0.752 175.833 176.600 -0.025 0.000 0.955 854 K CA -0.852 55.428 56.287 -0.013 0.000 0.816 854 K CB 2.548 35.017 32.500 -0.051 0.000 1.250 854 K HN 0.589 nan 8.250 nan 0.000 0.434 855 T N -1.070 113.397 114.554 -0.146 0.000 2.881 855 T HA 0.492 4.848 4.350 0.010 0.000 0.290 855 T C -1.114 173.470 174.700 -0.194 0.000 1.000 855 T CA -0.775 61.277 62.100 -0.079 0.000 0.978 855 T CB 0.362 69.210 68.868 -0.034 0.000 0.997 855 T HN 0.335 nan 8.240 nan 0.000 0.443 856 Y N 1.296 121.565 120.300 -0.052 0.000 2.328 856 Y HA 0.609 5.166 4.550 0.010 0.000 0.337 856 Y C 0.638 176.464 175.900 -0.123 0.000 0.966 856 Y CA -1.152 56.923 58.100 -0.040 0.000 1.136 856 Y CB 1.575 40.031 38.460 -0.006 0.000 1.170 856 Y HN 0.573 nan 8.280 nan 0.000 0.470 857 R N 4.265 124.781 120.500 0.026 0.000 2.343 857 R HA 0.672 5.018 4.340 0.010 0.000 0.320 857 R C -1.592 174.644 176.300 -0.107 0.000 0.956 857 R CA -0.545 55.524 56.100 -0.052 0.000 0.836 857 R CB 0.697 30.977 30.300 -0.034 0.000 1.151 857 R HN 0.775 nan 8.270 nan 0.000 0.450 858 I N 4.997 125.446 120.570 -0.202 0.000 2.420 858 I HA 0.196 4.373 4.170 0.010 0.000 0.282 858 I C -0.396 175.591 176.117 -0.218 0.000 1.019 858 I CA -0.794 60.307 61.300 -0.331 0.000 1.130 858 I CB 1.436 39.017 38.000 -0.699 0.000 1.262 858 I HN 0.654 nan 8.210 nan 0.000 0.454 859 D N 4.250 124.572 120.400 -0.129 0.000 2.549 859 D HA 0.256 4.903 4.640 0.010 0.000 0.270 859 D C 1.296 177.575 176.300 -0.035 0.000 1.181 859 D CA -0.739 53.218 54.000 -0.072 0.000 1.070 859 D CB 0.753 41.531 40.800 -0.037 0.000 1.154 859 D HN 0.417 nan 8.370 nan 0.000 0.602 860 G N -1.543 107.248 108.800 -0.015 0.000 2.776 860 G HA2 -0.072 3.894 3.960 0.010 0.000 0.209 860 G HA3 -0.072 3.894 3.960 0.010 0.000 0.209 860 G C 1.120 176.063 174.900 0.071 0.000 1.145 860 G CA 0.833 45.942 45.100 0.015 0.000 0.791 860 G HN 0.495 nan 8.290 nan 0.000 0.530 861 S N -1.101 114.644 115.700 0.076 0.000 2.421 861 S HA 0.369 4.845 4.470 0.010 0.000 0.224 861 S C 1.754 176.434 174.600 0.134 0.000 1.035 861 S CA 1.115 59.384 58.200 0.115 0.000 0.953 861 S CB 0.097 63.355 63.200 0.096 0.000 0.810 861 S HN 1.325 nan 8.310 nan 0.000 0.497 862 G N 0.529 109.422 108.800 0.154 0.000 2.151 862 G HA2 -0.107 3.860 3.960 0.010 0.000 0.140 862 G HA3 -0.107 3.860 3.960 0.010 0.000 0.140 862 G C -0.382 174.696 174.900 0.296 0.000 1.020 862 G CA -0.420 44.847 45.100 0.278 0.000 0.688 862 G HN 0.534 nan 8.290 nan 0.000 0.500 863 Q N -0.155 119.742 119.800 0.162 0.000 2.245 863 Q HA 0.668 5.014 4.340 0.010 0.000 0.256 863 Q C -0.101 175.940 176.000 0.070 0.000 0.942 863 Q CA -0.477 55.419 55.803 0.154 0.000 0.896 863 Q CB 2.024 30.833 28.738 0.119 0.000 1.272 863 Q HN 0.376 nan 8.270 nan 0.000 0.442 864 M N 1.970 121.653 119.600 0.138 0.000 2.072 864 M HA 0.468 4.955 4.480 0.010 0.000 0.331 864 M C -1.323 175.075 176.300 0.163 0.000 1.004 864 M CA -0.497 54.850 55.300 0.078 0.000 0.952 864 M CB 0.967 33.641 32.600 0.124 0.000 1.511 864 M HN 0.714 nan 8.290 nan 0.000 0.422 865 A N 7.321 130.198 122.820 0.094 0.000 2.316 865 A HA 0.560 4.886 4.320 0.010 0.000 0.311 865 A C -0.542 177.074 177.584 0.054 0.000 1.339 865 A CA -0.567 51.524 52.037 0.091 0.000 0.960 865 A CB -0.287 18.748 19.000 0.058 0.000 1.152 865 A HN 0.920 nan 8.150 nan 0.000 0.547 866 I N 2.197 122.798 120.570 0.052 0.000 2.365 866 I HA 0.297 4.473 4.170 0.010 0.000 0.291 866 I C 0.067 176.091 176.117 -0.156 0.000 1.004 866 I CA 0.048 61.279 61.300 -0.115 0.000 1.311 866 I CB 1.714 39.671 38.000 -0.070 0.000 1.401 866 I HN 0.449 nan 8.210 nan 0.000 0.491 867 T N 5.774 120.187 114.554 -0.234 0.000 2.833 867 T HA 0.455 4.811 4.350 0.010 0.000 0.297 867 T C -0.323 174.211 174.700 -0.278 0.000 1.015 867 T CA -0.453 61.526 62.100 -0.201 0.000 0.963 867 T CB 1.373 70.216 68.868 -0.043 0.000 0.955 867 T HN 0.200 nan 8.240 nan 0.000 0.449 868 V N 3.262 122.894 119.914 -0.470 0.000 2.459 868 V HA 0.565 4.691 4.120 0.010 0.000 0.295 868 V C -0.565 175.394 176.094 -0.225 0.000 1.029 868 V CA -0.860 61.176 62.300 -0.440 0.000 0.874 868 V CB 1.915 33.208 31.823 -0.884 0.000 0.985 868 V HN 0.835 nan 8.190 nan 0.000 0.438 869 D N 2.634 123.053 120.400 0.031 0.000 2.542 869 D HA 0.566 5.212 4.640 0.010 0.000 0.252 869 D C -0.971 175.458 176.300 0.215 0.000 1.222 869 D CA -0.101 54.009 54.000 0.183 0.000 0.895 869 D CB 2.141 43.066 40.800 0.209 0.000 1.207 869 D HN 0.326 nan 8.370 nan 0.000 0.558 870 V N 2.522 122.599 119.914 0.272 0.000 2.513 870 V HA 0.372 4.498 4.120 0.010 0.000 0.299 870 V C -0.041 176.190 176.094 0.227 0.000 1.035 870 V CA -0.708 61.756 62.300 0.274 0.000 0.889 870 V CB 1.920 33.939 31.823 0.326 0.000 0.988 870 V HN 0.430 nan 8.190 nan 0.000 0.440 871 E N 2.832 123.147 120.200 0.192 0.000 2.151 871 E HA 0.580 4.936 4.350 0.010 0.000 0.275 871 E C -1.375 175.322 176.600 0.162 0.000 0.936 871 E CA -0.475 56.021 56.400 0.158 0.000 0.777 871 E CB 2.292 32.073 29.700 0.135 0.000 1.108 871 E HN 0.441 nan 8.360 nan 0.000 0.401 872 V N 2.431 122.449 119.914 0.172 0.000 2.448 872 V HA 0.402 4.528 4.120 0.010 0.000 0.295 872 V C 0.185 176.365 176.094 0.142 0.000 1.025 872 V CA -0.945 61.479 62.300 0.207 0.000 0.859 872 V CB 1.502 33.484 31.823 0.264 0.000 0.988 872 V HN 0.824 nan 8.190 nan 0.000 0.431 873 A N 3.394 126.258 122.820 0.074 0.000 2.531 873 A HA 0.311 4.637 4.320 0.010 0.000 0.236 873 A C 1.589 179.244 177.584 0.118 0.000 1.062 873 A CA 0.586 52.659 52.037 0.060 0.000 0.760 873 A CB 0.279 19.278 19.000 -0.003 0.000 0.995 873 A HN 1.324 nan 8.150 nan 0.000 0.501 874 S N 0.840 116.605 115.700 0.108 0.000 2.402 874 S HA -0.140 4.336 4.470 0.010 0.000 0.229 874 S C 0.904 175.583 174.600 0.132 0.000 1.021 874 S CA 1.296 59.580 58.200 0.140 0.000 0.974 874 S CB -0.308 62.952 63.200 0.101 0.000 0.800 874 S HN 0.813 nan 8.310 nan 0.000 0.484 875 D N 0.472 120.924 120.400 0.086 0.000 2.339 875 D HA 0.123 4.769 4.640 