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 1bgl_1_G DATA FIRST_RESID 3 DATA SEQUENCE ITDSLAVVLQ RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR DATA SEQUENCE SLNGEWRFAW FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN DATA SEQUENCE VTYPITVNPP FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL DATA SEQUENCE WCNGRWVGYG QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM DATA SEQUENCE WRMSGIFRDV SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD DATA SEQUENCE YLRVTVSLWQ GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS DATA SEQUENCE AEIPNLYRAV VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR DATA SEQUENCE GVNRHEHHPL HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DATA SEQUENCE DRYGLYVVDE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS DATA SEQUENCE VIIWSLGNES GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM DATA SEQUENCE YARVDEDQPF PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY DATA SEQUENCE WQAFRQYPRL QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC DATA SEQUENCE MNGLVFADRT PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL DATA SEQUENCE HWMVALDGKP LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ DATA SEQUENCE PNATAWSEAG HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG DATA SEQUENCE NKRWQFNRQS GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID DATA SEQUENCE PNAWVERWKA AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS DATA SEQUENCE RKTYRIDGSG QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP DATA SEQUENCE QENYPDRLTA ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR DATA SEQUENCE GDFQFNISRY SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS DATA SEQUENCE VSAEFQLSAG 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 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.162 176.117 0.074 0.000 1.063 3 I CA 0.000 61.339 61.300 0.064 0.000 1.566 3 I CB 0.000 38.025 38.000 0.041 0.000 1.214 4 T N -2.020 112.584 114.554 0.084 0.000 3.324 4 T HA 0.322 4.672 4.350 -0.000 0.000 0.250 4 T C 0.359 175.143 174.700 0.139 0.000 1.059 4 T CA 0.530 62.679 62.100 0.082 0.000 0.951 4 T CB -0.416 68.497 68.868 0.074 0.000 1.030 4 T HN 0.365 nan 8.240 nan 0.000 0.576 5 D N 0.961 121.477 120.400 0.195 0.000 2.520 5 D HA 0.110 4.750 4.640 -0.000 0.000 0.223 5 D C 0.519 177.062 176.300 0.404 0.000 1.186 5 D CA -0.044 54.175 54.000 0.366 0.000 0.821 5 D CB 0.696 41.736 40.800 0.399 0.000 1.072 5 D HN 0.535 nan 8.370 nan 0.000 0.518 6 S N 1.197 117.017 115.700 0.200 0.000 2.455 6 S HA 0.106 4.576 4.470 -0.000 0.000 0.278 6 S C 1.553 176.231 174.600 0.130 0.000 1.216 6 S CA -0.524 57.751 58.200 0.124 0.000 1.055 6 S CB 0.801 64.039 63.200 0.063 0.000 0.939 6 S HN -0.088 nan 8.310 nan 0.000 0.494 7 L N 4.414 125.715 121.223 0.129 0.000 2.095 7 L HA -0.301 4.039 4.340 -0.000 0.000 0.229 7 L C 3.007 179.930 176.870 0.087 0.000 1.097 7 L CA 2.706 57.630 54.840 0.140 0.000 0.813 7 L CB -1.698 40.388 42.059 0.045 0.000 0.907 7 L HN 0.922 nan 8.230 nan 0.000 0.445 8 A N -1.416 121.432 122.820 0.048 0.000 1.971 8 A HA -0.219 4.101 4.320 -0.000 0.000 0.222 8 A C 2.408 180.003 177.584 0.018 0.000 1.182 8 A CA 2.529 54.584 52.037 0.031 0.000 0.649 8 A CB -0.936 18.075 19.000 0.018 0.000 0.818 8 A HN 0.275 nan 8.150 nan 0.000 0.458 9 V N -1.207 118.713 119.914 0.010 0.000 2.341 9 V HA -0.128 3.992 4.120 -0.000 0.000 0.240 9 V C 2.503 178.542 176.094 -0.091 0.000 1.035 9 V CA 1.403 63.685 62.300 -0.029 0.000 1.033 9 V CB -0.426 31.388 31.823 -0.016 0.000 0.678 9 V HN 0.326 nan 8.190 nan 0.000 0.464 10 V N 0.804 120.643 119.914 -0.125 0.000 2.370 10 V HA -0.295 3.825 4.120 -0.000 0.000 0.252 10 V C 2.068 178.028 176.094 -0.224 0.000 1.068 10 V CA 2.216 64.300 62.300 -0.359 0.000 1.061 10 V CB -0.688 30.878 31.823 -0.428 0.000 0.656 10 V HN 0.493 nan 8.190 nan 0.000 0.455 11 L N -0.859 120.362 121.223 -0.003 0.000 2.567 11 L HA 0.045 4.385 4.340 -0.000 0.000 0.225 11 L C 2.286 179.171 176.870 0.024 0.000 1.119 11 L CA 0.291 55.221 54.840 0.149 0.000 0.871 11 L CB -0.472 41.781 42.059 0.323 0.000 1.036 11 L HN 0.282 nan 8.230 nan 0.000 0.459 12 Q N 1.856 121.630 119.800 -0.044 0.000 2.170 12 Q HA -0.179 4.161 4.340 -0.000 0.000 0.203 12 Q C 2.163 178.079 176.000 -0.139 0.000 0.976 12 Q CA 1.652 57.414 55.803 -0.068 0.000 0.858 12 Q CB 0.006 28.707 28.738 -0.061 0.000 0.907 12 Q HN 0.515 nan 8.270 nan 0.000 0.433 13 R N -0.526 119.863 120.500 -0.184 0.000 2.189 13 R HA 0.153 4.493 4.340 -0.000 0.000 0.218 13 R C 0.170 176.240 176.300 -0.382 0.000 1.074 13 R CA 0.544 56.499 56.100 -0.242 0.000 0.991 13 R CB -0.281 29.889 30.300 -0.217 0.000 0.883 13 R HN -0.005 nan 8.270 nan 0.000 0.457 14 R N 1.415 121.564 120.500 -0.585 0.000 3.146 14 R HA -0.133 4.207 4.340 -0.000 0.000 0.250 14 R C -0.940 174.795 176.300 -0.943 0.000 0.912 14 R CA 0.613 55.924 56.100 -1.316 0.000 0.633 14 R CB -1.354 28.333 30.300 -1.021 0.000 1.180 14 R HN 0.452 nan 8.270 nan 0.000 0.464 15 D N -0.249 119.786 120.400 -0.608 0.000 2.323 15 D HA -0.072 4.568 4.640 -0.000 0.000 0.239 15 D C 1.209 177.455 176.300 -0.089 0.000 1.129 15 D CA 0.705 54.468 54.000 -0.395 0.000 0.865 15 D CB -0.064 40.398 40.800 -0.565 0.000 0.913 15 D HN 0.676 nan 8.370 nan 0.000 0.517 16 W N 0.191 121.500 121.300 0.015 0.000 3.103 16 W HA 0.310 4.970 4.660 -0.000 0.000 0.325 16 W C 0.576 177.184 176.519 0.149 0.000 1.170 16 W CA -0.384 57.054 57.345 0.156 0.000 1.712 16 W CB 0.003 29.569 29.460 0.178 0.000 1.068 16 W HN -0.250 nan 8.180 nan 0.000 0.592 17 E N 1.807 121.878 120.200 -0.216 0.000 3.105 17 E HA 0.107 4.457 4.350 -0.000 0.000 0.219 17 E C -0.809 175.690 176.600 -0.167 0.000 1.064 17 E CA -0.160 56.185 56.400 -0.091 0.000 1.342 17 E CB -0.256 29.382 29.700 -0.103 0.000 1.295 17 E HN 0.067 nan 8.360 nan 0.000 0.438 18 N N 0.841 119.456 118.700 -0.142 0.000 2.697 18 N HA 0.115 4.855 4.740 -0.000 0.000 0.271 18 N C -2.525 172.838 175.510 -0.245 0.000 1.149 18 N CA -1.545 51.373 53.050 -0.221 0.000 0.939 18 N CB 1.564 39.932 38.487 -0.198 0.000 1.534 18 N HN -0.211 nan 8.380 nan 0.000 0.556 19 P HA 0.076 nan 4.420 nan 0.000 0.226 19 P C 1.171 178.216 177.300 -0.425 0.000 1.153 19 P CA 0.827 63.543 63.100 -0.640 0.000 0.777 19 P CB 0.200 31.041 31.700 -1.432 0.000 0.794 20 G N -0.184 108.425 108.800 -0.319 0.000 2.403 20 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.216 20 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.216 20 G C 0.363 175.190 174.900 -0.121 0.000 1.154 20 G CA 0.227 45.200 45.100 -0.213 0.000 0.784 20 G HN 0.194 nan 8.290 nan 0.000 0.538 21 V N 1.674 121.538 119.914 -0.084 0.000 2.348 21 V HA 0.381 4.501 4.120 -0.000 0.000 0.270 21 V C 1.164 177.322 176.094 0.107 0.000 1.037 21 V CA 0.479 62.787 62.300 0.013 0.000 0.872 21 V CB 0.932 32.759 31.823 0.008 0.000 1.002 21 V HN 0.341 nan 8.190 nan 0.000 0.464 22 T N 1.454 116.065 114.554 0.094 0.000 3.010 22 T HA 0.322 4.672 4.350 -0.000 0.000 0.257 22 T C 0.271 175.028 174.700 0.095 0.000 1.020 22 T CA 0.364 62.521 62.100 0.095 0.000 0.938 22 T CB 0.264 69.143 68.868 0.018 0.000 1.049 22 T HN 0.756 nan 8.240 nan 0.000 0.522 23 Q N 0.116 120.018 119.800 0.168 0.000 2.702 23 Q HA 0.662 5.002 4.340 -0.000 0.000 0.289 23 Q C -2.518 173.646 176.000 0.274 0.000 0.923 23 Q CA -1.083 54.820 55.803 0.167 0.000 0.787 23 Q CB 0.646 29.401 28.738 0.028 0.000 1.476 23 Q HN 0.078 nan 8.270 nan 0.000 0.402 24 L N 2.848 124.274 121.223 0.338 0.000 2.482 24 L HA 0.547 4.887 4.340 -0.000 0.000 0.269 24 L C -0.932 176.101 176.870 0.272 0.000 0.967 24 L CA -0.060 54.996 54.840 0.360 0.000 0.851 24 L CB 1.357 43.792 42.059 0.626 0.000 1.242 24 L HN 0.880 nan 8.230 nan 0.000 0.404 25 N N 1.482 120.265 118.700 0.139 0.000 2.725 25 N HA -0.230 4.510 4.740 -0.000 0.000 0.249 25 N C 0.326 175.832 175.510 -0.008 0.000 1.103 25 N CA 0.647 53.746 53.050 0.081 0.000 0.707 25 N CB -0.766 37.750 38.487 0.049 0.000 1.043 25 N HN 0.667 nan 8.380 nan 0.000 0.553 26 R N 0.923 121.320 120.500 -0.173 0.000 2.404 26 R HA 0.461 4.801 4.340 -0.000 0.000 0.291 26 R C 0.736 176.862 176.300 -0.290 0.000 1.025 26 R CA -0.548 55.215 56.100 -0.563 0.000 0.991 26 R CB 0.759 30.712 30.300 -0.578 0.000 1.053 26 R HN 0.128 nan 8.270 nan 0.000 0.479 27 L N 2.246 123.304 121.223 -0.275 0.000 2.470 27 L HA 0.348 4.688 4.340 -0.000 0.000 0.243 27 L C 0.710 177.549 176.870 -0.052 0.000 1.227 27 L CA -0.636 54.148 54.840 -0.095 0.000 0.824 27 L CB 0.105 42.154 42.059 -0.016 0.000 1.175 27 L HN 0.672 nan 8.230 nan 0.000 0.503 28 A N -0.082 122.754 122.820 0.028 0.000 2.286 28 A HA 0.681 5.001 4.320 -0.000 0.000 0.286 28 A C 0.148 177.812 177.584 0.132 0.000 1.097 28 A CA -0.166 51.902 52.037 0.052 0.000 0.821 28 A CB 0.674 19.715 19.000 0.068 0.000 1.076 28 A HN 0.790 nan 8.150 nan 0.000 0.490 29 A N 0.490 123.332 122.820 0.036 0.000 2.366 29 A HA 0.663 4.983 4.320 -0.000 0.000 0.250 29 A C 0.143 177.732 177.584 0.008 0.000 1.099 29 A CA 0.825 52.820 52.037 -0.071 0.000 0.794 29 A CB -0.172 18.760 19.000 -0.114 0.000 1.056 29 A HN 2.195 nan 8.150 nan 0.000 0.499 30 H N -4.098 114.857 119.070 -0.192 0.000 2.893 30 H HA 0.418 4.974 4.556 -0.000 0.000 0.251 30 H C -3.355 171.706 175.328 -0.446 0.000 1.388 30 H CA -1.307 54.561 56.048 -0.299 0.000 1.321 30 H CB -0.406 29.123 29.762 -0.387 0.000 1.828 30 H HN 0.438 nan 8.280 nan 0.000 0.455 31 P HA 0.134 nan 4.420 nan 0.000 0.278 31 P C -2.498 174.542 177.300 -0.433 0.000 1.270 31 P CA -1.024 61.824 63.100 -0.420 0.000 0.800 31 P CB -0.548 30.880 31.700 -0.454 0.000 1.142 32 P HA 0.245 nan 4.420 nan 0.000 0.282 32 P C -0.935 176.462 177.300 0.161 0.000 1.262 32 P CA 0.406 63.469 63.100 -0.063 0.000 0.773 32 P CB 0.031 31.748 31.700 0.029 0.000 0.879 33 F N 1.688 121.746 119.950 0.179 0.000 2.458 33 F HA 0.556 5.083 4.527 -0.000 0.000 0.336 33 F C 1.081 176.840 175.800 -0.069 0.000 1.114 33 F CA -1.099 56.953 58.000 0.087 0.000 0.987 33 F CB 1.232 40.270 39.000 0.064 0.000 1.130 33 F HN 0.318 nan 8.300 nan 0.000 0.458 34 A N 1.448 124.246 122.820 -0.036 0.000 1.969 34 A HA 0.342 4.662 4.320 -0.000 0.000 0.205 34 A C 0.931 178.284 177.584 -0.384 0.000 1.364 34 A CA 0.813 52.590 52.037 -0.433 0.000 0.756 34 A CB -0.379 17.816 19.000 -1.341 0.000 0.988 34 A HN 0.952 nan 8.150 nan 0.000 0.490 35 S N -1.047 114.459 115.700 -0.323 0.000 4.107 35 S HA -0.099 4.371 4.470 -0.000 0.000 0.368 35 S C -0.588 173.961 174.600 -0.086 0.000 0.980 35 S CA 0.125 58.220 58.200 -0.175 0.000 1.056 35 S CB -1.947 61.157 63.200 -0.160 0.000 0.830 35 S HN 0.467 nan 8.310 nan 0.000 0.502 36 W N 2.526 123.842 121.300 0.027 0.000 2.210 36 W HA 0.254 4.914 4.660 -0.000 0.000 0.330 36 W C 1.286 177.819 176.519 0.024 0.000 1.334 36 W CA -0.472 56.895 57.345 0.037 0.000 1.227 36 W CB 0.257 29.738 29.460 0.036 0.000 1.178 36 W HN 0.337 nan 8.180 nan 0.000 0.560 37 R N 2.588 123.261 120.500 0.289 0.000 2.568 37 R HA 0.040 4.380 4.340 -0.000 0.000 0.288 37 R C -0.111 176.286 176.300 0.163 0.000 1.077 37 R CA -0.075 56.133 56.100 0.180 0.000 1.102 37 R CB -0.504 29.878 30.300 0.137 0.000 1.278 37 R HN 0.295 nan 8.270 nan 0.000 0.560 38 N N -0.384 118.431 118.700 0.192 0.000 2.537 38 N HA -0.050 4.690 4.740 -0.000 0.000 0.281 38 N C 0.419 175.922 175.510 -0.011 0.000 1.097 38 N CA -0.117 52.983 53.050 0.085 0.000 0.964 38 N CB 1.725 40.261 38.487 0.080 0.000 1.588 38 N HN -0.114 nan 8.380 nan 0.000 0.511 39 S N 2.399 118.086 115.700 -0.022 0.000 2.440 39 S HA -0.078 4.392 4.470 -0.000 0.000 0.238 39 S C 1.088 175.593 174.600 -0.157 0.000 1.010 39 S CA 1.366 59.526 58.200 -0.066 0.000 0.972 39 S CB -0.048 63.149 63.200 -0.006 0.000 0.774 39 S HN 0.657 nan 8.310 nan 0.000 0.501 40 E N 0.400 120.515 120.200 -0.141 0.000 2.033 40 E HA -0.076 4.274 4.350 -0.000 0.000 0.189 40 E C 2.196 178.639 176.600 -0.262 0.000 0.979 40 E CA 0.968 57.258 56.400 -0.185 0.000 0.802 40 E CB -0.167 29.445 29.700 -0.148 0.000 0.763 40 E HN 0.676 nan 8.360 nan 0.000 0.449 41 E N 0.393 120.453 120.200 -0.234 0.000 2.070 41 E HA -0.230 4.120 4.350 -0.000 0.000 0.197 41 E C 1.943 178.095 176.600 -0.747 0.000 1.004 41 E CA 1.183 57.424 56.400 -0.265 0.000 0.805 41 E CB -0.065 29.631 29.700 -0.006 0.000 0.744 41 E HN 0.202 nan 8.360 nan 0.000 0.451 42 A N 1.154 123.165 122.820 -1.349 0.000 1.873 42 A HA -0.210 4.110 4.320 -0.000 0.000 0.215 42 A C 2.077 179.068 177.584 -0.989 0.000 1.186 42 A CA 1.641 52.385 52.037 -2.155 0.000 0.616 42 A CB -0.531 17.549 19.000 -1.535 0.000 0.823 42 A HN 0.157 nan 8.150 nan 0.000 0.442 43 R N 0.085 120.230 120.500 -0.592 0.000 2.103 43 R HA -0.159 4.181 4.340 -0.000 0.000 0.242 43 R C 1.770 177.850 176.300 -0.366 0.000 1.142 43 R CA 2.221 58.057 56.100 -0.439 0.000 0.960 43 R CB -0.656 29.316 30.300 -0.547 0.000 0.858 43 R HN 0.571 nan 8.270 nan 0.000 0.439 44 T N -2.202 112.145 114.554 -0.344 0.000 3.272 44 T HA 0.055 4.405 4.350 -0.000 0.000 0.250 44 T C 0.293 174.923 174.700 -0.117 0.000 1.082 44 T CA 0.404 62.380 62.100 -0.208 0.000 0.968 44 T CB -0.005 68.762 68.868 -0.168 0.000 1.015 44 T HN 0.353 nan 8.240 nan 0.000 0.563 45 D N 1.167 121.478 120.400 -0.147 0.000 2.931 45 D HA -0.170 4.470 4.640 -0.000 0.000 0.228 45 D C 0.258 176.683 176.300 0.208 0.000 1.180 45 D CA 0.538 54.589 54.000 0.086 0.000 0.784 45 D CB -0.671 40.205 40.800 0.126 0.000 1.093 45 D HN 0.555 nan 8.370 nan 0.000 0.421 46 R N -0.289 120.296 120.500 0.143 0.000 2.863 46 R HA 0.257 4.597 4.340 -0.000 0.000 0.273 46 R C -2.092 174.461 176.300 0.422 0.000 1.057 46 R CA -0.763 55.468 56.100 0.217 0.000 1.191 46 R CB -0.459 29.934 30.300 0.156 0.000 1.104 46 R HN 0.127 nan 8.270 nan 0.000 0.519 47 P HA 0.024 nan 4.420 nan 0.000 0.275 47 P C -0.557 176.888 177.300 0.243 0.000 1.227 47 P CA 0.084 63.324 63.100 0.234 0.000 0.781 47 P CB 0.889 32.676 31.700 0.145 0.000 0.906 48 S N 2.049 117.785 115.700 0.060 0.000 2.442 48 S HA 0.095 4.565 4.470 -0.000 0.000 0.297 48 S C 1.073 175.696 174.600 0.038 0.000 1.131 48 S CA -0.530 57.636 58.200 -0.057 0.000 1.092 48 S CB 0.294 63.172 63.200 -0.535 0.000 0.998 48 S HN 0.267 nan 8.310 nan 0.000 0.478 49 Q N 3.073 122.939 119.800 0.110 0.000 2.439 49 Q HA -0.112 4.228 4.340 -0.000 0.000 0.211 49 Q C 0.840 176.988 176.000 0.247 0.000 0.978 49 Q CA 1.020 56.915 55.803 0.153 0.000 0.897 49 Q CB -0.121 28.712 28.738 0.157 0.000 0.956 49 Q HN 0.733 nan 8.270 nan 0.000 0.483 50 Q N -0.118 119.795 119.800 0.189 0.000 2.425 50 Q HA 0.102 4.442 4.340 -0.000 0.000 0.204 50 Q C -0.261 175.881 176.000 0.236 0.000 0.933 50 Q CA 0.217 56.166 55.803 0.244 0.000 0.939 50 Q CB 0.419 29.200 28.738 0.072 0.000 1.044 50 Q HN 0.088 nan 8.270 nan 0.000 0.513 51 L N 0.713 122.031 121.223 0.157 0.000 2.305 51 L HA 0.473 4.812 4.340 -0.000 0.000 0.284 51 L C -1.134 175.830 176.870 0.156 0.000 1.013 51 L CA -0.269 54.647 54.840 0.128 0.000 0.819 51 L CB 1.249 43.317 42.059 0.015 0.000 1.227 51 L HN -0.127 nan 8.230 nan 0.000 0.417 52 R N 3.165 123.769 120.500 0.173 0.000 2.514 52 R HA 0.380 4.720 4.340 -0.000 0.000 0.296 52 R C -0.898 175.444 176.300 0.069 0.000 1.012 52 R CA -0.382 55.786 56.100 0.113 0.000 0.897 52 R CB 2.098 32.467 30.300 0.115 0.000 1.184 52 R HN 0.748 nan 8.270 nan 0.000 0.440 53 S N 2.438 118.167 115.700 0.049 0.000 2.593 53 S HA 0.316 4.786 4.470 -0.000 0.000 0.269 53 S C 0.999 175.621 174.600 0.037 0.000 1.334 53 S CA -0.224 58.001 58.200 0.041 0.000 1.015 53 S CB 0.524 63.754 63.200 0.051 0.000 0.912 53 S HN 0.579 nan 8.310 nan 0.000 0.541 54 L N 2.133 123.398 121.223 0.071 0.000 3.086 54 L HA 0.272 4.612 4.340 -0.000 0.000 0.274 54 L C -0.080 177.055 176.870 0.441 0.000 1.184 54 L CA -0.260 54.658 54.840 0.130 0.000 1.002 54 L CB -0.213 41.888 42.059 0.070 0.000 1.383 54 L HN 0.464 nan 8.230 nan 0.000 0.582 55 N N 1.950 120.797 118.700 0.246 0.000 2.458 55 N HA 0.396 5.136 4.740 -0.000 0.000 0.258 55 N C 0.681 176.359 175.510 0.280 0.000 1.219 55 N CA 1.178 54.343 53.050 0.191 0.000 0.902 55 N CB 1.342 39.864 38.487 0.059 0.000 1.076 55 N HN 0.376 nan 8.380 nan 0.000 0.455 56 G N 1.071 110.037 108.800 0.278 0.000 2.291 56 G HA2 -0.078 3.881 3.960 -0.000 0.000 0.249 56 G HA3 -0.078 3.881 3.960 -0.000 0.000 0.249 56 G C -1.444 173.730 174.900 0.456 0.000 1.340 56 G CA -0.857 44.425 45.100 0.304 0.000 1.017 56 G HN 0.465 nan 8.290 nan 0.000 0.470 57 E N 0.038 120.463 120.200 0.375 0.000 2.299 57 E HA 0.390 4.740 4.350 -0.000 0.000 0.272 57 E C -0.931 175.995 176.600 0.543 0.000 1.043 57 E CA 0.320 56.942 56.400 0.370 0.000 0.895 57 E CB 0.580 30.411 29.700 0.218 0.000 1.011 57 E HN 0.354 nan 8.360 nan 0.000 0.432 58 W N 1.717 123.123 121.300 0.178 0.000 2.975 58 W HA 0.385 5.045 4.660 -0.000 0.000 0.342 58 W C 0.044 176.699 176.519 0.226 0.000 1.168 58 W CA -0.822 56.652 57.345 0.214 0.000 1.141 58 W CB 0.846 30.481 29.460 0.291 0.000 1.445 58 W HN 0.235 nan 8.180 nan 0.000 0.560 59 R N 1.442 122.215 120.500 0.455 0.000 2.410 59 R HA 0.538 4.878 4.340 -0.000 0.000 0.288 59 R C -1.117 175.387 176.300 0.340 0.000 1.051 59 R CA -0.604 55.695 56.100 0.332 0.000 1.021 59 R CB 1.096 31.531 30.300 0.225 0.000 1.032 59 R HN 0.373 nan 8.270 nan 0.000 0.481 60 F N 0.628 120.606 119.950 0.047 0.000 2.593 60 F HA 0.671 5.198 4.527 -0.000 0.000 0.320 60 F C -1.338 174.313 175.800 -0.248 0.000 1.060 60 F CA -0.755 57.126 58.000 -0.199 0.000 0.940 60 F CB 2.075 40.878 39.000 -0.328 0.000 1.268 60 F HN 0.603 nan 8.300 nan 0.000 0.475 61 A N 3.742 125.369 122.820 -1.988 0.000 2.513 61 A HA 0.467 4.787 4.320 -0.000 0.000 0.296 61 A C -2.507 174.162 177.584 -1.525 0.000 1.052 61 A CA -0.447 50.821 52.037 -1.282 0.000 0.714 61 A CB 0.220 18.853 19.000 -0.611 0.000 1.279 61 A HN 0.943 nan 8.150 nan 0.000 0.397 62 W N 3.238 123.800 121.300 -1.230 0.000 2.478 62 W HA 0.775 5.435 4.660 -0.000 0.000 0.318 62 W C -1.826 174.245 176.519 -0.747 0.000 1.062 62 W CA -0.384 56.449 57.345 -0.854 0.000 1.210 62 W CB 1.146 30.280 29.460 -0.543 0.000 1.325 62 W HN 0.515 nan 8.180 nan 0.000 0.496 63 F N 5.948 125.283 119.950 -1.024 0.000 2.588 63 F HA 0.398 4.925 4.527 -0.000 0.000 0.314 63 F C -1.469 173.612 175.800 -1.198 0.000 1.069 63 F CA -2.553 54.973 58.000 -0.789 0.000 0.931 63 F CB 1.353 40.047 39.000 -0.510 0.000 1.260 63 F HN 0.163 nan 8.300 nan 0.000 0.465 64 P HA 0.086 nan 4.420 nan 0.000 0.226 64 P C -0.589 176.622 177.300 -0.149 0.000 1.153 64 P CA 0.934 63.909 63.100 -0.209 0.000 0.777 64 P CB 0.415 32.158 31.700 0.073 0.000 0.794 65 A N -1.732 120.995 122.820 -0.155 0.000 2.560 65 A HA 0.439 4.759 4.320 -0.000 0.000 0.300 65 A C -2.406 175.064 177.584 -0.191 0.000 1.062 65 A CA -0.897 51.062 52.037 -0.129 0.000 0.767 65 A CB 0.261 19.246 19.000 -0.026 0.000 1.288 65 A HN -0.264 nan 8.150 nan 0.000 0.396 66 P HA -0.286 nan 4.420 nan 0.000 0.219 66 P C 0.886 178.050 177.300 -0.226 0.000 1.153 66 P CA 2.102 65.023 63.100 -0.298 0.000 0.865 66 P CB 0.020 31.508 31.700 -0.353 0.000 0.788 67 E N -0.879 119.252 120.200 -0.116 0.000 2.515 67 E HA 0.054 4.404 4.350 -0.000 0.000 0.201 67 E C 1.499 178.042 176.600 -0.095 0.000 1.071 67 E CA 0.796 57.163 56.400 -0.057 0.000 0.880 67 E CB -0.427 29.286 29.700 0.023 0.000 0.828 67 E HN 0.285 nan 8.360 nan 0.000 0.540 68 A N 1.132 123.848 122.820 -0.172 0.000 2.343 68 A HA 0.186 4.506 4.320 -0.000 0.000 0.223 68 A C 0.961 178.288 177.584 -0.428 0.000 1.214 68 A CA -0.313 51.650 52.037 -0.123 0.000 0.900 68 A CB 0.460 19.503 19.000 0.071 0.000 0.942 68 A HN 0.068 nan 8.150 nan 0.000 0.507 69 V N 2.868 122.291 119.914 -0.818 0.000 2.521 69 V HA 0.224 4.344 4.120 -0.000 0.000 0.286 69 V C -2.267 173.543 176.094 -0.474 0.000 1.034 69 V CA -1.446 60.137 62.300 -1.196 0.000 1.045 69 V CB 0.276 31.458 31.823 -1.069 0.000 0.974 69 V HN 0.313 nan 8.190 nan 0.000 0.480 70 P HA 0.255 nan 4.420 nan 0.000 0.279 70 P C 0.529 177.809 177.300 -0.034 0.000 1.239 70 P CA -0.414 62.635 63.100 -0.085 0.000 0.789 70 P CB 1.347 33.052 31.700 0.008 0.000 0.933 71 E N 1.397 121.577 120.200 -0.033 0.000 2.219 71 E HA -0.173 4.177 4.350 -0.000 0.000 0.198 71 E C 1.567 178.141 176.600 -0.043 0.000 0.998 71 E CA 1.702 58.077 56.400 -0.042 0.000 0.818 71 E CB -0.345 29.335 29.700 -0.034 0.000 0.741 71 E HN 0.382 nan 8.360 nan 0.000 0.477 72 S N -0.169 115.528 115.700 -0.005 0.000 2.419 72 S HA -0.204 4.266 4.470 -0.000 0.000 0.235 72 S C 1.320 175.918 174.600 -0.003 0.000 1.019 72 S CA 0.987 59.186 58.200 -0.002 0.000 0.982 72 S CB -0.586 62.632 63.200 0.029 0.000 0.789 72 S HN 0.551 nan 8.310 nan 0.000 0.490 73 W N 2.846 124.058 121.300 -0.147 0.000 2.308 73 W HA -0.196 4.464 4.660 -0.000 0.000 0.301 73 W C 1.527 177.935 176.519 -0.184 0.000 1.220 73 W CA 1.145 58.391 57.345 -0.165 0.000 1.240 73 W CB -0.633 28.699 29.460 -0.213 0.000 1.142 73 W HN 0.236 nan 8.180 nan 0.000 0.521 74 L N 0.021 120.894 121.223 -0.583 0.000 2.017 74 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 74 L C 2.614 179.225 176.870 -0.431 0.000 1.073 74 L CA 1.783 56.192 54.840 -0.717 0.000 0.745 74 L CB -0.875 40.822 42.059 -0.603 0.000 0.894 74 L HN 0.021 nan 8.230 nan 0.000 0.432 75 E N -0.860 119.188 120.200 -0.253 0.000 2.099 75 E HA 0.036 4.386 4.350 -0.000 0.000 0.191 75 E C 0.621 177.148 176.600 -0.121 0.000 0.962 75 E CA 0.406 56.715 56.400 -0.152 0.000 0.826 75 E CB 0.227 29.874 29.700 -0.089 0.000 0.788 75 E HN 0.423 nan 8.360 nan 0.000 0.461 76 C N 1.976 121.219 119.300 -0.095 0.000 2.397 76 C HA 0.413 4.873 4.460 -0.000 0.000 0.343 76 C C 0.433 175.425 174.990 0.004 0.000 1.188 76 C CA -1.305 57.692 59.018 -0.036 0.000 1.992 76 C CB 1.265 29.004 27.740 -0.001 0.000 2.358 76 C HN 0.221 nan 8.230 nan 0.000 0.518 77 D N 0.826 121.250 120.400 0.039 0.000 2.339 77 D HA 0.333 4.973 4.640 -0.000 0.000 0.245 77 D C -0.332 176.041 176.300 0.121 0.000 1.115 77 D CA 0.151 54.216 54.000 0.109 0.000 0.917 77 D CB 0.839 41.693 40.800 0.089 0.000 1.192 77 D HN 0.396 nan 8.370 nan 0.000 0.428 78 L N 3.237 124.550 121.223 0.150 0.000 2.375 78 L HA 0.185 4.525 4.340 -0.000 0.000 0.271 78 L C -0.923 175.985 176.870 0.064 0.000 1.107 78 L CA -1.512 53.391 54.840 0.104 0.000 0.806 78 L CB 1.100 43.221 42.059 0.103 0.000 1.146 78 L HN 0.291 nan 8.230 nan 0.000 0.447 79 P HA -0.175 nan 4.420 nan 0.000 0.214 79 P C 0.559 177.875 177.300 0.027 0.000 1.162 79 P CA 1.302 64.423 63.100 0.035 0.000 0.879 79 P CB 0.098 31.815 31.700 0.028 0.000 0.786 80 E N 0.021 120.230 120.200 0.015 0.000 2.382 80 E HA 0.328 4.678 4.350 -0.000 0.000 0.190 80 E C 0.765 177.359 176.600 -0.009 0.000 1.125 80 E CA -0.182 56.216 56.400 -0.003 0.000 0.929 80 E CB -0.807 28.876 29.700 -0.028 0.000 1.053 80 E HN 0.258 nan 8.360 nan 0.000 0.475 81 A N 0.965 123.793 122.820 0.014 0.000 2.296 81 A HA 0.247 4.567 4.320 -0.000 0.000 0.264 81 A C -0.047 177.573 177.584 0.060 0.000 1.097 81 A CA -0.461 51.584 52.037 0.012 0.000 0.811 81 A CB 0.471 19.502 19.000 0.051 0.000 1.072 81 A HN 0.137 nan 8.150 nan 0.000 0.495 82 D N -0.534 119.927 120.400 0.101 0.000 2.374 82 D HA 0.487 5.126 4.640 -0.000 0.000 0.239 82 D C -0.585 175.832 176.300 0.195 0.000 0.991 82 D CA -0.113 53.987 54.000 0.167 0.000 0.960 82 D CB 1.695 42.661 40.800 0.276 0.000 1.284 82 D HN 0.441 nan 8.370 nan 0.000 0.512 83 T N 0.361 115.025 114.554 0.183 0.000 2.934 83 T HA 0.570 4.920 4.350 -0.000 0.000 0.283 83 T C -0.283 174.557 174.700 0.234 0.000 1.005 83 T CA -0.421 61.800 62.100 0.202 0.000 1.041 83 T CB 1.331 70.291 68.868 0.155 0.000 1.042 83 T HN 0.086 nan 8.240 nan 0.000 0.505 84 V N 1.874 121.953 119.914 0.275 0.000 3.023 84 V HA 0.282 4.402 4.120 -0.000 0.000 0.294 84 V C -0.516 175.745 176.094 0.277 0.000 1.324 84 V CA -0.942 