0.010 0.000 0.217 875 D C 0.463 176.799 176.300 0.061 0.000 1.050 875 D CA 0.095 54.130 54.000 0.058 0.000 0.856 875 D CB -0.504 40.320 40.800 0.040 0.000 0.922 875 D HN 0.315 nan 8.370 nan 0.000 0.518 876 T N 2.175 116.789 114.554 0.101 0.000 2.799 876 T HA 0.327 4.683 4.350 0.010 0.000 0.286 876 T C -2.596 172.223 174.700 0.199 0.000 0.973 876 T CA -2.010 60.185 62.100 0.159 0.000 1.035 876 T CB 1.090 70.055 68.868 0.161 0.000 0.932 876 T HN -0.114 nan 8.240 nan 0.000 0.469 877 P HA 0.017 nan 4.420 nan 0.000 0.262 877 P C -0.357 177.220 177.300 0.462 0.000 1.182 877 P CA -0.100 63.084 63.100 0.139 0.000 0.761 877 P CB 0.181 31.911 31.700 0.050 0.000 0.795 878 H N 3.871 123.280 119.070 0.564 0.000 3.094 878 H HA 0.033 4.595 4.556 0.010 0.000 0.320 878 H C -1.688 173.957 175.328 0.528 0.000 1.000 878 H CA -1.365 54.953 56.048 0.450 0.000 1.413 878 H CB -0.873 29.078 29.762 0.316 0.000 1.405 878 H HN 0.371 nan 8.280 nan 0.000 0.586 879 P HA 0.050 nan 4.420 nan 0.000 0.271 879 P C 0.390 177.588 177.300 -0.170 0.000 1.218 879 P CA -0.211 62.975 63.100 0.144 0.000 0.780 879 P CB 0.829 32.453 31.700 -0.126 0.000 0.901 880 A N 3.798 126.226 122.820 -0.654 0.000 1.933 880 A HA -0.126 4.200 4.320 0.010 0.000 0.218 880 A C 1.169 178.364 177.584 -0.648 0.000 1.175 880 A CA 1.430 53.011 52.037 -0.759 0.000 0.628 880 A CB -0.517 17.782 19.000 -1.168 0.000 0.814 880 A HN 0.765 nan 8.150 nan 0.000 0.444 881 R N -2.725 117.440 120.500 -0.557 0.000 2.752 881 R HA 0.746 5.092 4.340 0.010 0.000 0.271 881 R C -1.790 174.318 176.300 -0.320 0.000 1.026 881 R CA -0.823 54.989 56.100 -0.480 0.000 0.901 881 R CB 0.880 30.884 30.300 -0.494 0.000 1.243 881 R HN 0.014 nan 8.270 nan 0.000 0.463 882 I N 1.387 121.805 120.570 -0.252 0.000 2.542 882 I HA 0.579 4.755 4.170 0.010 0.000 0.278 882 I C -0.433 175.524 176.117 -0.266 0.000 1.069 882 I CA -0.267 60.951 61.300 -0.136 0.000 1.100 882 I CB 1.785 39.709 38.000 -0.128 0.000 1.204 882 I HN 0.977 nan 8.210 nan 0.000 0.470 883 G N 5.490 114.075 108.800 -0.358 0.000 2.650 883 G HA2 0.728 4.694 3.960 0.010 0.000 0.310 883 G HA3 0.728 4.694 3.960 0.010 0.000 0.310 883 G C -1.676 173.070 174.900 -0.256 0.000 1.270 883 G CA -0.568 44.324 45.100 -0.348 0.000 0.810 883 G HN 0.217 nan 8.290 nan 0.000 0.493 884 L N 0.989 122.107 121.223 -0.176 0.000 2.333 884 L HA 0.644 4.991 4.340 0.010 0.000 0.263 884 L C -0.735 176.036 176.870 -0.165 0.000 1.014 884 L CA -1.121 53.642 54.840 -0.128 0.000 0.820 884 L CB 2.455 44.520 42.059 0.011 0.000 1.352 884 L HN 0.818 nan 8.230 nan 0.000 0.421 885 N N 0.605 119.235 118.700 -0.117 0.000 2.591 885 N HA 0.649 5.395 4.740 0.010 0.000 0.263 885 N C -1.342 174.177 175.510 0.015 0.000 1.308 885 N CA -0.519 52.496 53.050 -0.058 0.000 0.837 885 N CB 2.453 40.922 38.487 -0.030 0.000 1.548 885 N HN 0.818 nan 8.380 nan 0.000 0.493 886 C N -1.120 118.205 119.300 0.041 0.000 3.311 886 C HA 0.568 5.034 4.460 0.010 0.000 0.325 886 C C -1.038 173.789 174.990 -0.273 0.000 1.352 886 C CA -0.803 58.194 59.018 -0.036 0.000 1.308 886 C CB 1.135 28.876 27.740 0.003 0.000 1.619 886 C HN 0.837 nan 8.230 nan 0.000 0.469 887 Q N 1.426 120.858 119.800 -0.614 0.000 2.431 887 Q HA 0.608 4.954 4.340 0.010 0.000 0.249 887 Q C -0.926 174.784 176.000 -0.482 0.000 1.025 887 Q CA -0.367 54.844 55.803 -0.987 0.000 0.835 887 Q CB 0.701 28.450 28.738 -1.648 0.000 1.207 887 Q HN 0.756 nan 8.270 nan 0.000 0.490 888 L N 2.160 123.203 121.223 -0.300 0.000 2.461 888 L HA 0.174 4.520 4.340 0.010 0.000 0.272 888 L C 1.258 178.058 176.870 -0.117 0.000 1.197 888 L CA -0.096 54.678 54.840 -0.109 0.000 0.836 888 L CB 0.623 42.715 42.059 0.055 0.000 1.105 888 L HN 0.752 nan 8.230 nan 0.000 0.477 889 A N 1.921 124.698 122.820 -0.072 0.000 2.016 889 A HA -0.085 4.241 4.320 0.010 0.000 0.217 889 A C 1.111 178.681 177.584 -0.023 0.000 1.162 889 A CA 0.422 52.415 52.037 -0.074 0.000 0.662 889 A CB -0.253 18.694 19.000 -0.088 0.000 0.812 889 A HN 0.788 nan 8.150 nan 0.000 0.450 890 Q N -0.019 119.807 119.800 0.043 0.000 2.392 890 Q HA 0.373 4.719 4.340 0.010 0.000 0.262 890 Q C -1.057 174.980 176.000 0.062 0.000 1.003 890 Q CA 0.440 56.267 55.803 0.040 0.000 0.888 890 Q CB 0.803 29.587 28.738 0.075 0.000 1.260 890 Q HN 0.118 nan 8.270 nan 0.000 0.435 891 V N 4.044 123.957 119.914 -0.003 0.000 2.327 891 V HA 0.625 4.752 4.120 0.010 0.000 0.272 891 V C -0.255 175.802 176.094 -0.061 0.000 1.019 891 V CA -0.329 61.992 62.300 0.034 0.000 0.814 891 V CB 0.534 32.366 31.823 0.015 0.000 1.040 891 V HN 0.930 nan 8.190 nan 0.000 0.440 892 A N 3.035 125.724 122.820 -0.218 0.000 2.272 892 A HA 0.612 4.938 4.320 0.010 0.000 0.275 892 A C 0.875 178.439 177.584 -0.033 0.000 1.096 892 A CA -0.234 51.630 52.037 -0.289 0.000 0.822 892 A CB 0.640 19.196 19.000 -0.739 0.000 1.088 892 A HN 0.774 nan 8.150 nan 0.000 0.495 893 E N -0.486 119.702 120.200 -0.020 0.000 2.340 893 E HA 0.040 4.396 4.350 0.010 0.000 0.194 893 E C -0.073 176.584 176.600 0.095 0.000 0.996 893 E CA 0.333 56.758 56.400 0.041 0.000 0.869 893 E CB 0.276 29.984 29.700 0.014 0.000 0.835 893 E HN 0.405 nan 8.360 nan 0.000 0.493 894 R N 0.529 121.095 120.500 0.110 0.000 2.807 894 R HA 0.505 4.852 4.340 0.010 0.000 0.276 894 R C -0.851 175.621 176.300 0.288 0.000 0.979 894 R CA -0.859 55.340 56.100 0.164 0.000 0.928 894 R CB 1.983 32.347 30.300 0.107 0.000 1.191 894 R HN -0.178 nan 8.270 nan 0.000 0.471 895 V N 2.294 122.402 119.914 0.324 0.000 2.444 895 V HA 0.372 4.498 4.120 0.010 0.000 0.294 895 V C -0.216 176.172 176.094 0.490 0.000 1.022 895 V CA -0.892 61.659 62.300 0.419 0.000 0.850 895 V CB 1.812 33.848 31.823 0.355 0.000 0.992 895 V HN 0.622 nan 8.190 nan 0.000 0.426 896 N N 4.851 123.810 118.700 0.431 0.000 2.399 896 N HA 0.493 5.239 4.740 0.010 0.000 0.280 896 N C -1.430 174.324 175.510 0.408 0.000 1.008 896 N CA -0.407 52.837 53.050 0.323 0.000 0.894 896 N CB 2.363 40.938 38.487 0.148 