61.525 62.300 0.279 0.000 0.979 84 V CB 2.372 34.394 31.823 0.332 0.000 1.093 84 V HN 0.701 nan 8.190 nan 0.000 0.434 85 V N 4.071 124.125 119.914 0.235 0.000 2.649 85 V HA 0.514 4.634 4.120 -0.000 0.000 0.292 85 V C -0.097 176.055 176.094 0.097 0.000 1.055 85 V CA -0.074 62.330 62.300 0.173 0.000 1.023 85 V CB 1.678 33.578 31.823 0.127 0.000 0.992 85 V HN 0.589 nan 8.190 nan 0.000 0.480 86 V N 6.400 126.280 119.914 -0.056 0.000 2.789 86 V HA 0.489 4.609 4.120 -0.000 0.000 0.311 86 V C -2.240 173.729 176.094 -0.208 0.000 1.073 86 V CA -1.588 60.545 62.300 -0.279 0.000 0.921 86 V CB 2.658 33.963 31.823 -0.864 0.000 1.009 86 V HN 0.783 nan 8.190 nan 0.000 0.426 87 P HA 0.474 nan 4.420 nan 0.000 0.276 87 P C -0.826 176.406 177.300 -0.112 0.000 1.261 87 P CA -0.109 62.865 63.100 -0.208 0.000 0.800 87 P CB 1.496 33.098 31.700 -0.163 0.000 1.066 88 S N -0.834 114.814 115.700 -0.086 0.000 2.627 88 S HA 0.353 4.823 4.470 -0.000 0.000 0.268 88 S C -1.509 173.036 174.600 -0.092 0.000 1.130 88 S CA -0.998 57.154 58.200 -0.079 0.000 0.819 88 S CB 0.051 63.195 63.200 -0.093 0.000 1.100 88 S HN 0.377 nan 8.310 nan 0.000 0.465 89 N N 1.202 119.790 118.700 -0.186 0.000 2.424 89 N HA 0.441 5.181 4.740 -0.000 0.000 0.271 89 N C 0.536 175.864 175.510 -0.303 0.000 0.985 89 N CA -0.704 52.197 53.050 -0.249 0.000 0.921 89 N CB 0.708 39.031 38.487 -0.274 0.000 1.149 89 N HN 0.823 nan 8.380 nan 0.000 0.492 90 W N 2.808 123.940 121.300 -0.280 0.000 2.392 90 W HA -0.113 4.547 4.660 -0.000 0.000 0.279 90 W C 0.985 177.447 176.519 -0.095 0.000 1.225 90 W CA 0.929 58.093 57.345 -0.301 0.000 1.233 90 W CB -0.405 28.814 29.460 -0.402 0.000 1.122 90 W HN 0.503 nan 8.180 nan 0.000 0.561 91 Q N 0.530 120.312 119.800 -0.031 0.000 2.170 91 Q HA -0.136 4.204 4.340 -0.000 0.000 0.203 91 Q C 2.003 177.982 176.000 -0.036 0.000 0.976 91 Q CA 1.869 57.660 55.803 -0.021 0.000 0.858 91 Q CB -0.653 27.951 28.738 -0.224 0.000 0.907 91 Q HN 0.220 nan 8.270 nan 0.000 0.433 92 M N -0.177 119.378 119.600 -0.076 0.000 2.748 92 M HA -0.034 4.446 4.480 -0.000 0.000 0.241 92 M C 0.164 176.636 176.300 0.286 0.000 1.080 92 M CA 1.234 56.547 55.300 0.021 0.000 1.068 92 M CB -0.813 31.786 32.600 -0.001 0.000 1.536 92 M HN 0.346 nan 8.290 nan 0.000 0.540 93 H N -1.640 117.451 119.070 0.035 0.000 3.052 93 H HA 0.348 4.904 4.556 -0.000 0.000 0.257 93 H C 1.250 176.446 175.328 -0.221 0.000 1.193 93 H CA 0.007 56.048 56.048 -0.012 0.000 1.072 93 H CB 0.770 30.624 29.762 0.153 0.000 1.685 93 H HN 0.487 nan 8.280 nan 0.000 0.630 94 G N 1.000 109.791 108.800 -0.014 0.000 2.179 94 G HA2 -0.413 3.547 3.960 -0.000 0.000 0.260 94 G HA3 -0.413 3.547 3.960 -0.000 0.000 0.260 94 G C 0.545 175.295 174.900 -0.250 0.000 0.977 94 G CA 0.753 45.760 45.100 -0.155 0.000 0.641 94 G HN 0.463 nan 8.290 nan 0.000 0.533 95 Y N 1.733 122.019 120.300 -0.024 0.000 2.181 95 Y HA 0.268 4.818 4.550 -0.000 0.000 0.288 95 Y C 1.647 177.269 175.900 -0.464 0.000 1.146 95 Y CA 1.457 59.371 58.100 -0.311 0.000 1.164 95 Y CB -0.075 38.147 38.460 -0.396 0.000 0.982 95 Y HN 0.668 nan 8.280 nan 0.000 0.515 96 D N -2.231 118.240 120.400 0.119 0.000 2.639 96 D HA 0.555 5.195 4.640 -0.000 0.000 0.271 96 D C -1.160 175.216 176.300 0.126 0.000 1.254 96 D CA -0.814 53.263 54.000 0.128 0.000 0.810 96 D CB 0.894 41.941 40.800 0.413 0.000 1.351 96 D HN 0.058 nan 8.370 nan 0.000 0.427 97 A N -0.188 122.698 122.820 0.110 0.000 2.286 97 A HA 0.730 5.050 4.320 -0.000 0.000 0.286 97 A C -2.408 175.145 177.584 -0.052 0.000 1.097 97 A CA -1.250 50.796 52.037 0.015 0.000 0.821 97 A CB -0.021 19.042 19.000 0.106 0.000 1.076 97 A HN 0.515 nan 8.150 nan 0.000 0.490 98 P HA 0.450 nan 4.420 nan 0.000 0.274 98 P C -0.865 176.524 177.300 0.149 0.000 1.231 98 P CA 0.147 63.109 63.100 -0.229 0.000 0.790 98 P CB 0.582 31.814 31.700 -0.779 0.000 0.951 99 I N 1.618 122.415 120.570 0.378 0.000 2.569 99 I HA 0.349 4.519 4.170 -0.000 0.000 0.296 99 I C -0.914 175.408 176.117 0.342 0.000 1.028 99 I CA -0.914 60.619 61.300 0.388 0.000 1.082 99 I CB 2.082 40.232 38.000 0.251 0.000 1.264 99 I HN 0.302 nan 8.210 nan 0.000 0.429 100 Y N 5.044 125.327 120.300 -0.027 0.000 2.526 100 Y HA 0.480 5.029 4.550 -0.000 0.000 0.328 100 Y C -0.643 175.112 175.900 -0.241 0.000 0.995 100 Y CA -0.345 57.487 58.100 -0.448 0.000 1.304 100 Y CB 1.004 38.745 38.460 -1.198 0.000 1.096 100 Y HN 0.623 nan 8.280 nan 0.000 0.499 101 T N 2.696 116.703 114.554 -0.911 0.000 2.927 101 T HA 0.324 4.674 4.350 -0.000 0.000 0.286 101 T C 0.252 174.370 174.700 -0.969 0.000 1.040 101 T CA -0.858 60.776 62.100 -0.777 0.000 1.010 101 T CB 2.295 70.928 68.868 -0.391 0.000 1.177 101 T HN 0.704 nan 8.240 nan 0.000 0.546 102 N N -0.971 117.316 118.700 -0.687 0.000 2.724 102 N HA 0.119 4.859 4.740 -0.000 0.000 0.226 102 N C 1.181 176.356 175.510 -0.559 0.000 1.030 102 N CA 0.161 52.853 53.050 -0.597 0.000 1.038 102 N CB 0.450 38.598 38.487 -0.566 0.000 1.475 102 N HN 0.292 nan 8.380 nan 0.000 0.472 103 V N 0.359 119.914 119.914 -0.599 0.000 2.721 103 V HA 0.143 4.263 4.120 -0.000 0.000 0.236 103 V C 0.472 176.257 176.094 -0.515 0.000 1.116 103 V CA 0.521 62.427 62.300 -0.657 0.000 1.148 103 V CB -0.040 31.338 31.823 -0.742 0.000 0.886 103 V HN 0.234 nan 8.190 nan 0.000 0.490 104 T N 1.563 115.882 114.554 -0.392 0.000 2.891 104 T HA 0.008 4.358 4.350 -0.000 0.000 0.296 104 T C -0.447 174.091 174.700 -0.269 0.000 1.025 104 T CA 0.621 62.556 62.100 -0.276 0.000 1.149 104 T CB -0.398 68.355 68.868 -0.192 0.000 1.007 104 T HN 0.177 nan 8.240 nan 0.000 0.528 105 Y N 4.850 125.040 120.300 -0.184 0.000 2.411 105 Y HA 0.178 4.728 4.550 -0.000 0.000 0.333 105 Y C -0.981 174.775 175.900 -0.240 0.000 1.186 105 Y CA -2.009 55.957 58.100 -0.224 0.000 1.381 105 Y CB 0.254 38.550 38.460 -0.273 0.000 1.273 105 Y HN 0.537 nan 8.280 nan 0.000 0.546 106 P HA -0.102 nan 4.420 nan 0.000 0.225 106 P C -0.166 176.951 177.300 -0.305 0.000 1.148 106 P CA 1.386 64.392 63.100 -0.156 0.000 0.779 106 P CB 0.138 31.760 31.700 -0.130 0.000 0.780 107 I N -5.571 114.742 120.570 -0.428 0.000 2.828 107 I HA 0.411 4.581 4.170 -0.000 0.000 0.302 107 I C -0.622 175.335 176.117 -0.267 0.000 1.101 107 I CA -1.022 60.007 61.300 -0.451 0.000 1.031 107 I CB 2.003 39.513 38.000 -0.816 0.000 1.231 107 I HN -0.408 nan 8.210 nan 0.000 0.427 108 T N 2.860 117.321 114.554 -0.155 0.000 2.906 108 T HA 0.092 4.442 4.350 -0.000 0.000 0.329 108 T C 0.209 174.869 174.700 -0.067 0.000 1.091 108 T CA -0.096 61.966 62.100 -0.065 0.000 1.127 108 T CB 0.684 69.549 68.868 -0.006 0.000 1.035 108 T HN 0.417 nan 8.240 nan 0.000 0.547 109 V N 3.616 123.534 119.914 0.007 0.000 2.320 109 V HA 0.372 4.492 4.120 -0.000 0.000 0.265 109 V C 0.389 176.565 176.094 0.137 0.000 1.048 109 V CA -0.316 62.026 62.300 0.069 0.000 0.865 109 V CB 0.631 32.504 31.823 0.082 0.000 1.043 109 V HN 0.901 nan 8.190 nan 0.000 0.474 110 N N 5.813 124.662 118.700 0.247 0.000 2.635 110 N HA 0.261 5.001 4.740 -0.000 0.000 0.252 110 N C -3.016 172.560 175.510 0.110 0.000 1.589 110 N CA -1.189 51.977 53.050 0.195 0.000 0.828 110 N CB 1.308 39.946 38.487 0.251 0.000 1.403 110 N HN 0.253 nan 8.380 nan 0.000 0.518 111 P HA 0.099 nan 4.420 nan 0.000 0.261 111 P C -2.276 174.729 177.300 -0.492 0.000 1.173 111 P CA -0.566 62.068 63.100 -0.777 0.000 0.760 111 P CB 0.342 31.516 31.700 -0.877 0.000 0.783 112 P HA 0.231 nan 4.420 nan 0.000 0.276 112 P C -0.656 176.513 177.300 -0.218 0.000 1.585 112 P CA -0.348 62.480 63.100 -0.453 0.000 1.162 112 P CB 0.103 31.569 31.700 -0.390 0.000 1.556 113 F N -0.039 119.982 119.950 0.118 0.000 2.418 113 F HA 0.298 4.825 4.527 -0.000 0.000 0.341 113 F C 1.106 177.066 175.800 0.266 0.000 1.120 113 F CA -0.603 57.499 58.000 0.170 0.000 1.232 113 F CB 0.518 39.576 39.000 0.097 0.000 1.175 113 F HN -0.272 nan 8.300 nan 0.000 0.569 114 V N 2.743 122.934 119.914 0.462 0.000 2.914 114 V HA 0.470 4.590 4.120 -0.000 0.000 0.314 114 V C -2.155 174.110 176.094 0.286 0.000 1.084 114 V CA -2.169 60.327 62.300 0.327 0.000 0.963 114 V CB 2.378 34.454 31.823 0.421 0.000 1.025 114 V HN 0.537 nan 8.190 nan 0.000 0.432 115 P HA 0.103 nan 4.420 nan 0.000 0.267 115 P C 0.969 178.411 177.300 0.237 0.000 1.205 115 P CA 0.135 63.342 63.100 0.178 0.000 0.765 115 P CB 0.382 32.165 31.700 0.137 0.000 0.828 116 T N -0.107 114.557 114.554 0.184 0.000 2.778 116 T HA -0.205 4.145 4.350 -0.000 0.000 0.269 116 T C 0.343 175.136 174.700 0.155 0.000 1.050 116 T CA 1.156 63.358 62.100 0.169 0.000 1.137 116 T CB -0.736 68.203 68.868 0.119 0.000 0.860 116 T HN 0.376 nan 8.240 nan 0.000 0.468 117 E N 2.672 122.974 120.200 0.169 0.000 2.105 117 E HA 0.467 4.816 4.350 -0.000 0.000 0.285 117 E C -0.399 176.334 176.600 0.223 0.000 1.055 117 E CA -0.335 56.165 56.400 0.167 0.000 0.843 117 E CB 0.397 30.206 29.700 0.182 0.000 1.067 117 E HN 0.311 nan 8.360 nan 0.000 0.398 118 N N 3.963 122.734 118.700 0.117 0.000 2.690 118 N HA 0.221 4.961 4.740 -0.000 0.000 0.255 118 N C -2.793 172.644 175.510 -0.123 0.000 1.195 118 N CA -2.549 50.553 53.050 0.087 0.000 0.790 118 N CB 0.869 39.437 38.487 0.135 0.000 1.216 118 N HN 0.039 nan 8.380 nan 0.000 0.528 119 P HA -0.045 nan 4.420 nan 0.000 0.238 119 P C -0.548 176.569 177.300 -0.305 0.000 1.090 119 P CA 0.707 63.622 63.100 -0.309 0.000 0.944 119 P CB -0.325 31.453 31.700 0.130 0.000 0.881 120 T N 2.742 116.976 114.554 -0.534 0.000 2.845 120 T HA 0.537 4.887 4.350 -0.000 0.000 0.288 120 T C 0.788 175.095 174.700 -0.655 0.000 0.980 120 T CA -0.319 61.528 62.100 -0.422 0.000 1.071 120 T CB 1.292 69.921 68.868 -0.399 0.000 0.941 120 T HN 0.309 nan 8.240 nan 0.000 0.487 121 G N 1.162 109.685 108.800 -0.461 0.000 2.814 121 G HA2 0.420 4.380 3.960 -0.000 0.000 0.300 121 G HA3 0.420 4.380 3.960 -0.000 0.000 0.300 121 G C -0.067 174.676 174.900 -0.262 0.000 1.406 121 G CA -0.527 44.224 45.100 -0.582 0.000 1.041 121 G HN 0.918 nan 8.290 nan 0.000 0.532 122 C N 3.407 122.306 119.300 -0.668 0.000 2.573 122 C HA 0.256 4.716 4.460 -0.000 0.000 0.369 122 C C 0.147 174.944 174.990 -0.321 0.000 1.205 122 C CA -0.966 57.614 59.018 -0.730 0.000 1.535 122 C CB -2.423 24.420 27.740 -1.495 0.000 2.159 122 C HN 0.553 nan 8.230 nan 0.000 0.558 123 Y N 1.589 122.025 120.300 0.226 0.000 2.326 123 Y HA 0.566 5.115 4.550 -0.000 0.000 0.324 123 Y C 0.789 177.097 175.900 0.679 0.000 1.291 123 Y CA -0.167 58.240 58.100 0.512 0.000 1.348 123 Y CB 0.887 39.700 38.460 0.588 0.000 1.294 123 Y HN 0.597 nan 8.280 nan 0.000 0.525 124 S N 1.702 117.885 115.700 0.804 0.000 2.560 124 S HA 0.638 5.108 4.470 -0.000 0.000 0.283 124 S C -2.208 172.532 174.600 0.234 0.000 1.141 124 S CA -0.654 57.860 58.200 0.524 0.000 0.902 124 S CB 0.892 64.380 63.200 0.480 0.000 1.104 124 S HN 0.693 nan 8.310 nan 0.000 0.454 125 L N 2.560 123.768 121.223 -0.024 0.000 2.415 125 L HA 0.886 5.226 4.340 -0.000 0.000 0.256 125 L C -1.134 175.729 176.870 -0.011 0.000 1.010 125 L CA 0.043 54.720 54.840 -0.271 0.000 0.826 125 L CB 2.449 43.868 42.059 -1.066 0.000 1.405 125 L HN 0.788 nan 8.230 nan 0.000 0.410 126 T N 3.868 118.441 114.554 0.031 0.000 2.906 126 T HA 0.696 5.045 4.350 -0.000 0.000 0.302 126 T C -1.262 173.545 174.700 0.178 0.000 1.002 126 T CA -0.155 62.016 62.100 0.118 0.000 0.988 126 T CB 0.425 69.309 68.868 0.027 0.000 0.972 126 T HN 0.442 nan 8.240 nan 0.000 0.447 127 F N 0.695 120.578 119.950 -0.112 0.000 2.643 127 F HA 0.798 5.325 4.527 -0.000 0.000 0.314 127 F C -0.912 174.843 175.800 -0.075 0.000 1.096 127 F CA -1.747 56.191 58.000 -0.102 0.000 0.953 127 F CB 0.983 39.908 39.000 -0.125 0.000 1.345 127 F HN 0.222 nan 8.300 nan 0.000 0.468 128 N N -0.150 118.470 118.700 -0.133 0.000 2.417 128 N HA 0.759 5.499 4.740 -0.000 0.000 0.300 128 N C -1.582 173.835 175.510 -0.156 0.000 1.102 128 N CA -0.617 52.306 53.050 -0.211 0.000 0.886 128 N CB 2.138 40.553 38.487 -0.121 0.000 1.203 128 N HN 0.585 nan 8.380 nan 0.000 0.496 129 V N 0.313 120.115 119.914 -0.187 0.000 2.604 129 V HA 0.349 4.469 4.120 -0.000 0.000 0.305 129 V C -0.308 175.692 176.094 -0.158 0.000 1.043 129 V CA -1.049 61.161 62.300 -0.149 0.000 0.888 129 V CB 1.722 33.540 31.823 -0.010 0.000 0.995 129 V HN 0.602 nan 8.190 nan 0.000 0.429 130 D N 2.676 122.904 120.400 -0.287 0.000 2.389 130 D HA 0.079 4.719 4.640 -0.000 0.000 0.247 130 D C 1.337 177.623 176.300 -0.024 0.000 1.128 130 D CA 0.071 53.949 54.000 -0.203 0.000 0.884 130 D CB 1.334 41.932 40.800 -0.335 0.000 1.194 130 D HN 0.769 nan 8.370 nan 0.000 0.441 131 E N 1.843 122.041 120.200 -0.003 0.000 2.048 131 E HA -0.284 4.066 4.350 -0.000 0.000 0.202 131 E C 1.735 178.392 176.600 0.095 0.000 1.021 131 E CA 1.746 58.172 56.400 0.042 0.000 0.825 131 E CB -0.570 29.143 29.700 0.022 0.000 0.756 131 E HN 0.592 nan 8.360 nan 0.000 0.454 132 S N 0.113 115.870 115.700 0.095 0.000 2.461 132 S HA -0.191 4.279 4.470 -0.000 0.000 0.246 132 S C 1.376 176.078 174.600 0.170 0.000 1.007 132 S CA 1.050 59.325 58.200 0.125 0.000 0.976 132 S CB -0.512 62.761 63.200 0.121 0.000 0.763 132 S HN 0.373 nan 8.310 nan 0.000 0.508 133 W N 1.004 122.212 121.300 -0.154 0.000 2.863 133 W HA 0.457 5.117 4.660 -0.000 0.000 0.258 133 W C 1.789 178.312 176.519 0.006 0.000 1.298 133 W CA -0.393 56.783 57.345 -0.281 0.000 1.451 133 W CB -0.135 29.176 29.460 -0.248 0.000 1.107 133 W HN 0.278 nan 8.180 nan 0.000 0.641 134 L N -0.613 120.743 121.223 0.222 0.000 2.554 134 L HA 0.062 4.402 4.340 -0.000 0.000 0.225 134 L C 1.836 178.776 176.870 0.117 0.000 1.104 134 L CA 0.556 55.492 54.840 0.160 0.000 0.866 134 L CB -0.380 41.749 42.059 0.117 0.000 1.047 134 L HN -0.016 nan 8.230 nan 0.000 0.468 135 Q N 0.692 120.561 119.800 0.114 0.000 2.008 135 Q HA -0.051 4.289 4.340 -0.000 0.000 0.196 135 Q C 0.168 176.218 176.000 0.084 0.000 0.973 135 Q CA 1.030 56.883 55.803 0.084 0.000 0.826 135 Q CB 0.414 29.196 28.738 0.073 0.000 0.894 135 Q HN 0.542 nan 8.270 nan 0.000 0.439 136 E N -1.525 118.745 120.200 0.116 0.000 2.378 136 E HA 0.616 4.966 4.350 -0.000 0.000 0.265 136 E C -0.062 176.611 176.600 0.122 0.000 0.932 136 E CA -0.794 55.664 56.400 0.096 0.000 0.795 136 E CB 1.526 31.277 29.700 0.085 0.000 1.296 136 E HN 0.207 nan 8.360 nan 0.000 0.438 137 G N 0.555 109.331 108.800 -0.039 0.000 2.750 137 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.228 137 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.228 137 G C -0.709 174.025 174.900 -0.278 0.000 1.367 137 G CA 0.151 45.079 45.100 -0.286 0.000 0.871 137 G HN 0.799 nan 8.290 nan 0.000 0.560 138 Q N -1.086 118.443 119.800 -0.453 0.000 2.348 138 Q HA 0.726 5.066 4.340 -0.000 0.000 0.271 138 Q C -1.071 174.768 176.000 -0.269 0.000 1.067 138 Q CA -0.482 55.169 55.803 -0.254 0.000 0.839 138 Q CB 2.014 30.654 28.738 -0.163 0.000 1.354 138 Q HN 0.614 nan 8.270 nan 0.000 0.447 139 T N 3.692 118.218 114.554 -0.047 0.000 2.906 139 T HA 0.439 4.789 4.350 -0.000 0.000 0.302 139 T C -1.125 173.640 174.700 0.109 0.000 1.002 139 T CA -0.711 61.416 62.100 0.046 0.000 0.988 139 T CB 0.633 69.619 68.868 0.196 0.000 0.972 139 T HN 0.683 nan 8.240 nan 0.000 0.447 140 R N 3.068 123.625 120.500 0.096 0.000 2.803 140 R HA 0.769 5.109 4.340 -0.000 0.000 0.276 140 R C -1.174 175.226 176.300 0.167 0.000 0.978 140 R CA -0.941 55.247 56.100 0.145 0.000 0.939 140 R CB 1.586 31.962 30.300 0.126 0.000 1.179 140 R HN 0.515 nan 8.270 nan 0.000 0.472 141 I N 3.008 123.703 120.570 0.208 0.000 2.392 141 I HA 0.384 4.554 4.170 -0.000 0.000 0.295 141 I C -0.850 175.389 176.117 0.202 0.000 0.985 141 I CA -1.042 60.357 61.300 0.165 0.000 1.221 141 I CB 1.143 39.250 38.000 0.180 0.000 1.366 141 I HN 0.599 nan 8.210 nan 0.000 0.467 142 I N 7.962 128.541 120.570 0.016 0.000 2.448 142 I HA 0.236 4.406 4.170 -0.000 0.000 0.281 142 I C -1.184 174.847 176.117 -0.143 0.000 1.027 142 I CA -0.418 60.908 61.300 0.044 0.000 1.111 142 I CB 0.885 38.896 38.000 0.019 0.000 1.236 142 I HN 0.373 nan 8.210 nan 0.000 0.452 143 F N 4.529 124.535 119.950 0.093 0.000 2.368 143 F HA 0.202 4.729 4.527 -0.000 0.000 0.362 143 F C 1.487 177.197 175.800 -0.150 0.000 1.137 143 F CA -0.367 57.595 58.000 -0.064 0.000 1.161 143 F CB 0.224 39.128 39.000 -0.161 0.000 1.265 143 F HN 0.437 nan 8.300 nan 0.000 0.530 144 D N 2.281 122.629 120.400 -0.086 0.000 2.265 144 D HA -0.006 4.634 4.640 -0.000 0.000 0.208 144 D C 1.051 177.196 176.300 -0.258 0.000 0.977 144 D CA 1.063 54.971 54.000 -0.154 0.000 0.871 144 D CB 0.276 40.968 40.800 -0.180 0.000 0.925 144 D HN 0.641 nan 8.370 nan 0.000 0.485 145 G N -0.915 107.626 108.800 -0.431 0.000 2.596 145 G HA2 0.446 4.406 3.960 -0.000 0.000 0.300 145 G HA3 0.446 4.406 3.960 -0.000 0.000 0.300 145 G C -1.594 172.764 174.900 -0.903 0.000 1.370 145 G CA -0.453 44.161 45.100 -0.809 0.000 1.170 145 G HN -0.049 nan 8.290 nan 0.000 0.594 146 V N 2.736 122.339 119.914 -0.517 0.000 2.655 146 V HA 0.554 4.674 4.120 -0.000 0.000 0.301 146 V C -1.010 175.051 176.094 -0.055 0.000 1.082 146 V CA -1.165 60.898 62.300 -0.397 0.000 0.899 146 V CB 2.046 33.343 31.823 -0.877 0.000 1.014 146 V HN 0.738 nan 8.190 nan 0.000 0.429 147 N N 2.032 120.803 118.700 0.119 0.000 2.354 147 N HA 0.388 5.128 4.740 -0.000 0.000 0.287 147 N C 0.700 176.204 175.510 -0.010 0.000 1.016 147 N CA 0.114 53.226 53.050 0.104 0.000 0.871 147 N CB 2.527 41.069 38.487 0.091 0.000 1.299 147 N HN 0.640 nan 8.380 nan 0.000 0.482 148 S N 1.846 117.563 115.700 0.028 0.000 2.412 148 S HA 0.352 4.822 4.470 -0.000 0.000 0.223 148 S C 0.874 175.547 174.600 0.122 0.000 1.048 148 S CA -0.043 58.214 58.200 0.096 0.000 0.954 148 S CB 0.060 63.349 63.200 0.149 0.000 0.840 148 S HN 0.653 nan 8.310 nan 0.000 0.503 149 A N 1.498 124.406 122.820 0.147 0.000 2.288 149 A HA 0.826 5.146 4.320 -0.000 0.000 0.328 149 A C -0.821 176.929 177.584 0.277 0.000 1.123 149 A CA -0.871 51.262 52.037 0.159 0.000 0.861 149 A CB 0.773 19.908 19.000 0.225 0.000 1.272 149 A HN 0.880 nan 8.150 nan 0.000 0.490 150 F N -0.905 118.950 119.950 -0.158 0.000 2.669 150 F HA 0.566 5.093 4.527 -0.000 0.000 0.315 150 F C -1.226 174.633 175.800 0.097 0.000 1.109 150 F CA -0.961 57.025 58.000 -0.024 0.000 1.028 150 F CB 0.425 39.380 39.000 -0.075 0.000 1.287 150 F HN 0.589 nan 8.300 nan 0.000 0.452 151 H N 2.665 121.916 119.070 0.302 0.000 2.495 151 H HA 0.844 5.400 4.556 -0.000 0.000 0.350 151 H C -0.966 174.448 175.328 0.143 0.000 1.202 151 H CA -0.536 55.641 56.048 0.214 0.000 1.322 151 H CB 2.141 32.056 29.762 0.254 0.000 1.544 151 H HN 0.955 nan 8.280 nan 0.000 0.565 152 L N 0.850 122.153 121.223 0.133 0.000 2.472 152 L HA 0.402 4.742 4.340 -0.000 0.000 0.260 152 L C -1.799 175.072 176.870 0.001 0.000 0.963 152 L CA -0.476 54.423 54.840 0.099 0.000 0.829 152 L CB 1.919 43.810 42.059 -0.280 0.000 1.348 152 L HN 0.502 nan 8.230 nan 0.000 0.408 153 W N 3.138 124.442 121.300 0.008 0.000 2.929 153 W HA 0.711 5.371 4.660 -0.000 0.000 0.345 153 W C -1.198 175.236 176.519 -0.141 0.000 1.151 153 W CA -0.819 56.480 57.345 -0.077 0.000 1.111 153 W CB 2.126 31.545 29.460 -0.068 0.000 1.449 153 W HN 0.669 nan 8.180 nan 0.000 0.572 154 C N 2.469 121.840 119.300 0.118 0.000 2.811 154 C HA 0.205 4.665 4.460 -0.000 0.000 0.352 154 C C 0.459 175.531 174.990 0.135 0.000 1.098 154 C CA -0.524 58.516 59.018 0.037 0.000 1.295 154 C CB 0.260 27.901 27.740 -0.166 0.000 1.758 154 C HN 0.824 nan 8.230 nan 0.000 0.488 155 N N 2.561 121.323 118.700 0.103 0.000 2.666 155 N HA -0.236 4.504 4.740 -0.000 0.000 0.249 155 N C 1.051 176.609 175.510 0.081 0.000 1.063 155 N CA 2.095 55.190 53.050 0.074 0.000 0.750 155 N CB -0.801 37.730 38.487 0.072 0.000 0.992 155 N HN 1.680 nan 8.380 nan 0.000 0.542 156 G N -1.220 107.631 108.800 0.084 0.000 2.179 156 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.220 156 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.220 156 G C -0.003 175.064 174.900 0.278 0.000 0.990 156 G CA 0.081 45.225 45.100 0.073 0.000 0.646 156 G HN 0.466 nan 8.290 nan 0.000 0.517 157 R N -0.682 120.046 120.500 0.381 0.000 2.393 157 R HA 0.414 4.754 4.340 -0.000 0.000 0.310 157 R C -0.085 176.403 176.300 0.314 0.000 0.968 157 R CA -0.934 55.432 56.100 0.443 0.000 0.867 157 R CB 1.180 31.790 30.300 0.516 0.000 1.124 157 R HN 0.169 nan 8.270 nan 0.000 0.450 158 W N 3.942 125.218 121.300 -0.040 0.000 2.343 158 W HA -0.031 4.629 4.660 -0.000 0.000 0.337 158 W C 0.021 176.292 176.519 -0.414 0.000 1.320 158 W CA 0.155 57.078 57.345 -0.704 0.000 1.290 158 W CB 0.523 29.605 29.460 -0.630 0.000 1.206 158 W HN 0.382 nan 8.180 nan 0.000 0.565 159 V N 5.656 124.588 119.914 -1.636 0.000 3.151 159 V HA 0.491 4.611 4.120 -0.000 0.000 0.241 159 V C 1.056 176.260 176.094 -1.484 0.000 1.173 159 V CA 1.083 62.546 62.300 -1.395 0.000 1.154 159 V CB -0.185 30.991 31.823 -1.078 0.000 0.898 159 V HN 0.855 nan 8.190 nan 0.000 0.473 160 G N -1.493 106.437 108.800 -1.451 0.000 2.393 160 G HA2 0.459 4.419 3.960 -0.000 0.000 0.264 160 G HA3 0.459 4.419 3.960 -0.000 0.000 0.264 160 G C -2.202 172.959 174.900 0.435 0.000 1.221 160 G CA -0.016 44.825 45.100 -0.430 0.000 0.912 160 G HN 0.076 nan 8.290 nan 0.000 0.483 161 Y N -0.739 119.719 120.300 0.263 0.000 2.527 161 Y HA 0.541 5.091 4.550 -0.000 0.000 0.328 161 Y C -0.379 175.553 175.900 0.052 0.000 1.216 161 Y CA 0.041 58.193 58.100 0.087 0.000 1.152 161 Y CB 1.146 39.804 38.460 0.330 0.000 1.342 161 Y HN 1.393 nan 8.280 nan 0.000 0.465 162 G N 3.722 111.915 108.800 -1.011 0.000 2.642 162 G HA2 0.699 4.659 3.960 -0.000 0.000 0.293 162 G HA3 0.699 4.659 3.960 -0.000 0.000 0.293 162 G C -1.962 172.655 174.900 -0.472 0.000 1.341 162 G CA -0.871 43.954 45.100 -0.458 0.000 0.916 162 G HN 0.612 nan 8.290 nan 0.000 0.474 163 Q N -0.504 119.219 119.800 -0.128 0.000 2.565 163 Q HA 0.476 4.816 4.340 -0.000 0.000 0.294 163 Q C -1.611 174.420 176.000 0.053 0.000 1.005 163 Q CA -0.892 54.905 55.803 -0.009 0.000 0.771 163 Q CB 2.836 31.595 28.738 0.035 0.000 1.486 163 Q HN 0.677 nan 8.270 nan 0.000 0.422 164 D N 0.584 121.038 120.400 0.090 0.000 4.520 164 D HA -0.095 4.545 4.640 -0.000 0.000 0.245 164 D C -0.316 176.043 176.300 0.097 0.000 1.068 164 D CA 0.751 54.809 54.000 0.097 0.000 1.211 164 D CB -0.495 40.347 40.800 0.069 0.000 0.818 164 D HN 0.631 nan 8.370 nan 0.000 0.392 165 S N 2.422 118.196 115.700 0.123 0.000 2.595 165 S HA -0.051 4.419 4.470 -0.000 0.000 0.235 165 S C 1.531 176.247 174.600 0.194 0.000 0.974 165 S CA 0.318 58.611 58.200 0.156 0.000 0.942 165 S CB 0.459 63.782 63.200 0.204 0.000 0.766 165 S HN 0.380 nan 8.310 nan 0.000 0.536 166 R N -0.016 120.567 120.500 0.138 0.000 2.446 166 R HA 0.519 4.859 4.340 -0.000 0.000 0.254 166 R C -0.025 176.336 176.300 0.102 0.000 0.918 166 R CA -0.059 56.130 56.100 0.148 0.000 1.069 166 R CB -0.113 30.294 30.300 0.178 0.000 1.194 166 R HN 0.373 nan 8.270 nan 0.000 0.534 167 L N 0.339 121.594 121.223 0.053 0.000 2.298 167 L HA 0.600 4.940 4.340 -0.000 0.000 0.268 167 L C -2.204 174.653 176.870 -0.023 0.000 1.010 167 L CA -2.356 52.492 54.840 0.012 0.000 0.812 167 L CB 1.580 43.641 42.059 0.002 0.000 1.331 167 L HN -0.202 nan 8.230 nan 0.000 0.450 168 P HA 0.225 nan 4.420 nan 0.000 0.284 168 P C -1.263 176.043 177.300 0.009 0.000 1.253 168 P CA -0.402 62.680 63.100 -0.030 0.000 0.800 168 P CB 1.315 32.962 31.700 -0.089 0.000 0.961 169 S N 1.859 117.635 115.700 0.127 0.000 2.566 169 S HA 0.287 4.757 4.470 -0.000 0.000 0.324 169 S C -0.454 174.265 174.600 0.198 0.000 1.081 169 S CA -0.582 57.708 58.200 0.149 0.000 1.105 169 S CB 0.432 63.906 63.200 0.457 0.000 0.981 169 S HN 0.335 nan 8.310 nan 0.000 0.464 170 E N 2.145 122.291 120.200 -0.090 0.000 2.202 170 E HA 0.635 4.985 4.350 -0.000 0.000 0.272 170 E C -1.308 175.155 176.600 -0.228 0.000 0.951 170 E CA -0.597 55.825 56.400 0.038 0.000 0.813 170 E CB 1.388 31.141 29.700 0.089 0.000 1.151 170 E HN 0.401 nan 8.360 nan 0.000 0.398 171 F N 0.297 120.331 119.950 0.138 0.000 2.608 171 F HA 0.187 4.714 4.527 -0.000 0.000 0.309 171 F C -0.235 175.607 175.800 0.070 0.000 1.103 171 F CA -1.152 56.894 58.000 0.076 0.000 0.954 171 F CB 1.471 40.491 39.000 0.034 0.000 1.267 171 F HN 0.252 nan 8.300 nan 0.000 0.444 172 D N 2.501 123.048 120.400 0.245 0.000 2.317 172 D HA 0.294 4.934 4.640 -0.000 0.000 0.252 172 D C 0.251 176.674 176.300 0.206 0.000 1.174 172 D CA 0.240 54.347 54.000 0.178 0.000 0.866 172 D CB 1.125 42.002 40.800 0.127 0.000 1.127 172 D HN 0.609 nan 8.370 nan 0.000 0.467 173 L N 2.690 124.036 121.223 0.205 0.000 2.693 173 L HA 0.044 4.384 4.340 -0.000 0.000 0.235 173 L C 2.191 179.265 176.870 0.340 0.000 1.127 173 L CA -0.225 54.766 54.840 0.252 0.000 0.914 173 L CB 0.106 42.278 42.059 0.189 0.000 1.193 173 L HN 0.274 nan 8.230 nan 0.000 0.502 174 S N 1.467 117.309 115.700 0.237 0.000 2.390 174 S HA -0.346 4.123 4.470 -0.000 0.000 0.234 174 S C 2.168 176.856 174.600 0.145 0.000 1.063 174 S CA 2.120 60.419 58.200 0.165 0.000 1.108 174 S CB -0.227 63.029 63.200 0.093 0.000 0.975 174 S HN 0.586 nan 8.310 nan 0.000 0.442 175 A N 0.348 123.241 122.820 0.121 0.000 2.066 175 A HA 0.082 4.401 4.320 -0.000 0.000 0.218 175 A C 1.520 179.062 177.584 -0.070 0.000 1.157 175 A CA 1.085 53.076 52.037 -0.077 0.000 0.670 175 A CB -0.522 18.260 19.000 -0.364 0.000 0.804 175 A HN 0.544 nan 8.150 nan 0.000 0.453 176 F N -0.579 119.388 119.950 0.029 0.000 2.731 176 F HA 0.377 4.904 4.527 -0.000 0.000 0.298 176 F C 0.516 176.337 175.800 0.035 0.000 1.106 176 F CA -1.234 56.783 58.000 0.028 0.000 1.329 176 F CB -0.915 38.099 39.000 0.023 0.000 1.100 176 F HN -0.092 nan 8.300 nan 0.000 0.592 177 L N 2.538 123.910 121.223 0.248 0.000 2.410 177 L HA 0.281 4.621 4.340 -0.000 0.000 0.273 177 L C 0.659 177.576 176.870 0.079 0.000 1.152 177 L CA -0.016 54.913 54.840 0.148 0.000 0.855 177 L CB 0.488 42.652 42.059 0.175 0.000 1.129 177 L HN 0.047 nan 8.230 nan 0.000 0.463 178 R N 1.972 122.482 120.500 0.016 0.000 2.607 178 R HA 0.705 5.045 4.340 -0.000 0.000 0.261 178 R C -0.376 175.908 176.300 -0.027 0.000 1.051 178 R CA -0.864 55.231 56.100 -0.008 0.000 1.110 178 R CB 1.245 31.521 30.300 -0.039 0.000 1.158 178 R HN 0.692 nan 8.270 nan 0.000 0.543 179 A N 0.480 123.287 122.820 -0.023 0.000 2.309 179 A HA 0.622 4.942 4.320 -0.000 0.000 0.298 179 A C 0.523 178.068 177.584 -0.064 0.000 1.165 179 A CA 0.500 52.519 52.037 -0.031 0.000 0.821 179 A CB 0.527 19.521 19.000 -0.011 0.000 1.102 179 A HN 0.853 nan 8.150 nan 0.000 0.500 180 G N 1.270 110.015 108.800 -0.092 0.000 2.464 180 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.216 180 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.216 180 G C -0.266 174.528 174.900 -0.177 0.000 1.186 180 G CA -0.083 44.951 45.100 -0.109 0.000 1.010 180 G HN 0.915 nan 8.290 nan 0.000 0.585 181 E N 1.472 121.576 120.200 -0.161 0.000 2.316 181 E HA 0.366 4.716 4.350 -0.000 0.000 0.275 181 E C -0.243 176.195 176.600 -0.270 0.000 1.029 181 E CA -0.133 56.144 56.400 -0.204 0.000 0.871 181 E CB 0.312 29.938 29.700 -0.122 0.000 1.022 181 E HN 0.388 nan 8.360 nan 0.000 0.418 182 N N 2.909 121.325 118.700 -0.473 0.000 2.225 182 N HA 0.295 5.035 4.740 -0.000 0.000 0.298 182 N C -1.044 174.287 175.510 -0.297 0.000 1.076 182 N CA -0.621 52.134 53.050 -0.491 0.000 0.792 182 N CB 2.185 40.176 38.487 -0.827 0.000 1.498 182 N HN 0.289 nan 8.380 nan 0.000 0.474 183 R N 2.461 122.927 120.500 -0.057 0.000 2.439 183 R HA 0.424 4.764 4.340 -0.000 0.000 0.310 183 R C -1.118 175.263 176.300 0.135 0.000 0.955 183 R CA -0.529 55.614 56.100 0.071 0.000 0.853 183 R CB 0.893 31.188 30.300 -0.007 0.000 1.171 183 R HN 0.518 nan 8.270 nan 0.000 0.449 184 L N 3.370 124.723 121.223 0.217 0.000 2.276 184 L HA 0.490 4.830 4.340 -0.000 0.000 0.286 184 L C -0.020 176.950 176.870 0.167 0.000 1.061 184 L CA -0.497 54.460 54.840 0.194 0.000 0.807 184 L CB 1.713 43.870 42.059 0.163 0.000 1.177 184 L HN 0.666 nan 8.230 nan 0.000 0.429 185 A N 4.506 127.410 122.820 0.139 0.000 2.323 185 A HA 0.671 4.991 4.320 -0.000 0.000 0.305 185 A C -0.745 177.154 177.584 0.525 0.000 1.275 185 A CA -0.466 51.603 52.037 0.054 0.000 0.804 185 A CB 0.960 19.381 19.000 -0.965 0.000 1.152 185 A HN 0.398 nan 8.150 nan 0.000 0.487 186 V N 3.419 123.855 119.914 0.870 0.000 2.334 186 V HA 0.455 4.575 4.120 -0.000 0.000 0.281 186 V C 0.108 176.706 176.094 0.840 0.000 1.016 186 V CA -0.316 62.476 62.300 0.820 0.000 0.832 186 V CB 0.954 33.163 31.823 0.644 0.000 0.999 186 V HN 0.968 nan 8.190 nan 0.000 0.439 187 M N 6.582 126.664 119.600 0.803 0.000 2.080 187 M HA 0.609 5.089 4.480 -0.000 0.000 0.350 187 M C -1.104 175.421 176.300 0.375 0.000 1.143 187 M CA -0.023 55.536 55.300 0.431 0.000 1.064 187 M CB 0.975 33.786 32.600 0.351 0.000 1.429 187 M HN 0.367 nan 8.290 nan 0.000 0.418 188 V N 5.296 125.417 119.914 0.345 0.000 2.834 188 V HA 0.451 4.571 4.120 -0.000 0.000 0.301 188 V C 0.335 176.564 176.094 0.225 0.000 1.066 188 V CA -0.654 61.848 62.300 0.336 0.000 1.052 188 V CB 1.388 33.483 31.823 0.452 0.000 1.021 188 V HN 0.810 nan 8.190 nan 0.000 0.480 189 L N 2.983 124.304 121.223 0.164 0.000 2.354 189 L HA 0.568 4.908 4.340 -0.000 0.000 0.269 189 L C 1.063 177.934 176.870 0.002 0.000 1.005 189 L CA -0.698 54.158 54.840 0.026 0.000 0.819 189 L CB 2.333 44.340 42.059 -0.087 0.000 1.311 189 L HN 0.616 nan 8.230 nan 0.000 0.423 190 R N 1.162 121.574 120.500 -0.147 0.000 2.090 190 R HA 0.080 4.420 4.340 -0.000 0.000 0.219 190 R C -0.527 175.474 176.300 -0.498 0.000 1.100 190 R CA 0.912 56.710 56.100 -0.502 0.000 0.991 190 R CB 0.385 30.194 30.300 -0.820 0.000 0.893 190 R HN 0.539 nan 8.270 nan 0.000 0.443 191 W N 0.032 121.365 121.300 0.054 0.000 2.706 191 W HA 0.380 5.040 4.660 -0.000 0.000 0.346 191 W C -0.080 176.521 176.519 0.136 0.000 1.071 191 W CA -0.805 56.586 57.345 0.076 0.000 1.206 191 W CB 1.694 31.202 29.460 0.079 0.000 1.413 191 W HN -0.062 nan 8.180 nan 0.000 0.542 192 S N -1.098 114.892 115.700 0.484 0.000 2.615 192 S HA 0.116 4.586 4.470 -0.000 0.000 0.268 192 S C -0.048 174.819 174.600 0.445 0.000 1.146 192 S CA -0.376 58.112 58.200 0.481 0.000 0.818 192 S CB 0.895 64.340 63.200 0.409 0.000 1.111 192 S HN 0.674 nan 8.310 nan 0.000 0.465 193 D N 0.502 121.159 120.400 0.429 0.000 2.309 193 D HA 0.078 4.718 4.640 -0.000 0.000 0.212 193 D C 1.637 178.226 176.300 0.482 0.000 0.968 193 D CA 1.211 55.472 54.000 0.436 0.000 0.882 193 D CB -0.563 40.359 40.800 0.203 0.000 0.918 193 D HN 0.732 nan 8.370 nan 0.000 0.503 194 G N -0.262 108.762 108.800 0.374 0.000 2.650 194 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.214 194 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.214 194 G C 1.601 176.698 174.900 0.327 0.000 1.136 194 G CA 0.322 45.625 45.100 0.338 0.000 0.789 194 G HN 0.262 nan 8.290 nan 0.000 0.536 195 S N 0.285 116.172 115.700 0.311 0.000 2.382 195 S HA -0.121 4.349 4.470 -0.000 0.000 0.228 195 S C 1.842 176.532 174.600 0.150 0.000 1.027 195 S CA 0.766 59.091 58.200 0.209 0.000 0.991 195 S CB -0.420 62.866 63.200 0.143 0.000 0.823 195 S HN 0.522 nan 8.310 nan 0.000 0.469 196 Y N 1.173 121.508 120.300 0.059 0.000 2.651 196 Y HA 0.052 4.602 4.550 -0.000 0.000 0.293 196 Y C 1.537 177.496 175.900 0.097 0.000 1.151 196 Y CA 0.522 58.565 58.100 -0.095 0.000 1.362 196 Y CB -0.442 37.832 38.460 -0.310 0.000 0.973 196 Y HN 0.213 nan 8.280 nan 0.000 0.561 197 L N -0.537 120.866 121.223 0.301 0.000 2.766 197 L HA 0.152 4.492 4.340 -0.000 0.000 0.242 197 L C 0.231 177.240 176.870 0.232 0.000 1.136 197 L CA 0.248 55.230 54.840 0.236 0.000 0.933 197 L CB 0.244 42.439 42.059 0.227 0.000 1.241 197 L HN 0.119 nan 8.230 nan 0.000 0.522 198 E N -0.060 120.292 120.200 0.252 0.000 3.269 198 E HA 0.062 4.412 4.350 -0.000 0.000 0.221 198 E C -0.522 176.200 176.600 0.203 0.000 1.113 198 E CA -0.080 56.454 56.400 0.225 0.000 1.385 198 E CB 0.411 30.231 29.700 0.200 0.000 1.345 198 E HN 0.024 nan 8.360 nan 0.000 0.435 199 D N 1.302 121.802 120.400 0.166 0.000 2.561 199 D HA 0.028 4.668 4.640 -0.000 0.000 0.232 199 D C -0.172 176.144 176.300 0.026 0.000 1.198 199 D CA -0.111 53.893 54.000 0.007 0.000 0.826 199 D CB 0.165 40.792 40.800 -0.287 0.000 0.992 199 D HN 0.082 nan 8.370 nan 0.000 0.490 200 Q N 0.330 120.226 119.800 0.160 0.000 2.421 200 Q HA 0.104 4.444 4.340 -0.000 0.000 0.255 200 Q C -0.058 176.025 176.000 0.138 0.000 1.013 200 Q CA 0.114 56.072 55.803 0.259 0.000 0.895 200 Q CB 0.577 29.586 28.738 0.451 0.000 1.271 200 Q HN 0.010 nan 8.270 nan 0.000 0.460 201 D N 2.751 123.233 120.400 0.137 0.000 2.541 201 D HA 0.119 4.759 4.640 -0.000 0.000 0.231 201 D C -0.725 175.639 176.300 0.107 0.000 1.163 201 D CA 0.202 54.216 54.000 0.023 0.000 1.077 201 D CB -0.414 40.425 40.800 0.065 0.000 1.110 201 D HN 0.478 nan 8.370 nan 0.000 0.499 202 M N 0.120 119.742 119.600 0.036 0.000 3.084 202 M HA 0.376 4.856 4.480 -0.000 0.000 0.273 202 M C -1.430 174.929 176.300 0.098 0.000 1.242 202 M CA -1.048 54.292 55.300 0.067 0.000 0.819 202 M CB 1.047 33.660 32.600 0.020 0.000 1.625 202 M HN -0.081 nan 8.290 nan 0.000 0.493 203 W N 1.937 123.332 121.300 0.158 0.000 2.308 203 W HA 0.327 4.987 4.660 -0.000 0.000 0.324 203 W C 0.246 176.768 176.519 0.005 0.000 1.387 203 W CA -0.103 57.315 57.345 0.122 0.000 1.250 203 W CB 0.424 29.921 29.460 0.062 0.000 1.257 203 W HN 0.381 nan 8.180 nan 0.000 0.554 204 R N 4.737 125.401 120.500 0.274 0.000 2.893 204 R HA 0.219 4.559 4.340 -0.000 0.000 0.243 204 R C 0.139 176.454 176.300 0.026 0.000 1.481 204 R CA 0.019 56.206 56.100 0.146 0.000 1.250 204 R CB -0.778 29.646 30.300 0.207 0.000 1.213 204 R HN 0.521 nan 8.270 nan 0.000 0.609 205 M N -0.346 119.187 119.600 -0.112 0.000 2.416 205 M HA 0.429 4.909 4.480 -0.000 0.000 0.227 205 M C 0.473 176.491 176.300 -0.470 0.000 1.063 205 M CA -0.468 54.647 55.300 -0.310 0.000 1.192 205 M CB 1.025 33.423 32.600 -0.336 0.000 1.274 205 M HN 0.516 nan 8.290 nan 0.000 0.645 206 S N -1.470 113.832 115.700 -0.663 0.000 2.645 206 S HA 0.719 5.189 4.470 -0.000 0.000 0.268 206 S C -0.669 173.462 174.600 -0.782 0.000 1.110 206 S CA -0.187 57.553 58.200 -0.768 0.000 0.823 206 S CB 0.963 63.547 63.200 -1.026 0.000 1.091 206 S HN 1.610 nan 8.310 nan 0.000 0.466 207 G N 0.406 108.952 108.800 -0.424 0.000 2.566 207 G HA2 0.032 3.992 3.960 -0.000 0.000 0.599 207 G HA3 0.032 3.992 3.960 -0.000 0.000 0.599 207 G C -0.599 174.304 174.900 0.004 0.000 1.292 207 G CA -0.549 44.596 45.100 0.074 0.000 0.922 207 G HN 1.552 nan 8.290 nan 0.000 0.514 208 I N 2.020 122.400 120.570 -0.317 0.000 2.472 208 I HA 0.152 4.322 4.170 -0.000 0.000 0.305 208 I C 1.577 177.529 176.117 -0.276 0.000 1.196 208 I CA 0.330 61.336 61.300 -0.491 0.000 1.613 208 I CB -0.833 36.611 38.000 -0.926 0.000 1.501 208 I HN 0.504 nan 8.210 nan 0.000 0.754 209 F N 4.155 123.956 119.950 -0.249 0.000 2.754 209 F HA 0.319 4.845 4.527 -0.000 0.000 0.297 209 F C 0.912 176.637 175.800 -0.125 0.000 1.122 209 F CA -0.576 57.312 58.000 -0.185 0.000 1.400 209 F CB -0.160 38.737 39.000 -0.172 0.000 1.117 209 F HN 0.132 nan 8.300 nan 0.000 0.587 210 R N 0.846 120.977 120.500 -0.616 0.000 2.875 210 R HA 0.329 4.669 4.340 -0.000 0.000 0.251 210 R C -0.814 175.355 176.300 -0.218 0.000 1.123 210 R CA -1.078 54.828 56.100 -0.323 0.000 1.064 210 R CB 0.262 30.412 30.300 -0.250 0.000 1.205 210 R HN -0.006 nan 8.270 nan 0.000 0.503 211 D N 0.216 120.555 120.400 -0.102 0.000 2.364 211 D HA 0.178 4.818 4.640 -0.000 0.000 0.236 211 D C -0.471 175.726 176.300 -0.172 0.000 1.221 211 D CA 0.041 53.983 54.000 -0.097 0.000 0.891 211 D CB 0.477 41.270 40.800 -0.010 0.000 1.190 211 D HN -0.000 nan 8.370 nan 0.000 0.449 212 V N 0.624 120.440 119.914 -0.165 0.000 2.588 212 V HA 0.613 4.733 4.120 -0.000 0.000 0.304 212 V C -0.320 175.691 176.094 -0.138 0.000 1.042 212 V CA -0.359 61.789 62.300 -0.252 0.000 0.877 212 V CB 1.683 33.349 31.823 -0.262 0.000 0.996 212 V HN 0.813 nan 8.190 nan 0.000 0.425 213 S N 4.813 120.413 115.700 -0.166 0.000 2.776 213 S HA 0.809 5.279 4.470 -0.000 0.000 0.292 213 S C -1.242 173.349 174.600 -0.015 0.000 1.187 213 S CA -0.935 57.234 58.200 -0.053 0.000 0.834 213 S CB 1.949 65.145 63.200 -0.006 0.000 1.199 213 S HN 0.446 nan 8.310 nan 0.000 0.514 214 L N 1.183 122.461 121.223 0.092 0.000 2.436 214 L HA 0.640 4.980 4.340 -0.000 0.000 0.268 214 L C -1.927 175.083 176.870 0.233 0.000 0.974 214 L CA -0.782 54.182 54.840 0.206 0.000 0.826 214 L CB 1.960 44.241 42.059 0.371 0.000 1.291 214 L HN 0.585 nan 8.230 nan 0.000 0.406 215 L N 2.978 124.293 121.223 0.153 0.000 2.381 215 L HA 0.471 4.811 4.340 -0.000 0.000 0.274 215 L C -0.947 175.858 176.870 -0.109 0.000 0.988 215 L CA -0.267 54.606 54.840 0.056 0.000 0.824 215 L CB 1.496 43.595 42.059 0.066 0.000 1.263 215 L HN 0.462 nan 8.230 nan 0.000 0.410 216 H N 4.276 123.093 119.070 -0.422 0.000 2.556 216 H HA 0.558 5.114 4.556 -0.000 0.000 0.310 216 H C -1.057 174.035 175.328 -0.394 0.000 1.057 216 H CA -0.028 55.601 56.048 -0.698 0.000 1.264 216 H CB 0.748 29.673 29.762 -1.396 0.000 1.404 216 H HN 0.587 nan 8.280 nan 0.000 0.462 217 K N 5.866 125.826 120.400 -0.733 0.000 2.371 217 K HA 0.350 4.670 4.320 -0.000 0.000 0.251 217 K C -2.760 173.513 176.600 -0.546 0.000 0.934 217 K CA -2.459 53.520 56.287 -0.514 0.000 0.798 217 K CB 1.849 34.152 32.500 -0.328 0.000 1.204 217 K HN 0.462 nan 8.250 nan 0.000 0.427 218 P HA -0.069 nan 4.420 nan 0.000 0.264 218 P C 0.429 177.603 177.300 -0.210 0.000 1.183 218 P CA 0.163 63.120 63.100 -0.239 0.000 0.763 218 P CB 0.426 32.034 31.700 -0.152 0.000 0.807 219 T N -0.326 114.129 114.554 -0.164 0.000 2.737 219 T HA -0.127 4.223 4.350 -0.000 0.000 0.269 219 T C 0.721 175.345 174.700 -0.127 0.000 1.040 219 T CA 1.495 63.517 62.100 -0.130 0.000 1.142 219 T CB -1.003 67.811 68.868 -0.090 0.000 0.861 219 T HN 0.369 nan 8.240 nan 0.000 0.456 220 T N 3.464 117.943 114.554 -0.125 0.000 2.929 220 T HA 0.433 4.783 4.350 -0.000 0.000 0.331 220 T C -0.199 174.412 174.700 -0.149 0.000 1.120 220 T CA -0.808 61.207 62.100 -0.141 0.000 0.973 220 T CB 0.669 69.451 68.868 -0.142 0.000 1.036 220 T HN 0.625 nan 8.240 nan 0.000 0.502 221 Q N 2.571 122.272 119.800 -0.165 0.000 2.587 221 Q HA 0.631 4.971 4.340 -0.000 0.000 0.293 221 Q C -1.014 174.885 176.000 -0.168 0.000 1.083 221 Q CA -1.202 54.492 55.803 -0.181 0.000 0.792 221 Q CB 1.480 30.081 28.738 -0.229 0.000 1.484 221 Q HN 0.417 nan 8.270 nan 0.000 0.446 222 I N 2.623 123.066 120.570 -0.212 0.000 2.379 222 I HA 0.003 4.173 4.170 -0.000 0.000 0.290 222 I C 0.830 176.808 176.117 -0.232 0.000 1.063 222 I CA -0.025 61.174 61.300 -0.168 0.000 1.351 222 I CB 1.136 38.995 38.000 -0.235 0.000 1.410 222 I HN 0.836 nan 8.210 nan 0.000 0.505 223 S N 2.998 118.691 115.700 -0.011 0.000 2.503 223 S HA 0.135 4.605 4.470 -0.000 0.000 0.217 223 S C 0.237 175.064 174.600 0.378 0.000 0.999 223 S CA -0.150 58.105 58.200 0.092 0.000 0.914 223 S CB 0.145 63.380 63.200 0.058 0.000 0.782 223 S HN 0.764 nan 8.310 nan 0.000 0.520 224 D N -0.520 120.166 120.400 0.477 0.000 2.926 224 D HA 0.428 5.068 4.640 -0.000 0.000 0.272 224 D C -1.915 174.749 176.300 0.607 0.000 1.172 224 D CA -0.736 53.602 54.000 0.563 0.000 0.731 224 D CB 0.846 41.842 40.800 0.328 0.000 1.282 224 D HN 0.196 nan 8.370 nan 0.000 0.430 225 F N -0.656 119.484 119.950 0.316 0.000 2.708 225 F HA 0.583 5.110 4.527 -0.000 0.000 0.309 225 F C -1.712 174.336 175.800 0.412 0.000 1.120 225 F CA -0.709 57.439 58.000 0.246 0.000 0.978 225 F CB 1.054 40.153 39.000 0.164 0.000 1.283 225 F HN 0.307 nan 8.300 nan 0.000 0.439 226 H N 1.418 120.472 119.070 -0.027 0.000 2.637 226 H HA 0.812 5.368 4.556 -0.000 0.000 0.363 226 H C -1.230 174.063 175.328 -0.058 0.000 1.131 226 H CA -1.445 54.526 56.048 -0.129 0.000 1.183 226 H CB 2.839 32.551 29.762 -0.083 0.000 1.637 226 H HN 0.602 nan 8.280 nan 0.000 0.531 227 V N 1.100 121.015 119.914 0.001 0.000 2.815 227 V HA 0.813 4.933 4.120 -0.000 0.000 0.314 227 V C -0.237 175.811 176.094 -0.076 0.000 1.064 227 V CA -0.707 61.579 62.300 -0.023 0.000 0.952 227 V CB 1.591 33.388 31.823 -0.044 0.000 1.020 227 V HN 0.963 nan 8.190 nan 0.000 0.439 228 A N 1.763 124.515 122.820 -0.113 0.000 2.594 228 A HA 0.855 5.175 4.320 -0.000 0.000 0.296 228 A C -0.510 176.946 177.584 -0.212 0.000 1.061 228 A CA -0.128 51.827 52.037 -0.136 0.000 0.689 228 A CB 2.027 20.977 19.000 -0.082 0.000 1.280 228 A HN 1.132 nan 8.150 nan 0.000 0.406 229 T N -0.431 113.976 114.554 -0.245 0.000 2.893 229 T HA 0.897 5.247 4.350 -0.000 0.000 0.291 229 T C -0.553 173.895 174.700 -0.421 0.000 1.028 229 T CA -0.762 61.094 62.100 -0.407 0.000 0.995 229 T CB 1.580 70.143 68.868 -0.509 0.000 1.051 229 T HN 0.853 nan 8.240 nan 0.000 0.470 230 R N 0.972 121.094 120.500 -0.630 0.000 2.668 230 R HA 0.750 5.090 4.340 -0.000 0.000 0.272 230 R C -1.502 174.390 176.300 -0.680 0.000 1.019 230 R CA -0.677 55.156 56.100 -0.445 0.000 0.894 230 R CB 1.573 31.766 30.300 -0.179 0.000 1.228 230 R HN 0.572 nan 8.270 nan 0.000 0.460 231 F N 0.152 120.066 119.950 -0.060 0.000 2.654 231 F HA 0.487 5.014 4.527 -0.000 0.000 0.334 231 F C 0.567 176.224 175.800 -0.239 0.000 1.078 231 F CA -1.135 56.777 58.000 -0.147 0.000 0.986 231 F CB 0.849 39.665 39.000 -0.307 0.000 1.362 231 F HN 0.524 nan 8.300 nan 0.000 0.498 232 N N 0.083 118.757 118.700 -0.044 0.000 2.374 232 N HA 0.052 4.792 4.740 -0.000 0.000 0.284 232 N C 0.522 175.894 175.510 -0.229 0.000 1.280 232 N CA -0.034 52.958 53.050 -0.097 0.000 0.963 232 N CB -0.120 38.340 38.487 -0.045 0.000 1.141 232 N HN 0.676 nan 8.380 nan 0.000 0.565 233 D N -1.269 119.043 120.400 -0.146 0.000 2.182 233 D HA -0.227 4.413 4.640 -0.000 0.000 0.201 233 D C 0.116 176.331 176.300 -0.142 0.000 0.986 233 D CA 1.495 55.409 54.000 -0.143 0.000 0.847 233 D CB -0.527 40.245 40.800 -0.046 0.000 0.942 233 D HN 0.715 nan 8.370 nan 0.000 0.467 234 D N -1.287 119.077 120.400 -0.061 0.000 2.593 234 D HA 0.028 4.668 4.640 -0.000 0.000 0.241 234 D C 0.012 176.490 176.300 0.296 0.000 1.257 234 D CA -1.052 53.033 54.000 0.143 0.000 0.828 234 D CB -1.246 39.627 40.800 0.122 0.000 1.049 234 D HN 0.135 nan 8.370 nan 0.000 0.490 235 F N 0.560 120.561 119.950 0.084 0.000 3.100 235 F HA -0.293 4.234 4.527 -0.000 0.000 0.284 235 F C 1.479 177.351 175.800 0.120 0.000 0.875 235 F CA 0.869 58.939 58.000 0.116 0.000 1.039 235 F CB -2.709 36.259 39.000 -0.053 0.000 1.111 235 F HN 0.133 nan 8.300 nan 0.000 0.575 236 S N -1.088 114.725 115.700 0.188 0.000 2.527 236 S HA 0.152 4.622 4.470 -0.000 0.000 0.222 236 S C 0.670 175.332 174.600 0.103 0.000 0.985 236 S CA 0.157 58.434 58.200 0.128 0.000 0.921 236 S CB 0.278 63.527 63.200 0.080 0.000 0.772 236 S HN 0.462 nan 8.310 nan 0.000 0.529 237 R N 0.275 120.848 120.500 0.122 0.000 2.604 237 R HA 0.775 5.115 4.340 -0.000 0.000 0.270 237 R C -1.414 174.935 176.300 0.081 0.000 1.052 237 R CA -0.476 55.667 56.100 0.070 0.000 0.902 237 R CB 1.715 32.026 30.300 0.018 0.000 1.233 237 R HN 0.155 nan 8.270 nan 0.000 0.455 238 A N 1.343 124.168 122.820 0.008 0.000 2.527 238 A HA 0.795 5.115 4.320 -0.000 0.000 0.293 238 A C -1.172 176.361 177.584 -0.085 0.000 1.117 238 A CA -0.739 51.232 52.037 -0.109 0.000 0.723 238 A CB 2.235 21.176 19.000 -0.097 0.000 1.313 238 A HN 0.304 nan 8.150 nan 0.000 0.411 239 V N 1.350 121.172 119.914 -0.152 0.000 2.443 239 V HA 0.390 4.510 4.120 -0.000 0.000 0.293 239 V C -0.842 175.182 176.094 -0.118 0.000 1.021 239 V CA -0.364 61.873 62.300 -0.104 0.000 0.848 239 V CB 1.229 32.981 31.823 -0.119 0.000 0.998 239 V HN 0.811 nan 8.190 nan 0.000 0.424 240 L N 4.625 125.812 121.223 -0.059 0.000 2.278 240 L HA 0.517 4.857 4.340 -0.000 0.000 0.287 240 L C 0.068 176.882 176.870 -0.094 0.000 1.072 240 L CA 0.600 55.378 54.840 -0.104 0.000 0.819 240 L CB 0.742 42.770 42.059 -0.052 0.000 1.176 240 L HN 0.746 nan 8.230 nan 0.000 0.435 241 E N 4.166 124.302 120.200 -0.108 0.000 2.113 241 E HA 0.671 5.021 4.350 -0.000 0.000 0.273 241 E C -1.217 175.352 176.600 -0.053 0.000 0.924 241 E CA -0.672 55.682 56.400 -0.078 0.000 0.764 241 E CB 1.215 30.867 29.700 -0.080 0.000 1.104 241 E HN 0.813 nan 8.360 nan 0.000 0.406 242 A N 4.545 127.345 122.820 -0.033 0.000 2.318 242 A HA 0.385 4.705 4.320 -0.000 0.000 0.317 242 A C -0.739 176.839 177.584 -0.010 0.000 1.159 242 A CA -0.681 51.363 52.037 0.012 0.000 0.799 242 A CB 1.044 20.060 19.000 0.027 0.000 1.194 242 A HN 0.715 nan 8.150 nan 0.000 0.479 243 E N 2.513 122.719 120.200 0.009 0.000 2.176 243 E HA 0.622 4.972 4.350 -0.000 0.000 0.267 243 E C -1.521 175.067 176.600 -0.018 0.000 0.893 243 E CA -0.542 55.815 56.400 -0.070 0.000 0.761 243 E CB 1.676 31.270 29.700 -0.177 0.000 1.133 243 E HN 0.372 nan 8.360 nan 0.000 0.409 244 V N 3.504 123.385 119.914 -0.056 0.000 2.864 244 V HA 0.439 4.559 4.120 -0.000 0.000 0.314 244 V C -0.490 175.617 176.094 0.022 0.000 1.073 244 V CA -0.829 61.482 62.300 0.019 0.000 0.956 244 V CB 1.786 33.568 31.823 -0.069 0.000 1.023 244 V HN 0.783 nan 8.190 nan 0.000 0.435 245 Q N 2.996 122.879 119.800 0.139 0.000 2.397 245 Q HA 0.796 5.136 4.340 -0.000 0.000 0.275 245 Q C -1.036 175.105 176.000 0.235 0.000 1.090 245 Q CA -0.868 55.055 55.803 0.201 0.000 0.809 245 Q CB 2.850 31.636 28.738 0.080 0.000 1.362 245 Q HN 0.839 nan 8.270 nan 0.000 0.431 246 M N -0.971 118.758 119.600 0.214 0.000 2.777 246 M HA 0.833 5.313 4.480 -0.000 0.000 0.307 246 M C -1.102 175.146 176.300 -0.087 0.000 1.228 246 M CA -0.524 54.762 55.300 -0.023 0.000 0.871 246 M CB 1.904 34.293 32.600 -0.351 0.000 1.721 246 M HN 0.534 nan 8.290 nan 0.000 0.487 247 C N 0.666 119.889 119.300 -0.128 0.000 2.698 247 C HA 0.993 5.452 4.460 -0.000 0.000 0.309 247 C C 0.375 175.274 174.990 -0.151 0.000 1.186 247 C CA 0.812 59.762 59.018 -0.112 0.000 1.474 247 C CB 0.969 28.663 27.740 -0.077 0.000 2.020 247 C HN 1.350 nan 8.230 nan 0.000 0.474 248 G N 3.068 111.785 108.800 -0.138 0.000 2.306 248 G HA2 0.018 3.978 3.960 -0.000 0.000 0.262 248 G HA3 0.018 3.978 3.960 -0.000 0.000 0.262 248 G C -1.130 173.677 174.900 -0.154 0.000 1.263 248 G CA -0.702 44.313 45.100 -0.141 0.000 1.088 248 G HN 0.775 nan 8.290 nan 0.000 0.489 249 E N 0.460 120.569 120.200 -0.152 0.000 2.129 249 E HA 0.452 4.802 4.350 -0.000 0.000 0.283 249 E C 0.542 177.012 176.600 -0.217 0.000 1.080 249 E CA -0.292 56.019 56.400 -0.148 0.000 0.867 249 E CB 0.523 30.159 29.700 -0.108 0.000 1.056 249 E HN 0.425 nan 8.360 nan 0.000 0.404 250 L N 4.986 126.079 121.223 -0.216 0.000 2.410 250 L HA 0.197 4.537 4.340 -0.000 0.000 0.273 250 L C 0.075 176.795 176.870 -0.250 0.000 1.152 250 L CA 0.292 54.967 54.840 -0.275 0.000 0.855 250 L CB 0.239 42.164 42.059 -0.222 0.000 1.129 250 L HN 0.472 nan 8.230 nan 0.000 0.463 251 R N 3.756 124.030 120.500 -0.376 0.000 2.985 251 R HA 0.078 4.418 4.340 -0.000 0.000 0.259 251 R C 0.429 176.417 176.300 -0.521 0.000 1.815 251 R CA -0.391 55.454 56.100 -0.425 0.000 1.278 251 R CB 0.798 30.764 30.300 -0.557 0.000 1.403 251 R HN 0.841 nan 8.270 nan 0.000 0.534 252 D N 1.781 122.083 120.400 -0.163 0.000 7.761 252 D HA -0.347 4.293 4.640 -0.000 0.000 0.203 252 D C 0.968 177.272 176.300 0.008 0.000 2.081 252 D CA 2.623 56.602 54.000 -0.033 0.000 0.670 252 D CB -0.609 40.220 40.800 0.048 0.000 0.650 252 D HN 0.701 nan 8.370 nan 0.000 0.940 253 Y N 0.193 120.484 120.300 -0.016 0.000 2.583 253 Y HA 0.377 4.927 4.550 -0.000 0.000 0.293 253 Y C 1.499 177.379 175.900 -0.033 0.000 1.157 253 Y CA -0.681 57.408 58.100 -0.018 0.000 1.315 253 Y CB -0.647 37.804 38.460 -0.016 