0.000 1.273 896 N HN 0.807 nan 8.380 nan 0.000 0.486 897 W N 3.548 124.898 121.300 0.084 0.000 3.167 897 W HA 0.556 5.222 4.660 0.010 0.000 0.324 897 W C -2.017 174.467 176.519 -0.058 0.000 1.230 897 W CA -1.117 56.252 57.345 0.041 0.000 1.184 897 W CB 0.643 30.181 29.460 0.130 0.000 1.414 897 W HN 0.200 nan 8.180 nan 0.000 0.551 898 L N 4.595 125.781 121.223 -0.062 0.000 2.264 898 L HA 0.887 5.233 4.340 0.010 0.000 0.287 898 L C 0.093 176.745 176.870 -0.364 0.000 1.039 898 L CA 0.435 55.044 54.840 -0.385 0.000 0.829 898 L CB 0.338 42.252 42.059 -0.241 0.000 1.211 898 L HN 0.952 nan 8.230 nan 0.000 0.427 899 G N 3.728 112.168 108.800 -0.600 0.000 2.325 899 G HA2 0.203 4.169 3.960 0.010 0.000 0.295 899 G HA3 0.203 4.169 3.960 0.010 0.000 0.295 899 G C -1.578 173.341 174.900 0.032 0.000 1.274 899 G CA -1.111 43.855 45.100 -0.224 0.000 0.857 899 G HN 0.404 nan 8.290 nan 0.000 0.499 900 L N 1.048 122.417 121.223 0.243 0.000 2.455 900 L HA 0.535 4.881 4.340 0.010 0.000 0.272 900 L C 1.127 178.105 176.870 0.180 0.000 1.174 900 L CA 0.923 55.886 54.840 0.204 0.000 0.869 900 L CB 0.291 42.414 42.059 0.107 0.000 1.130 900 L HN 1.093 nan 8.230 nan 0.000 0.474 901 G N 3.179 111.898 108.800 -0.135 0.000 2.490 901 G HA2 0.319 4.285 3.960 0.010 0.000 0.308 901 G HA3 0.319 4.285 3.960 0.010 0.000 0.308 901 G C -2.704 171.383 174.900 -1.355 0.000 1.286 901 G CA -0.278 44.325 45.100 -0.829 0.000 0.825 901 G HN 0.311 nan 8.290 nan 0.000 0.479 902 P HA 0.043 nan 4.420 nan 0.000 0.221 902 P C 0.570 177.622 177.300 -0.414 0.000 1.155 902 P CA 0.736 63.111 63.100 -1.209 0.000 0.812 902 P CB 0.384 31.538 31.700 -0.909 0.000 0.801 903 Q N 0.465 120.040 119.800 -0.375 0.000 2.396 903 Q HA 0.104 4.450 4.340 0.010 0.000 0.221 903 Q C 0.521 176.386 176.000 -0.224 0.000 1.025 903 Q CA -0.486 55.179 55.803 -0.230 0.000 0.946 903 Q CB 0.440 29.069 28.738 -0.182 0.000 1.224 903 Q HN 0.165 nan 8.270 nan 0.000 0.539 904 E N 1.330 121.410 120.200 -0.201 0.000 2.529 904 E HA -0.121 4.235 4.350 0.010 0.000 0.259 904 E C -1.149 175.358 176.600 -0.156 0.000 0.966 904 E CA 0.282 56.555 56.400 -0.212 0.000 0.937 904 E CB 0.234 29.872 29.700 -0.103 0.000 0.923 904 E HN 0.588 nan 8.360 nan 0.000 0.468 905 N N 2.755 121.294 118.700 -0.268 0.000 2.331 905 N HA 0.362 5.108 4.740 0.010 0.000 0.280 905 N C -1.877 173.415 175.510 -0.363 0.000 1.155 905 N CA -0.673 52.276 53.050 -0.168 0.000 0.822 905 N CB 0.762 39.168 38.487 -0.134 0.000 1.619 905 N HN 0.279 nan 8.380 nan 0.000 0.476 906 Y N -0.572 119.637 120.300 -0.152 0.000 2.605 906 Y HA 0.487 5.043 4.550 0.010 0.000 0.343 906 Y C -1.720 174.102 175.900 -0.131 0.000 1.036 906 Y CA -1.967 56.035 58.100 -0.164 0.000 1.065 906 Y CB 2.151 40.515 38.460 -0.159 0.000 1.288 906 Y HN 0.437 nan 8.280 nan 0.000 0.481 907 P HA -0.204 nan 4.420 nan 0.000 0.216 907 P C 0.633 177.742 177.300 -0.318 0.000 1.157 907 P CA 2.307 65.429 63.100 0.036 0.000 0.880 907 P CB 0.196 32.029 31.700 0.223 0.000 0.791 908 D N -2.052 117.889 120.400 -0.766 0.000 2.349 908 D HA -0.066 4.581 4.640 0.010 0.000 0.224 908 D C 0.840 176.957 176.300 -0.305 0.000 1.029 908 D CA 0.402 53.756 54.000 -1.077 0.000 0.879 908 D CB -0.375 39.708 40.800 -1.196 0.000 0.906 908 D HN 0.149 nan 8.370 nan 0.000 0.528 909 R N 0.847 121.276 120.500 -0.118 0.000 2.655 909 R HA 0.218 4.564 4.340 0.010 0.000 0.261 909 R C -0.456 175.873 176.300 0.048 0.000 1.624 909 R CA -0.186 55.923 56.100 0.016 0.000 1.655 909 R CB 0.087 30.402 30.300 0.025 0.000 1.356 909 R HN 0.124 nan 8.270 nan 0.000 0.684 910 L N -1.686 119.574 121.223 0.062 0.000 3.259 910 L HA 0.345 4.691 4.340 0.010 0.000 0.292 910 L C 1.309 178.236 176.870 0.094 0.000 1.219 910 L CA 0.079 54.955 54.840 0.061 0.000 1.035 910 L CB 0.318 42.405 42.059 0.048 0.000 1.424 910 L HN 0.073 nan 8.230 nan 0.000 0.603 911 T N -2.698 111.939 114.554 0.139 0.000 2.867 911 T HA 0.022 4.378 4.350 0.010 0.000 0.268 911 T C 1.804 176.522 174.700 0.030 0.000 1.057 911 T CA 1.263 63.465 62.100 0.171 0.000 1.136 911 T CB -0.355 68.688 68.868 0.292 0.000 0.874 911 T HN 0.386 nan 8.240 nan 0.000 0.466 912 A N 1.766 124.625 122.820 0.066 0.000 2.014 912 A HA 0.626 4.952 4.320 0.010 0.000 0.218 912 A C 1.671 179.337 177.584 0.136 0.000 1.163 912 A CA 0.546 52.639 52.037 0.092 0.000 0.652 912 A CB -1.008 18.174 19.000 0.303 0.000 0.808 912 A HN 0.840 nan 8.150 nan 0.000 0.449 913 A N -0.815 122.025 122.820 0.033 0.000 2.477 913 A HA 0.409 4.735 4.320 0.010 0.000 0.246 913 A C 0.075 177.676 177.584 0.029 0.000 1.078 913 A CA 0.013 52.031 52.037 -0.031 0.000 0.770 913 A CB -0.325 18.655 19.000 -0.033 0.000 1.011 913 A HN 0.495 nan 8.150 nan 0.000 0.494 914 C N 1.418 120.737 119.300 0.033 0.000 2.456 914 C HA 0.517 4.983 4.460 0.010 0.000 0.325 914 C C 0.020 175.137 174.990 0.211 0.000 1.217 914 C CA -0.502 58.594 59.018 0.131 0.000 1.687 914 C CB 0.595 28.417 27.740 0.136 0.000 2.270 914 C HN 0.796 nan 8.230 nan 0.000 0.499 915 F N 3.511 123.308 119.950 -0.256 0.000 2.444 915 F HA 0.472 5.005 4.527 0.010 0.000 0.360 915 F C 0.270 175.710 175.800 -0.600 0.000 1.106 915 F CA 1.170 58.851 58.000 -0.531 0.000 1.170 915 F CB -0.028 38.128 39.000 -1.407 0.000 1.113 915 F HN 0.642 nan 8.300 nan 0.000 0.521 916 D N 3.176 123.001 120.400 -0.959 0.000 2.725 916 D HA 0.180 4.827 4.640 0.010 0.000 0.292 916 D C -1.603 173.780 176.300 -1.528 0.000 1.288 916 D CA -0.792 52.473 54.000 -1.224 0.000 0.784 916 D CB 1.235 41.186 40.800 -1.415 0.000 1.308 916 D HN 0.417 nan 8.370 nan 0.000 0.429 917 R N 1.193 120.998 120.500 -1.159 0.000 2.291 917 R HA 0.403 4.749 4.340 0.010 0.000 0.333 917 R C -1.197 174.462 176.300 -1.067 0.000 1.082 917 R CA 0.015 55.572 56.100 -0.906 0.000 0.948 917 R CB -0.229 29.754 30.300 -0.529 0.000 1.009 917 R HN 0.287 nan 8.270 nan 0.000 0.460 918 W N 2.945 123.721 121.300 -0.874 0.000 2.570 918 W HA 0.387 5.053 4.660 0.010 0.000 0.337 918 W C -0.196 175.892 176.519 -0.718 0.000 1.067 918 W CA -0.713 56.047 57.345 -0.975 0.000 1.229 918 W CB 1.518 29.952 29.460 -1.710 0.000 1.355 918 W HN 0.374 nan 8.180 nan 0.000 0.555 919 D N 3.227 123.556 120.400 -0.118 0.000 2.479 919 D HA 0.389 5.035 4.640 0.010 0.000 0.246 919 D C -1.522 174.849 176.300 0.119 0.000 1.336 919 D CA -0.176 53.840 54.000 0.028 0.000 0.967 919 D CB 1.028 41.823 40.800 -0.008 0.000 1.275 919 D HN 0.334 nan 8.370 nan 0.000 0.577 920 L N 3.796 125.166 121.223 0.246 0.000 2.354 920 L HA 0.544 4.890 4.340 0.010 0.000 0.264 920 L C -2.231 174.751 176.870 0.187 0.000 1.008 920 L CA -2.004 52.965 54.840 0.214 0.000 0.819 920 L CB 2.735 44.961 42.059 0.278 0.000 1.339 920 L HN 0.182 nan 8.230 nan 0.000 0.420 921 P HA -0.001 nan 4.420 nan 0.000 0.272 921 P C 0.577 177.948 177.300 0.119 0.000 1.223 921 P CA -0.431 62.735 63.100 0.110 0.000 0.784 921 P CB 1.150 32.894 31.700 0.072 0.000 0.923 922 L N 3.370 124.667 121.223 0.124 0.000 2.013 922 L HA -0.259 4.087 4.340 0.010 0.000 0.212 922 L C 2.391 179.303 176.870 0.069 0.000 1.073 922 L CA 2.794 57.701 54.840 0.111 0.000 0.753 922 L CB -1.718 40.415 42.059 0.125 0.000 0.890 922 L HN 0.465 nan 8.230 nan 0.000 0.432 923 S N -1.619 114.120 115.700 0.065 0.000 2.400 923 S HA -0.187 4.289 4.470 0.010 0.000 0.232 923 S C 1.629 176.290 174.600 0.101 0.000 1.025 923 S CA 1.171 59.421 58.200 0.083 0.000 0.993 923 S CB -0.800 62.441 63.200 0.069 0.000 0.808 923 S HN 0.518 nan 8.310 nan 0.000 0.478 924 D N 1.275 121.712 120.400 0.062 0.000 2.310 924 D HA 0.059 4.705 4.640 0.010 0.000 0.212 924 D C 1.235 177.530 176.300 -0.008 0.000 0.965 924 D CA 0.686 54.700 54.000 0.024 0.000 0.879 924 D CB -0.185 40.634 40.800 0.031 0.000 0.921 924 D HN 0.364 nan 8.370 nan 0.000 0.510 925 M N -0.322 119.283 119.600 0.008 0.000 2.568 925 M HA 0.047 4.533 4.480 0.010 0.000 0.226 925 M C -0.133 176.162 176.300 -0.008 0.000 1.148 925 M CA -0.007 55.252 55.300 -0.068 0.000 1.007 925 M CB -0.953 31.594 32.600 -0.087 0.000 1.651 925 M HN -0.043 nan 8.290 nan 0.000 0.488 926 Y N -0.109 120.139 120.300 -0.087 0.000 2.361 926 Y HA 0.450 5.007 4.550 0.010 0.000 0.337 926 Y C -0.729 175.113 175.900 -0.097 0.000 0.965 926 Y CA -0.930 57.139 58.100 -0.052 0.000 1.091 926 Y CB 1.247 39.734 38.460 0.045 0.000 1.182 926 Y HN -0.101 nan 8.280 nan 0.000 0.450 927 T N 9.180 123.293 114.554 -0.735 0.000 2.738 927 T HA 0.264 4.620 4.350 0.010 0.000 0.298 927 T C -2.668 171.272 174.700 -1.267 0.000 0.962 927 T CA -1.465 60.109 62.100 -0.876 0.000 0.972 927 T CB 0.825 69.237 68.868 -0.761 0.000 0.928 927 T HN 0.451 nan 8.240 nan 0.000 0.474 928 P HA 0.140 nan 4.420 nan 0.000 0.230 928 P C -0.763 176.324 177.300 -0.355 0.000 1.791 928 P CA -0.537 62.129 63.100 -0.724 0.000 1.020 928 P CB -0.620 30.829 31.700 -0.419 0.000 1.977 929 Y N 0.186 120.400 120.300 -0.143 0.000 2.632 929 Y HA -0.082 4.474 4.550 0.010 0.000 0.329 929 Y C 2.215 178.173 175.900 0.097 0.000 1.174 929 Y CA -0.003 58.128 58.100 0.052 0.000 1.469 929 Y CB 0.142 38.588 38.460 -0.024 0.000 1.242 929 Y HN -0.033 nan 8.280 nan 0.000 0.540 930 V N 3.423 123.567 119.914 0.382 0.000 2.324 930 V HA -0.313 3.813 4.120 0.010 0.000 0.250 930 V C 0.730 177.016 176.094 0.320 0.000 1.060 930 V CA 1.453 63.955 62.300 0.337 0.000 1.042 930 V CB -0.684 31.381 31.823 0.404 0.000 0.650 930 V HN 0.605 nan 8.190 nan 0.000 0.450 931 F N 3.079 123.086 119.950 0.096 0.000 2.350 931 F HA 0.476 5.010 4.527 0.010 0.000 0.365 931 F C -2.387 173.419 175.800 0.010 0.000 1.122 931 F CA -3.418 54.574 58.000 -0.012 0.000 1.139 931 F CB 0.650 39.539 39.000 -0.185 0.000 1.220 931 F HN 0.011 nan 8.300 nan 0.000 0.499 932 P HA 0.200 nan 4.420 nan 0.000 0.268 932 P C -0.973 176.130 177.300 -0.329 0.000 1.204 932 P CA 0.156 63.101 63.100 -0.259 0.000 0.768 932 P CB 1.144 32.675 31.700 -0.282 0.000 0.842 933 S N 0.548 116.188 115.700 -0.100 0.000 2.727 933 S HA 0.451 4.928 4.470 0.010 0.000 0.278 933 S C -0.782 173.822 174.600 0.006 0.000 1.186 933 S CA -0.946 57.217 58.200 -0.063 0.000 0.836 933 S CB 0.504 63.684 63.200 -0.034 0.000 1.186 933 S HN 0.287 nan 8.310 nan 0.000 0.499 934 E N 1.322 121.530 120.200 0.013 0.000 2.585 934 E HA 0.294 4.650 4.350 0.010 0.000 0.252 934 E C -0.281 176.383 176.600 0.107 0.000 0.981 934 E CA 0.804 57.239 56.400 0.059 0.000 0.943 934 E CB -0.582 29.174 29.700 0.092 0.000 0.923 934 E HN 0.729 nan 8.360 nan 0.000 0.486 935 N N 2.128 120.917 118.700 0.148 0.000 2.591 935 N HA 0.549 5.295 4.740 0.010 0.000 0.263 935 N C 0.104 175.654 175.510 0.068 0.000 1.308 935 N CA -0.537 52.631 53.050 0.196 0.000 0.837 935 N CB 1.487 40.083 38.487 0.182 0.000 1.548 935 N HN 0.622 nan 8.380 nan 0.000 0.493 936 G N -0.748 108.056 108.800 0.007 0.000 2.143 936 G HA2 -0.247 3.719 3.960 0.010 0.000 0.249 936 G HA3 -0.247 3.719 3.960 0.010 0.000 0.249 936 G C -0.355 174.270 174.900 -0.459 0.000 0.981 936 G CA 0.191 45.170 45.100 -0.201 0.000 0.665 936 G HN 0.682 nan 8.290 nan 0.000 0.528 937 L N 0.168 121.023 121.223 -0.613 0.000 2.485 937 L HA 0.667 5.013 4.340 0.010 0.000 0.275 937 L C 0.671 176.951 176.870 -0.983 0.000 1.207 937 L CA 0.293 54.550 54.840 -0.973 0.000 0.855 937 L CB 0.530 41.715 42.059 -1.456 0.000 1.114 937 L HN 0.235 nan 8.230 nan 0.000 0.485 938 R N 2.843 122.666 120.500 -1.127 0.000 2.480 938 R HA 0.487 4.834 4.340 0.010 0.000 0.306 938 R C -0.940 174.985 176.300 -0.626 0.000 0.958 938 R CA -0.268 55.287 56.100 -0.908 0.000 0.861 938 R CB 1.341 30.901 30.300 -1.233 0.000 1.171 938 R HN 0.676 nan 8.270 nan 0.000 0.445 939 C N 0.536 119.623 119.300 -0.355 0.000 2.328 939 C HA 0.657 5.123 4.460 0.010 0.000 0.378 939 C C 1.396 176.355 174.990 -0.052 0.000 1.249 939 C CA 0.044 58.944 59.018 -0.197 0.000 2.204 939 C CB 1.232 28.887 27.740 -0.140 0.000 2.218 939 C HN 1.030 nan 8.230 nan 0.000 0.564 940 G N 1.903 110.692 108.800 -0.017 0.000 2.379 940 G HA2 -0.201 