0.000 1.021 253 Y HN -0.072 nan 8.280 nan 0.000 0.536 254 L N 2.479 123.512 121.223 -0.315 0.000 2.514 254 L HA 0.126 4.466 4.340 -0.000 0.000 0.280 254 L C 0.058 176.882 176.870 -0.076 0.000 1.223 254 L CA 0.419 55.128 54.840 -0.219 0.000 0.864 254 L CB 0.236 42.138 42.059 -0.262 0.000 1.118 254 L HN 0.196 nan 8.230 nan 0.000 0.494 255 R N 1.804 122.197 120.500 -0.178 0.000 2.698 255 R HA 0.664 5.004 4.340 -0.000 0.000 0.275 255 R C -1.627 174.470 176.300 -0.339 0.000 1.001 255 R CA -0.749 55.143 56.100 -0.347 0.000 0.896 255 R CB 2.198 32.068 30.300 -0.716 0.000 1.218 255 R HN 0.245 nan 8.270 nan 0.000 0.462 256 V N 2.037 121.836 119.914 -0.191 0.000 2.525 256 V HA 0.554 4.674 4.120 -0.000 0.000 0.299 256 V C -0.838 175.274 176.094 0.030 0.000 1.034 256 V CA -0.378 61.874 62.300 -0.080 0.000 0.863 256 V CB 2.374 34.049 31.823 -0.247 0.000 0.999 256 V HN 0.786 nan 8.190 nan 0.000 0.423 257 T N 4.826 119.479 114.554 0.166 0.000 2.829 257 T HA 0.642 4.992 4.350 -0.000 0.000 0.280 257 T C -0.685 174.023 174.700 0.013 0.000 0.999 257 T CA -0.438 61.724 62.100 0.104 0.000 0.983 257 T CB 1.801 70.733 68.868 0.107 0.000 0.968 257 T HN 0.307 nan 8.240 nan 0.000 0.446 258 V N 3.703 123.603 119.914 -0.023 0.000 2.407 258 V HA 0.572 4.692 4.120 -0.000 0.000 0.291 258 V C -0.325 175.734 176.094 -0.059 0.000 1.018 258 V CA -0.768 61.511 62.300 -0.035 0.000 0.842 258 V CB 1.708 33.508 31.823 -0.039 0.000 0.996 258 V HN 1.074 nan 8.190 nan 0.000 0.426 259 S N 5.616 121.279 115.700 -0.061 0.000 2.502 259 S HA 0.780 5.250 4.470 -0.000 0.000 0.304 259 S C -0.981 173.534 174.600 -0.142 0.000 1.097 259 S CA -0.705 57.389 58.200 -0.177 0.000 1.045 259 S CB 2.036 65.067 63.200 -0.282 0.000 1.019 259 S HN 0.455 nan 8.310 nan 0.000 0.481 260 L N 3.196 124.299 121.223 -0.201 0.000 2.272 260 L HA 0.674 5.014 4.340 -0.000 0.000 0.289 260 L C -1.576 175.269 176.870 -0.043 0.000 1.032 260 L CA -0.298 54.523 54.840 -0.032 0.000 0.810 260 L CB 0.283 42.334 42.059 -0.014 0.000 1.205 260 L HN 0.852 nan 8.230 nan 0.000 0.422 261 W N 3.550 124.944 121.300 0.157 0.000 2.736 261 W HA 0.522 5.182 4.660 -0.000 0.000 0.335 261 W C -0.310 176.353 176.519 0.240 0.000 1.059 261 W CA -0.606 56.832 57.345 0.155 0.000 1.226 261 W CB 1.519 31.027 29.460 0.080 0.000 1.416 261 W HN 0.392 nan 8.180 nan 0.000 0.505 262 Q N 2.526 122.614 119.800 0.480 0.000 2.788 262 Q HA 0.455 4.795 4.340 -0.000 0.000 0.278 262 Q C 0.738 176.829 176.000 0.152 0.000 1.126 262 Q CA 0.740 56.682 55.803 0.231 0.000 1.017 262 Q CB 0.061 28.896 28.738 0.162 0.000 1.219 262 Q HN 0.744 nan 8.270 nan 0.000 0.503 263 G N 1.864 110.734 108.800 0.117 0.000 3.031 263 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.289 263 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.289 263 G C 0.677 175.570 174.900 -0.013 0.000 1.393 263 G CA 0.366 45.481 45.100 0.026 0.000 1.010 263 G HN 0.531 nan 8.290 nan 0.000 0.579 264 E N 0.984 121.204 120.200 0.034 0.000 2.447 264 E HA 0.141 4.491 4.350 -0.000 0.000 0.204 264 E C 0.387 177.165 176.600 0.296 0.000 0.977 264 E CA 0.749 57.152 56.400 0.005 0.000 0.950 264 E CB 0.482 30.174 29.700 -0.014 0.000 0.975 264 E HN 0.512 nan 8.360 nan 0.000 0.496 265 T N 1.937 116.681 114.554 0.317 0.000 2.729 265 T HA 0.119 4.469 4.350 -0.000 0.000 0.296 265 T C 0.092 175.038 174.700 0.409 0.000 0.928 265 T CA -0.238 62.065 62.100 0.338 0.000 1.045 265 T CB 1.282 70.253 68.868 0.172 0.000 0.902 265 T HN 0.017 nan 8.240 nan 0.000 0.500 266 Q N 3.057 122.959 119.800 0.170 0.000 2.286 266 Q HA 0.172 4.512 4.340 -0.000 0.000 0.267 266 Q C 0.676 176.555 176.000 -0.201 0.000 1.028 266 Q CA -0.407 55.097 55.803 -0.498 0.000 0.901 266 Q CB 0.538 28.679 28.738 -0.995 0.000 1.183 266 Q HN 0.642 nan 8.270 nan 0.000 0.392 267 V N 2.187 122.019 119.914 -0.137 0.000 2.725 267 V HA 0.396 4.516 4.120 -0.000 0.000 0.247 267 V C 0.542 176.570 176.094 -0.110 0.000 1.058 267 V CA 0.672 62.945 62.300 -0.045 0.000 1.080 267 V CB -0.596 31.266 31.823 0.065 0.000 0.713 267 V HN 0.775 nan 8.190 nan 0.000 0.465 268 A N -0.679 122.031 122.820 -0.183 0.000 2.590 268 A HA 0.728 5.048 4.320 -0.000 0.000 0.294 268 A C -0.732 176.727 177.584 -0.210 0.000 1.046 268 A CA 0.318 52.257 52.037 -0.164 0.000 0.684 268 A CB 1.445 20.382 19.000 -0.106 0.000 1.279 268 A HN 0.410 nan 8.150 nan 0.000 0.415 269 S N -0.119 115.479 115.700 -0.170 0.000 2.556 269 S HA 0.876 5.346 4.470 -0.000 0.000 0.271 269 S C -0.460 174.080 174.600 -0.100 0.000 1.135 269 S CA 0.240 58.348 58.200 -0.153 0.000 0.858 269 S CB 1.733 64.823 63.200 -0.182 0.000 1.114 269 S HN 2.417 nan 8.310 nan 0.000 0.468 270 G N 1.551 110.305 108.800 -0.077 0.000 2.719 270 G HA2 0.631 4.591 3.960 -0.000 0.000 0.298 270 G HA3 0.631 4.591 3.960 -0.000 0.000 0.298 270 G C -1.317 173.559 174.900 -0.039 0.000 1.411 270 G CA -0.473 44.593 45.100 -0.057 0.000 0.991 270 G HN 0.761 nan 8.290 nan 0.000 0.509 271 T N -0.100 114.439 114.554 -0.024 0.000 2.893 271 T HA 0.896 5.246 4.350 -0.000 0.000 0.291 271 T C -0.092 174.595 174.700 -0.022 0.000 1.028 271 T CA 0.044 62.147 62.100 0.004 0.000 0.995 271 T CB 1.887 70.788 68.868 0.056 0.000 1.051 271 T HN 1.608 nan 8.240 nan 0.000 0.470 272 A N 2.786 125.580 122.820 -0.044 0.000 2.540 272 A HA 0.951 5.271 4.320 -0.000 0.000 0.291 272 A C -3.233 174.285 177.584 -0.110 0.000 1.083 272 A CA -1.394 50.597 52.037 -0.076 0.000 0.650 272 A CB 1.173 20.111 19.000 -0.103 0.000 1.292 272 A HN 0.576 nan 8.150 nan 0.000 0.435 273 P HA 0.729 nan 4.420 nan 0.000 0.294 273 P C -0.663 176.593 177.300 -0.073 0.000 1.323 273 P CA -0.733 62.337 63.100 -0.049 0.000 1.015 273 P CB 0.626 32.328 31.700 0.003 0.000 1.392 274 F N 0.684 120.587 119.950 -0.078 0.000 2.646 274 F HA 0.337 4.864 4.527 -0.000 0.000 0.313 274 F C 1.852 177.629 175.800 -0.038 0.000 1.256 274 F CA 2.166 60.130 58.000 -0.060 0.000 1.354 274 F CB -0.782 38.175 39.000 -0.073 0.000 1.159 274 F HN 0.679 nan 8.300 nan 0.000 0.589 275 G N -0.097 108.838 108.800 0.226 0.000 2.797 275 G HA2 0.332 4.292 3.960 -0.000 0.000 0.686 275 G HA3 0.332 4.292 3.960 -0.000 0.000 0.686 275 G C -0.315 174.613 174.900 0.047 0.000 1.452 275 G CA -0.557 44.615 45.100 0.120 0.000 0.986 275 G HN 1.266 nan 8.290 nan 0.000 0.595 276 G N 0.147 108.980 108.800 0.055 0.000 3.086 276 G HA2 0.805 4.765 3.960 -0.000 0.000 0.282 276 G HA3 0.805 4.765 3.960 -0.000 0.000 0.282 276 G C -0.080 174.834 174.900 0.023 0.000 1.343 276 G CA -0.086 45.030 45.100 0.026 0.000 0.895 276 G HN 1.001 nan 8.290 nan 0.000 0.557 277 E N -0.490 119.719 120.200 0.015 0.000 2.438 277 E HA 0.071 4.421 4.350 -0.000 0.000 0.261 277 E C -0.200 176.406 176.600 0.009 0.000 1.103 277 E CA 0.161 56.565 56.400 0.007 0.000 0.959 277 E CB 1.152 30.852 29.700 0.001 0.000 0.958 277 E HN 0.236 nan 8.360 nan 0.000 0.447 278 I N 2.553 123.120 120.570 -0.005 0.000 2.556 278 I HA -0.056 4.114 4.170 -0.000 0.000 0.284 278 I C 1.544 177.656 176.117 -0.008 0.000 1.114 278 I CA 0.235 61.525 61.300 -0.016 0.000 1.418 278 I CB 0.375 38.363 38.000 -0.020 0.000 1.394 278 I HN 0.594 nan 8.210 nan 0.000 0.552 279 I N 2.387 122.950 120.570 -0.013 0.000 3.939 279 I HA 0.227 4.397 4.170 -0.000 0.000 0.313 279 I C -0.188 175.922 176.117 -0.012 0.000 1.274 279 I CA 0.338 61.640 61.300 0.004 0.000 1.301 279 I CB 0.379 38.406 38.000 0.046 0.000 1.105 279 I HN 0.607 nan 8.210 nan 0.000 0.427 280 D N -0.066 120.315 120.400 -0.032 0.000 2.768 280 D HA 0.148 4.788 4.640 -0.000 0.000 0.327 280 D C 0.381 176.659 176.300 -0.036 0.000 1.302 280 D CA -0.445 53.537 54.000 -0.030 0.000 0.897 280 D CB 0.825 41.607 40.800 -0.030 0.000 1.420 280 D HN -0.143 nan 8.370 nan 0.000 0.494 281 E N -0.537 119.645 120.200 -0.030 0.000 2.169 281 E HA -0.193 4.157 4.350 -0.000 0.000 0.202 281 E C 1.318 177.895 176.600 -0.038 0.000 1.016 281 E CA 1.695 58.077 56.400 -0.030 0.000 0.817 281 E CB -0.107 29.579 29.700 -0.024 0.000 0.736 281 E HN 0.307 nan 8.360 nan 0.000 0.462 282 R N -0.065 120.404 120.500 -0.051 0.000 2.335 282 R HA 0.258 4.598 4.340 -0.000 0.000 0.223 282 R C 0.833 177.086 176.300 -0.078 0.000 0.940 282 R CA 0.492 56.554 56.100 -0.063 0.000 1.086 282 R CB 0.479 30.737 30.300 -0.070 0.000 1.073 282 R HN 0.224 nan 8.270 nan 0.000 0.504 283 G N 0.015 108.772 108.800 -0.071 0.000 2.464 283 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.216 283 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.216 283 G C -0.222 174.615 174.900 -0.105 0.000 1.186 283 G CA -0.666 44.388 45.100 -0.077 0.000 1.010 283 G HN 0.516 nan 8.290 nan 0.000 0.585 284 G N -2.199 106.524 108.800 -0.130 0.000 2.788 284 G HA2 0.679 4.639 3.960 -0.000 0.000 0.293 284 G HA3 0.679 4.639 3.960 -0.000 0.000 0.293 284 G C -1.349 173.404 174.900 -0.245 0.000 1.392 284 G CA -0.548 44.458 45.100 -0.157 0.000 0.810 284 G HN 0.899 nan 8.290 nan 0.000 0.508 285 Y N 1.025 121.326 120.300 0.000 0.000 2.496 285 Y HA 0.376 4.926 4.550 -0.000 0.000 0.334 285 Y C 1.586 177.507 175.900 0.035 0.000 1.080 285 Y CA 0.446 58.555 58.100 0.015 0.000 1.355 285 Y CB 1.412 39.882 38.460 0.018 0.000 1.193 285 Y HN 0.582 nan 8.280 nan 0.000 0.523 286 A N 2.227 125.114 122.820 0.111 0.000 1.929 286 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 286 A C 1.286 178.974 177.584 0.173 0.000 1.176 286 A CA 1.481 53.572 52.037 0.089 0.000 0.628 286 A CB -0.323 18.689 19.000 0.019 0.000 0.816 286 A HN 0.797 nan 8.150 nan 0.000 0.444 287 D N -0.989 119.532 120.400 0.202 0.000 2.587 287 D HA 0.236 4.876 4.640 -0.000 0.000 0.233 287 D C 0.363 176.960 176.300 0.495 0.000 1.213 287 D CA -0.068 54.059 54.000 0.211 0.000 0.827 287 D CB -0.075 40.750 40.800 0.042 0.000 1.006 287 D HN 0.313 nan 8.370 nan 0.000 0.490 288 R N -0.699 120.089 120.500 0.481 0.000 2.774 288 R HA 0.716 5.056 4.340 -0.000 0.000 0.272 288 R C -1.709 174.562 176.300 -0.049 0.000 1.000 288 R CA -1.100 55.126 56.100 0.210 0.000 0.906 288 R CB 3.024 33.365 30.300 0.069 0.000 1.227 288 R HN 0.029 nan 8.270 nan 0.000 0.468 289 V N 0.106 119.862 119.914 -0.263 0.000 3.147 289 V HA 0.630 4.750 4.120 -0.000 0.000 0.306 289 V C -1.570 174.399 176.094 -0.208 0.000 1.209 289 V CA -0.210 61.908 62.300 -0.304 0.000 1.023 289 V CB 2.770 34.263 31.823 -0.551 0.000 1.059 289 V HN 0.780 nan 8.190 nan 0.000 0.435 290 T N 6.120 120.581 114.554 -0.154 0.000 3.008 290 T HA 0.528 4.878 4.350 -0.000 0.000 0.328 290 T C -0.793 173.849 174.700 -0.098 0.000 1.020 290 T CA -0.129 61.902 62.100 -0.114 0.000 1.043 290 T CB 0.657 69.472 68.868 -0.089 0.000 1.010 290 T HN 0.529 nan 8.240 nan 0.000 0.466 291 L N 3.016 124.183 121.223 -0.093 0.000 2.375 291 L HA 0.573 4.913 4.340 -0.000 0.000 0.271 291 L C 0.728 177.559 176.870 -0.065 0.000 1.107 291 L CA -0.308 54.485 54.840 -0.078 0.000 0.806 291 L CB 0.694 42.708 42.059 -0.077 0.000 1.146 291 L HN 0.334 nan 8.230 nan 0.000 0.447 292 R N 3.804 124.267 120.500 -0.061 0.000 2.371 292 R HA 0.537 4.877 4.340 -0.000 0.000 0.312 292 R C -1.448 174.818 176.300 -0.056 0.000 0.980 292 R CA -0.557 55.507 56.100 -0.059 0.000 0.867 292 R CB 1.007 31.272 30.300 -0.058 0.000 1.163 292 R HN 0.470 nan 8.270 nan 0.000 0.492 293 L N 2.851 124.041 121.223 -0.054 0.000 2.309 293 L HA 0.441 4.781 4.340 -0.000 0.000 0.282 293 L C -0.099 176.745 176.870 -0.044 0.000 1.036 293 L CA -1.072 53.737 54.840 -0.051 0.000 0.806 293 L CB 1.093 43.123 42.059 -0.048 0.000 1.220 293 L HN 0.396 nan 8.230 nan 0.000 0.429 294 N N 2.143 120.814 118.700 -0.049 0.000 2.473 294 N HA 0.582 5.322 4.740 -0.000 0.000 0.291 294 N C -0.912 174.563 175.510 -0.059 0.000 1.083 294 N CA -0.393 52.628 53.050 -0.049 0.000 0.951 294 N CB 2.408 40.867 38.487 -0.047 0.000 1.164 294 N HN 0.208 nan 8.380 nan 0.000 0.480 295 V N 0.956 120.828 119.914 -0.071 0.000 2.569 295 V HA 0.264 4.384 4.120 -0.000 0.000 0.301 295 V C -0.157 175.871 176.094 -0.110 0.000 1.044 295 V CA -0.798 61.424 62.300 -0.130 0.000 0.874 295 V CB 2.044 33.701 31.823 -0.277 0.000 1.002 295 V HN 0.553 nan 8.190 nan 0.000 0.424 296 E N 3.954 124.108 120.200 -0.077 0.000 2.216 296 E HA 0.345 4.695 4.350 -0.000 0.000 0.279 296 E C -0.287 176.297 176.600 -0.027 0.000 0.997 296 E CA -0.414 55.965 56.400 -0.036 0.000 0.817 296 E CB 0.680 30.369 29.700 -0.018 0.000 1.096 296 E HN 0.762 nan 8.360 nan 0.000 0.393 297 N N 1.990 120.695 118.700 0.008 0.000 2.688 297 N HA -0.124 4.616 4.740 -0.000 0.000 0.258 297 N C -2.506 173.005 175.510 0.002 0.000 1.016 297 N CA 0.306 53.372 53.050 0.027 0.000 0.747 297 N CB -1.428 37.075 38.487 0.026 0.000 0.895 297 N HN 0.363 nan 8.380 nan 0.000 0.543 298 P HA 0.131 nan 4.420 nan 0.000 0.272 298 P C 0.052 177.358 177.300 0.010 0.000 1.230 298 P CA 0.092 63.082 63.100 -0.182 0.000 0.788 298 P CB 0.860 32.188 31.700 -0.620 0.000 0.949 299 K N 1.679 122.159 120.400 0.134 0.000 2.276 299 K HA 0.345 4.665 4.320 -0.000 0.000 0.285 299 K C 0.048 176.777 176.600 0.214 0.000 1.062 299 K CA -0.446 55.921 56.287 0.133 0.000 0.918 299 K CB 0.248 32.792 32.500 0.073 0.000 1.055 299 K HN 0.376 nan 8.250 nan 0.000 0.477 300 L N 2.088 123.372 121.223 0.102 0.000 2.418 300 L HA 0.381 4.721 4.340 -0.000 0.000 0.265 300 L C -0.088 176.866 176.870 0.140 0.000 1.143 300 L CA -0.871 54.044 54.840 0.126 0.000 0.809 300 L CB 0.374 42.350 42.059 -0.139 0.000 1.124 300 L HN 0.624 nan 8.230 nan 0.000 0.456 301 W N 2.605 123.930 121.300 0.041 0.000 2.438 301 W HA 0.524 5.184 4.660 -0.000 0.000 0.324 301 W C -0.044 176.435 176.519 -0.066 0.000 1.119 301 W CA 0.121 57.478 57.345 0.020 0.000 1.221 301 W CB 1.364 30.886 29.460 0.104 0.000 1.253 301 W HN 0.713 nan 8.180 nan 0.000 0.555 302 S N 2.708 117.892 115.700 -0.861 0.000 2.672 302 S HA 0.642 5.112 4.470 -0.000 0.000 0.271 302 S C -0.063 173.815 174.600 -1.203 0.000 1.171 302 S CA -0.353 57.423 58.200 -0.707 0.000 0.817 302 S CB 1.039 64.028 63.200 -0.352 0.000 1.150 302 S HN 0.970 nan 8.310 nan 0.000 0.478 303 A N 0.172 122.559 122.820 -0.722 0.000 2.072 303 A HA 0.179 4.499 4.320 -0.000 0.000 0.216 303 A C 1.686 178.924 177.584 -0.577 0.000 1.156 303 A CA 0.947 52.455 52.037 -0.881 0.000 0.701 303 A CB -0.877 17.418 19.000 -1.175 0.000 0.816 303 A HN 0.829 nan 8.150 nan 0.000 0.458 304 E N -0.254 119.729 120.200 -0.363 0.000 2.047 304 E HA -0.042 4.308 4.350 -0.000 0.000 0.191 304 E C -0.212 176.207 176.600 -0.301 0.000 0.987 304 E CA 0.919 57.145 56.400 -0.290 0.000 0.799 304 E CB -0.111 29.513 29.700 -0.128 0.000 0.752 304 E HN 0.656 nan 8.360 nan 0.000 0.449 305 I N 0.920 121.294 120.570 -0.327 0.000 2.595 305 I HA 0.166 4.336 4.170 -0.000 0.000 0.276 305 I C -2.559 173.313 176.117 -0.408 0.000 1.109 305 I CA -2.052 59.079 61.300 -0.282 0.000 1.084 305 I CB 1.948 39.845 38.000 -0.171 0.000 1.206 305 I HN -0.234 nan 8.210 nan 0.000 0.486 306 P HA 0.009 nan 4.420 nan 0.000 0.246 306 P C -0.290 176.989 177.300 -0.034 0.000 1.675 306 P CA 0.028 62.762 63.100 -0.610 0.000 0.908 306 P CB -0.443 31.127 31.700 -0.215 0.000 1.890 307 N N 1.118 119.805 118.700 -0.022 0.000 2.357 307 N HA 0.031 4.771 4.740 -0.000 0.000 0.257 307 N C 0.087 175.770 175.510 0.289 0.000 1.250 307 N CA 0.673 53.776 53.050 0.087 0.000 0.862 307 N CB 0.520 39.035 38.487 0.046 0.000 1.066 307 N HN 0.229 nan 8.380 nan 0.000 0.468 308 L N 2.104 123.422 121.223 0.158 0.000 2.309 308 L HA 0.498 4.838 4.340 -0.000 0.000 0.261 308 L C -0.892 176.019 176.870 0.069 0.000 1.021 308 L CA -0.816 54.163 54.840 0.233 0.000 0.823 308 L CB 1.330 43.501 42.059 0.188 0.000 1.366 308 L HN 0.423 nan 8.230 nan 0.000 0.423 309 Y N -0.116 120.325 120.300 0.236 0.000 2.570 309 Y HA 0.559 5.109 4.550 -0.000 0.000 0.345 309 Y C -0.173 175.845 175.900 0.197 0.000 1.014 309 Y CA -0.849 57.391 58.100 0.234 0.000 1.063 309 Y CB 1.901 40.547 38.460 0.310 0.000 1.272 309 Y HN 0.402 nan 8.280 nan 0.000 0.477 310 R N 1.266 121.995 120.500 0.382 0.000 2.445 310 R HA 0.867 5.207 4.340 -0.000 0.000 0.308 310 R C -1.468 175.024 176.300 0.320 0.000 0.961 310 R CA -0.567 55.697 56.100 0.274 0.000 0.862 310 R CB 1.006 31.396 30.300 0.150 0.000 1.144 310 R HN 0.816 nan 8.270 nan 0.000 0.447 311 A N 3.948 126.913 122.820 0.241 0.000 2.331 311 A HA 0.610 4.930 4.320 -0.000 0.000 0.320 311 A C -1.131 176.558 177.584 0.174 0.000 1.138 311 A CA -0.682 51.485 52.037 0.216 0.000 0.790 311 A CB 1.484 20.589 19.000 0.176 0.000 1.206 311 A HN 0.478 nan 8.150 nan 0.000 0.470 312 V N 1.870 121.878 119.914 0.158 0.000 2.495 312 V HA 0.575 4.695 4.120 -0.000 0.000 0.298 312 V C -0.425 175.674 176.094 0.009 0.000 1.031 312 V CA -0.698 61.652 62.300 0.083 0.000 0.871 312 V CB 1.541 33.447 31.823 0.138 0.000 0.988 312 V HN 0.588 nan 8.190 nan 0.000 0.432 313 V N 4.367 124.239 119.914 -0.070 0.000 2.326 313 V HA 0.406 4.526 4.120 -0.000 0.000 0.281 313 V C -0.079 175.977 176.094 -0.063 0.000 1.015 313 V CA -0.531 61.690 62.300 -0.132 0.000 0.823 313 V CB 1.074 32.674 31.823 -0.372 0.000 1.009 313 V HN 1.033 nan 8.190 nan 0.000 0.436 314 E N 4.780 124.985 120.200 0.008 0.000 2.191 314 E HA 0.579 4.929 4.350 -0.000 0.000 0.278 314 E C -0.970 175.727 176.600 0.162 0.000 0.972 314 E CA -1.046 55.399 56.400 0.075 0.000 0.804 314 E CB 2.707 32.446 29.700 0.066 0.000 1.110 314 E HN 0.385 nan 8.360 nan 0.000 0.394 315 L N 5.008 126.312 121.223 0.136 0.000 2.321 315 L HA 0.201 4.541 4.340 -0.000 0.000 0.272 315 L C -0.791 176.174 176.870 0.159 0.000 1.050 315 L CA -0.209 54.702 54.840 0.117 0.000 0.893 315 L CB -0.304 41.782 42.059 0.044 0.000 1.272 315 L HN 0.620 nan 8.230 nan 0.000 0.435 316 H N 0.935 120.034 119.070 0.050 0.000 2.869 316 H HA 0.725 5.281 4.556 -0.000 0.000 0.342 316 H C -0.732 174.648 175.328 0.087 0.000 1.250 316 H CA -0.447 55.637 56.048 0.060 0.000 1.217 316 H CB 0.858 30.651 29.762 0.051 0.000 1.917 316 H HN 0.376 nan 8.280 nan 0.000 0.586 317 T N -3.113 111.531 114.554 0.151 0.000 2.928 317 T HA 0.501 4.851 4.350 -0.000 0.000 0.284 317 T C 1.502 176.309 174.700 0.180 0.000 1.008 317 T CA -0.250 61.949 62.100 0.166 0.000 1.057 317 T CB 1.420 70.435 68.868 0.244 0.000 1.018 317 T HN 0.780 nan 8.240 nan 0.000 0.493 318 A N 1.756 124.669 122.820 0.155 0.000 2.009 318 A HA -0.234 4.086 4.320 -0.000 0.000 0.222 318 A C 1.884 179.552 177.584 0.141 0.000 1.175 318 A CA 2.528 54.645 52.037 0.133 0.000 0.651 318 A CB -1.302 17.774 19.000 0.127 0.000 0.815 318 A HN 1.057 nan 8.150 nan 0.000 0.459 319 D N -3.438 117.036 120.400 0.124 0.000 2.162 319 D HA 0.303 4.943 4.640 -0.000 0.000 0.203 319 D C 1.329 177.686 176.300 0.094 0.000 0.967 319 D CA 1.839 55.889 54.000 0.084 0.000 0.840 319 D CB -0.233 40.589 40.800 0.037 0.000 0.972 319 D HN 0.662 nan 8.370 nan 0.000 0.482 320 G N -1.330 107.552 108.800 0.138 0.000 3.611 320 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.217 320 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.217 320 G C 0.261 175.222 174.900 0.103 0.000 1.023 320 G CA 0.006 45.165 45.100 0.098 0.000 0.887 320 G HN 0.329 nan 8.290 nan 0.000 0.420 321 T N 2.144 116.762 114.554 0.107 0.000 2.891 321 T HA 0.301 4.651 4.350 -0.000 0.000 0.296 321 T C 0.208 174.996 174.700 0.147 0.000 1.025 321 T CA 0.495 62.656 62.100 0.101 0.000 1.149 321 T CB 1.366 70.288 68.868 0.089 0.000 1.007 321 T HN 0.439 nan 8.240 nan 0.000 0.528 322 L N 3.991 125.280 121.223 0.111 0.000 2.282 322 L HA 0.354 4.694 4.340 -0.000 0.000 0.288 322 L C 0.478 177.408 176.870 0.100 0.000 1.033 322 L CA -0.773 54.141 54.840 0.122 0.000 0.807 322 L CB 0.807 42.913 42.059 0.079 0.000 1.209 322 L HN 0.572 nan 8.230 nan 0.000 0.423 323 I N 3.122 123.751 120.570 0.098 0.000 2.585 323 I HA 0.154 4.324 4.170 -0.000 0.000 0.254 323 I C 0.613 176.749 176.117 0.031 0.000 1.129 323 I CA 0.694 62.027 61.300 0.054 0.000 1.455 323 I CB -0.108 37.910 38.000 0.030 0.000 1.111 323 I HN 0.716 nan 8.210 nan 0.000 0.433 324 E N -0.231 119.993 120.200 0.040 0.000 2.411 324 E HA 0.631 4.981 4.350 -0.000 0.000 0.279 324 E C -1.945 174.688 176.600 0.056 0.000 1.132 324 E CA -0.816 55.604 56.400 0.033 0.000 0.876 324 E CB 0.822 30.498 29.700 -0.041 0.000 1.335 324 E HN -0.071 nan 8.360 nan 0.000 0.436 325 A N 1.575 124.456 122.820 0.102 0.000 2.515 325 A HA 0.726 5.046 4.320 -0.000 0.000 0.298 325 A C -1.342 176.385 177.584 0.239 0.000 1.059 325 A CA -0.668 51.450 52.037 0.136 0.000 0.698 325 A CB 2.005 21.095 19.000 0.149 0.000 1.289 325 A HN 0.484 nan 8.150 nan 0.000 0.404 326 E N -0.206 120.078 120.200 0.140 0.000 2.340 326 E HA 0.732 5.082 4.350 -0.000 0.000 0.273 326 E C -0.619 176.086 176.600 0.176 0.000 0.891 326 E CA -0.556 55.975 56.400 0.218 0.000 0.757 326 E CB 2.519 32.204 29.700 -0.025 0.000 1.231 326 E HN 1.065 nan 8.360 nan 0.000 0.439 327 A N 0.531 123.611 122.820 0.432 0.000 2.564 327 A HA 0.886 5.206 4.320 -0.000 0.000 0.288 327 A C -0.958 176.869 177.584 0.405 0.000 1.164 327 A CA -0.434 51.775 52.037 0.286 0.000 0.712 327 A CB 1.367 20.427 19.000 0.100 0.000 1.303 327 A HN 0.898 nan 8.150 nan 0.000 0.418 328 C N -0.490 118.992 119.300 0.303 0.000 3.292 328 C HA 0.718 5.178 4.460 -0.000 0.000 0.338 328 C C -1.875 173.224 174.990 0.182 0.000 1.323 328 C CA -0.913 58.259 59.018 0.258 0.000 1.232 328 C CB 0.931 28.836 27.740 0.275 0.000 1.517 328 C HN 0.871 nan 8.230 nan 0.000 0.470 329 D N 1.325 121.806 120.400 0.135 0.000 2.193 329 D HA 0.588 5.228 4.640 -0.000 0.000 0.249 329 D C -0.495 175.864 176.300 0.098 0.000 1.034 329 D CA -0.094 53.989 54.000 0.137 0.000 0.902 329 D CB 2.207 43.090 40.800 0.138 0.000 1.182 329 D HN 0.552 nan 8.370 nan 0.000 0.436 330 V N 0.281 120.282 119.914 0.145 0.000 2.769 330 V HA 0.707 4.827 4.120 -0.000 0.000 0.312 330 V C 0.441 176.629 176.094 0.157 0.000 1.061 330 V CA -0.754 61.589 62.300 0.072 0.000 0.931 330 V CB 2.136 33.977 31.823 0.030 0.000 1.010 330 V HN 0.735 nan 8.190 nan 0.000 0.433 331 G N 1.625 110.417 108.800 -0.013 0.000 2.590 331 G HA2 0.629 4.589 3.960 -0.000 0.000 0.310 331 G HA3 0.629 4.589 3.960 -0.000 0.000 0.310 331 G C -1.246 173.685 174.900 0.052 0.000 1.347 331 G CA -0.401 44.749 45.100 0.083 0.000 0.963 331 G HN 0.416 nan 8.290 nan 0.000 0.494 332 F N 2.301 122.424 119.950 0.288 0.000 2.499 332 F HA 0.408 4.935 4.527 -0.000 0.000 0.353 332 F C 0.846 176.856 175.800 0.350 0.000 1.196 332 F CA -0.559 57.675 58.000 0.390 0.000 1.244 332 F CB 0.430 39.699 39.000 0.449 0.000 1.577 332 F HN 0.286 nan 8.300 nan 0.000 0.614 333 R N -0.027 120.683 120.500 0.350 0.000 2.750 333 R HA 0.516 4.856 4.340 -0.000 0.000 0.281 333 R C -0.998 175.418 176.300 0.193 0.000 0.972 333 R CA -0.971 55.228 56.100 0.164 0.000 0.912 333 R CB 1.423 31.831 30.300 0.180 0.000 1.187 333 R HN 0.269 nan 8.270 nan 0.000 0.464 334 E N 1.938 122.172 120.200 0.056 0.000 2.102 334 E HA 0.258 4.608 4.350 -0.000 0.000 0.263 334 E C -1.006 175.649 176.600 0.093 0.000 0.894 334 E CA -0.698 55.811 56.400 0.180 0.000 0.746 334 E CB 1.357 31.222 29.700 0.275 0.000 1.129 334 E HN 0.416 nan 8.360 nan 0.000 0.416 335 V N 5.563 125.523 119.914 0.076 0.000 2.368 335 V HA 0.402 4.522 4.120 -0.000 0.000 0.266 335 V C 0.228 176.352 176.094 0.049 0.000 1.045 335 V CA -0.372 61.945 62.300 0.029 0.000 0.899 335 V CB 0.702 32.517 31.823 -0.013 0.000 1.006 335 V HN 0.575 nan 8.190 nan 0.000 0.470 336 R N 4.780 125.310 120.500 0.049 0.000 2.837 336 R HA 0.753 5.093 4.340 -0.000 0.000 0.271 336 R C -1.622 174.700 176.300 0.037 0.000 0.993 336 R CA -0.824 55.308 56.100 0.054 0.000 0.931 336 R CB 2.022 32.369 30.300 0.079 0.000 1.206 336 R HN 0.641 nan 8.270 nan 0.000 0.474 337 I N 2.231 122.823 120.570 0.036 0.000 2.410 337 I HA 0.342 4.512 4.170 -0.000 0.000 0.286 337 I C -0.794 175.340 176.117 0.029 0.000 1.009 337 I CA -0.529 60.786 61.300 0.025 0.000 1.111 337 I CB 1.954 39.969 38.000 0.024 0.000 1.262 337 I HN 0.648 nan 8.210 nan 0.000 0.443 338 E N 5.513 125.727 120.200 0.024 0.000 2.256 338 E HA 0.253 4.603 4.350 -0.000 0.000 0.268 338 E C -0.172 176.438 176.600 0.017 0.000 0.877 338 E CA -0.588 55.827 56.400 0.025 0.000 0.757 338 E CB 1.170 30.890 29.700 0.034 0.000 1.183 338 E HN 0.548 nan 8.360 nan 0.000 0.418 339 N N 3.104 121.813 118.700 0.015 0.000 2.716 339 N HA -0.268 4.472 4.740 -0.000 0.000 0.250 339 N C 0.397 175.910 175.510 0.004 0.000 1.033 339 N CA 1.975 55.031 53.050 0.010 0.000 0.727 339 N CB -1.137 37.356 38.487 0.009 0.000 0.950 339 N HN 0.916 nan 8.380 nan 0.000 0.541 340 G N -2.596 106.205 108.800 0.003 0.000 2.234 340 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.235 340 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.235 340 G C -0.051 174.842 174.900 -0.013 0.000 0.997 340 G CA 0.310 45.407 45.100 -0.004 0.000 0.623 340 G HN 0.435 nan 8.290 nan 0.000 0.514 341 L N 0.421 121.638 121.223 -0.009 0.000 2.334 341 L HA 0.787 5.127 4.340 -0.000 0.000 0.273 341 L C -0.134 176.729 176.870 -0.012 0.000 1.013 341 L CA -1.282 53.548 54.840 -0.017 0.000 0.816 341 L CB 1.834 43.886 42.059 -0.013 0.000 1.278 341 L HN 0.090 nan 8.230 nan 0.000 0.431 342 L N 3.584 124.792 121.223 -0.026 0.000 2.255 342 L HA 0.503 4.843 4.340 -0.000 0.000 0.289 342 L C -0.730 176.125 176.870 -0.025 0.000 1.046 342 L CA 0.209 55.033 54.840 -0.026 0.000 0.816 342 L CB 0.555 42.585 42.059 -0.048 0.000 1.197 342 L HN 0.387 nan 8.230 nan 0.000 0.427 343 L N 5.122 126.343 121.223 -0.002 0.000 2.334 343 L HA 0.618 4.958 4.340 -0.000 0.000 0.270 343 L C -0.775 176.100 176.870 0.009 0.000 1.018 343 L CA -0.779 54.069 54.840 0.014 0.000 0.811 343 L CB 1.825 43.911 42.059 0.046 0.000 1.271 343 L HN 0.536 nan 8.230 nan 0.000 0.443 344 L N 2.190 123.434 121.223 0.035 0.000 2.404 344 L HA 0.485 4.825 4.340 -0.000 0.000 0.272 344 L C -0.702 176.171 176.870 0.005 0.000 0.980 344 L CA -0.276 54.575 54.840 0.018 0.000 0.836 344 L CB 0.988 43.046 42.059 -0.002 0.000 1.238 344 L HN 0.643 nan 8.230 nan 0.000 0.408 345 N N 4.139 122.722 118.700 -0.195 0.000 2.714 345 N HA -0.221 4.519 4.740 -0.000 0.000 0.252 345 N C 0.907 176.180 175.510 -0.395 0.000 1.014 345 N CA 1.361 54.015 53.050 -0.659 0.000 0.735 345 N CB -1.229 36.688 38.487 -0.950 0.000 0.924 345 N HN 1.179 nan 8.380 nan 0.000 0.540 346 G N -1.693 107.117 108.800 0.017 0.000 2.205 346 G HA2 -0.353 3.606 3.960 -0.000 0.000 0.261 346 G HA3 -0.353 3.606 3.960 -0.000 0.000 0.261 346 G C -0.112 174.845 174.900 0.096 0.000 0.980 346 G CA 0.889 46.070 45.100 0.134 0.000 0.632 346 G HN 0.546 nan 8.290 nan 0.000 0.533 347 K N 0.944 121.410 120.400 0.110 0.000 2.259 347 K HA 0.508 4.828 4.320 -0.000 0.000 0.252 347 K C -3.036 173.578 176.600 0.024 0.000 0.936 347 K CA -2.155 54.161 56.287 0.047 0.000 0.810 347 K CB 2.888 35.352 32.500 -0.059 0.000 1.143 347 K HN 0.011 nan 8.250 nan 0.000 0.427 348 P HA 0.107 nan 4.420 nan 0.000 0.269 348 P C -0.087 177.190 177.300 -0.039 0.000 1.252 348 P CA -0.057 63.028 63.100 -0.025 0.000 0.780 348 P CB 0.345 32.028 31.700 -0.029 0.000 0.829 349 L N 3.693 124.893 121.223 -0.038 0.000 2.467 349 L HA 0.184 4.524 4.340 -0.000 0.000 0.270 349 L C 0.716 177.562 176.870 -0.040 0.000 1.205 349 L CA -0.396 54.426 54.840 -0.030 0.000 0.828 349 L CB 0.278 42.291 42.059 -0.077 0.000 1.101 349 L HN 0.271 nan 8.230 nan 0.000 0.479 350 L N 4.370 125.600 121.223 0.011 0.000 2.343 350 L HA 0.458 4.798 4.340 -0.000 0.000 0.278 350 L C -0.465 176.437 176.870 0.054 0.000 0.996 350 L CA -0.148 54.695 54.840 0.005 0.000 0.831 350 L CB 1.247 43.351 42.059 0.075 0.000 1.232 350 L HN 0.257 nan 8.230 nan 0.000 0.413 351 I N 5.720 126.246 120.570 -0.073 0.000 2.307 351 I HA 0.334 4.504 4.170 -0.000 0.000 0.289 351 I C 0.066 176.209 176.117 0.043 0.000 1.021 351 I CA -0.342 60.920 61.300 -0.064 0.000 1.224 351 I CB 0.877 38.710 38.000 -0.279 0.000 1.376 351 I HN 0.570 nan 8.210 nan 0.000 0.470 352 R N 4.878 125.487 120.500 0.181 0.000 2.471 352 R HA 0.578 4.917 4.340 -0.000 0.000 0.292 352 R C 0.320 176.742 176.300 0.203 0.000 1.192 352 R CA -0.306 55.942 56.100 0.247 0.000 1.257 352 R CB 1.190 31.483 30.300 -0.013 0.000 1.130 352 R HN 0.773 nan 8.270 nan 0.000 0.558 353 G N 0.121 109.037 108.800 0.193 0.000 2.798 353 G HA2 0.632 4.592 3.960 -0.000 0.000 0.286 353 G HA3 0.632 4.592 3.960 -0.000 0.000 0.286 353 G C -1.603 173.646 174.900 0.581 0.000 1.389 353 G CA -0.579 44.694 45.100 0.288 0.000 0.894 353 G HN 0.232 nan 8.290 nan 0.000 0.488 354 V N -0.212 120.009 119.914 0.513 0.000 2.971 354 V HA 0.506 4.626 4.120 -0.000 0.000 0.309 354 V C -0.726 175.579 176.094 0.351 0.000 1.130 354 V CA -1.112 61.432 62.300 0.407 0.000 0.964 354 V CB 2.020 33.794 31.823 -0.081 0.000 1.029 354 V HN 0.818 nan 8.190 nan 0.000 0.427 355 N N 3.813 122.676 118.700 0.271 0.000 2.381 355 N HA 0.531 5.271 4.740 -0.000 0.000 0.254 355 N C -0.596 174.826 175.510 -0.147 0.000 1.264 355 N CA -0.401 52.689 53.050 0.068 0.000 0.942 355 N CB 1.021 39.598 38.487 0.151 0.000 1.190 355 N HN 0.679 nan 8.380 nan 0.000 0.495 356 R N 0.770 121.100 120.500 -0.283 0.000 2.764 356 R HA 0.184 4.524 4.340 -0.000 0.000 0.250 356 R C -1.685 174.384 176.300 -0.386 0.000 1.122 356 R CA -0.459 55.474 56.100 -0.279 0.000 1.022 356 R CB 0.578 30.703 30.300 -0.293 0.000 1.266 356 R HN 0.675 nan 8.270 nan 0.000 0.454 357 H N 0.976 119.937 119.070 -0.181 0.000 2.570 357 H HA 0.330 4.885 4.556 -0.000 0.000 0.342 357 H C -0.503 174.820 175.328 -0.009 0.000 1.245 357 H CA -0.455 55.557 56.048 -0.060 0.000 1.318 357 H CB 1.450 31.246 29.762 0.056 0.000 1.694 357 H HN 0.394 nan 8.280 nan 0.000 0.592 358 E N 1.110 121.493 120.200 0.306 0.000 2.167 358 E HA 0.128 4.478 4.350 -0.000 0.000 0.247 358 E C -1.079 175.664 176.600 0.238 0.000 0.961 358 E CA -0.192 56.315 56.400 0.178 0.000 0.797 358 E CB 0.504 30.305 29.700 0.168 0.000 1.182 358 E HN 0.428 nan 8.360 nan 0.000 0.437 359 H N 1.245 120.392 119.070 0.129 0.000 2.717 359 H HA 0.314 4.870 4.556 -0.000 0.000 0.366 359 H C -1.497 173.924 175.328 0.154 0.000 1.132 359 H CA -0.639 55.482 56.048 0.121 0.000 1.180 359 H CB 1.402 31.221 29.762 0.095 0.000 1.678 359 H HN 0.342 nan 8.280 nan 0.000 0.537 360 H N 5.749 124.428 119.070 -0.652 0.000 2.877 360 H HA 0.173 4.729 4.556 -0.000 0.000 0.347 360 H C -2.338 172.649 175.328 -0.567 0.000 1.042 360 H CA -2.244 53.586 56.048 -0.364 0.000 1.276 360 H CB 2.620 32.325 29.762 -0.096 0.000 1.681 360 H HN 0.546 nan 8.280 nan 0.000 0.521 361 P HA -0.134 nan 4.420 nan 0.000 0.216 361 P C 1.433 178.608 177.300 -0.209 0.000 1.153 361 P CA 0.999 63.937 63.100 -0.270 0.000 0.858 361 P CB 0.789 32.337 31.700 -0.254 0.000 0.789 362 L N -2.057 119.111 121.223 -0.092 0.000 2.200 362 L HA 0.024 4.364 4.340 -0.000 0.000 0.200 362 L C 2.554 179.329 176.870 -0.158 0.000 1.072 362 L CA 0.987 55.751 54.840 -0.126 0.000 0.787 362 L CB -0.875 41.002 42.059 -0.305 0.000 0.957 362 L HN -0.001 nan 8.230 nan 0.000 0.459 363 H N -0.503 118.760 119.070 0.322 0.000 2.548 363 H HA 0.173 4.729 4.556 -0.000 0.000 0.268 363 H C 1.444 176.691 175.328 -0.135 0.000 0.975 363 H CA 0.334 56.311 56.048 -0.117 0.000 1.195 363 H CB 0.131 29.607 29.762 -0.476 0.000 1.397 363 H HN 0.418 nan 8.280 nan 0.000 0.572 364 G N 1.024 109.757 108.800 -0.111 0.000 2.531 364 G HA2 -0.424 3.536 3.960 -0.000 0.000 0.274 364 G HA3 -0.424 3.536 3.960 -0.000 0.000 0.274 364 G C 0.757 175.545 174.900 -0.187 0.000 1.159 364 G CA 0.462 45.416 45.100 -0.243 0.000 0.969 364 G HN 0.408 nan 8.290 nan 0.000 0.554 365 Q N -0.191 119.505 119.800 -0.173 0.000 2.435 365 Q HA 0.362 4.702 4.340 -0.000 0.000 0.207 365 Q C 1.428 177.400 176.000 -0.047 0.000 0.956 365 Q CA 0.528 56.236 55.803 -0.158 0.000 0.917 365 Q CB 0.167 28.685 28.738 -0.367 0.000 0.997 365 Q HN 0.510 nan 8.270 nan 0.000 0.497 366 V N 1.571 121.477 119.914 -0.013 0.000 2.843 366 V HA -0.009 4.111 4.120 -0.000 0.000 0.305 366 V C 0.379 176.464 176.094 -0.015 0.000 1.065 366 V CA 0.430 62.752 62.300 0.036 0.000 1.116 366 V CB 0.738 32.539 31.823 -0.037 0.000 0.968 366 V HN 0.305 nan 8.190 nan 0.000 0.487 367 M N 3.255 122.832 119.600 -0.038 0.000 2.761 367 M HA 0.599 5.079 4.480 -0.000 0.000 0.305 367 M C -0.907 175.277 176.300 -0.194 0.000 1.235 367 M CA -0.724 54.515 55.300 -0.101 0.000 0.850 367 M CB 1.946 34.480 32.600 -0.109 0.000 1.744 367 M HN 0.986 nan 8.290 nan 0.000 0.480 368 D N -2.244 118.069 120.400 -0.144 0.000 2.599 368 D HA 0.233 4.873 4.640 -0.000 0.000 0.252 368 D C 0.106 176.391 176.300 -0.026 0.000 1.232 368 D CA -0.669 53.261 54.000 -0.116 0.000 0.819 368 D CB 1.366 42.114 40.800 -0.088 0.000 1.401 368 D HN 0.657 nan 8.370 nan 0.000 0.429 369 E N -0.259 119.944 120.200 0.006 0.000 2.070 369 E HA -0.312 4.038 4.350 -0.000 0.000 0.197 369 E C 1.528 178.190 176.600 0.103 0.000 1.004 369 E CA 1.710 58.152 56.400 0.071 0.000 0.805 369 E CB 0.096 29.845 29.700 0.082 0.000 0.744 369 E HN 0.527 nan 8.360 nan 0.000 0.451 370 Q N -0.482 119.373 119.800 0.091 0.000 2.045 370 Q HA -0.184 4.156 4.340 -0.000 0.000 0.206 370 Q C 2.347 178.431 176.000 0.141 0.000 0.991 370 Q CA 2.218 58.088 55.803 0.113 0.000 0.851 370 Q CB -0.278 28.523 28.738 0.105 0.000 0.911 370 Q HN 0.346 nan 8.270 nan 0.000 0.418 371 T N 1.384 116.030 114.554 0.154 0.000 2.684 371 T HA -0.174 4.176 4.350 -0.000 0.000 0.267 371 T C 1.944 176.776 174.700 0.219 0.000 1.036 371 T CA 1.586 63.804 62.100 0.197 0.000 1.148 371 T CB -0.219 68.786 68.868 0.229 0.000 0.863 371 T HN 0.245 nan 8.240 nan 0.000 0.436 372 M N 1.021 120.758 119.600 0.229 0.000 2.084 372 M HA -0.120 4.360 4.480 -0.000 0.000 0.259 372 M C 2.532 178.992 176.300 0.266 0.000 1.072 372 M CA 1.551 57.067 55.300 0.360 0.000 1.107 372 M CB -1.205 31.654 32.600 0.430 0.000 1.299 372 M HN 0.085 nan 8.290 nan 0.000 0.413 373 V N 0.287 120.315 119.914 0.188 0.000 2.317 373 V HA -0.339 3.781 4.120 -0.000 0.000 0.251 373 V C 2.367 178.497 176.094 0.060 0.000 1.065 373 V CA 2.302 64.669 62.300 0.112 0.000 1.049 373 V CB -1.312 30.598 31.823 0.146 0.000 0.651 373 V HN 0.551 nan 8.190 nan 0.000 0.450 374 Q N 0.030 119.909 119.800 0.131 0.000 1.956 374 Q HA -0.295 4.045 4.340 -0.000 0.000 0.208 374 Q C 2.215 178.324 176.000 0.180 0.000 0.998 374 Q CA 2.393 58.283 55.803 0.146 0.000 0.855 374 Q CB -0.278 28.567 28.738 0.177 0.000 0.928 374 Q HN 0.650 nan 8.270 nan 0.000 0.418 375 D N 0.115 120.669 120.400 0.258 0.000 2.133 375 D HA -0.212 4.428 4.640 -0.000 0.000 0.192 375 D C 1.886 178.195 176.300 0.015 0.000 1.001 375 D CA 1.304 55.478 54.000 0.290 0.000 0.844 375 D CB -0.314 40.668 40.800 0.305 0.000 0.944 375 D HN 0.312 nan 8.370 nan 0.000 0.447 376 I N 0.569 121.127 120.570 -0.020 0.000 2.226 376 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 376 I C 2.464 178.484 176.117 -0.162 0.000 1.100 376 I CA 0.735 61.929 61.300 -0.175 0.000 1.374 376 I CB -0.076 37.764 38.000 -0.267 0.000 1.057 376 I HN 0.003 nan 8.210 nan 0.000 0.413 377 L N -0.459 120.698 121.223 -0.109 0.000 2.046 377 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 377 L C 2.527 179.479 176.870 0.137 0.000 1.077 377 L CA 1.307 56.140 54.840 -0.012 0.000 0.747 377 L CB -0.758 41.288 42.059 -0.022 0.000 0.896 377 L HN 0.278 nan 8.230 nan 0.000 0.432 378 L N -0.621 120.721 121.223 0.198 0.000 1.970 378 L HA -0.284 4.056 4.340 -0.000 0.000 0.212 378 L C 2.811 179.893 176.870 0.353 0.000 1.071 378 L CA 1.671 56.714 54.840 0.338 0.000 0.751 378 L CB -0.408 41.974 42.059 0.538 0.000 0.889 378 L HN 0.310 nan 8.230 nan 0.000 0.432 379 M N -0.659 119.022 119.600 0.135 0.000 2.073 379 M HA -0.261 4.219 4.480 -0.000 0.000 0.258 379 M C 2.339 178.732 176.300 0.154 0.000 1.070 379 M CA 1.855 57.130 55.300 -0.041 0.000 1.103 379 M CB -0.474 31.842 32.600 -0.473 0.000 1.321 379 M HN 0.166 nan 8.290 nan 0.000 0.405 380 K N 0.063 120.475 120.400 0.020 0.000 2.002 380 K HA -0.194 4.126 4.320 -0.000 0.000 0.209 380 K C 2.020 178.694 176.600 0.124 0.000 1.048 380 K CA 1.540 57.758 56.287 -0.113 0.000 0.930 380 K CB -0.416 31.819 32.500 -0.440 0.000 0.714 380 K HN 0.407 nan 8.250 nan 0.000 0.438 381 Q N 0.890 120.922 119.800 0.386 0.000 2.133 381 Q HA -0.142 4.198 4.340 -0.000 0.000 0.208 381 Q C 1.270 177.588 176.000 0.530 0.000 0.991 381 Q CA 1.389 57.507 55.803 0.524 0.000 0.867 381 Q CB -0.062 28.930 28.738 0.422 0.000 0.911 381 Q HN 0.276 nan 8.270 nan 0.000 0.417 382 N N 0.687 119.652 118.700 0.442 0.000 2.471 382 N HA -0.036 4.704 4.740 -0.000 0.000 0.205 382 N C -0.579 175.073 175.510 0.236 0.000 1.251 382 N CA 0.252 53.548 53.050 0.410 0.000 0.843 382 N CB 0.199 39.007 38.487 0.535 0.000 1.044 382 N HN 0.254 nan 8.380 nan 0.000 0.461 383 N N -0.570 118.250 118.700 0.201 0.000 2.829 383 N HA -0.190 4.550 4.740 -0.000 0.000 0.250 383 N C -1.042 174.384 175.510 -0.141 0.000 1.090 383 N CA 0.731 53.768 53.050 -0.023 0.000 0.781 383 N CB -1.870 36.421 38.487 -0.326 0.000 1.124 383 N HN 0.229 nan 8.380 nan 0.000 0.559 384 F N 0.671 120.640 119.950 0.030 0.000 2.410 384 F HA 0.333 4.860 4.527 -0.000 0.000 0.349 384 F C 1.702 177.485 175.800 -0.027 0.000 1.117 384 F CA -0.594 57.416 58.000 0.015 0.000 1.104 384 F CB 0.929 39.923 39.000 -0.010 0.000 1.122 384 F HN -0.056 nan 8.300 nan 0.000 0.483 385 N N 1.550 120.354 118.700 0.173 0.000 2.368 385 N HA 0.246 4.986 4.740 -0.000 0.000 0.178 385 N C -0.131 175.354 175.510 -0.043 0.000 1.021 385 N CA 0.351 53.392 53.050 -0.015 0.000 0.875 385 N CB 0.256 38.781 38.487 0.064 0.000 1.020 385 N HN 0.542 nan 8.380 nan 0.000 0.433 386 A N 0.136 123.031 122.820 0.125 0.000 2.479 386 A HA 0.740 5.060 4.320 -0.000 0.000 0.296 386 A C -1.474 176.274 177.584 0.272 0.000 1.121 386 A CA -0.547 51.612 52.037 0.202 0.000 0.743 386 A CB 1.736 20.894 19.000 0.263 0.000 1.323 386 A HN -0.066 nan 8.150 nan 0.000 0.415 387 V N 0.427 120.568 119.914 0.379 0.000 2.841 387 V HA 0.814 4.934 4.120 -0.000 0.000 0.310 387 V C -0.799 175.529 176.094 0.389 0.000 1.090 387 V CA -0.747 61.766 62.300 0.355 0.000 0.930 387 V CB 1.920 33.886 31.823 0.237 0.000 1.014 387 V HN 1.121 nan 8.190 nan 0.000 0.425 388 R N 5.198 125.818 120.500 0.199 0.000 2.360 388 R HA 0.456 4.796 4.340 -0.000 0.000 0.318 388 R C -0.480 175.749 176.300 -0.119 0.000 0.950 388 R CA -0.372 55.666 56.100 -0.103 0.000 0.837 388 R CB 0.793 30.779 30.300 -0.524 0.000 1.165 388 R HN 0.834 nan 8.270 nan 0.000 0.458 389 C N 4.344 123.587 119.300 -0.095 0.000 3.946 389 C HA 0.032 4.492 4.460 -0.000 0.000 0.538 389 C C 0.558 175.346 174.990 -0.338 0.000 1.047 389 C CA -0.316 58.576 59.018 -0.209 0.000 1.063 389 C CB -2.660 25.023 27.740 -0.095 0.000 1.372 389 C HN 0.755 nan 8.230 nan 0.000 0.632 390 S N 1.022 116.482 115.700 -0.400 0.000 2.506 390 S HA 0.081 4.551 4.470 -0.000 0.000 0.291 390 S C -0.047 173.822 174.600 -1.218 0.000 1.230 390 S CA 0.255 58.119 58.200 -0.561 0.000 1.107 390 S CB 0.061 62.881 63.200 -0.633 0.000 0.942 390 S HN 0.718 nan 8.310 nan 0.000 0.502 391 H N 3.238 121.713 119.070 -0.992 0.000 2.616 391 H HA 0.329 4.885 4.556 -0.000 0.000 0.229 391 H C -1.040 174.153 175.328 -0.225 0.000 1.418 391 H CA -0.550 55.274 56.048 -0.373 0.000 1.248 391 H CB -0.287 29.456 29.762 -0.031 0.000 1.822 391 H HN 0.869 nan 8.280 nan 0.000 0.522 392 Y N -2.979 117.426 120.300 0.176 0.000 2.732 392 Y HA 0.478 5.028 4.550 -0.000 0.000 0.342 392 Y C -3.290 172.715 175.900 0.175 0.000 1.203 392 Y CA -3.199 55.007 58.100 0.176 0.000 1.092 392 Y CB 0.097 38.662 38.460 0.175 0.000 1.345 392 Y HN -0.131 nan 8.280 nan 0.000 0.458 393 P HA 0.187 nan 4.420 nan 0.000 0.269 393 P C -0.807 176.784 177.300 0.484 0.000 1.209 393 P CA 0.172 63.522 63.100 0.415 0.000 0.776 393 P CB 0.648 32.524 31.700 0.295 0.000 0.876 394 N N -0.108 118.893 118.700 0.503 0.000 2.530 394 N HA 0.137 4.877 4.740 -0.000 0.000 0.283 394 N C -0.018 175.765 175.510 0.454 0.000 1.238 394 N CA -0.725 52.541 53.050 0.359 0.000 0.971 394 N CB 0.410 38.885 38.487 -0.020 0.000 1.195 394 N HN 0.584 nan 8.380 nan 0.000 0.583 395 H N 2.037 121.255 119.070 0.247 0.000 3.125 395 H HA -0.012 4.544 4.556 -0.000 0.000 0.310 395 H C -1.597 173.942 175.328 0.351 0.000 0.980 395 H CA -0.701 55.489 56.048 0.237 0.000 1.422 395 H CB 0.972 30.839 29.762 0.174 0.000 1.432 395 H HN 0.422 nan 8.280 nan 0.000 0.577 396 P HA -0.247 nan 4.420 nan 0.000 0.218 396 P C 1.843 179.350 177.300 0.345 0.000 1.154 396 P CA 0.765 63.989 63.100 0.207 0.000 0.872 396 P CB 0.175 31.836 31.700 -0.065 0.000 0.790 397 L N -0.854 120.635 121.223 0.444 0.000 2.042 397 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 397 L C 2.394 179.464 176.870 0.333 0.000 1.076 397 L CA 1.618 56.727 54.840 0.448 0.000 0.749 397 L CB -1.646 40.717 42.059 0.506 0.000 0.893 397 L HN 0.074 nan 8.230 nan 0.000 0.432 398 W N -0.183 121.220 121.300 0.171 0.000 2.290 398 W HA -0.403 4.257 4.660 -0.000 0.000 0.328 398 W C 2.381 178.796 176.519 -0.174 0.000 1.272 398 W CA 2.539 59.836 57.345 -0.080 0.000 1.262 398 W CB -0.766 28.519 29.460 -0.292 0.000 1.151 398 W HN 0.291 nan 8.180 nan 0.000 0.473 399 Y N 0.654 120.906 120.300 -0.080 0.000 2.193 399 Y HA -0.261 4.289 4.550 -0.000 0.000 0.285 399 Y C 2.836 178.463 175.900 -0.456 0.000 1.166 399 Y CA 2.301 60.140 58.100 -0.435 0.000 1.181 399 Y CB -1.335 36.659 38.460 -0.776 0.000 0.976 399 Y HN -0.151 nan 8.280 nan 0.000 0.520 400 T N 0.438 114.944 114.554 -0.080 0.000 2.821 400 T HA -0.105 4.245 4.350 -0.000 0.000 0.267 400 T C 1.952 176.619 174.700 -0.055 0.000 1.046 400 T CA 1.249 63.366 62.100 0.028 0.000 1.139 400 T CB -0.470 68.478 68.868 0.134 0.000 0.871 400 T HN 0.222 nan 8.240 nan 0.000 0.454 401 L N 0.891 122.041 121.223 -0.121 0.000 2.005 401 L HA -0.100 4.240 4.340 -0.000 0.000 0.207 401 L C 2.972 179.713 176.870 -0.216 0.000 1.072 401 L CA 1.098 55.842 54.840 -0.160 0.000 0.744 401 L CB -1.050 40.949 42.059 -0.101 0.000 0.895 401 L HN 0.376 nan 8.230 nan 0.000 0.433 402 C N -0.479 118.567 119.300 -0.422 0.000 2.413 402 C HA -0.146 4.314 4.460 -0.000 0.000 0.277 402 C C 2.348 177.354 174.990 0.025 0.000 1.265 402 C CA -0.018 58.847 59.018 -0.254 0.000 1.752 402 C CB -1.040 26.506 27.740 -0.323 0.000 1.998 402 C HN 0.522 nan 8.230 nan 0.000 0.489 403 D N 0.731 121.146 120.400 0.025 0.000 2.116 403 D HA -0.137 4.503 4.640 -0.000 0.000 0.193 403 D C 2.419 178.893 176.300 0.290 0.000 0.998 403 D CA 1.417 55.513 54.000 0.160 0.000 0.836 403 D CB -0.366 40.487 40.800 0.089 0.000 0.951 403 D HN 0.547 nan 8.370 nan 0.000 0.449 404 R N -1.091 119.446 120.500 0.061 0.000 2.062 404 R HA -0.062 4.278 4.340 -0.000 0.000 0.226 404 R C 2.359 178.577 176.300 -0.136 0.000 1.125 404 R CA 0.792 56.850 56.100 -0.071 0.000 0.966 404 R CB -0.172 29.970 30.300 -0.263 0.000 0.861 404 R HN 0.243 nan 8.270 nan 0.000 0.433 405 Y N -0.973 119.325 120.300 -0.003 0.000 2.243 405 Y HA 0.168 4.718 4.550 -0.000 0.000 0.293 405 Y C 1.300 177.098 175.900 -0.170 0.000 1.124 405 Y CA 1.152 59.212 58.100 -0.068 0.000 1.159 405 Y CB 0.297 38.696 38.460 -0.102 0.000 1.008 405 Y HN 0.282 nan 8.280 nan 0.000 0.527 406 G N 0.055 108.842 108.800 -0.021 0.000 2.511 406 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.205 406 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.205 406 G C -1.040 173.688 174.900 -0.287 0.000 1.098 406 G CA -0.686 44.256 45.100 -0.263 0.000 0.812 406 G HN 0.114 nan 8.290 nan 0.000 0.497 407 L N 0.769 121.930 121.223 -0.104 0.000 2.381 407 L HA 0.495 4.835 4.340 -0.000 0.000 0.274 407 L C -0.232 176.692 176.870 0.090 0.000 0.988 407 L CA -1.449 53.314 54.840 -0.129 0.000 0.824 407 L CB 1.539 43.536 42.059 -0.102 0.000 1.263 407 L HN 0.176 nan 8.230 nan 0.000 0.410 408 Y N 2.938 123.351 120.300 0.188 0.000 2.605 408 Y HA 0.161 4.711 4.550 -0.000 0.000 0.336 408 Y C 0.407 176.431 175.900 0.206 0.000 1.111 408 Y CA -0.395 57.843 58.100 0.230 0.000 1.422 408 Y CB 0.318 38.886 38.460 0.181 0.000 1.193 408 Y HN 0.130 nan 8.280 nan 0.000 0.526 409 V N 4.410 124.526 119.914 0.337 0.000 2.547 409 V HA 0.414 4.534 4.120 -0.000 0.000 0.299 409 V C -0.262 175.949 176.094 0.194 0.000 1.040 409 V CA -1.059 61.396 62.300 0.258 0.000 0.913 409 V CB 2.031 33.979 31.823 0.210 0.000 0.992 409 V HN 0.394 nan 8.190 nan 0.000 0.449 410 V N 3.031 123.051 119.914 0.177 0.000 2.275 410 V HA 0.278 4.398 4.120 -0.000 0.000 0.272 410 V C -0.210 175.940 176.094 0.094 0.000 1.028 410 V CA -0.467 61.880 62.300 0.080 0.000 0.810 410 V CB 1.157 32.964 31.823 -0.027 0.000 1.043 410 V HN 0.877 nan 8.190 nan 0.000 0.453 411 D N 3.930 124.395 120.400 0.107 0.000 2.390 411 D HA 0.214 4.854 4.640 -0.000 0.000 0.249 411 D C -0.071 176.391 176.300 0.269 0.000 1.144 411 D CA 0.389 54.538 54.000 0.249 0.000 0.880 411 D CB 1.087 42.054 40.800 0.278 0.000 1.182 411 D HN 0.654 nan 8.370 nan 0.000 0.451 412 E N 1.363 121.704 120.200 0.235 0.000 2.256 412 E HA 0.575 4.925 4.350 -0.000 0.000 0.268 412 E C -1.142 175.584 176.600 0.210 0.000 0.877 412 E CA -1.020 55.499 56.400 0.200 0.000 0.757 412 E CB 1.415 31.184 29.700 0.115 0.000 1.183 412 E HN 0.459 nan 8.360 nan 0.000 0.418 413 A N 3.687 126.626 122.820 0.198 0.000 2.445 413 A HA 0.077 4.397 4.320 -0.000 0.000 0.242 413 A C 0.408 178.108 177.584 0.194 0.000 1.075 413 A CA -0.266 51.874 52.037 0.172 0.000 0.777 413 A CB 0.231 19.299 19.000 0.114 0.000 1.013 413 A HN 0.660 nan 8.150 nan 0.000 0.493 414 N N 1.511 120.335 118.700 0.207 0.000 3.103 414 N HA 0.192 4.932 4.740 -0.000 0.000 0.305 414 N C -0.967 174.661 175.510 0.197 0.000 1.232 414 N CA 0.236 53.435 53.050 0.248 0.000 1.190 414 N CB -0.837 37.800 38.487 0.250 0.000 1.461 414 N HN 0.501 nan 8.380 nan 0.000 0.538 415 I N 0.644 121.322 120.570 0.180 0.000 2.512 415 I HA 0.302 4.472 4.170 -0.000 0.000 0.287 415 I C -0.487 175.721 176.117 0.152 0.000 1.069 415 I CA -0.678 60.713 61.300 0.151 0.000 1.056 415 I CB 1.995 40.057 38.000 0.103 0.000 1.229 415 I HN 0.151 nan 8.210 nan 0.000 0.429 416 E N 4.156 124.448 120.200 0.152 0.000 2.307 416 E HA 0.318 4.668 4.350 -0.000 0.000 0.280 416 E C -0.645 176.023 176.600 0.114 0.000 0.900 416 E CA -0.454 56.014 56.400 0.114 0.000 0.790 416 E CB 1.751 31.518 29.700 0.113 0.000 1.261 416 E HN 0.660 nan 8.360 nan 0.000 0.405 417 T N 0.615 115.217 114.554 0.080 0.000 3.293 417 T HA 0.162 4.512 4.350 -0.000 0.000 0.276 417 T C 0.966 175.684 174.700 0.031 0.000 1.003 417 T CA -0.233 61.934 62.100 0.111 0.000 0.916 417 T CB -0.296 68.612 68.868 0.067 0.000 1.134 417 T HN 0.651 nan 8.240 nan 0.000 0.530 418 H N 1.552 120.533 119.070 -0.148 0.000 2.325 418 H HA -0.127 4.429 4.556 -0.000 0.000 0.293 418 H C 2.376 177.536 175.328 -0.281 0.000 1.106 418 H CA 1.705 57.617 56.048 -0.227 0.000 1.247 418 H CB -0.289 29.310 29.762 -0.272 0.000 1.359 418 H HN 0.577 nan 8.280 nan 0.000 0.488 419 G N 0.115 108.705 108.800 -0.350 0.000 2.708 419 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.210 419 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.210 419 G C 0.443 175.376 174.900 0.055 0.000 1.141 419 G CA 0.023 44.930 45.100 -0.321 0.000 0.788 419 G HN 0.180 nan 8.290 nan 0.000 0.531 420 M N 0.357 120.040 119.600 0.139 0.000 2.228 420 M HA 0.335 4.815 4.480 -0.000 0.000 0.326 420 M C -0.538 175.787 176.300 0.040 0.000 1.122 420 M CA -0.171 55.213 55.300 0.140 0.000 1.161 420 M CB 1.594 34.252 32.600 0.096 0.000 1.437 420 M HN -0.215 nan 8.290 nan 0.000 0.465 421 V N 3.284 123.210 119.914 0.021 0.000 2.443 421 V HA 0.340 4.460 4.120 -0.000 0.000 0.293 421 V C -1.944 174.140 176.094 -0.018 0.000 1.021 421 V CA -1.343 60.953 62.300 -0.007 0.000 0.848 421 V CB 1.487 33.305 31.823 -0.009 0.000 0.998 