3.765 3.960 0.010 0.000 0.297 940 G HA3 -0.201 3.765 3.960 0.010 0.000 0.297 940 G C 0.026 174.987 174.900 0.101 0.000 1.004 940 G CA 0.663 45.807 45.100 0.073 0.000 0.921 940 G HN 0.809 nan 8.290 nan 0.000 0.511 941 T N 0.026 114.505 114.554 -0.125 0.000 2.817 941 T HA 0.463 4.819 4.350 0.010 0.000 0.293 941 T C 1.429 175.834 174.700 -0.491 0.000 0.964 941 T CA -0.419 61.547 62.100 -0.223 0.000 1.085 941 T CB 1.190 69.923 68.868 -0.225 0.000 0.921 941 T HN 0.251 nan 8.240 nan 0.000 0.502 942 R N 1.602 122.021 120.500 -0.136 0.000 2.279 942 R HA 0.279 4.625 4.340 0.010 0.000 0.195 942 R C 0.525 176.862 176.300 0.062 0.000 0.905 942 R CA 0.200 56.292 56.100 -0.012 0.000 1.044 942 R CB 0.467 30.889 30.300 0.204 0.000 1.056 942 R HN 0.682 nan 8.270 nan 0.000 0.535 943 E N 0.712 120.950 120.200 0.064 0.000 2.321 943 E HA 0.278 4.634 4.350 0.010 0.000 0.281 943 E C -1.834 174.901 176.600 0.224 0.000 0.910 943 E CA -0.638 55.876 56.400 0.190 0.000 0.770 943 E CB 1.572 31.351 29.700 0.132 0.000 1.225 943 E HN -0.090 nan 8.360 nan 0.000 0.417 944 L N 4.371 125.790 121.223 0.328 0.000 2.381 944 L HA 0.566 4.912 4.340 0.010 0.000 0.274 944 L C -1.771 175.297 176.870 0.329 0.000 0.988 944 L CA -0.450 54.538 54.840 0.248 0.000 0.824 944 L CB 1.613 43.667 42.059 -0.008 0.000 1.263 944 L HN 0.430 nan 8.230 nan 0.000 0.410 945 N N 4.862 123.729 118.700 0.278 0.000 2.407 945 N HA 0.318 5.065 4.740 0.010 0.000 0.277 945 N C -1.865 173.864 175.510 0.365 0.000 0.995 945 N CA -0.217 52.984 53.050 0.251 0.000 0.903 945 N CB 1.861 40.438 38.487 0.150 0.000 1.218 945 N HN 0.595 nan 8.380 nan 0.000 0.487 946 Y N 1.662 122.109 120.300 0.245 0.000 2.373 946 Y HA 0.408 4.964 4.550 0.010 0.000 0.327 946 Y C 0.786 176.801 175.900 0.191 0.000 1.036 946 Y CA 0.025 58.269 58.100 0.240 0.000 1.265 946 Y CB 0.394 39.048 38.460 0.323 0.000 1.108 946 Y HN 0.862 nan 8.280 nan 0.000 0.471 947 G N 6.423 115.083 108.800 -0.233 0.000 2.596 947 G HA2 -0.323 3.643 3.960 0.010 0.000 0.304 947 G HA3 -0.323 3.643 3.960 0.010 0.000 0.304 947 G C -1.540 173.253 174.900 -0.180 0.000 1.189 947 G CA 0.174 45.121 45.100 -0.255 0.000 0.986 947 G HN 0.532 nan 8.290 nan 0.000 0.548 948 P HA 0.106 nan 4.420 nan 0.000 0.236 948 P C 0.310 177.386 177.300 -0.373 0.000 1.177 948 P CA 0.967 63.861 63.100 -0.344 0.000 0.773 948 P CB -0.061 31.370 31.700 -0.447 0.000 0.878 949 H N 0.256 119.248 119.070 -0.131 0.000 2.481 949 H HA 0.442 5.005 4.556 0.010 0.000 0.339 949 H C -0.046 174.998 175.328 -0.474 0.000 1.131 949 H CA -0.073 55.759 56.048 -0.361 0.000 1.301 949 H CB 1.564 30.916 29.762 -0.684 0.000 1.476 949 H HN 0.085 nan 8.280 nan 0.000 0.529 950 Q N 2.446 121.963 119.800 -0.473 0.000 2.323 950 Q HA 0.227 4.573 4.340 0.010 0.000 0.271 950 Q C -1.497 174.176 176.000 -0.546 0.000 1.048 950 Q CA -0.731 54.875 55.803 -0.329 0.000 0.792 950 Q CB 1.996 30.690 28.738 -0.073 0.000 1.280 950 Q HN 0.577 nan 8.270 nan 0.000 0.441 951 W N 3.997 125.227 121.300 -0.118 0.000 2.529 951 W HA 0.559 5.225 4.660 0.010 0.000 0.321 951 W C -0.154 176.439 176.519 0.124 0.000 1.047 951 W CA -0.714 56.541 57.345 -0.150 0.000 1.216 951 W CB 1.733 30.896 29.460 -0.496 0.000 1.357 951 W HN 0.486 nan 8.180 nan 0.000 0.489 952 R N 0.900 121.615 120.500 0.359 0.000 2.670 952 R HA 0.775 5.121 4.340 0.010 0.000 0.289 952 R C 0.226 176.774 176.300 0.413 0.000 0.965 952 R CA -0.423 55.902 56.100 0.374 0.000 0.899 952 R CB 2.329 32.766 30.300 0.229 0.000 1.173 952 R HN 0.755 nan 8.270 nan 0.000 0.456 953 G N 0.831 109.875 108.800 0.406 0.000 2.564 953 G HA2 -0.031 3.935 3.960 0.010 0.000 0.139 953 G HA3 -0.031 3.935 3.960 0.010 0.000 0.139 953 G C -1.757 173.284 174.900 0.235 0.000 1.147 953 G CA -0.425 44.886 45.100 0.352 0.000 1.031 953 G HN 0.483 nan 8.290 nan 0.000 0.482 954 D N 0.293 120.833 120.400 0.234 0.000 2.405 954 D HA 0.589 5.235 4.640 0.010 0.000 0.264 954 D C -0.643 175.684 176.300 0.045 0.000 1.240 954 D CA -0.503 53.537 54.000 0.066 0.000 0.893 954 D CB 0.100 40.952 40.800 0.086 0.000 1.198 954 D HN 0.502 nan 8.370 nan 0.000 0.514 955 F N -0.237 119.706 119.950 -0.011 0.000 2.664 955 F HA 0.744 5.277 4.527 0.010 0.000 0.329 955 F C -0.890 174.863 175.800 -0.078 0.000 1.090 955 F CA -0.996 56.938 58.000 -0.109 0.000 0.978 955 F CB 0.919 39.856 39.000 -0.104 0.000 1.378 955 F HN -0.183 nan 8.300 nan 0.000 0.495 956 Q N 1.801 121.678 119.800 0.128 0.000 2.342 956 Q HA 0.594 4.940 4.340 0.010 0.000 0.267 956 Q C -1.397 174.670 176.000 0.111 0.000 1.038 956 Q CA -0.517 55.283 55.803 -0.005 0.000 0.832 956 Q CB 2.707 31.340 28.738 -0.175 0.000 1.323 956 Q HN 0.866 nan 8.270 nan 0.000 0.448 957 F N -0.659 119.162 119.950 -0.215 0.000 2.631 957 F HA 0.718 5.251 4.527 0.010 0.000 0.308 957 F C -1.543 174.024 175.800 -0.389 0.000 1.097 957 F CA -1.044 56.792 58.000 -0.273 0.000 0.952 957 F CB 1.542 40.425 39.000 -0.196 0.000 1.307 957 F HN 0.561 nan 8.300 nan 0.000 0.450 958 N N 2.622 121.144 118.700 -0.297 0.000 2.265 958 N HA 0.745 5.491 4.740 0.010 0.000 0.300 958 N C -2.010 173.424 175.510 -0.126 0.000 1.148 958 N CA -0.823 52.031 53.050 -0.327 0.000 0.772 958 N CB 2.708 41.021 38.487 -0.291 0.000 1.434 958 N HN 1.085 nan 8.380 nan 0.000 0.481 959 I N 0.649 121.134 120.570 -0.142 0.000 2.611 959 I HA 0.572 4.748 4.170 0.010 0.000 0.287 959 I C -1.414 174.604 176.117 -0.166 0.000 1.184 959 I CA 0.050 61.237 61.300 -0.188 0.000 1.054 959 I CB 1.017 38.836 38.000 -0.302 0.000 1.257 959 I HN 1.008 nan 8.210 nan 0.000 0.435 960 S N 6.274 121.895 115.700 -0.132 0.000 2.672 960 S HA 0.557 5.033 4.470 0.010 0.000 0.271 960 S C 0.104 174.589 174.600 -0.190 0.000 1.171 960 S CA -0.968 57.149 58.200 -0.139 0.000 0.817 960 S CB 1.878 65.054 63.200 -0.039 0.000 1.150 960 S HN 0.595 nan 8.310 nan 0.000 0.478 961 R N -0.409 119.817 120.500 -0.456 0.000 2.310 961 R HA 0.218 4.564 4.340 0.010 0.000 0.202 961 R C -0.808 175.200 176.300 -0.486 0.000 0.933 961 R CA 0.442 56.239 56.100 -0.505 0.000 1.054 961 R CB -0.857 29.031 30.300 -0.687 0.000 0.985 961 R HN 0.640 nan 8.270 nan 0.000 0.489 962 Y N 0.142 120.420 120.300 -0.037 0.000 2.364 962 Y HA 0.249 4.806 4.550 0.010 0.000 0.340 962 Y C 0.660 176.414 175.900 -0.244 0.000 0.975 962 Y CA -1.558 56.458 58.100 -0.140 0.000 1.089 962 Y CB 1.302 39.611 38.460 -0.252 0.000 1.192 962 Y HN -0.125 nan 8.280 nan 0.000 0.454 963 S N 2.036 117.493 115.700 -0.406 0.000 2.580 963 S HA 0.074 4.551 4.470 0.010 0.000 0.274 963 S C 0.916 175.210 174.600 -0.510 0.000 1.329 963 S CA -0.757 56.845 58.200 -0.996 0.000 1.036 963 S CB 1.205 63.528 63.200 -1.462 0.000 0.919 963 S HN 0.716 nan 8.310 nan 0.000 0.515 964 Q N 1.097 120.606 119.800 -0.484 0.000 2.197 964 Q HA -0.237 4.109 4.340 0.010 0.000 0.207 964 Q C 2.087 177.950 176.000 -0.228 0.000 0.984 964 Q CA 1.972 57.611 55.803 -0.274 0.000 0.869 964 Q CB -0.438 28.159 28.738 -0.234 0.000 0.906 964 Q HN 0.959 nan 8.270 nan 0.000 0.426 965 Q N 0.299 119.923 119.800 -0.293 0.000 2.046 965 Q HA -0.174 4.172 4.340 0.010 0.000 0.200 965 Q C 2.146 178.039 176.000 -0.178 0.000 0.975 965 Q CA 1.127 56.815 55.803 -0.191 0.000 0.836 965 Q CB 0.064 28.694 28.738 -0.180 0.000 0.896 965 Q HN 0.386 nan 8.270 nan 0.000 0.428 966 Q N 0.109 119.775 119.800 -0.223 0.000 2.084 966 Q HA -0.177 4.169 4.340 0.010 0.000 0.202 966 Q C 2.211 178.082 176.000 -0.215 0.000 0.978 966 Q CA 1.208 56.889 55.803 -0.204 0.000 0.844 966 Q CB -0.050 28.546 28.738 -0.237 0.000 0.898 966 Q HN 0.441 nan 8.270 nan 0.000 0.426 967 L N 0.427 121.523 121.223 -0.211 0.000 2.012 967 L HA -0.226 4.120 4.340 0.010 0.000 0.210 967 L C 2.715 179.453 176.870 -0.219 0.000 1.073 967 L CA 1.640 56.356 54.840 -0.206 0.000 0.748 967 L CB -0.449 41.526 42.059 -0.140 0.000 0.891 967 L HN 0.443 nan 8.230 nan 0.000 0.431 968 M N -1.591 117.908 119.600 -0.167 0.000 2.562 968 M HA -0.089 4.397 4.480 0.010 0.000 0.257 968 M C 1.361 177.575 176.300 -0.143 0.000 1.099 968 M CA 1.581 56.793 55.300 -0.147 0.000 1.099 968 M CB -0.184 32.361 32.600 -0.091 0.000 1.427 968 M HN 0.125 nan 8.290 nan 0.000 0.489 969 E N 0.813 120.929 120.200 -0.140 0.000 2.472 969 E HA 0.112 4.468 4.350 0.010 0.000 0.196 969 E C -0.394 176.141 176.600 -0.109 0.000 1.033 969 E CA 0.133 56.472 56.400 -0.101 0.000 0.886 969 E CB 0.634 30.288 29.700 -0.077 0.000 0.944 969 E HN 0.439 nan 8.360 nan 0.000 0.492 970 T N -0.056 114.394 114.554 -0.174 0.000 2.823 970 T HA 0.125 4.481 4.350 0.010 0.000 0.279 970 T C 0.980 175.545 174.700 -0.226 0.000 0.998 970 T CA -0.541 61.457 62.100 -0.171 0.000 0.994 970 T CB 1.768 70.508 68.868 -0.212 0.000 0.960 970 T HN -0.012 nan 8.240 nan 0.000 0.448 971 S N 1.356 117.015 115.700 -0.069 0.000 2.486 971 S HA 0.117 4.593 4.470 0.010 0.000 0.220 971 S C 0.235 174.801 174.600 -0.057 0.000 1.011 971 S CA 0.140 58.340 58.200 -0.000 0.000 0.921 971 S CB -0.233 63.114 63.200 0.245 0.000 0.785 971 S HN 0.750 nan 8.310 nan 0.000 0.517 972 H N 0.659 119.751 119.070 0.036 0.000 2.717 972 H HA 0.532 5.094 4.556 0.010 0.000 0.366 972 H C 0.972 176.293 175.328 -0.012 0.000 1.132 972 H CA -0.855 55.275 56.048 0.136 0.000 1.180 972 H CB 1.448 31.324 29.762 0.191 0.000 1.678 972 H HN 0.123 nan 8.280 nan 0.000 0.537 973 R N 1.610 122.228 120.500 0.196 0.000 2.152 973 R HA -0.155 4.192 4.340 0.010 0.000 0.232 973 R C 1.218 177.527 176.300 0.015 0.000 1.117 973 R CA 1.770 57.909 56.100 0.066 0.000 0.981 973 R CB -0.388 29.982 30.300 0.117 0.000 0.870 973 R HN 0.786 nan 8.270 nan 0.000 0.451 974 H N 1.213 120.281 119.070 -0.003 0.000 2.495 974 H HA 0.043 4.605 4.556 0.010 0.000 0.287 974 H C 1.618 176.866 175.328 -0.133 0.000 1.033 974 H CA 0.755 56.764 56.048 -0.066 0.000 1.307 974 H CB -0.191 29.529 29.762 -0.070 0.000 1.401 974 H HN 0.286 nan 8.280 nan 0.000 0.555 975 L N 1.071 121.849 121.223 -0.741 0.000 2.599 975 L HA 0.134 4.480 4.340 0.010 0.000 0.230 975 L C 0.703 177.412 176.870 -0.268 0.000 1.141 975 L CA -0.052 54.460 54.840 -0.546 0.000 0.877 975 L CB -0.081 41.656 42.059 -0.535 0.000 1.009 975 L HN 0.071 nan 8.230 nan 0.000 0.447 976 L N 2.034 123.083 121.223 -0.289 0.000 2.418 976 L HA 0.070 4.417 4.340 0.010 0.000 0.274 976 L C 0.370 177.149 176.870 -0.152 0.000 1.135 976 L CA -0.075 54.539 54.840 -0.376 0.000 0.870 976 L CB 0.105 41.718 42.059 -0.745 0.000 1.154 976 L HN 0.219 nan 8.230 nan 0.000 0.462 977 H N 2.828 121.890 119.070 -0.012 0.000 2.467 977 H HA 0.536 5.098 4.556 0.010 0.000 0.326 977 H C -0.363 175.104 175.328 0.232 0.000 1.094 977 H CA -1.192 54.906 56.048 0.083 0.000 1.253 977 H CB 1.192 30.963 29.762 0.015 0.000 1.439 977 H HN 0.642 nan 8.280 nan 0.000 0.479 978 A N 4.345 127.312 122.820 0.244 0.000 2.524 978 A HA 0.047 4.373 4.320 0.010 0.000 0.250 978 A C 0.456 178.088 177.584 0.081 0.000 1.078 978 A CA -0.243 51.791 52.037 -0.005 0.000 0.761 978 A CB -0.186 18.756 19.000 -0.096 0.000 1.012 978 A HN 0.865 nan 8.150 nan 0.000 0.500 979 E N 1.388 121.616 120.200 0.046 0.000 2.369 979 E HA 0.135 4.491 4.350 0.010 0.000 0.255 979 E C 0.036 176.665 176.600 0.048 0.000 1.172 979 E CA -0.572 55.913 56.400 0.142 0.000 0.932 979 E CB 0.748 30.604 29.700 0.260 0.000 1.040 979 E HN 0.791 nan 8.360 nan 0.000 0.454 980 E N 0.378 120.604 120.200 0.043 0.000 2.384 980 E HA 0.165 4.521 4.350 0.010 0.000 0.266 980 E C 0.379 176.926 176.600 -0.089 0.000 1.012 980 E CA 0.604 56.992 56.400 -0.021 0.000 0.901 980 E CB 0.354 30.041 29.700 -0.021 0.000 0.967 980 E HN 0.676 nan 8.360 nan 0.000 0.435 981 G N 3.172 111.918 108.800 -0.091 0.000 2.598 981 G HA2 -0.236 3.730 3.960 0.010 0.000 0.244 981 G HA3 -0.236 3.730 3.960 0.010 0.000 0.244 981 G C -0.628 174.193 174.900 -0.131 0.000 1.302 981 G CA -0.087 44.941 45.100 -0.121 0.000 0.903 981 G HN 0.625 nan 8.290 nan 0.000 0.575 982 T N 0.085 114.534 114.554 -0.175 0.000 2.949 982 T HA 0.473 4.829 