421 V HN 0.729 nan 8.190 nan 0.000 0.424 422 P HA 0.246 nan 4.420 nan 0.000 0.282 422 P C 1.074 178.358 177.300 -0.027 0.000 1.286 422 P CA -0.441 62.643 63.100 -0.027 0.000 0.777 422 P CB 0.769 32.454 31.700 -0.025 0.000 1.184 423 M N -0.398 119.181 119.600 -0.035 0.000 2.296 423 M HA -0.126 4.354 4.480 -0.000 0.000 0.265 423 M C 1.779 178.069 176.300 -0.017 0.000 1.064 423 M CA 1.377 56.654 55.300 -0.038 0.000 1.109 423 M CB -0.611 31.939 32.600 -0.083 0.000 1.396 423 M HN 0.382 nan 8.290 nan 0.000 0.430 424 N N -0.035 118.660 118.700 -0.009 0.000 2.381 424 N HA -0.187 4.553 4.740 -0.000 0.000 0.182 424 N C 1.631 177.112 175.510 -0.048 0.000 1.025 424 N CA 0.324 53.373 53.050 -0.003 0.000 0.888 424 N CB 0.132 38.614 38.487 -0.008 0.000 0.965 424 N HN 0.291 nan 8.380 nan 0.000 0.438 425 R N 0.905 121.365 120.500 -0.067 0.000 2.222 425 R HA -0.220 4.120 4.340 -0.000 0.000 0.235 425 R C 2.000 178.181 176.300 -0.197 0.000 1.112 425 R CA 1.934 57.967 56.100 -0.111 0.000 0.897 425 R CB -0.399 29.842 30.300 -0.098 0.000 0.882 425 R HN 0.229 nan 8.270 nan 0.000 0.429 426 L N -0.448 120.581 121.223 -0.322 0.000 2.095 426 L HA -0.046 4.294 4.340 -0.000 0.000 0.204 426 L C 2.580 179.279 176.870 -0.284 0.000 1.080 426 L CA 1.535 56.044 54.840 -0.552 0.000 0.759 426 L CB -0.888 40.538 42.059 -1.054 0.000 0.914 426 L HN 0.505 nan 8.230 nan 0.000 0.439 427 T N -4.219 110.221 114.554 -0.190 0.000 3.077 427 T HA -0.171 4.179 4.350 -0.000 0.000 0.269 427 T C 1.154 175.769 174.700 -0.140 0.000 1.146 427 T CA 1.277 63.271 62.100 -0.177 0.000 1.091 427 T CB -0.266 68.476 68.868 -0.211 0.000 0.892 427 T HN 0.158 nan 8.240 nan 0.000 0.533 428 D N 0.755 121.100 120.400 -0.093 0.000 2.398 428 D HA 0.128 4.768 4.640 -0.000 0.000 0.210 428 D C -0.338 175.939 176.300 -0.039 0.000 1.094 428 D CA -0.271 53.685 54.000 -0.073 0.000 0.839 428 D CB 0.101 40.864 40.800 -0.060 0.000 0.963 428 D HN 0.331 nan 8.370 nan 0.000 0.506 429 D N -0.183 120.209 120.400 -0.013 0.000 2.280 429 D HA 0.148 4.788 4.640 -0.000 0.000 0.236 429 D C -1.702 174.653 176.300 0.091 0.000 1.082 429 D CA -2.275 51.756 54.000 0.052 0.000 0.834 429 D CB 2.107 42.969 40.800 0.103 0.000 1.100 429 D HN -0.106 nan 8.370 nan 0.000 0.486 430 P HA -0.152 nan 4.420 nan 0.000 0.217 430 P C 0.802 178.106 177.300 0.006 0.000 1.148 430 P CA 1.101 64.208 63.100 0.012 0.000 0.828 430 P CB 0.223 31.918 31.700 -0.009 0.000 0.783 431 R N -2.417 118.095 120.500 0.020 0.000 2.328 431 R HA -0.066 4.274 4.340 -0.000 0.000 0.207 431 R C 1.368 177.520 176.300 -0.245 0.000 1.056 431 R CA 0.917 56.948 56.100 -0.115 0.000 1.016 431 R CB -0.739 29.459 30.300 -0.170 0.000 0.872 431 R HN 0.341 nan 8.270 nan 0.000 0.471 432 W N -0.986 120.251 121.300 -0.104 0.000 3.127 432 W HA 0.212 4.872 4.660 -0.000 0.000 0.344 432 W C 1.271 177.723 176.519 -0.111 0.000 1.151 432 W CA -0.583 56.698 57.345 -0.107 0.000 1.765 432 W CB 0.082 29.476 29.460 -0.110 0.000 1.085 432 W HN -0.008 nan 8.180 nan 0.000 0.596 433 L N 2.528 123.773 121.223 0.037 0.000 1.970 433 L HA -0.086 4.254 4.340 -0.000 0.000 0.212 433 L C -0.562 176.266 176.870 -0.070 0.000 1.071 433 L CA 2.301 57.121 54.840 -0.033 0.000 0.751 433 L CB -2.015 40.015 42.059 -0.048 0.000 0.889 433 L HN -0.191 nan 8.230 nan 0.000 0.432 434 P HA -0.226 nan 4.420 nan 0.000 0.211 434 P C 1.699 178.939 177.300 -0.099 0.000 1.181 434 P CA 2.588 65.622 63.100 -0.110 0.000 0.929 434 P CB -0.369 31.255 31.700 -0.126 0.000 0.789 435 A N -0.841 121.924 122.820 -0.093 0.000 1.915 435 A HA -0.298 4.022 4.320 -0.000 0.000 0.220 435 A C 2.309 179.898 177.584 0.010 0.000 1.198 435 A CA 2.930 54.944 52.037 -0.037 0.000 0.647 435 A CB -1.638 17.333 19.000 -0.048 0.000 0.825 435 A HN 0.154 nan 8.150 nan 0.000 0.456 436 M N -0.772 118.836 119.600 0.015 0.000 2.123 436 M HA -0.119 4.361 4.480 -0.000 0.000 0.263 436 M C 2.609 178.850 176.300 -0.098 0.000 1.069 436 M CA 1.621 56.908 55.300 -0.022 0.000 1.133 436 M CB -0.552 32.016 32.600 -0.054 0.000 1.356 436 M HN 0.684 nan 8.290 nan 0.000 0.415 437 S N 0.921 116.536 115.700 -0.142 0.000 2.381 437 S HA -0.243 4.227 4.470 -0.000 0.000 0.230 437 S C 1.637 176.075 174.600 -0.271 0.000 1.052 437 S CA 1.921 59.975 58.200 -0.243 0.000 1.068 437 S CB -0.502 62.545 63.200 -0.255 0.000 0.918 437 S HN 0.514 nan 8.310 nan 0.000 0.448 438 E N 0.500 120.589 120.200 -0.185 0.000 2.160 438 E HA -0.150 4.200 4.350 -0.000 0.000 0.195 438 E C 2.436 178.957 176.600 -0.131 0.000 0.991 438 E CA 1.189 57.492 56.400 -0.160 0.000 0.810 438 E CB -0.154 29.484 29.700 -0.103 0.000 0.742 438 E HN 0.616 nan 8.360 nan 0.000 0.466 439 R N 0.037 120.485 120.500 -0.087 0.000 2.115 439 R HA -0.052 4.288 4.340 -0.000 0.000 0.226 439 R C 2.323 178.583 176.300 -0.066 0.000 1.100 439 R CA 0.688 56.765 56.100 -0.038 0.000 0.980 439 R CB 0.033 30.346 30.300 0.021 0.000 0.875 439 R HN 0.008 nan 8.270 nan 0.000 0.445 440 V N 0.297 120.128 119.914 -0.139 0.000 2.446 440 V HA -0.171 3.949 4.120 -0.000 0.000 0.244 440 V C 2.488 178.415 176.094 -0.279 0.000 1.039 440 V CA 2.042 64.241 62.300 -0.169 0.000 1.045 440 V CB -0.445 31.270 31.823 -0.180 0.000 0.681 440 V HN 0.509 nan 8.190 nan 0.000 0.459 441 T N -0.057 114.232 114.554 -0.442 0.000 2.674 441 T HA -0.240 4.110 4.350 -0.000 0.000 0.265 441 T C 1.974 176.522 174.700 -0.254 0.000 1.039 441 T CA 1.447 63.220 62.100 -0.544 0.000 1.150 441 T CB -0.473 67.858 68.868 -0.894 0.000 0.864 441 T HN 0.427 nan 8.240 nan 0.000 0.427 442 R N 0.618 121.002 120.500 -0.194 0.000 2.127 442 R HA 0.019 4.359 4.340 -0.000 0.000 0.238 442 R C 2.702 178.929 176.300 -0.121 0.000 1.134 442 R CA 1.708 57.727 56.100 -0.136 0.000 0.975 442 R CB -0.640 29.591 30.300 -0.114 0.000 0.865 442 R HN 0.505 nan 8.270 nan 0.000 0.447 443 M N 0.854 120.393 119.600 -0.101 0.000 2.067 443 M HA -0.161 4.319 4.480 -0.000 0.000 0.260 443 M C 2.029 178.276 176.300 -0.090 0.000 1.069 443 M CA 1.755 57.024 55.300 -0.053 0.000 1.117 443 M CB -0.019 32.590 32.600 0.015 0.000 1.334 443 M HN -0.010 nan 8.290 nan 0.000 0.407 444 V N 0.759 120.523 119.914 -0.250 0.000 2.287 444 V HA -0.312 3.808 4.120 -0.000 0.000 0.248 444 V C 2.317 178.298 176.094 -0.188 0.000 1.053 444 V CA 2.195 64.221 62.300 -0.458 0.000 1.027 444 V CB -0.989 30.512 31.823 -0.537 0.000 0.646 444 V HN 0.605 nan 8.190 nan 0.000 0.447 445 Q N -0.924 118.797 119.800 -0.132 0.000 2.226 445 Q HA -0.203 4.137 4.340 -0.000 0.000 0.204 445 Q C 2.485 178.376 176.000 -0.182 0.000 0.975 445 Q CA 1.433 57.159 55.803 -0.129 0.000 0.866 445 Q CB -0.068 28.627 28.738 -0.071 0.000 0.915 445 Q HN 0.517 nan 8.270 nan 0.000 0.440 446 R N -0.065 120.332 120.500 -0.172 0.000 2.090 446 R HA -0.062 4.278 4.340 -0.000 0.000 0.219 446 R C 0.415 176.603 176.300 -0.186 0.000 1.100 446 R CA 1.240 57.210 56.100 -0.216 0.000 0.991 446 R CB 0.456 30.637 30.300 -0.198 0.000 0.893 446 R HN 0.160 nan 8.270 nan 0.000 0.443 447 D N 0.179 120.529 120.400 -0.083 0.000 2.363 447 D HA -0.000 4.640 4.640 -0.000 0.000 0.214 447 D C 1.361 177.705 176.300 0.074 0.000 1.093 447 D CA 0.123 54.108 54.000 -0.025 0.000 0.837 447 D CB 0.352 41.095 40.800 -0.095 0.000 0.948 447 D HN 0.321 nan 8.370 nan 0.000 0.507 448 R N 0.746 121.276 120.500 0.051 0.000 2.200 448 R HA -0.009 4.331 4.340 -0.000 0.000 0.234 448 R C 1.015 177.253 176.300 -0.103 0.000 1.127 448 R CA 1.072 57.215 56.100 0.070 0.000 0.989 448 R CB -0.506 29.807 30.300 0.022 0.000 0.869 448 R HN -0.030 nan 8.270 nan 0.000 0.459 449 N N 0.460 119.012 118.700 -0.247 0.000 2.322 449 N HA -0.014 4.726 4.740 -0.000 0.000 0.194 449 N C -0.502 174.843 175.510 -0.274 0.000 1.126 449 N CA 0.166 53.050 53.050 -0.277 0.000 0.845 449 N CB 0.106 38.399 38.487 -0.324 0.000 0.976 449 N HN 0.358 nan 8.380 nan 0.000 0.475 450 H N 1.271 120.250 119.070 -0.152 0.000 2.620 450 H HA 0.129 4.685 4.556 -0.000 0.000 0.313 450 H C -1.227 173.941 175.328 -0.265 0.000 1.075 450 H CA -1.323 54.626 56.048 -0.165 0.000 1.397 450 H CB 1.691 31.397 29.762 -0.092 0.000 1.446 450 H HN -0.019 nan 8.280 nan 0.000 0.493 451 P HA -0.163 nan 4.420 nan 0.000 0.219 451 P C 1.450 178.313 177.300 -0.728 0.000 1.146 451 P CA 1.177 63.922 63.100 -0.592 0.000 0.808 451 P CB 0.229 31.302 31.700 -1.045 0.000 0.779 452 S N -0.713 114.675 115.700 -0.520 0.000 2.382 452 S HA -0.063 4.407 4.470 -0.000 0.000 0.228 452 S C 1.117 175.709 174.600 -0.014 0.000 1.027 452 S CA 0.547 58.629 58.200 -0.197 0.000 0.991 452 S CB -1.645 61.584 63.200 0.049 0.000 0.823 452 S HN -0.036 nan 8.310 nan 0.000 0.469 453 V N 3.729 123.600 119.914 -0.072 0.000 2.421 453 V HA 0.216 4.336 4.120 -0.000 0.000 0.271 453 V C 0.957 176.918 176.094 -0.223 0.000 1.031 453 V CA -0.005 62.215 62.300 -0.133 0.000 1.032 453 V CB 0.034 31.691 31.823 -0.277 0.000 1.009 453 V HN 0.612 nan 8.190 nan 0.000 0.477 454 I N 2.448 122.933 120.570 -0.143 0.000 4.082 454 I HA 0.524 4.694 4.170 -0.000 0.000 0.337 454 I C 0.332 176.332 176.117 -0.195 0.000 1.352 454 I CA 0.497 61.705 61.300 -0.152 0.000 1.097 454 I CB 0.311 38.266 38.000 -0.075 0.000 1.048 454 I HN 0.317 nan 8.210 nan 0.000 0.393 455 I N 0.089 120.510 120.570 -0.249 0.000 2.752 455 I HA 0.341 4.511 4.170 -0.000 0.000 0.295 455 I C -1.614 174.365 176.117 -0.230 0.000 1.219 455 I CA -0.437 60.754 61.300 -0.182 0.000 1.030 455 I CB 2.198 40.191 38.000 -0.011 0.000 1.259 455 I HN 0.020 nan 8.210 nan 0.000 0.423 456 W N 3.539 124.889 121.300 0.083 0.000 2.512 456 W HA 0.641 5.301 4.660 -0.000 0.000 0.335 456 W C 0.331 176.909 176.519 0.099 0.000 1.088 456 W CA -0.609 56.790 57.345 0.090 0.000 1.236 456 W CB 1.729 31.240 29.460 0.086 0.000 1.307 456 W HN 0.343 nan 8.180 nan 0.000 0.567 457 S N 2.141 118.056 115.700 0.358 0.000 2.536 457 S HA 0.443 4.913 4.470 -0.000 0.000 0.287 457 S C -0.214 174.530 174.600 0.240 0.000 1.101 457 S CA -0.767 57.584 58.200 0.252 0.000 0.950 457 S CB 0.728 64.018 63.200 0.150 0.000 1.056 457 S HN 0.534 nan 8.310 nan 0.000 0.481 458 L N 3.781 125.131 121.223 0.212 0.000 2.645 458 L HA 0.539 4.879 4.340 -0.000 0.000 0.234 458 L C 1.325 178.261 176.870 0.111 0.000 1.165 458 L CA 0.187 55.090 54.840 0.104 0.000 0.944 458 L CB -1.323 40.733 42.059 -0.005 0.000 1.149 458 L HN 0.998 nan 8.230 nan 0.000 0.446 459 G N 0.472 109.390 108.800 0.196 0.000 2.297 459 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.209 459 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.209 459 G C -1.593 173.408 174.900 0.168 0.000 1.267 459 G CA -0.372 44.837 45.100 0.182 0.000 1.127 459 G HN 0.319 nan 8.290 nan 0.000 0.498 460 N N 0.522 119.279 118.700 0.095 0.000 2.367 460 N HA 0.449 5.189 4.740 -0.000 0.000 0.278 460 N C -0.303 175.133 175.510 -0.122 0.000 1.117 460 N CA 0.200 53.158 53.050 -0.153 0.000 0.867 460 N CB 1.286 39.355 38.487 -0.696 0.000 1.649 460 N HN 1.082 nan 8.380 nan 0.000 0.479 461 E N 0.943 120.980 120.200 -0.270 0.000 1.757 461 E HA -0.225 4.125 4.350 -0.000 0.000 0.182 461 E C -0.794 175.683 176.600 -0.205 0.000 1.337 461 E CA 0.713 56.899 56.400 -0.356 0.000 0.563 461 E CB -1.502 27.776 29.700 -0.702 0.000 1.024 461 E HN 0.418 nan 8.360 nan 0.000 0.278 462 S N 0.417 116.123 115.700 0.010 0.000 2.960 462 S HA 0.407 4.877 4.470 -0.000 0.000 0.256 462 S C 0.755 175.473 174.600 0.195 0.000 1.017 462 S CA -0.055 58.220 58.200 0.124 0.000 1.144 462 S CB 1.450 64.798 63.200 0.246 0.000 1.109 462 S HN 1.005 nan 8.310 nan 0.000 0.638 463 G N 1.868 110.729 108.800 0.102 0.000 2.525 463 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.248 463 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.248 463 G C -0.591 174.455 174.900 0.243 0.000 1.238 463 G CA -0.202 44.958 45.100 0.099 0.000 0.926 463 G HN 0.571 nan 8.290 nan 0.000 0.574 464 H N 0.575 119.714 119.070 0.115 0.000 3.013 464 H HA 0.556 5.112 4.556 -0.000 0.000 0.326 464 H C 0.190 175.641 175.328 0.204 0.000 0.973 464 H CA 0.017 56.158 56.048 0.154 0.000 1.369 464 H CB 0.705 30.513 29.762 0.076 0.000 1.598 464 H HN 1.153 nan 8.280 nan 0.000 0.518 465 G N 1.454 110.247 108.800 -0.012 0.000 2.630 465 G HA2 0.461 4.421 3.960 -0.000 0.000 0.296 465 G HA3 0.461 4.421 3.960 -0.000 0.000 0.296 465 G C 0.641 175.355 174.900 -0.310 0.000 1.285 465 G CA -0.126 44.859 45.100 -0.193 0.000 0.958 465 G HN 0.661 nan 8.290 nan 0.000 0.479 466 A N 0.792 123.488 122.820 -0.207 0.000 1.903 466 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 466 A C 2.179 179.713 177.584 -0.084 0.000 1.191 466 A CA 2.285 54.248 52.037 -0.122 0.000 0.638 466 A CB -0.673 18.287 19.000 -0.066 0.000 0.823 466 A HN 0.585 nan 8.150 nan 0.000 0.451 467 N N -0.447 118.179 118.700 -0.124 0.000 2.322 467 N HA -0.186 4.554 4.740 -0.000 0.000 0.189 467 N C 1.285 176.693 175.510 -0.170 0.000 1.012 467 N CA 1.822 54.781 53.050 -0.151 0.000 0.880 467 N CB -0.716 37.656 38.487 -0.192 0.000 0.967 467 N HN 0.818 nan 8.380 nan 0.000 0.439 468 H N -0.294 118.721 119.070 -0.090 0.000 2.436 468 H HA 0.060 4.616 4.556 -0.000 0.000 0.294 468 H C 1.237 176.598 175.328 0.056 0.000 1.048 468 H CA 0.825 56.828 56.048 -0.075 0.000 1.353 468 H CB 0.295 30.015 29.762 -0.070 0.000 1.414 468 H HN 0.157 nan 8.280 nan 0.000 0.536 469 D N 0.424 120.944 120.400 0.199 0.000 2.097 469 D HA -0.120 4.519 4.640 -0.000 0.000 0.197 469 D C 2.315 178.746 176.300 0.218 0.000 0.984 469 D CA 1.147 55.284 54.000 0.228 0.000 0.826 469 D CB -0.335 40.575 40.800 0.182 0.000 0.973 469 D HN 0.391 nan 8.370 nan 0.000 0.460 470 A N 1.134 124.028 122.820 0.125 0.000 1.873 470 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 470 A C 2.428 180.093 177.584 0.135 0.000 1.193 470 A CA 1.252 53.352 52.037 0.106 0.000 0.629 470 A CB -0.975 18.048 19.000 0.039 0.000 0.826 470 A HN 0.227 nan 8.150 nan 0.000 0.447 471 L N -1.958 119.323 121.223 0.096 0.000 2.201 471 L HA -0.157 4.183 4.340 -0.000 0.000 0.212 471 L C 2.507 179.493 176.870 0.193 0.000 1.105 471 L CA 1.372 56.271 54.840 0.099 0.000 0.775 471 L CB -0.667 41.381 42.059 -0.017 0.000 0.913 471 L HN 0.616 nan 8.230 nan 0.000 0.440 472 Y N 0.796 121.155 120.300 0.097 0.000 2.070 472 Y HA -0.236 4.314 4.550 -0.000 0.000 0.279 472 Y C 2.864 178.829 175.900 0.108 0.000 1.134 472 Y CA 1.448 59.610 58.100 0.104 0.000 1.113 472 Y CB -0.263 38.260 38.460 0.106 0.000 0.981 472 Y HN -0.094 nan 8.280 nan 0.000 0.487 473 R N -0.153 120.332 120.500 -0.026 0.000 2.139 473 R HA -0.261 4.079 4.340 -0.000 0.000 0.243 473 R C 2.135 178.391 176.300 -0.073 0.000 1.145 473 R CA 1.896 57.927 56.100 -0.116 0.000 0.976 473 R CB -1.465 28.866 30.300 0.053 0.000 0.866 473 R HN 0.685 nan 8.270 nan 0.000 0.449 474 W N 1.197 122.424 121.300 -0.122 0.000 2.333 474 W HA -0.189 4.471 4.660 -0.000 0.000 0.316 474 W C 1.920 178.336 176.519 -0.171 0.000 1.215 474 W CA 1.621 58.892 57.345 -0.123 0.000 1.278 474 W CB -0.321 29.078 29.460 -0.101 0.000 1.154 474 W HN -0.043 nan 8.180 nan 0.000 0.486 475 I N 0.822 121.404 120.570 0.020 0.000 2.163 475 I HA -0.343 3.827 4.170 -0.000 0.000 0.243 475 I C 2.301 178.239 176.117 -0.299 0.000 1.085 475 I CA 1.416 62.596 61.300 -0.200 0.000 1.347 475 I CB -1.171 36.749 38.000 -0.133 0.000 1.044 475 I HN -0.051 nan 8.210 nan 0.000 0.408 476 K N 1.107 121.324 120.400 -0.305 0.000 2.228 476 K HA -0.133 4.187 4.320 -0.000 0.000 0.205 476 K C 2.155 178.608 176.600 -0.245 0.000 1.045 476 K CA 1.481 57.588 56.287 -0.299 0.000 0.931 476 K CB -0.387 31.858 32.500 -0.424 0.000 0.727 476 K HN 0.385 nan 8.250 nan 0.000 0.458 477 S N -0.142 115.370 115.700 -0.313 0.000 2.460 477 S HA 0.015 4.484 4.470 -0.000 0.000 0.226 477 S C 2.165 176.546 174.600 -0.366 0.000 1.057 477 S CA 0.254 58.273 58.200 -0.300 0.000 0.948 477 S CB -0.048 62.975 63.200 -0.296 0.000 0.822 477 S HN -0.044 nan 8.310 nan 0.000 0.512 478 V N 1.862 121.415 119.914 -0.601 0.000 2.358 478 V HA -0.028 4.092 4.120 -0.000 0.000 0.246 478 V C 0.547 176.426 176.094 -0.358 0.000 1.047 478 V CA 1.574 63.502 62.300 -0.621 0.000 1.035 478 V CB -0.324 30.803 31.823 -1.160 0.000 0.658 478 V HN 0.428 nan 8.190 nan 0.000 0.452 479 D N -0.877 119.347 120.400 -0.293 0.000 2.346 479 D HA 0.258 4.898 4.640 -0.000 0.000 0.255 479 D C -2.377 173.907 176.300 -0.027 0.000 1.276 479 D CA -1.778 52.159 54.000 -0.105 0.000 0.941 479 D CB 1.764 42.561 40.800 -0.004 0.000 1.199 479 D HN 0.106 nan 8.370 nan 0.000 0.537 480 P HA 0.053 nan 4.420 nan 0.000 0.255 480 P C 0.983 178.299 177.300 0.027 0.000 1.248 480 P CA 0.234 63.322 63.100 -0.019 0.000 0.807 480 P CB 0.274 31.951 31.700 -0.039 0.000 1.150 481 S N -1.123 114.607 115.700 0.050 0.000 2.436 481 S HA 0.070 4.540 4.470 -0.000 0.000 0.228 481 S C 1.100 175.733 174.600 0.054 0.000 1.014 481 S CA 0.100 58.331 58.200 0.052 0.000 0.950 481 S CB -0.304 62.919 63.200 0.038 0.000 0.784 481 S HN 0.072 nan 8.310 nan 0.000 0.504 482 R N 1.567 122.122 120.500 0.092 0.000 2.668 482 R HA 0.588 4.928 4.340 -0.000 0.000 0.279 482 R C -3.047 173.324 176.300 0.118 0.000 0.976 482 R CA -2.364 53.764 56.100 0.047 0.000 0.978 482 R CB 0.715 30.965 30.300 -0.084 0.000 1.133 482 R HN 0.181 nan 8.270 nan 0.000 0.484 483 P HA 0.202 nan 4.420 nan 0.000 0.279 483 P C -0.906 176.514 177.300 0.200 0.000 1.252 483 P CA -0.514 62.661 63.100 0.124 0.000 0.811 483 P CB 0.903 32.653 31.700 0.083 0.000 1.035 484 V N 2.450 122.523 119.914 0.265 0.000 2.448 484 V HA 0.405 4.525 4.120 -0.000 0.000 0.295 484 V C 0.122 176.399 176.094 0.306 0.000 1.025 484 V CA -0.350 62.158 62.300 0.346 0.000 0.859 484 V CB 1.085 33.157 31.823 0.415 0.000 0.988 484 V HN 0.615 nan 8.190 nan 0.000 0.431 485 Q N 4.273 124.211 119.800 0.230 0.000 2.394 485 Q HA 0.798 5.138 4.340 -0.000 0.000 0.273 485 Q C -1.753 174.356 176.000 0.182 0.000 1.089 485 Q CA -0.951 54.934 55.803 0.137 0.000 0.812 485 Q CB 2.941 31.714 28.738 0.057 0.000 1.353 485 Q HN 0.673 nan 8.270 nan 0.000 0.438 486 Y N 0.728 120.986 120.300 -0.070 0.000 2.333 486 Y HA 0.150 4.700 4.550 -0.000 0.000 0.319 486 Y C -0.128 175.660 175.900 -0.187 0.000 1.200 486 Y CA -0.641 57.388 58.100 -0.119 0.000 1.084 486 Y CB 2.036 40.428 38.460 -0.115 0.000 1.268 486 Y HN 0.958 nan 8.280 nan 0.000 0.422 487 E N 3.758 123.467 120.200 -0.817 0.000 2.107 487 E HA 0.042 4.392 4.350 -0.000 0.000 0.191 487 E C 0.785 176.914 176.600 -0.785 0.000 0.982 487 E CA 0.950 56.942 56.400 -0.681 0.000 0.809 487 E CB -0.002 29.392 29.700 -0.511 0.000 0.756 487 E HN 0.920 nan 8.360 nan 0.000 0.459 488 G N -0.252 107.721 108.800 -1.378 0.000 2.349 488 G HA2 0.138 4.098 3.960 -0.000 0.000 0.232 488 G HA3 0.138 4.098 3.960 -0.000 0.000 0.232 488 G C 0.833 175.528 174.900 -0.340 0.000 1.240 488 G CA 0.477 45.100 45.100 -0.795 0.000 0.870 488 G HN 0.446 nan 8.290 nan 0.000 0.528 489 G N 0.073 108.775 108.800 -0.163 0.000 2.143 489 G HA2 0.230 4.190 3.960 -0.000 0.000 0.248 489 G HA3 0.230 4.190 3.960 -0.000 0.000 0.248 489 G C 1.292 176.157 174.900 -0.057 0.000 0.991 489 G CA 0.926 45.999 45.100 -0.046 0.000 0.689 489 G HN 2.689 nan 8.290 nan 0.000 0.522 490 G N -1.366 107.390 108.800 -0.074 0.000 2.205 490 G HA2 0.445 4.405 3.960 -0.000 0.000 0.180 490 G HA3 0.445 4.405 3.960 -0.000 0.000 0.180 490 G C 1.150 176.101 174.900 0.085 0.000 1.004 490 G CA 1.205 46.329 45.100 0.039 0.000 0.670 490 G HN 2.313 nan 8.290 nan 0.000 0.496 491 A N -0.099 122.655 122.820 -0.109 0.000 3.132 491 A HA -0.114 4.206 4.320 -0.000 0.000 0.266 491 A C 1.233 178.707 177.584 -0.184 0.000 1.216 491 A CA 2.726 54.647 52.037 -0.193 0.000 0.985 491 A CB -1.656 17.217 19.000 -0.211 0.000 1.102 491 A HN 2.144 nan 8.150 nan 0.000 0.833 492 D N -1.582 118.781 120.400 -0.060 0.000 2.651 492 D HA 0.224 4.864 4.640 -0.000 0.000 0.280 492 D C 0.393 176.659 176.300 -0.057 0.000 1.496 492 D CA 0.907 54.885 54.000 -0.037 0.000 0.792 492 D CB -1.257 39.649 40.800 0.176 0.000 1.144 492 D HN 0.885 nan 8.370 nan 0.000 0.470 493 T N -1.608 112.853 114.554 -0.156 0.000 2.680 493 T HA 0.151 4.501 4.350 -0.000 0.000 0.314 493 T C 1.547 176.107 174.700 -0.235 0.000 1.045 493 T CA 0.691 62.641 62.100 -0.250 0.000 1.025 493 T CB 0.822 69.341 68.868 -0.581 0.000 1.000 493 T HN 0.098 nan 8.240 nan 0.000 0.535 494 T N -2.443 111.983 114.554 -0.215 0.000 3.227 494 T HA 0.280 4.630 4.350 -0.000 0.000 0.257 494 T C 1.326 175.797 174.700 -0.381 0.000 1.162 494 T CA 0.156 62.147 62.100 -0.181 0.000 1.051 494 T CB -0.482 68.366 68.868 -0.034 0.000 0.953 494 T HN 0.857 nan 8.240 nan 0.000 0.535 495 A N 0.354 122.926 122.820 -0.413 0.000 2.500 495 A HA 0.550 4.870 4.320 -0.000 0.000 0.267 495 A C 0.707 177.966 177.584 -0.542 0.000 1.290 495 A CA -0.376 51.331 52.037 -0.550 0.000 0.928 495 A CB 0.237 19.194 19.000 -0.072 0.000 1.066 495 A HN 0.433 nan 8.150 nan 0.000 0.516 496 T N -1.412 112.867 114.554 -0.459 0.000 2.993 496 T HA 0.335 4.685 4.350 -0.000 0.000 0.312 496 T C -0.577 174.068 174.700 -0.092 0.000 1.115 496 T CA -0.423 61.579 62.100 -0.164 0.000 1.027 496 T CB 1.199 70.008 68.868 -0.098 0.000 1.116 496 T HN 0.081 nan 8.240 nan 0.000 0.464 497 D N 2.824 123.263 120.400 0.066 0.000 2.277 497 D HA 0.194 4.834 4.640 -0.000 0.000 0.208 497 D C 0.517 176.823 176.300 0.011 0.000 0.962 497 D CA 0.956 55.006 54.000 0.083 0.000 0.865 497 D CB 0.368 41.256 40.800 0.147 0.000 0.939 497 D HN 0.541 nan 8.370 nan 0.000 0.510 498 I N 0.836 121.392 120.570 -0.023 0.000 2.569 498 I HA 0.217 4.387 4.170 -0.000 0.000 0.296 498 I C -0.034 175.994 176.117 -0.149 0.000 1.028 498 I CA -0.852 60.403 61.300 -0.075 0.000 1.082 498 I CB 2.918 40.883 38.000 -0.058 0.000 1.264 498 I HN -0.319 nan 8.210 nan 0.000 0.429 499 I N 5.119 125.558 120.570 -0.219 0.000 2.436 499 I HA 0.111 4.281 4.170 -0.000 0.000 0.289 499 I C -0.143 175.754 176.117 -0.367 0.000 1.083 499 I CA -0.118 60.958 61.300 -0.373 0.000 1.372 499 I CB 0.149 37.821 38.000 -0.547 0.000 1.408 499 I HN 0.676 nan 8.210 nan 0.000 0.516 500 C N 5.232 124.322 119.300 -0.351 0.000 3.445 500 C HA 0.491 4.951 4.460 -0.000 0.000 0.213 500 C C -2.476 172.337 174.990 -0.294 0.000 1.319 500 C CA -2.272 56.581 59.018 -0.275 0.000 1.402 500 C CB -0.363 27.264 27.740 -0.188 0.000 1.819 500 C HN 0.398 nan 8.230 nan 0.000 0.491 501 P HA 0.429 nan 4.420 nan 0.000 0.274 501 P C -0.325 176.871 177.300 -0.173 0.000 1.256 501 P CA -0.041 62.923 63.100 -0.227 0.000 0.795 501 P CB 0.608 32.233 31.700 -0.126 0.000 1.038 502 M N -0.186 119.325 119.600 -0.149 0.000 2.253 502 M HA 0.491 4.971 4.480 -0.000 0.000 0.314 502 M C -1.027 175.170 176.300 -0.173 0.000 1.019 502 M CA -0.651 54.444 55.300 -0.341 0.000 0.932 502 M CB 1.478 33.789 32.600 -0.482 0.000 1.606 502 M HN 0.240 nan 8.290 nan 0.000 0.430 503 Y N -0.390 120.025 120.300 0.191 0.000 4.490 503 Y HA -0.192 4.358 4.550 -0.000 0.000 0.233 503 Y C 0.314 176.352 175.900 0.230 0.000 1.101 503 Y CA 0.509 58.734 58.100 0.207 0.000 2.010 503 Y CB -2.551 36.014 38.460 0.174 0.000 1.622 503 Y HN 0.970 nan 8.280 nan 0.000 0.675 504 A N 0.740 123.752 122.820 0.320 0.000 2.366 504 A HA 0.676 4.996 4.320 -0.000 0.000 0.272 504 A C 0.707 178.513 177.584 0.370 0.000 1.135 504 A CA -0.608 51.625 52.037 0.326 0.000 0.804 504 A CB 0.455 19.688 19.000 0.388 0.000 1.064 504 A HN 0.370 nan 8.150 nan 0.000 0.499 505 R N 1.330 121.986 120.500 0.260 0.000 2.583 505 R HA 0.329 4.669 4.340 -0.000 0.000 0.268 505 R C 1.212 177.540 176.300 0.046 0.000 1.101 505 R CA -0.519 55.684 56.100 0.171 0.000 1.180 505 R CB 0.615 30.959 30.300 0.072 0.000 1.128 505 R HN 0.501 nan 8.270 nan 0.000 0.568 506 V N 0.663 120.456 119.914 -0.201 0.000 2.261 506 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 506 V C 0.814 176.836 176.094 -0.120 0.000 1.047 506 V CA 1.957 64.109 62.300 -0.247 0.000 1.015 506 V CB -0.256 31.307 31.823 -0.433 0.000 0.642 506 V HN 0.795 nan 8.190 nan 0.000 0.446 507 D N -1.636 118.712 120.400 -0.087 0.000 2.500 507 D HA 0.145 4.785 4.640 -0.000 0.000 0.217 507 D C 0.602 176.896 176.300 -0.011 0.000 1.159 507 D CA 0.014 53.989 54.000 -0.041 0.000 0.828 507 D CB 1.128 41.902 40.800 -0.043 0.000 1.039 507 D HN 0.433 nan 8.370 nan 0.000 0.512 508 E N 1.743 121.938 120.200 -0.008 0.000 2.158 508 E HA 0.158 4.508 4.350 -0.000 0.000 0.271 508 E C -1.133 175.458 176.600 -0.014 0.000 0.911 508 E CA -0.566 55.828 56.400 -0.010 0.000 0.767 508 E CB 1.562 31.252 29.700 -0.017 0.000 1.120 508 E HN -0.151 nan 8.360 nan 0.000 0.405 509 D N 3.177 123.563 120.400 -0.023 0.000 2.256 509 D HA 0.130 4.770 4.640 -0.000 0.000 0.250 509 D C -0.593 175.576 176.300 -0.219 0.000 1.093 509 D CA 0.035 53.998 54.000 -0.062 0.000 0.882 509 D CB 1.139 41.972 40.800 0.055 0.000 1.185 509 D HN 0.306 nan 8.370 nan 0.000 0.437 510 Q N 2.496 122.050 119.800 -0.410 0.000 2.508 510 Q HA 0.283 4.623 4.340 -0.000 0.000 0.247 510 Q C -2.166 173.244 176.000 -0.982 0.000 1.047 510 Q CA -1.729 53.635 55.803 -0.733 0.000 0.783 510 Q CB 1.816 30.044 28.738 -0.851 0.000 1.172 510 Q HN 0.119 nan 8.270 nan 0.000 0.515 511 P HA 0.002 nan 4.420 nan 0.000 0.232 511 P C -0.855 176.217 177.300 -0.381 0.000 1.738 511 P CA -0.099 62.675 63.100 -0.542 0.000 0.948 511 P CB -0.468 31.070 31.700 -0.270 0.000 1.943 512 F N 3.051 122.850 119.950 -0.252 0.000 2.538 512 F HA 0.173 4.700 4.527 -0.000 0.000 0.371 512 F C -1.150 174.557 175.800 -0.154 0.000 1.087 512 F CA -2.761 55.139 58.000 -0.166 0.000 1.250 512 F CB -0.698 38.211 39.000 -0.152 0.000 1.110 512 F HN 0.091 nan 8.300 nan 0.000 0.570 513 P HA 0.097 nan 4.420 nan 0.000 0.262 513 P C 0.382 177.697 177.300 0.025 0.000 1.182 513 P CA 1.129 64.250 63.100 0.035 0.000 0.761 513 P CB 0.995 32.712 31.700 0.028 0.000 0.795 514 A N 3.457 126.284 122.820 0.011 0.000 1.699 514 A HA -0.264 4.056 4.320 -0.000 0.000 0.227 514 A C 0.865 178.452 177.584 0.004 0.000 0.493 514 A CA 1.803 53.847 52.037 0.012 0.000 1.113 514 A CB -2.719 16.284 19.000 0.006 0.000 1.450 514 A HN 0.673 nan 8.150 nan 0.000 0.714 515 V N -2.210 117.705 119.914 0.001 0.000 2.737 515 V HA 0.509 4.629 4.120 -0.000 0.000 0.320 515 V C -1.715 174.374 176.094 -0.009 0.000 1.174 515 V CA -1.124 61.174 62.300 -0.003 0.000 1.355 515 V CB 0.029 31.843 31.823 -0.014 0.000 1.558 515 V HN 0.659 nan 8.190 nan 0.000 0.618 516 P HA 0.162 nan 4.420 nan 0.000 0.270 516 P C -0.682 176.246 177.300 -0.620 0.000 1.227 516 P CA 0.298 63.101 63.100 -0.494 0.000 0.788 516 P CB 0.795 31.811 31.700 -1.141 0.000 0.926 517 K N 1.526 121.547 120.400 -0.632 0.000 2.507 517 K HA 0.322 4.642 4.320 -0.000 0.000 0.253 517 K C -0.642 175.589 176.600 -0.615 0.000 0.969 517 K CA -0.425 55.612 56.287 -0.417 0.000 0.908 517 K CB 0.711 33.263 32.500 0.087 0.000 1.127 517 K HN 0.417 nan 8.250 nan 0.000 0.437 518 W N 1.246 122.206 121.300 -0.568 0.000 2.141 518 W HA 0.179 4.839 4.660 -0.000 0.000 0.354 518 W C 1.155 177.656 176.519 -0.030 0.000 1.297 518 W CA -0.649 56.478 57.345 -0.363 0.000 1.380 518 W CB 0.489 29.590 29.460 -0.599 0.000 1.168 518 W HN 0.463 nan 8.180 nan 0.000 0.639 519 S N 2.571 118.415 115.700 0.240 0.000 2.563 519 S HA -0.081 4.389 4.470 -0.000 0.000 0.294 519 S C 1.280 176.042 174.600 0.270 0.000 1.279 519 S CA -0.047 58.259 58.200 0.176 0.000 1.069 519 S CB 0.007 63.263 63.200 0.093 0.000 0.828 519 S HN 0.551 nan 8.310 nan 0.000 0.497 520 I N 2.784 123.502 120.570 0.247 0.000 2.194 520 I HA -0.250 3.920 4.170 -0.000 0.000 0.246 520 I C 2.011 178.223 176.117 0.158 0.000 1.093 520 I CA 1.620 63.072 61.300 0.254 0.000 1.355 520 I CB -0.537 37.568 38.000 0.175 0.000 1.046 520 I HN 0.653 nan 8.210 nan 0.000 0.413 521 K N 1.630 122.038 120.400 0.013 0.000 2.147 521 K HA -0.177 4.143 4.320 -0.000 0.000 0.205 521 K C 2.259 178.938 176.600 0.131 0.000 1.049 521 K CA 1.859 58.124 56.287 -0.037 0.000 0.936 521 K CB -0.327 32.047 32.500 -0.210 0.000 0.722 521 K HN 0.564 nan 8.250 nan 0.000 0.446 522 K N 0.468 120.940 120.400 0.120 0.000 2.167 522 K HA -0.146 4.174 4.320 -0.000 0.000 0.203 522 K C 1.816 178.455 176.600 0.064 0.000 1.052 522 K CA 0.532 56.860 56.287 0.069 0.000 0.956 522 K CB -0.094 32.401 32.500 -0.010 0.000 0.735 522 K HN 0.175 nan 8.250 nan 0.000 0.451 523 W N 2.486 123.800 121.300 0.022 0.000 2.318 523 W HA -0.198 4.462 4.660 -0.000 0.000 0.313 523 W C 1.774 178.280 176.519 -0.020 0.000 1.221 523 W CA 1.295 58.648 57.345 0.014 0.000 1.266 523 W CB -0.655 28.884 29.460 0.132 0.000 1.150 523 W HN 0.079 nan 8.180 nan 0.000 0.496 524 L N 0.783 122.188 121.223 0.304 0.000 2.021 524 L HA -0.315 4.024 4.340 -0.000 0.000 0.215 524 L C 2.536 179.470 176.870 0.108 0.000 1.074 524 L CA 2.277 57.222 54.840 0.174 0.000 0.760 524 L CB -1.545 40.613 42.059 0.165 0.000 0.889 524 L HN 0.003 nan 8.230 nan 0.000 0.433 525 S N -0.786 114.959 115.700 0.074 0.000 2.561 525 S HA 0.072 4.542 4.470 -0.000 0.000 0.225 525 S C 0.854 175.434 174.600 -0.034 0.000 0.977 525 S CA -0.249 57.959 58.200 0.014 0.000 0.926 525 S CB -0.678 62.522 63.200 0.000 0.000 0.769 525 S HN 0.217 nan 8.310 nan 0.000 0.533 526 L N 2.290 123.484 121.223 -0.048 0.000 2.506 526 L HA 0.200 4.540 4.340 -0.000 0.000 0.281 526 L C -2.144 174.689 176.870 -0.061 0.000 1.228 526 L CA -1.667 53.099 54.840 -0.124 0.000 0.850 526 L CB -0.305 41.649 42.059 -0.174 0.000 1.110 526 L HN 0.078 nan 8.230 nan 0.000 0.496 527 P HA 0.012 nan 4.420 nan 0.000 0.260 527 P C 0.763 178.052 177.300 -0.018 0.000 1.185 527 P CA 0.927 64.001 63.100 -0.043 0.000 0.763 527 P CB 0.683 32.353 31.700 -0.050 0.000 0.776 528 G N 2.221 111.017 108.800 -0.007 0.000 2.284 528 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.230 528 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.230 528 G C 0.303 175.213 174.900 0.017 0.000 1.021 528 G CA -0.347 44.756 45.100 0.005 0.000 0.619 528 G HN 0.521 nan 8.290 nan 0.000 0.510 529 E N 0.990 121.205 120.200 0.026 0.000 2.415 529 E HA 0.409 4.759 4.350 -0.000 0.000 0.262 529 E C 1.450 178.066 176.600 0.027 0.000 1.038 529 E CA 1.289 57.715 56.400 0.042 0.000 0.921 529 E CB 0.945 30.695 29.700 0.083 0.000 0.950 529 E HN 0.785 nan 8.360 nan 0.000 0.438 530 T N -0.892 113.674 114.554 0.020 0.000 3.207 530 T HA 0.179 4.529 4.350 -0.000 0.000 0.277 530 T C 0.642 175.343 174.700 0.001 0.000 0.865 530 T CA -0.447 61.660 62.100 0.011 0.000 0.857 530 T CB 0.352 69.226 68.868 0.011 0.000 1.240 530 T HN 0.195 nan 8.240 nan 0.000 0.618 531 R N 2.462 122.957 120.500 -0.009 0.000 2.801 531 R HA 0.458 4.798 4.340 -0.000 0.000 0.273 531 R C -2.488 173.785 176.300 -0.045 0.000 1.080 531 R CA -1.560 54.523 56.100 -0.027 0.000 1.197 531 R CB -0.044 30.228 30.300 -0.045 0.000 1.109 531 R HN 0.262 nan 8.270 nan 0.000 0.535 532 P HA 0.069 nan 4.420 nan 0.000 0.277 532 P C -1.213 176.015 177.300 -0.120 0.000 1.240 532 P CA -0.312 62.744 63.100 -0.073 0.000 0.798 532 P CB 0.695 32.355 31.700 -0.066 0.000 0.979 533 L N 3.820 124.956 121.223 -0.146 0.000 2.333 533 L HA 0.542 4.882 4.340 -0.000 0.000 0.280 533 L C -0.817 175.905 176.870 -0.247 0.000 1.004 533 L CA -0.765 53.950 54.840 -0.209 0.000 0.820 533 L CB 0.154 42.101 42.059 -0.187 0.000 1.247 533 L HN 0.284 nan 8.230 nan 0.000 0.416 534 I N 6.188 126.612 120.570 -0.245 0.000 2.534 534 I HA 0.227 4.397 4.170 -0.000 0.000 0.286 534 I C -0.712 175.286 176.117 -0.198 0.000 1.094 534 I CA -0.748 60.400 61.300 -0.253 0.000 1.055 534 I CB 1.956 39.868 38.000 -0.147 0.000 1.225 534 I HN 0.427 nan 8.210 nan 0.000 0.435 535 L N 5.113 126.177 121.223 -0.265 0.000 2.455 535 L HA 0.052 4.392 4.340 -0.000 0.000 0.272 535 L C 1.495 178.376 176.870 0.018 0.000 1.174 535 L CA -0.133 54.605 54.840 -0.170 0.000 0.869 535 L CB 0.646 42.560 42.059 -0.242 0.000 1.130 535 L HN 0.856 nan 8.230 nan 0.000 0.474 536 C N 0.030 119.314 119.300 -0.027 0.000 2.495 536 C HA 0.209 4.669 4.460 -0.000 0.000 0.275 536 C C 0.683 175.728 174.990 0.092 0.000 1.392 536 C CA -0.290 58.726 59.018 -0.004 0.000 1.766 536 C CB -0.938 26.704 27.740 -0.164 0.000 1.933 536 C HN 0.839 nan 8.230 nan 0.000 0.519 537 E N -0.250 119.965 120.200 0.025 0.000 2.287 537 E HA 0.559 4.909 4.350 -0.000 0.000 0.274 537 E C -1.362 175.225 176.600 -0.023 0.000 0.896 537 E CA -0.323 56.092 56.400 0.024 0.000 0.788 537 E CB 1.837 31.305 29.700 -0.386 0.000 1.244 537 E HN 0.557 nan 8.360 nan 0.000 0.408 538 Y N 0.030 120.381 120.300 0.085 0.000 2.638 538 Y HA 0.690 5.240 4.550 -0.000 0.000 0.335 538 Y C -0.442 175.676 175.900 0.364 0.000 1.155 538 Y CA -1.428 56.745 58.100 0.122 0.000 1.046 538 Y CB 0.682 39.011 38.460 -0.219 0.000 1.303 538 Y HN 0.589 nan 8.280 nan 0.000 0.460 539 A N 1.631 124.503 122.820 0.087 0.000 2.648 539 A HA -0.270 4.050 4.320 -0.000 0.000 0.297 539 A C -0.070 177.665 177.584 0.251 0.000 1.467 539 A CA 0.942 53.023 52.037 0.073 0.000 0.731 539 A CB -2.807 16.091 19.000 -0.169 0.000 1.085 539 A HN 1.241 nan 8.150 nan 0.000 0.437 540 H N 0.451 119.660 119.070 0.232 0.000 3.643 540 H HA 0.193 4.748 4.556 -0.000 0.000 0.219 540 H C 1.380 176.773 175.328 0.108 0.000 1.120 540 H CA 0.373 56.562 56.048 0.235 0.000 1.448 540 H CB -0.015 29.757 29.762 0.016 0.000 1.639 540 H HN 0.884 nan 8.280 nan 0.000 0.574 541 A N 5.967 128.767 122.820 -0.034 0.000 2.167 541 A HA -0.088 4.232 4.320 -0.000 0.000 0.220 541 A C 1.007 178.407 177.584 -0.306 0.000 1.548 541 A CA 0.113 52.044 52.037 -0.175 0.000 1.583 541 A CB -0.810 18.095 19.000 -0.159 0.000 0.761 541 A HN 0.770 nan 8.150 nan 0.000 0.627 542 M N 1.259 120.585 119.600 -0.457 0.000 2.201 542 M HA 0.443 4.923 4.480 -0.000 0.000 0.345 542 M C 0.880 176.954 176.300 -0.376 0.000 1.352 542 M CA 1.128 56.167 55.300 -0.434 0.000 1.218 542 M CB -0.495 31.790 32.600 -0.525 0.000 1.512 542 M HN 0.805 nan 8.290 nan 0.000 0.447 543 G N 4.038 112.634 108.800 -0.341 0.000 2.498 543 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.251 543 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.251 543 G C -0.442 173.968 174.900 -0.818 0.000 1.170 543 G CA -0.154 44.608 45.100 -0.564 0.000 0.944 543 G HN 0.779 nan 8.290 nan 0.000 0.567 544 N N 1.452 119.513 118.700 -1.066 0.000 2.482 544 N HA 0.590 5.330 4.740 -0.000 0.000 0.242 544 N C -0.017 175.194 175.510 -0.499 0.000 1.100 544 N CA 0.945 53.480 53.050 -0.857 0.000 0.946 544 N CB 0.622 38.629 38.487 -0.800 0.000 1.227 544 N HN 0.717 nan 8.380 nan 0.000 0.508 545 S N 1.738 117.227 115.700 -0.352 0.000 3.144 545 S HA 0.566 5.036 4.470 -0.000 0.000 0.325 545 S C -0.124 174.364 174.600 -0.186 0.000 1.161 545 S CA -0.446 57.603 58.200 -0.251 0.000 0.920 545 S CB 0.243 63.308 63.200 -0.224 0.000 1.340 545 S HN 0.465 nan 8.310 nan 0.000 0.681 546 L N 0.242 121.394 121.223 -0.118 0.000 4.406 546 L HA -0.090 4.250 4.340 -0.000 0.000 0.406 546 L C 0.374 177.238 176.870 -0.011 0.000 1.133 546 L CA 0.647 55.444 54.840 -0.072 0.000 0.974 546 L CB -1.586 40.337 42.059 -0.227 0.000 2.152 546 L HN 0.646 nan 8.230 nan 0.000 0.736 547 G N -0.631 108.142 108.800 -0.044 0.000 2.360 547 G HA2 0.504 4.464 3.960 -0.000 0.000 0.279 547 G HA3 0.504 4.464 3.960 -0.000 0.000 0.279 547 G C 1.106 176.002 174.900 -0.008 0.000 1.189 547 G CA 0.315 45.369 45.100 -0.077 0.000 0.941 547 G HN 1.224 nan 8.290 nan 0.000 0.445 548 G N 1.754 110.559 108.800 0.010 0.000 2.134 548 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.209 548 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.209 548 G C 0.793 175.829 174.900 0.226 0.000 0.993 548 G CA 0.450 45.583 45.100 0.056 0.000 0.669 548 G HN 0.692 nan 8.290 nan 0.000 0.519 549 F N 1.569 121.597 119.950 0.129 0.000 2.234 549 F HA 0.249 4.776 4.527 -0.000 0.000 0.299 549 F C 2.584 178.554 175.800 0.284 0.000 1.087 549 F CA 2.269 60.426 58.000 0.262 0.000 1.340 549 F CB -0.176 38.916 39.000 0.154 0.000 1.031 549 F HN 0.322 nan 8.300 nan 0.000 0.500 550 A N -0.336 122.673 122.820 0.315 0.000 2.019 550 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 550 A C 2.295 179.919 177.584 0.066 0.000 1.164 550 A CA 1.532 53.685 52.037 0.194 0.000 0.644 550 A CB -0.652 18.448 19.000 0.167 0.000 0.805 550 A HN 0.389 nan 8.150 nan 0.000 0.449 551 K N -1.591 118.804 120.400 -0.007 0.000 2.057 551 K HA -0.130 4.190 4.320 -0.000 0.000 0.206 551 K C 1.725 178.118 176.600 -0.345 0.000 1.050 551 K CA 1.491 57.687 56.287 -0.153 0.000 0.935 551 K CB -0.280 32.096 32.500 -0.206 0.000 0.715 551 K HN 0.599 nan 8.250 nan 0.000 0.439 552 Y N -0.302 119.774 120.300 -0.373 0.000 2.036 552 Y HA -0.279 4.271 4.550 -0.000 0.000 0.273 552 Y C 2.140 177.260 175.900 -1.300 0.000 1.135 552 Y CA 1.716 59.264 58.100 -0.920 0.000 1.106 552 Y CB -0.906 36.893 38.460 -1.102 0.000 0.976 552 Y HN 0.155 nan 8.280 nan 0.000 0.483 553 W N 0.541 121.356 121.300 -0.808 0.000 2.313 553 W HA -0.271 4.389 4.660 -0.000 0.000 0.293 553 W C 2.619 178.966 176.519 -0.287 0.000 1.216 553 W CA 1.933 58.945 57.345 -0.555 0.000 1.223 553 W CB -0.738 28.540 29.460 -0.304 0.000 1.138 553 W HN 0.224 nan 8.180 nan 0.000 0.535 554 Q N 0.400 120.136 119.800 -0.107 0.000 2.016 554 Q HA -0.193 4.147 4.340 -0.000 0.000 0.200 554 Q C 2.329 178.296 176.000 -0.055 0.000 0.978 554 Q CA 2.067 57.851 55.803 -0.033 0.000 0.833 554 Q CB -0.497 28.230 28.738 -0.018 0.000 0.895 554 Q HN 0.254 nan 8.270 nan 0.000 0.427 555 A N 0.624 123.335 122.820 -0.182 0.000 1.877 555 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 555 A C 1.780 179.371 177.584 0.011 0.000 1.186 555 A CA 1.303 53.242 52.037 -0.164 0.000 0.620 555 A CB -0.957 17.828 19.000 -0.358 0.000 0.822 555 A HN 0.462 nan 8.150 nan 0.000 0.443 556 F N 0.251 120.055 119.950 -0.243 0.000 2.225 556 F HA -0.183 4.344 4.527 -0.000 0.000 0.302 556 F C 2.409 178.156 175.800 -0.089 0.000 1.068 556 F CA 1.262 59.101 58.000 -0.269 0.000 1.327 556 F CB -0.727 37.919 39.000 -0.589 0.000 1.043 556 F HN 0.244 nan 8.300 nan 0.000 0.506 557 R N -0.545 120.055 120.500 0.167 0.000 2.276 557 R HA -0.012 4.328 4.340 -0.000 0.000 0.196 557 R C 1.904 178.287 176.300 0.138 0.000 0.961 557 R CA 0.248 56.432 56.100 0.141 0.000 1.024 557 R CB -0.137 30.236 30.300 0.123 0.000 0.940 557 R HN 0.394 nan 8.270 nan 0.000 0.480 558 Q N -0.407 119.521 119.800 0.215 0.000 2.391 558 Q HA 0.054 4.394 4.340 -0.000 0.000 0.211 558 Q C -0.587 175.558 176.000 0.242 0.000 0.908 558 Q CA 0.426 56.374 55.803 0.242 0.000 0.920 558 Q CB 0.653 29.602 28.738 0.351 0.000 1.056 558 Q HN 0.116 nan 8.270 nan 0.000 0.523 559 Y N 0.167 120.475 120.300 0.014 0.000 2.342 559 Y HA 0.274 4.824 4.550 -0.000 0.000 0.338 559 Y C -1.768 174.122 175.900 -0.016 0.000 0.965 559 Y CA -2.942 55.160 58.100 0.003 0.000 1.159 559 Y CB 1.274 39.741 38.460 0.013 0.000 1.157 559 Y HN 0.073 nan 8.280 nan 0.000 0.486 560 P HA -0.150 nan 4.420 nan 0.000 0.215 560 P C 1.291 178.594 177.300 0.004 0.000 1.157 560 P CA 1.809 64.912 63.100 0.006 0.000 0.868 560 P CB 0.374 32.056 31.700 -0.030 0.000 0.788 561 R N -1.184 119.329 120.500 0.023 0.000 2.276 561 R HA 0.110 4.450 4.340 -0.000 0.000 0.203 561 R C 0.566 176.848 176.300 -0.030 0.000 1.017 561 R CA 0.191 56.291 56.100 -0.000 0.000 1.010 561 R CB -0.435 29.875 30.300 0.016 0.000 0.900 561 R HN 0.279 nan 8.270 nan 0.000 0.469 562 L N 2.201 123.426 121.223 0.004 0.000 2.312 562 L HA 0.120 4.460 4.340 -0.000 0.000 0.287 562 L C 0.804 177.524 176.870 -0.251 0.000 1.091 562 L CA 0.155 54.931 54.840 -0.105 0.000 0.846 562 L CB 1.098 43.172 42.059 0.024 0.000 1.219 562 L HN 0.035 nan 8.230 nan 0.000 0.439 563 Q N 2.966 122.546 119.800 -0.367 0.000 2.188 563 Q HA 0.337 4.677 4.340 -0.000 0.000 0.212 563 Q C 0.641 176.270 176.000 -0.619 0.000 0.846 563 Q CA -0.005 55.568 55.803 -0.384 0.000 0.989 563 Q CB 1.202 29.804 28.738 -0.227 0.000 1.114 563 Q HN 0.913 nan 8.270 nan 0.000 0.488 564 G N -0.523 107.550 108.800 -1.211 0.000 2.316 564 G HA2 0.268 4.228 3.960 -0.000 0.000 0.349 564 G HA3 0.268 4.228 3.960 -0.000 0.000 0.349 564 G C -0.817 173.297 174.900 -1.310 0.000 1.274 564 G CA -0.660 43.624 45.100 -1.360 0.000 1.018 564 G HN 0.383 nan 8.290 nan 0.000 0.486 565 G N -2.042 106.255 108.800 -0.838 0.000 2.506 565 G HA2 0.696 4.656 3.960 -0.000 0.000 0.292 565 G HA3 0.696 4.656 3.960 -0.000 0.000 0.292 565 G C -2.003 172.828 174.900 -0.113 0.000 1.425 565 G CA -0.498 44.270 45.100 -0.553 0.000 0.788 565 G HN 1.102 nan 8.290 nan 0.000 0.490 566 F N 0.591 120.716 119.950 0.292 0.000 2.496 566 F HA 0.500 5.027 4.527 -0.000 0.000 0.341 566 F C 0.604 176.798 175.800 0.657 0.000 1.134 566 F CA -0.818 57.464 58.000 0.470 0.000 0.968 566 F CB 2.017 41.194 39.000 0.295 0.000 1.205 566 F HN 0.275 nan 8.300 nan 0.000 0.436 567 V N 3.169 123.560 119.914 0.795 0.000 2.872 567 V HA -0.107 4.013 4.120 -0.000 0.000 0.307 567 V C -0.261 176.142 176.094 0.514 0.000 1.072 567 V CA -0.186 62.384 62.300 0.451 0.000 1.148 567 V CB 0.826 32.901 31.823 0.420 0.000 0.954 567 V HN 0.799 nan 8.190 nan 0.000 0.490 568 W N 5.813 127.312 121.300 0.330 0.000 2.411 568 W HA 0.458 5.118 4.660 -0.000 0.000 0.317 568 W C -0.940 175.762 176.519 0.304 0.000 1.030 568 W CA -0.770 56.796 57.345 0.368 0.000 1.239 568 W CB 1.748 31.533 29.460 0.542 0.000 1.304 568 W HN 0.909 nan 8.180 nan 0.000 0.437 569 D N 3.162 123.270 120.400 -0.487 0.000 2.961 569 D HA 0.188 4.828 4.640 -0.000 0.000 0.257 569 D C 0.650 176.784 176.300 -0.276 0.000 1.211 569 D CA -0.351 53.213 54.000 -0.725 0.000 1.066 569 D CB 0.104 39.864 40.800 -1.733 0.000 1.291 569 D HN 0.444 nan 8.370 nan 0.000 0.629 570 W N 0.263 121.296 121.300 -0.444 0.000 2.630 570 W HA 0.304 4.964 4.660 -0.000 0.000 0.275 570 W C -0.756 175.581 176.519 -0.304 0.000 1.192 570 W CA 0.293 57.439 57.345 -0.331 0.000 1.410 570 W CB 0.596 29.887 29.460 -0.281 0.000 1.075 570 W HN 0.097 nan 8.180 nan 0.000 0.581 571 V N 2.245 121.969 119.914 -0.316 0.000 2.789 571 V HA 0.263 4.383 4.120 -0.000 0.000 0.311 571 V C -0.552 175.355 176.094 -0.311 0.000 1.073 571 V CA -1.009 61.065 62.300 -0.378 0.000 0.921 571 V CB 1.540 33.270 31.823 -0.155 0.000 1.009 571 V HN -0.166 nan 8.190 nan 0.000 0.426 572 D N 2.078 122.299 120.400 -0.298 0.000 2.414 572 D HA 0.112 4.752 4.640 -0.000 0.000 0.242 572 D C 0.210 176.338 176.300 -0.287 0.000 1.129 572 D CA 0.404 54.270 54.000 -0.224 0.000 0.885 572 D CB 1.159 41.910 40.800 -0.082 0.000 1.198 572 D HN 0.593 nan 8.370 nan 0.000 0.437 573 Q N 1.027 120.625 119.800 -0.336 0.000 3.135 573 Q HA 0.145 4.485 4.340 -0.000 0.000 0.344 573 Q C -0.466 175.490 176.000 -0.073 0.000 1.321 573 Q CA -0.351 55.099 55.803 -0.589 0.000 1.050 573 Q CB 0.169 28.657 28.738 -0.417 0.000 1.498 573 Q HN 0.356 nan 8.270 nan 0.000 0.503 574 S N -0.159 115.584 115.700 0.071 0.000 2.565 574 S HA 0.674 5.144 4.470 -0.000 0.000 0.290 574 S C -0.194 174.565 174.600 0.266 0.000 1.150 574 S CA -0.806 57.558 58.200 0.272 0.000 1.058 574 S CB 1.618 64.946 63.200 0.213 0.000 1.032 574 S HN 0.289 nan 8.310 nan 0.000 0.510 575 L N 1.494 122.807 121.223 0.151 0.000 2.313 575 L HA 0.623 4.963 4.340 -0.000 0.000 0.268 575 L C -0.529 176.227 176.870 -0.192 0.000 1.010 575 L CA -1.098 53.710 54.840 -0.053 0.000 0.814 575 L CB 1.213 43.154 42.059 -0.196 0.000 1.304 575 L HN 0.591 nan 8.230 nan 0.000 0.441 576 I N 1.180 121.571 120.570 -0.297 0.000 2.385 576 I HA 0.276 4.446 4.170 -0.000 0.000 0.294 576 I C 0.116 175.761 176.117 -0.788 0.000 0.988 576 I CA 0.245 61.230 61.300 -0.524 0.000 1.265 576 I CB 0.916 38.653 38.000 -0.439 0.000 1.388 576 I HN 0.524 nan 8.210 nan 0.000 0.480 577 K N 4.577 124.192 120.400 -1.308 0.000 2.270 577 K HA 0.617 4.937 4.320 -0.000 0.000 0.248 577 K C -1.659 174.037 176.600 -1.507 0.000 1.076 577 K CA -0.854 54.574 56.287 -1.432 0.000 0.957 577 K CB 1.547 33.005 32.500 -1.737 0.000 1.400 577 K HN 0.261 nan 8.250 nan 0.000 0.573 578 Y N 0.955 121.100 120.300 -0.259 0.000 2.399 578 Y HA 0.109 4.659 4.550 -0.000 0.000 0.327 578 Y C -0.969 175.105 175.900 0.290 0.000 1.111 578 Y CA -1.628 56.523 58.100 0.086 0.000 1.047 578 Y CB 1.215 39.669 38.460 -0.011 0.000 1.259 578 Y HN 0.605 nan 8.280 nan 0.000 0.434 579 D N 0.313 120.973 120.400 0.433 0.000 2.329 579 D HA 0.137 4.777 4.640 -0.000 0.000 0.246 579 D C 0.582 176.974 176.300 0.153 0.000 1.111 579 D CA -0.501 53.630 54.000 0.218 0.000 0.941 579 D CB 0.891 41.753 40.800 0.103 0.000 1.169 579 D HN 0.661 nan 8.370 nan 0.000 0.441 580 E N -0.087 120.162 120.200 0.082 0.000 2.324 580 E HA -0.258 4.092 4.350 -0.000 0.000 0.205 580 E C 0.468 177.094 176.600 0.044 0.000 1.031 580 E CA 1.214 57.643 56.400 0.048 0.000 0.836 580 E CB -0.366 29.346 29.700 0.020 0.000 0.742 580 E HN 0.434 nan 8.360 nan 0.000 0.491 581 N N 0.027 118.762 118.700 0.059 0.000 2.279 581 N HA 0.087 4.827 4.740 -0.000 0.000 0.226 581 N C 0.275 175.823 175.510 0.063 0.000 1.126 581 N CA 0.549 53.628 53.050 0.047 0.000 0.846 581 N CB 1.265 39.776 38.487 0.040 0.000 1.050 581 N HN 0.192 nan 8.380 nan 0.000 0.502 582 G N 1.890 110.741 108.800 0.086 0.000 2.350 582 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.298 582 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.298 582 G C -0.484 174.531 174.900 0.192 0.000 1.037 582 G CA -0.154 44.999 45.100 0.087 0.000 1.074 582 G HN 0.339 nan 8.290 nan 0.000 0.511 583 N N 0.825 119.691 118.700 0.276 0.000 2.372 583 N HA 0.461 5.201 4.740 -0.000 0.000 0.291 583 N C -2.843 172.851 175.510 0.306 0.000 1.024 583 N CA -1.400 51.805 53.050 0.259 0.000 0.873 583 N CB 2.682 41.268 38.487 0.165 0.000 1.206 583 N HN 0.064 nan 8.380 nan 0.000 0.486 584 P HA 0.218 nan 4.420 nan 0.000 0.287 584 P C -0.643 176.581 177.300 -0.127 0.000 1.294 584 P CA -0.244 62.722 63.100 -0.224 0.000 0.776 584 P CB 0.189 31.819 31.700 -0.118 0.000 0.889 585 W N 1.288 122.317 121.300 -0.451 0.000 2.900 585 W HA 0.367 5.027 4.660 -0.000 0.000 0.336 585 W C -1.080 175.204 176.519 -0.392 0.000 1.064 585 W CA -1.136 55.942 57.345 -0.445 0.000 1.237 585 W CB 0.200 29.178 29.460 -0.802 0.000 1.391 585 W HN 0.119 nan 8.180 nan 0.000 0.468 586 S N 2.529 118.179 115.700 -0.084 0.000 2.737 586 S HA 0.286 4.756 4.470 -0.000 0.000 0.315 586 S C 0.497 175.134 174.600 0.062 0.000 1.236 586 S CA 0.468 58.645 58.200 -0.037 0.000 1.093 586 S CB 0.122 63.388 63.200 0.110 0.000 0.832 586 S HN 0.589 nan 8.310 nan 0.000 0.507 587 A N 3.248 125.974 122.820 -0.157 0.000 2.294 587 A HA 0.859 5.179 4.320 -0.000 0.000 0.330 587 A C -0.480 177.320 177.584 0.361 0.000 1.133 587 A CA -0.694 51.296 52.037 -0.079 0.000 0.836 587 A CB 0.671 19.358 19.000 -0.522 0.000 1.190 587 A HN 0.889 nan 8.150 nan 0.000 0.492 588 Y N -1.336 119.230 120.300 0.445 0.000 2.829 588 Y HA 0.681 5.231 4.550 -0.000 0.000 0.322 588 Y C 0.424 176.603 175.900 0.465 0.000 1.357 588 Y CA -1.560 56.798 58.100 0.431 0.000 1.081 588 Y CB 0.117 38.688 38.460 0.185 0.000 1.339 588 Y HN 1.102 nan 8.280 nan 0.000 0.469 589 G N 0.725 109.870 108.800 0.575 0.000 2.147 589 G HA2 0.382 4.342 3.960 -0.000 0.000 0.269 589 G HA3 0.382 4.342 3.960 -0.000 0.000 0.269 589 G C 0.969 176.204 174.900 0.559 0.000 0.912 589 G CA 0.878 46.232 45.100 0.423 0.000 1.057 589 G HN 2.114 nan 8.290 nan 0.000 0.364 590 G N 2.562 111.678 108.800 0.526 0.000 2.238 590 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.217 590 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.217 590 G C 0.780 175.895 174.900 0.359 0.000 0.996 590 G CA 0.423 45.766 45.100 0.405 0.000 0.632 590 G HN 0.633 nan 8.290 nan 0.000 0.503 591 D N -0.064 120.561 120.400 0.375 0.000 2.400 591 D HA 0.200 4.840 4.640 -0.000 0.000 0.242 591 D C 0.929 177.129 176.300 -0.166 0.000 1.077 591 D CA 0.593 54.645 54.000 0.086 0.000 0.943 