4.350 0.010 0.000 0.300 982 T C -0.743 173.802 174.700 -0.259 0.000 0.988 982 T CA -0.205 61.806 62.100 -0.149 0.000 0.993 982 T CB 1.234 70.092 68.868 -0.017 0.000 0.984 982 T HN 0.581 nan 8.240 nan 0.000 0.442 983 W N 3.449 124.648 121.300 -0.168 0.000 2.356 983 W HA 0.528 5.194 4.660 0.010 0.000 0.311 983 W C -0.041 176.337 176.519 -0.234 0.000 1.328 983 W CA -0.669 56.575 57.345 -0.170 0.000 1.251 983 W CB 0.515 29.891 29.460 -0.140 0.000 1.280 983 W HN 0.428 nan 8.180 nan 0.000 0.524 984 L N 5.821 127.020 121.223 -0.039 0.000 2.313 984 L HA 0.487 4.833 4.340 0.010 0.000 0.283 984 L C -0.770 175.990 176.870 -0.183 0.000 1.013 984 L CA -0.297 54.401 54.840 -0.237 0.000 0.816 984 L CB 0.697 42.480 42.059 -0.460 0.000 1.236 984 L HN 0.310 nan 8.230 nan 0.000 0.419 985 N N 6.802 125.379 118.700 -0.204 0.000 2.479 985 N HA 0.450 5.196 4.740 0.010 0.000 0.261 985 N C -1.253 174.109 175.510 -0.246 0.000 0.979 985 N CA -0.179 52.755 53.050 -0.192 0.000 0.930 985 N CB 1.959 40.364 38.487 -0.137 0.000 1.172 985 N HN 0.561 nan 8.380 nan 0.000 0.499 986 I N 2.134 122.510 120.570 -0.324 0.000 2.382 986 I HA 0.215 4.392 4.170 0.010 0.000 0.285 986 I C -0.596 175.343 176.117 -0.297 0.000 1.007 986 I CA -0.690 60.389 61.300 -0.369 0.000 1.142 986 I CB 1.230 38.807 38.000 -0.705 0.000 1.289 986 I HN 0.158 nan 8.210 nan 0.000 0.453 987 D N 4.661 124.918 120.400 -0.238 0.000 2.185 987 D HA 0.263 4.909 4.640 0.010 0.000 0.247 987 D C 0.978 176.989 176.300 -0.482 0.000 1.027 987 D CA -0.384 53.411 54.000 -0.341 0.000 0.861 987 D CB 2.308 43.008 40.800 -0.167 0.000 1.202 987 D HN 0.638 nan 8.370 nan 0.000 0.453 988 G N 0.617 108.830 108.800 -0.978 0.000 2.430 988 G HA2 0.001 3.967 3.960 0.010 0.000 0.216 988 G HA3 0.001 3.967 3.960 0.010 0.000 0.216 988 G C 0.040 174.277 174.900 -1.105 0.000 1.146 988 G CA 0.446 44.892 45.100 -1.090 0.000 0.793 988 G HN 0.373 nan 8.290 nan 0.000 0.537 989 F N -1.597 118.175 119.950 -0.296 0.000 2.588 989 F HA 0.521 5.054 4.527 0.010 0.000 0.314 989 F C -0.632 175.078 175.800 -0.151 0.000 1.134 989 F CA -1.134 56.763 58.000 -0.171 0.000 0.961 989 F CB 2.047 40.882 39.000 -0.275 0.000 1.239 989 F HN -0.004 nan 8.300 nan 0.000 0.448 990 H N 2.546 121.627 119.070 0.018 0.000 2.600 990 H HA 0.573 5.135 4.556 0.010 0.000 0.357 990 H C -0.555 174.802 175.328 0.048 0.000 1.106 990 H CA -0.881 55.156 56.048 -0.018 0.000 1.193 990 H CB 1.839 31.579 29.762 -0.036 0.000 1.594 990 H HN 0.768 nan 8.280 nan 0.000 0.526 991 M N 3.253 122.775 119.600 -0.131 0.000 2.245 991 M HA 0.276 4.763 4.480 0.010 0.000 0.330 991 M C 0.449 176.828 176.300 0.131 0.000 1.098 991 M CA 0.276 55.568 55.300 -0.014 0.000 1.172 991 M CB 0.409 32.913 32.600 -0.160 0.000 1.467 991 M HN 0.811 nan 8.290 nan 0.000 0.454 992 G N 2.830 111.699 108.800 0.116 0.000 2.614 992 G HA2 0.281 4.247 3.960 0.010 0.000 0.239 992 G HA3 0.281 4.247 3.960 0.010 0.000 0.239 992 G C 0.626 175.504 174.900 -0.037 0.000 1.240 992 G CA -0.349 44.764 45.100 0.022 0.000 0.842 992 G HN 0.985 nan 8.290 nan 0.000 0.584 993 I N -0.690 119.813 120.570 -0.112 0.000 2.852 993 I HA 0.372 4.549 4.170 0.010 0.000 0.264 993 I C 1.310 177.365 176.117 -0.104 0.000 1.179 993 I CA 0.473 61.669 61.300 -0.173 0.000 1.480 993 I CB -0.701 37.090 38.000 -0.349 0.000 1.111 993 I HN 0.924 nan 8.210 nan 0.000 0.441 994 G N 1.324 110.088 108.800 -0.059 0.000 2.645 994 G HA2 0.064 4.030 3.960 0.010 0.000 0.239 994 G HA3 0.064 4.030 3.960 0.010 0.000 0.239 994 G C 0.533 175.432 174.900 -0.001 0.000 1.331 994 G CA 0.033 45.135 45.100 0.003 0.000 0.890 994 G HN 1.420 nan 8.290 nan 0.000 0.572 995 G N -2.199 106.611 108.800 0.016 0.000 2.321 995 G HA2 0.032 3.998 3.960 0.010 0.000 0.174 995 G HA3 0.032 3.998 3.960 0.010 0.000 0.174 995 G C 0.595 175.540 174.900 0.076 0.000 1.008 995 G CA 0.932 46.042 45.100 0.018 0.000 0.739 995 G HN 0.969 nan 8.290 nan 0.000 0.502 996 D N 1.157 121.623 120.400 0.110 0.000 2.190 996 D HA 0.092 4.738 4.640 0.010 0.000 0.200 996 D C 1.096 177.418 176.300 0.037 0.000 0.992 996 D CA 2.113 56.236 54.000 0.205 0.000 0.854 996 D CB 0.169 41.095 40.800 0.211 0.000 0.936 996 D HN 0.808 nan 8.370 nan 0.000 0.462 997 D N -3.232 116.984 120.400 -0.307 0.000 2.626 997 D HA 0.348 4.994 4.640 0.010 0.000 0.278 997 D C -0.778 175.017 176.300 -0.843 0.000 1.211 997 D CA -0.738 52.666 54.000 -0.993 0.000 0.903 997 D CB 0.927 40.673 40.800 -1.756 0.000 1.408 997 D HN -0.307 nan 8.370 nan 0.000 0.454 998 S N -0.715 114.317 115.700 -1.114 0.000 2.624 998 S HA 0.255 4.731 4.470 0.010 0.000 0.246 998 S C -0.620 174.019 174.600 0.065 0.000 1.072 998 S CA -0.674 57.343 58.200 -0.305 0.000 1.045 998 S CB -0.536 62.670 63.200 0.011 0.000 0.851 998 S HN 0.633 nan 8.310 nan 0.000 0.480 999 W N 0.550 121.814 121.300 -0.059 0.000 2.079 999 W HA 0.494 5.159 4.660 0.009 0.000 0.285 999 W C 0.037 176.522 176.519 -0.057 0.000 0.891 999 W CA -0.276 57.042 57.345 -0.044 0.000 1.308 999 W CB -0.406 28.965 29.460 -0.148 0.000 1.047 999 W HN 0.195 nan 8.180 nan 0.000 0.522 1000 S N -0.632 114.988 115.700 -0.133 0.000 2.556 1000 S HA 0.630 5.106 4.470 0.010 0.000 0.271 1000 S C -3.035 171.503 174.600 -0.103 0.000 1.135 1000 S CA -1.690 56.463 58.200 -0.079 0.000 0.858 1000 S CB 1.641 64.826 63.200 -0.024 0.000 1.114 1000 S HN -0.219 nan 8.310 nan 0.000 0.468 1001 P HA 0.089 nan 4.420 nan 0.000 0.257 1001 P C 0.432 177.753 177.300 0.034 0.000 1.162 1001 P CA 0.322 63.390 63.100 -0.053 0.000 0.762 1001 P CB 0.426 31.966 31.700 -0.268 0.000 0.753 1002 S N 0.675 116.447 115.700 0.121 0.000 2.787 1002 S HA 0.113 4.589 4.470 0.010 0.000 0.255 1002 S C 0.267 174.954 174.600 0.145 0.000 1.051 1002 S CA -0.289 57.961 58.200 0.083 0.000 1.124 1002 S CB -0.220 62.977 63.200 -0.005 0.000 1.104 1002 S HN 0.123 nan 8.310 nan 0.000 0.623 1003 V N 3.108 123.160 119.914 0.229 0.000 2.479 1003 V HA 0.308 4.434 4.120 0.010 0.000 0.281 1003 V C 0.821 177.066 176.094 0.252 0.000 1.031 1003 V CA -0.072 62.353 62.300 0.210 0.000 1.038 1003 V CB 0.915 32.824 31.823 0.144 0.000 0.981 1003 V HN 0.523 nan 8.190 nan 0.000 0.478 1004 S N 4.081 119.935 115.700 0.256 0.000 2.562 1004 S HA 0.298 4.774 4.470 0.010 0.000 0.281 1004 S C 1.504 176.248 174.600 0.240 0.000 1.333 1004 S CA 0.018 58.365 58.200 0.245 0.000 1.052 1004 S CB 1.137 64.511 63.200 0.291 0.000 0.884 1004 S HN 0.984 nan 8.310 nan 0.000 0.506 1005 A N 3.798 126.718 122.820 0.167 0.000 1.917 1005 A HA -0.169 4.157 4.320 0.010 0.000 0.219 1005 A C 2.036 179.667 177.584 0.079 0.000 1.182 1005 A CA 1.931 54.053 52.037 0.142 0.000 0.633 1005 A CB -0.675 18.385 19.000 0.100 0.000 0.819 1005 A HN 0.963 nan 8.150 nan 0.000 0.448 1006 E N -1.171 119.022 120.200 -0.012 0.000 2.409 1006 E HA -0.132 4.224 4.350 0.010 0.000 0.198 1006 E C 0.580 177.008 176.600 -0.287 0.000 1.024 1006 E CA 0.795 57.084 56.400 -0.186 0.000 0.861 1006 E CB -0.366 29.138 29.700 -0.327 0.000 0.788 1006 E HN 0.613 nan 8.360 nan 0.000 0.521 1007 F N 1.272 121.274 119.950 0.087 0.000 2.639 1007 F HA 0.311 4.844 4.527 0.010 0.000 0.302 1007 F C 0.656 176.496 175.800 0.067 0.000 1.097 1007 F CA -0.355 57.698 58.000 0.089 0.000 1.294 1007 F CB 0.459 39.514 39.000 0.091 0.000 1.027 1007 F HN -0.170 nan 8.300 nan 0.000 0.550 1008 Q N 0.934 120.846 119.800 0.187 0.000 2.230 1008 Q HA 0.446 4.792 4.340 0.010 0.000 0.253 1008 Q C -0.355 175.673 176.000 0.047 0.000 0.919 1008 Q CA -0.549 55.328 55.803 0.124 0.000 0.908 1008 Q CB 1.897 30.769 28.738 0.223 0.000 1.245 1008 Q HN 0.200 nan 8.270 nan 0.000 0.437 1009 L N 2.535 123.767 121.223 0.015 0.000 2.401 1009 L HA 0.125 4.472 4.340 0.010 0.000 0.283 1009 L C 0.412 177.242 176.870 -0.067 0.000 1.151 1009 L CA 0.011 54.847 54.840 -0.006 0.000 0.942 1009 L CB -0.205 41.743 42.059 -0.185 0.000 1.283 1009 L HN 0.712 nan 8.230 nan 0.000 0.442 1010 S N -0.531 115.107 115.700 -0.103 0.000 2.900 1010 S HA 0.190 4.667 4.470 0.010 0.000 0.253 1010 S C 1.334 175.863 174.600 -0.118 0.000 1.029 1010 S CA 0.156 58.132 58.200 -0.373 0.000 1.096 1010 S CB 0.852 63.602 63.200 -0.750 0.000 1.067 1010 S HN 0.512 nan 8.310 nan 0.000 0.610 1011 A N 1.633 124.392 122.820 -0.102 0.000 2.067 1011 A HA 0.477 4.803 4.320 0.010 0.000 0.219 1011 A C 2.116 179.549 177.584 -0.252 0.000 1.158 1011 A CA 1.400 53.240 52.037 -0.330 0.000 0.661 1011 A CB -1.200 17.328 19.000 -0.788 0.000 0.801 1011 A HN 1.613 nan 8.150 nan 0.000 0.452 1012 G N -1.361 107.386 108.800 -0.089 0.000 2.498 1012 G HA2 -0.286 3.680 3.960 0.010 0.000 0.229 1012 G HA3 -0.286 3.680 3.960 0.010 0.000 0.229 1012 G C 0.429 175.334 174.900 0.008 0.000 1.156 1012 G CA 0.368 45.473 45.100 0.009 0.000 0.680 1012 G HN 0.681 nan 8.290 nan 0.000 0.512 1013 R N -0.324 120.076 120.500 -0.167 0.000 2.502 1013 R HA 0.646 4.992 4.340 0.010 0.000 0.300 1013 R C -1.541 174.590 176.300 -0.281 0.000 0.984 1013 R CA -0.556 55.489 56.100 -0.091 0.000 0.882 1013 R CB 1.409 31.678 30.300 -0.052 0.000 1.180 1013 R HN 0.243 nan 8.270 nan 0.000 0.444 1014 Y N 0.488 120.790 120.300 0.003 0.000 2.485 1014 Y HA 0.370 4.926 4.550 0.010 0.000 0.345 1014 Y C -0.180 175.873 175.900 0.256 0.000 0.998 1014 Y CA -0.801 57.287 58.100 -0.020 0.000 1.059 1014 Y CB 2.047 40.396 38.460 -0.186 0.000 1.234 1014 Y HN 0.549 nan 8.280 nan 0.000 0.461 1015 H N 2.659 121.996 119.070 0.446 0.000 2.679 1015 H HA 0.586 5.148 4.556 0.010 0.000 0.360 1015 H C -1.764 173.957 175.328 0.656 0.000 1.105 1015 H CA -0.947 55.353 56.048 0.421 0.000 1.196 1015 H CB 1.125 31.030 29.762 0.238 0.000 1.636 1015 H HN 0.577 nan 8.280 nan 0.000 0.531 1016 Y N 1.860 121.971 120.300 -0.314 0.000 2.581 1016 Y HA 0.404 4.961 4.550 0.010 0.000 0.337 1016 Y C -2.015 173.681 175.900 -0.340 0.000 1.108 1016 Y CA -1.118 56.842 58.100 -0.234 0.000 1.033 1016 Y CB 1.423 39.866 38.460 -0.029 0.000 1.318 1016 Y HN 0.722 nan 8.280 nan 0.000 0.459 1017 Q N 3.646 123.406 119.800 -0.066 0.000 2.305 1017 Q HA 0.741 5.087 4.340 0.010 0.000 0.271 1017 Q C -2.136 173.935 176.000 0.119 0.000 1.046 1017 Q CA -0.970 54.805 55.803 -0.047 0.000 0.798 1017 Q CB 3.093 31.841 28.738 0.017 0.000 1.286 1017 Q HN 0.880 nan 8.270 nan 0.000 0.435 1018 L N 1.588 122.873 121.223 0.104 0.000 2.354 1018 L HA 0.688 5.034 4.340 0.010 0.000 0.269 1018 L C -0.716 176.268 176.870 0.190 0.000 1.005 1018 L CA -1.337 53.607 54.840 0.173 0.000 0.819 1018 L CB 2.426 44.572 42.059 0.145 0.000 1.311 1018 L HN 0.454 nan 8.230 nan 0.000 0.423 1019 V N 1.209 121.255 119.914 0.220 0.000 2.357 1019 V HA 0.313 4.439 4.120 0.010 0.000 0.284 1019 V C -1.037 175.216 176.094 0.265 0.000 1.018 1019 V CA -0.384 62.051 62.300 0.224 0.000 0.841 1019 V CB 1.682 33.612 31.823 0.178 0.000 0.991 1019 V HN 0.591 nan 8.190 nan 0.000 0.437 1020 W N 7.542 128.897 121.300 0.091 0.000 2.329 1020 W HA 0.680 5.346 4.660 0.010 0.000 0.312 1020 W C -0.246 176.284 176.519 0.018 0.000 1.054 1020 W CA -1.153 56.177 57.345 -0.024 0.000 1.245 1020 W CB 1.289 30.792 29.460 0.072 0.000 1.255 1020 W HN 0.822 nan 8.180 nan 0.000 0.436 1021 C N 3.903 123.444 119.300 0.401 0.000 3.241 1021 C HA 0.578 5.044 4.460 0.010 0.000 0.312 1021 C C -0.478 174.611 174.990 0.165 0.000 1.350 1021 C CA -0.961 58.219 59.018 0.270 0.000 1.415 1021 C CB 1.612 29.455 27.740 0.172 0.000 1.770 1021 C HN 0.688 nan 8.230 nan 0.000 0.466 1022 Q N 1.861 121.718 119.800 0.096 0.000 2.279 1022 Q HA 0.390 4.736 4.340 0.010 0.000 0.256 1022 Q C 0.218 176.212 176.000 -0.009 0.000 0.937 1022 Q CA -0.039 55.763 55.803 -0.002 0.000 0.933 1022 Q CB 0.957 29.671 28.738 -0.040 0.000 1.189 1022 Q HN 0.844 nan 8.270 nan 0.000 0.417 1023 K N 0.000 120.376 120.400 -0.039 0.000 2.780 1023 K HA 0.000 4.326 4.320 0.010 0.000 0.191 1023 K CA 0.000 56.273 56.287 -0.023 0.000 0.838 1023 K CB 0.000 32.486 32.500 -0.024 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543