591 D CB -0.283 40.488 40.800 -0.047 0.000 0.882 591 D HN 0.488 nan 8.370 nan 0.000 0.529 592 F N -1.715 118.343 119.950 0.179 0.000 2.899 592 F HA 0.269 4.796 4.527 -0.000 0.000 0.337 592 F C 1.691 177.568 175.800 0.127 0.000 1.129 592 F CA -0.168 57.906 58.000 0.124 0.000 1.128 592 F CB 0.932 39.998 39.000 0.110 0.000 1.154 592 F HN -0.031 nan 8.300 nan 0.000 0.531 593 G N 0.754 109.725 108.800 0.285 0.000 2.175 593 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.244 593 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.244 593 G C -0.144 174.892 174.900 0.228 0.000 0.982 593 G CA 0.022 45.248 45.100 0.211 0.000 0.641 593 G HN 0.427 nan 8.290 nan 0.000 0.527 594 D N 0.879 121.459 120.400 0.301 0.000 2.450 594 D HA 0.400 5.040 4.640 -0.000 0.000 0.247 594 D C -0.241 176.189 176.300 0.217 0.000 1.162 594 D CA 0.766 54.934 54.000 0.279 0.000 0.879 594 D CB 1.082 42.097 40.800 0.359 0.000 1.163 594 D HN 0.086 nan 8.370 nan 0.000 0.472 595 T N 2.942 117.599 114.554 0.172 0.000 2.971 595 T HA 0.450 4.800 4.350 -0.000 0.000 0.304 595 T C -2.229 172.529 174.700 0.096 0.000 1.038 595 T CA -0.902 61.272 62.100 0.123 0.000 1.007 595 T CB 2.050 70.984 68.868 0.109 0.000 1.055 595 T HN 0.437 nan 8.240 nan 0.000 0.451 596 P HA 0.546 nan 4.420 nan 0.000 0.284 596 P C -1.169 176.156 177.300 0.041 0.000 1.292 596 P CA -0.696 62.429 63.100 0.042 0.000 0.800 596 P CB 0.859 32.554 31.700 -0.007 0.000 1.188 597 N N -1.639 117.089 118.700 0.048 0.000 2.732 597 N HA 0.163 4.903 4.740 -0.000 0.000 0.259 597 N C -1.218 174.325 175.510 0.056 0.000 1.402 597 N CA -0.529 52.559 53.050 0.063 0.000 0.829 597 N CB 1.403 40.015 38.487 0.208 0.000 1.495 597 N HN 0.235 nan 8.380 nan 0.000 0.511 598 D N 0.206 120.681 120.400 0.126 0.000 2.755 598 D HA 0.152 4.792 4.640 -0.000 0.000 0.257 598 D C 0.457 176.995 176.300 0.395 0.000 1.291 598 D CA -0.170 53.956 54.000 0.210 0.000 0.836 598 D CB 0.894 41.664 40.800 -0.050 0.000 1.059 598 D HN 0.582 nan 8.370 nan 0.000 0.486 599 R N 0.453 121.121 120.500 0.280 0.000 3.682 599 R HA -0.364 3.976 4.340 -0.000 0.000 0.519 599 R C 1.023 177.198 176.300 -0.209 0.000 0.241 599 R CA 1.699 57.883 56.100 0.140 0.000 1.619 599 R CB -1.429 28.866 30.300 -0.009 0.000 0.923 599 R HN 0.151 nan 8.270 nan 0.000 0.598 600 Q N 0.341 119.722 119.800 -0.699 0.000 2.444 600 Q HA 0.181 4.521 4.340 -0.000 0.000 0.206 600 Q C 1.140 176.806 176.000 -0.558 0.000 0.948 600 Q CA 0.847 56.072 55.803 -0.964 0.000 0.946 600 Q CB 0.031 27.998 28.738 -1.284 0.000 1.027 600 Q HN 0.438 nan 8.270 nan 0.000 0.513 601 F N 0.853 120.618 119.950 -0.309 0.000 2.771 601 F HA -0.013 4.514 4.527 -0.000 0.000 0.299 601 F C 1.435 177.162 175.800 -0.121 0.000 1.177 601 F CA -0.211 57.720 58.000 -0.115 0.000 1.450 601 F CB -0.031 38.990 39.000 0.034 0.000 1.114 601 F HN 0.432 nan 8.300 nan 0.000 0.587 602 C N -1.353 117.705 119.300 -0.404 0.000 2.697 602 C HA 0.364 4.824 4.460 -0.000 0.000 0.267 602 C C 0.802 175.614 174.990 -0.297 0.000 1.278 602 C CA -0.531 58.133 59.018 -0.590 0.000 1.708 602 C CB -1.652 25.071 27.740 -1.695 0.000 1.860 602 C HN 0.142 nan 8.230 nan 0.000 0.589 603 M N 3.014 122.477 119.600 -0.227 0.000 2.044 603 M HA 0.385 4.865 4.480 -0.000 0.000 0.333 603 M C -0.457 175.747 176.300 -0.160 0.000 1.004 603 M CA 0.224 55.417 55.300 -0.178 0.000 0.954 603 M CB 0.771 33.287 32.600 -0.141 0.000 1.468 603 M HN 0.197 nan 8.290 nan 0.000 0.414 604 N N 1.554 120.155 118.700 -0.164 0.000 2.110 604 N HA 0.115 4.855 4.740 -0.000 0.000 0.230 604 N C 0.320 175.654 175.510 -0.293 0.000 1.353 604 N CA -0.125 52.813 53.050 -0.188 0.000 0.807 604 N CB 1.073 39.617 38.487 0.095 0.000 1.244 604 N HN 0.778 nan 8.380 nan 0.000 0.504 605 G N 0.276 108.847 108.800 -0.382 0.000 2.699 605 G HA2 0.261 4.221 3.960 -0.000 0.000 0.246 605 G HA3 0.261 4.221 3.960 -0.000 0.000 0.246 605 G C 0.896 175.372 174.900 -0.708 0.000 1.219 605 G CA -0.253 44.519 45.100 -0.547 0.000 0.866 605 G HN 0.161 nan 8.290 nan 0.000 0.572 606 L N -0.212 120.587 121.223 -0.707 0.000 2.590 606 L HA 0.220 4.560 4.340 -0.000 0.000 0.227 606 L C 0.670 177.016 176.870 -0.873 0.000 1.099 606 L CA 0.135 54.605 54.840 -0.617 0.000 0.872 606 L CB 0.261 42.120 42.059 -0.334 0.000 1.088 606 L HN 0.430 nan 8.230 nan 0.000 0.479 607 V N -4.860 114.418 119.914 -1.060 0.000 3.078 607 V HA 0.528 4.648 4.120 -0.000 0.000 0.311 607 V C -0.616 175.058 176.094 -0.700 0.000 1.138 607 V CA -1.047 60.751 62.300 -0.837 0.000 1.007 607 V CB 2.043 33.387 31.823 -0.798 0.000 1.045 607 V HN -0.148 nan 8.190 nan 0.000 0.432 608 F N 1.692 121.523 119.950 -0.199 0.000 2.410 608 F HA 0.651 5.178 4.527 -0.000 0.000 0.334 608 F C 1.780 177.499 175.800 -0.134 0.000 1.134 608 F CA 0.465 58.438 58.000 -0.045 0.000 1.227 608 F CB 1.468 40.475 39.000 0.012 0.000 1.194 608 F HN 0.827 nan 8.300 nan 0.000 0.571 609 A N 1.109 124.010 122.820 0.136 0.000 2.204 609 A HA -0.237 4.083 4.320 -0.000 0.000 0.220 609 A C 1.305 178.893 177.584 0.006 0.000 1.165 609 A CA 1.974 54.045 52.037 0.057 0.000 0.671 609 A CB -1.219 17.845 19.000 0.106 0.000 0.792 609 A HN 0.811 nan 8.150 nan 0.000 0.473 610 D N -3.631 116.789 120.400 0.034 0.000 2.368 610 D HA 0.311 4.951 4.640 -0.000 0.000 0.218 610 D C 0.516 176.818 176.300 0.003 0.000 1.112 610 D CA -0.408 53.579 54.000 -0.022 0.000 0.834 610 D CB 0.072 40.847 40.800 -0.043 0.000 0.953 610 D HN 0.138 nan 8.370 nan 0.000 0.505 611 R N -0.727 119.771 120.500 -0.003 0.000 3.527 611 R HA -0.112 4.228 4.340 -0.000 0.000 0.288 611 R C -0.766 175.538 176.300 0.007 0.000 1.146 611 R CA 1.177 57.258 56.100 -0.031 0.000 0.778 611 R CB -3.190 27.130 30.300 0.034 0.000 1.289 611 R HN 0.528 nan 8.270 nan 0.000 0.454 612 T N -2.240 112.361 114.554 0.079 0.000 2.786 612 T HA 0.684 5.034 4.350 -0.000 0.000 0.283 612 T C -2.352 172.499 174.700 0.252 0.000 0.992 612 T CA -2.425 59.764 62.100 0.149 0.000 0.954 612 T CB 2.564 71.505 68.868 0.122 0.000 0.934 612 T HN -0.219 nan 8.240 nan 0.000 0.440 613 P HA 0.137 nan 4.420 nan 0.000 0.271 613 P C -0.472 176.902 177.300 0.123 0.000 1.228 613 P CA -0.044 63.069 63.100 0.020 0.000 0.797 613 P CB 0.280 31.993 31.700 0.023 0.000 0.914 614 H N -0.513 118.404 119.070 -0.255 0.000 2.670 614 H HA 0.317 4.873 4.556 -0.000 0.000 0.361 614 H C -1.524 173.710 175.328 -0.158 0.000 1.169 614 H CA -2.035 53.835 56.048 -0.296 0.000 1.198 614 H CB 0.324 29.871 29.762 -0.358 0.000 1.700 614 H HN 0.218 nan 8.280 nan 0.000 0.542 615 P HA -0.091 nan 4.420 nan 0.000 0.222 615 P C 0.934 178.214 177.300 -0.034 0.000 1.147 615 P CA 1.455 64.527 63.100 -0.047 0.000 0.790 615 P CB 0.130 31.789 31.700 -0.069 0.000 0.780 616 A N 0.092 122.893 122.820 -0.032 0.000 1.902 616 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 616 A C 2.096 179.616 177.584 -0.106 0.000 1.181 616 A CA 1.314 53.295 52.037 -0.095 0.000 0.623 616 A CB -1.689 17.233 19.000 -0.130 0.000 0.818 616 A HN 0.171 nan 8.150 nan 0.000 0.443 617 L N -0.066 121.119 121.223 -0.063 0.000 2.211 617 L HA -0.223 4.117 4.340 -0.000 0.000 0.216 617 L C 2.347 179.236 176.870 0.030 0.000 1.092 617 L CA 2.666 57.501 54.840 -0.008 0.000 0.767 617 L CB -0.739 41.325 42.059 0.009 0.000 0.894 617 L HN 0.394 nan 8.230 nan 0.000 0.437 618 T N -1.471 113.100 114.554 0.030 0.000 2.896 618 T HA -0.132 4.217 4.350 -0.000 0.000 0.263 618 T C 1.669 176.420 174.700 0.085 0.000 1.050 618 T CA 1.130 63.294 62.100 0.106 0.000 1.140 618 T CB -0.043 68.882 68.868 0.095 0.000 0.877 618 T HN 0.342 nan 8.240 nan 0.000 0.457 619 E N 1.812 122.001 120.200 -0.018 0.000 2.038 619 E HA -0.072 4.278 4.350 -0.000 0.000 0.195 619 E C 2.249 178.753 176.600 -0.160 0.000 1.000 619 E CA 1.553 57.917 56.400 -0.060 0.000 0.803 619 E CB -0.617 29.008 29.700 -0.125 0.000 0.750 619 E HN 0.402 nan 8.360 nan 0.000 0.448 620 A N 1.104 123.727 122.820 -0.329 0.000 1.883 620 A HA -0.289 4.031 4.320 -0.000 0.000 0.217 620 A C 2.205 179.623 177.584 -0.277 0.000 1.186 620 A CA 2.273 54.081 52.037 -0.381 0.000 0.624 620 A CB -0.767 18.063 19.000 -0.285 0.000 0.822 620 A HN 0.316 nan 8.150 nan 0.000 0.444 621 K N -1.179 119.142 120.400 -0.131 0.000 2.044 621 K HA -0.282 4.037 4.320 -0.000 0.000 0.210 621 K C 2.140 178.577 176.600 -0.272 0.000 1.049 621 K CA 1.923 58.145 56.287 -0.109 0.000 0.927 621 K CB -0.448 32.123 32.500 0.118 0.000 0.713 621 K HN 0.760 nan 8.250 nan 0.000 0.443 622 H N -0.143 118.691 119.070 -0.393 0.000 2.357 622 H HA -0.058 4.498 4.556 -0.000 0.000 0.301 622 H C 1.871 176.888 175.328 -0.518 0.000 1.082 622 H CA 1.385 57.031 56.048 -0.671 0.000 1.342 622 H CB 0.347 29.656 29.762 -0.755 0.000 1.389 622 H HN 0.322 nan 8.280 nan 0.000 0.511 623 Q N 0.512 120.013 119.800 -0.498 0.000 2.224 623 Q HA -0.108 4.232 4.340 -0.000 0.000 0.203 623 Q C 1.868 177.318 176.000 -0.916 0.000 0.970 623 Q CA 1.002 56.453 55.803 -0.588 0.000 0.865 623 Q CB -0.058 28.513 28.738 -0.278 0.000 0.922 623 Q HN 0.705 nan 8.270 nan 0.000 0.445 624 Q N 0.900 120.120 119.800 -0.968 0.000 2.403 624 Q HA 0.007 4.347 4.340 -0.000 0.000 0.203 624 Q C 0.301 175.680 176.000 -1.036 0.000 0.932 624 Q CA -0.234 54.888 55.803 -1.135 0.000 0.945 624 Q CB 0.154 28.276 28.738 -1.027 0.000 1.045 624 Q HN 0.423 nan 8.270 nan 0.000 0.511 625 Q N -0.208 119.115 119.800 -0.796 0.000 2.369 625 Q HA -0.079 4.261 4.340 -0.000 0.000 0.295 625 Q C -0.404 175.121 176.000 -0.792 0.000 1.075 625 Q CA 0.374 55.782 55.803 -0.659 0.000 0.941 625 Q CB 0.339 28.877 28.738 -0.332 0.000 1.260 625 Q HN 0.172 nan 8.270 nan 0.000 0.417 626 F N 0.721 120.435 119.950 -0.393 0.000 2.811 626 F HA 0.282 4.809 4.527 -0.000 0.000 0.301 626 F C -0.238 175.023 175.800 -0.897 0.000 1.151 626 F CA -0.020 57.508 58.000 -0.787 0.000 1.412 626 F CB 0.208 38.321 39.000 -1.479 0.000 1.113 626 F HN 0.331 nan 8.300 nan 0.000 0.579 627 F N -0.291 119.510 119.950 -0.248 0.000 2.563 627 F HA 0.537 5.064 4.527 -0.000 0.000 0.316 627 F C -0.127 175.319 175.800 -0.589 0.000 1.076 627 F CA -1.111 56.663 58.000 -0.377 0.000 0.921 627 F CB 1.436 40.217 39.000 -0.366 0.000 1.209 627 F HN -0.338 nan 8.300 nan 0.000 0.462 628 Q N 2.203 121.700 119.800 -0.505 0.000 2.413 628 Q HA 0.614 4.954 4.340 -0.000 0.000 0.276 628 Q C -1.648 173.978 176.000 -0.623 0.000 1.099 628 Q CA -0.784 54.756 55.803 -0.438 0.000 0.814 628 Q CB 3.322 31.968 28.738 -0.154 0.000 1.379 628 Q HN 0.578 nan 8.270 nan 0.000 0.436 629 F N -0.079 120.002 119.950 0.218 0.000 2.581 629 F HA 0.553 5.080 4.527 -0.000 0.000 0.311 629 F C 0.186 176.230 175.800 0.407 0.000 1.113 629 F CA -0.774 57.429 58.000 0.340 0.000 0.935 629 F CB 2.067 41.384 39.000 0.529 0.000 1.232 629 F HN 0.109 nan 8.300 nan 0.000 0.445 630 R N 1.761 122.549 120.500 0.480 0.000 2.740 630 R HA 0.772 5.112 4.340 -0.000 0.000 0.282 630 R C -1.833 174.509 176.300 0.069 0.000 0.969 630 R CA -1.282 55.008 56.100 0.316 0.000 0.918 630 R CB 2.920 33.318 30.300 0.163 0.000 1.175 630 R HN 0.639 nan 8.270 nan 0.000 0.464 631 L N 0.304 121.438 121.223 -0.147 0.000 2.362 631 L HA 0.539 4.879 4.340 -0.000 0.000 0.271 631 L C -1.102 175.616 176.870 -0.254 0.000 1.002 631 L CA 0.021 54.574 54.840 -0.478 0.000 0.818 631 L CB 2.319 43.661 42.059 -1.194 0.000 1.298 631 L HN 0.464 nan 8.230 nan 0.000 0.420 632 S N 2.758 118.323 115.700 -0.226 0.000 2.720 632 S HA 0.673 5.143 4.470 -0.000 0.000 0.278 632 S C 0.224 174.734 174.600 -0.149 0.000 1.172 632 S CA -0.045 58.070 58.200 -0.142 0.000 1.019 632 S CB 1.148 64.299 63.200 -0.082 0.000 1.049 632 S HN 1.354 nan 8.310 nan 0.000 0.483 633 G N 4.014 112.734 108.800 -0.133 0.000 2.660 633 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.321 633 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.321 633 G C 0.133 174.934 174.900 -0.164 0.000 1.246 633 G CA 1.176 46.202 45.100 -0.124 0.000 1.000 633 G HN 0.732 nan 8.290 nan 0.000 0.550 634 Q N 0.989 120.699 119.800 -0.151 0.000 2.189 634 Q HA 0.432 4.772 4.340 -0.000 0.000 0.221 634 Q C 0.110 175.992 176.000 -0.197 0.000 0.848 634 Q CA 0.752 56.443 55.803 -0.187 0.000 1.007 634 Q CB 0.522 29.160 28.738 -0.167 0.000 1.116 634 Q HN 0.592 nan 8.270 nan 0.000 0.481 635 T N -0.407 114.039 114.554 -0.180 0.000 2.792 635 T HA 0.604 4.954 4.350 -0.000 0.000 0.280 635 T C -0.113 174.483 174.700 -0.173 0.000 0.990 635 T CA -0.582 61.428 62.100 -0.149 0.000 0.960 635 T CB 1.331 70.144 68.868 -0.091 0.000 0.939 635 T HN 0.124 nan 8.240 nan 0.000 0.439 636 I N 2.906 123.397 120.570 -0.133 0.000 2.297 636 I HA 0.241 4.411 4.170 -0.000 0.000 0.291 636 I C 0.664 176.813 176.117 0.053 0.000 1.033 636 I CA -0.518 60.738 61.300 -0.073 0.000 1.253 636 I CB 0.873 38.869 38.000 -0.006 0.000 1.396 636 I HN 0.705 nan 8.210 nan 0.000 0.476 637 E N 7.273 127.519 120.200 0.077 0.000 2.130 637 E HA 0.337 4.687 4.350 -0.000 0.000 0.284 637 E C -1.411 175.284 176.600 0.158 0.000 1.018 637 E CA -0.516 55.943 56.400 0.098 0.000 0.817 637 E CB 1.405 31.142 29.700 0.063 0.000 1.078 637 E HN 0.341 nan 8.360 nan 0.000 0.396 638 V N 4.551 124.549 119.914 0.140 0.000 2.427 638 V HA 0.272 4.392 4.120 -0.000 0.000 0.286 638 V C -0.019 176.093 176.094 0.029 0.000 1.034 638 V CA -0.418 61.929 62.300 0.078 0.000 0.893 638 V CB 1.823 33.725 31.823 0.131 0.000 0.982 638 V HN 0.739 nan 8.190 nan 0.000 0.452 639 T N 3.435 117.954 114.554 -0.057 0.000 2.797 639 T HA 0.319 4.669 4.350 -0.000 0.000 0.279 639 T C -0.106 174.549 174.700 -0.075 0.000 0.991 639 T CA -0.265 61.811 62.100 -0.040 0.000 0.979 639 T CB 1.533 70.370 68.868 -0.053 0.000 0.943 639 T HN 0.612 nan 8.240 nan 0.000 0.444 640 S N 1.654 117.309 115.700 -0.076 0.000 2.499 640 S HA 0.221 4.691 4.470 -0.000 0.000 0.279 640 S C 0.647 175.098 174.600 -0.249 0.000 1.219 640 S CA -0.585 57.476 58.200 -0.231 0.000 1.062 640 S CB 0.453 63.587 63.200 -0.110 0.000 0.978 640 S HN 0.710 nan 8.310 nan 0.000 0.489 641 E N 3.111 123.075 120.200 -0.394 0.000 2.496 641 E HA 0.111 4.461 4.350 -0.000 0.000 0.200 641 E C -1.036 175.389 176.600 -0.292 0.000 1.016 641 E CA -0.106 56.135 56.400 -0.265 0.000 0.962 641 E CB 0.378 29.961 29.700 -0.194 0.000 1.071 641 E HN 0.587 nan 8.360 nan 0.000 0.457 642 Y N 0.289 120.432 120.300 -0.261 0.000 2.299 642 Y HA 0.140 4.690 4.550 -0.000 0.000 0.326 642 Y C 1.209 176.892 175.900 -0.362 0.000 1.164 642 Y CA -0.193 57.703 58.100 -0.340 0.000 1.234 642 Y CB 0.838 39.087 38.460 -0.351 0.000 1.219 642 Y HN -0.026 nan 8.280 nan 0.000 0.497 643 L N 1.191 122.199 121.223 -0.359 0.000 2.470 643 L HA 0.068 4.408 4.340 -0.000 0.000 0.219 643 L C 0.539 176.799 176.870 -1.016 0.000 1.071 643 L CA 0.626 54.949 54.840 -0.862 0.000 0.850 643 L CB 0.106 41.247 42.059 -1.530 0.000 1.040 643 L HN 0.548 nan 8.230 nan 0.000 0.475 644 F N -1.028 118.897 119.950 -0.042 0.000 2.819 644 F HA 0.235 4.762 4.527 -0.000 0.000 0.325 644 F C 1.252 177.004 175.800 -0.080 0.000 1.041 644 F CA -0.675 57.282 58.000 -0.073 0.000 1.184 644 F CB 0.136 39.072 39.000 -0.107 0.000 1.019 644 F HN -0.134 nan 8.300 nan 0.000 0.590 645 R N 0.090 120.579 120.500 -0.018 0.000 2.782 645 R HA 0.503 4.843 4.340 -0.000 0.000 0.258 645 R C -1.328 174.950 176.300 -0.037 0.000 1.055 645 R CA -0.525 55.530 56.100 -0.075 0.000 1.065 645 R CB 1.107 31.268 30.300 -0.232 0.000 1.172 645 R HN 0.135 nan 8.270 nan 0.000 0.510 646 H N -0.209 118.819 119.070 -0.070 0.000 2.499 646 H HA 0.250 4.806 4.556 -0.000 0.000 0.340 646 H C -0.692 174.653 175.328 0.028 0.000 1.148 646 H CA -0.419 55.632 56.048 0.004 0.000 1.215 646 H CB 1.661 31.435 29.762 0.020 0.000 1.529 646 H HN 0.720 nan 8.280 nan 0.000 0.510 647 S N 3.110 118.609 115.700 -0.335 0.000 2.519 647 S HA 0.017 4.487 4.470 -0.000 0.000 0.320 647 S C -0.146 174.541 174.600 0.145 0.000 1.179 647 S CA -0.205 58.024 58.200 0.048 0.000 1.173 647 S CB -0.355 62.918 63.200 0.121 0.000 1.224 647 S HN 0.723 nan 8.310 nan 0.000 0.542 648 D N 0.738 121.228 120.400 0.149 0.000 2.571 648 D HA 0.130 4.770 4.640 -0.000 0.000 0.239 648 D C 0.168 176.523 176.300 0.091 0.000 1.267 648 D CA -0.445 53.644 54.000 0.148 0.000 0.823 648 D CB -0.215 40.675 40.800 0.148 0.000 1.056 648 D HN 0.448 nan 8.370 nan 0.000 0.494 649 N N 0.088 118.844 118.700 0.094 0.000 2.423 649 N HA 0.079 4.819 4.740 -0.000 0.000 0.262 649 N C -1.281 174.281 175.510 0.087 0.000 1.467 649 N CA -0.009 53.085 53.050 0.073 0.000 0.847 649 N CB 0.518 39.038 38.487 0.055 0.000 1.394 649 N HN -0.069 nan 8.380 nan 0.000 0.495 650 E N 0.255 120.504 120.200 0.082 0.000 2.187 650 E HA 0.471 4.821 4.350 -0.000 0.000 0.268 650 E C -1.366 175.225 176.600 -0.016 0.000 0.896 650 E CA -0.582 55.840 56.400 0.037 0.000 0.766 650 E CB 1.823 31.535 29.700 0.020 0.000 1.142 650 E HN 0.041 nan 8.360 nan 0.000 0.408 651 L N 4.125 125.303 121.223 -0.075 0.000 2.372 651 L HA 0.449 4.789 4.340 -0.000 0.000 0.273 651 L C -1.622 175.148 176.870 -0.167 0.000 0.989 651 L CA -0.954 53.812 54.840 -0.123 0.000 0.841 651 L CB 1.326 43.261 42.059 -0.208 0.000 1.225 651 L HN 0.532 nan 8.230 nan 0.000 0.414 652 L N 5.681 126.881 121.223 -0.039 0.000 2.313 652 L HA 0.354 4.694 4.340 -0.000 0.000 0.282 652 L C -0.606 176.363 176.870 0.164 0.000 1.092 652 L CA 0.422 55.294 54.840 0.055 0.000 0.831 652 L CB 0.230 42.380 42.059 0.151 0.000 1.159 652 L HN 0.587 nan 8.230 nan 0.000 0.442 653 H N 6.379 125.491 119.070 0.069 0.000 2.595 653 H HA 0.293 4.849 4.556 -0.000 0.000 0.313 653 H C -0.985 174.383 175.328 0.067 0.000 1.023 653 H CA -0.811 55.234 56.048 -0.006 0.000 1.218 653 H CB 0.702 30.440 29.762 -0.040 0.000 1.403 653 H HN 0.732 nan 8.280 nan 0.000 0.477 654 W N 4.683 126.068 121.300 0.142 0.000 2.576 654 W HA 0.629 5.289 4.660 -0.000 0.000 0.360 654 W C -1.371 175.180 176.519 0.054 0.000 1.109 654 W CA -1.375 56.029 57.345 0.099 0.000 1.237 654 W CB 1.555 31.072 29.460 0.096 0.000 1.369 654 W HN 0.490 nan 8.180 nan 0.000 0.609 655 M N 2.642 122.592 119.600 0.584 0.000 2.342 655 M HA 0.311 4.791 4.480 -0.000 0.000 0.276 655 M C -2.513 174.031 176.300 0.408 0.000 1.054 655 M CA -0.332 55.183 55.300 0.359 0.000 0.930 655 M CB 1.553 34.169 32.600 0.028 0.000 1.929 655 M HN 0.211 nan 8.290 nan 0.000 0.492 656 V N 3.891 124.060 119.914 0.427 0.000 2.439 656 V HA 0.973 5.093 4.120 -0.000 0.000 0.282 656 V C 0.019 176.231 176.094 0.195 0.000 1.039 656 V CA -0.078 62.399 62.300 0.295 0.000 0.913 656 V CB 1.141 33.123 31.823 0.265 0.000 0.983 656 V HN 0.908 nan 8.190 nan 0.000 0.460 657 A N 4.924 127.859 122.820 0.191 0.000 2.520 657 A HA 0.783 5.103 4.320 -0.000 0.000 0.298 657 A C -1.528 176.161 177.584 0.174 0.000 1.051 657 A CA -0.576 51.538 52.037 0.129 0.000 0.690 657 A CB 1.611 20.635 19.000 0.041 0.000 1.281 657 A HN 0.644 nan 8.150 nan 0.000 0.402 658 L N 1.933 123.226 121.223 0.116 0.000 2.276 658 L HA 0.411 4.751 4.340 -0.000 0.000 0.286 658 L C -0.285 176.650 176.870 0.109 0.000 1.061 658 L CA 0.026 54.949 54.840 0.138 0.000 0.807 658 L CB 0.321 42.434 42.059 0.089 0.000 1.177 658 L HN 0.802 nan 8.230 nan 0.000 0.429 659 D N 5.084 125.599 120.400 0.193 0.000 2.916 659 D HA -0.207 4.433 4.640 -0.000 0.000 0.209 659 D C 1.221 177.466 176.300 -0.090 0.000 1.255 659 D CA 1.226 55.291 54.000 0.108 0.000 0.627 659 D CB -1.000 39.875 40.800 0.124 0.000 0.959 659 D HN 1.070 nan 8.370 nan 0.000 0.393 660 G N -0.662 108.035 108.800 -0.172 0.000 2.176 660 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.253 660 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.253 660 G C 0.073 174.854 174.900 -0.199 0.000 0.979 660 G CA 0.364 45.284 45.100 -0.299 0.000 0.641 660 G HN 0.497 nan 8.290 nan 0.000 0.530 661 K N 1.455 121.796 120.400 -0.097 0.000 2.367 661 K HA 0.570 4.890 4.320 -0.000 0.000 0.263 661 K C -2.696 173.884 176.600 -0.033 0.000 1.000 661 K CA -2.183 54.062 56.287 -0.069 0.000 0.891 661 K CB 2.031 34.507 32.500 -0.041 0.000 1.117 661 K HN -0.015 nan 8.250 nan 0.000 0.443 662 P HA -0.029 nan 4.420 nan 0.000 0.260 662 P C -0.227 177.073 177.300 -0.001 0.000 1.185 662 P CA 0.330 63.410 63.100 -0.033 0.000 0.763 662 P CB 0.476 32.134 31.700 -0.069 0.000 0.776 663 L N 1.610 122.856 121.223 0.040 0.000 2.840 663 L HA 0.510 4.850 4.340 -0.000 0.000 0.249 663 L C 0.739 177.662 176.870 0.088 0.000 1.119 663 L CA 0.063 54.938 54.840 0.058 0.000 0.930 663 L CB 0.379 42.483 42.059 0.076 0.000 1.295 663 L HN 0.312 nan 8.230 nan 0.000 0.534 664 A N -0.526 122.366 122.820 0.120 0.000 2.566 664 A HA 0.750 5.070 4.320 -0.000 0.000 0.297 664 A C -0.924 176.652 177.584 -0.013 0.000 1.059 664 A CA -0.223 51.931 52.037 0.194 0.000 0.691 664 A CB 1.968 21.262 19.000 0.490 0.000 1.282 664 A HN -0.089 nan 8.150 nan 0.000 0.401 665 S N -0.884 114.564 115.700 -0.420 0.000 2.661 665 S HA 0.992 5.462 4.470 -0.000 0.000 0.285 665 S C -0.313 173.389 174.600 -1.498 0.000 1.138 665 S CA 0.078 57.755 58.200 -0.872 0.000 0.855 665 S CB 2.189 65.096 63.200 -0.487 0.000 1.136 665 S HN 2.419 nan 8.310 nan 0.000 0.484 666 G N 1.380 109.299 108.800 -1.468 0.000 2.282 666 G HA2 0.296 4.256 3.960 -0.000 0.000 0.274 666 G HA3 0.296 4.256 3.960 -0.000 0.000 0.274 666 G C -1.878 172.544 174.900 -0.797 0.000 1.718 666 G CA -0.811 43.638 45.100 -1.084 0.000 0.927 666 G HN 0.530 nan 8.290 nan 0.000 0.733 667 E N -0.549 119.533 120.200 -0.196 0.000 2.254 667 E HA 0.789 5.139 4.350 -0.000 0.000 0.261 667 E C -0.708 176.006 176.600 0.189 0.000 1.051 667 E CA -1.132 55.354 56.400 0.142 0.000 0.902 667 E CB 2.879 32.712 29.700 0.222 0.000 1.168 667 E HN 0.445 nan 8.360 nan 0.000 0.423 668 V N 1.769 121.803 119.914 0.200 0.000 2.851 668 V HA 0.179 4.299 4.120 -0.000 0.000 0.290 668 V C -2.648 173.515 176.094 0.115 0.000 1.330 668 V CA -1.499 60.904 62.300 0.170 0.000 0.944 668 V CB 2.116 34.066 31.823 0.212 0.000 1.090 668 V HN 0.578 nan 8.190 nan 0.000 0.436 669 P HA 0.376 nan 4.420 nan 0.000 0.275 669 P C -0.687 176.658 177.300 0.075 0.000 1.228 669 P CA -0.172 62.968 63.100 0.067 0.000 0.786 669 P CB 0.881 32.624 31.700 0.072 0.000 0.927 670 L N 2.234 123.490 121.223 0.054 0.000 2.343 670 L HA 0.384 4.724 4.340 -0.000 0.000 0.275 670 L C 0.295 177.218 176.870 0.088 0.000 1.056 670 L CA 0.013 54.886 54.840 0.055 0.000 0.804 670 L CB 0.965 43.013 42.059 -0.019 0.000 1.203 670 L HN 0.381 nan 8.230 nan 0.000 0.440 671 D N 2.051 122.512 120.400 0.102 0.000 2.429 671 D HA 0.365 5.005 4.640 -0.000 0.000 0.255 671 D C -1.363 174.967 176.300 0.049 0.000 1.257 671 D CA -0.225 53.874 54.000 0.165 0.000 0.890 671 D CB 0.941 41.892 40.800 0.252 0.000 1.267 671 D HN 0.082 nan 8.370 nan 0.000 0.521 672 V N 0.882 120.657 119.914 -0.232 0.000 2.555 672 V HA 0.893 5.013 4.120 -0.000 0.000 0.302 672 V C 0.636 176.444 176.094 -0.476 0.000 1.038 672 V CA -1.278 60.922 62.300 -0.168 0.000 0.887 672 V CB 1.391 33.252 31.823 0.065 0.000 0.991 672 V HN 0.494 nan 8.190 nan 0.000 0.434 673 A N 5.655 128.447 122.820 -0.047 0.000 2.340 673 A HA 0.795 5.115 4.320 -0.000 0.000 0.268 673 A C -2.394 175.208 177.584 0.030 0.000 1.100 673 A CA -1.729 50.388 52.037 0.133 0.000 0.803 673 A CB 0.042 19.154 19.000 0.186 0.000 1.043 673 A HN 0.717 nan 8.150 nan 0.000 0.488 674 P HA 0.055 nan 4.420 nan 0.000 0.262 674 P C -0.078 177.200 177.300 -0.037 0.000 1.182 674 P CA 0.665 63.754 63.100 -0.019 0.000 0.761 674 P CB 0.461 32.123 31.700 -0.063 0.000 0.795 675 Q N -0.764 118.999 119.800 -0.062 0.000 2.282 675 Q HA -0.187 4.153 4.340 -0.000 0.000 0.182 675 Q C 0.880 176.865 176.000 -0.026 0.000 0.609 675 Q CA 1.390 57.158 55.803 -0.058 0.000 1.397 675 Q CB -1.833 26.866 28.738 -0.065 0.000 1.458 675 Q HN 0.756 nan 8.270 nan 0.000 0.852 676 G N 0.230 109.029 108.800 -0.003 0.000 2.532 676 G HA2 0.583 4.543 3.960 -0.000 0.000 0.291 676 G HA3 0.583 4.543 3.960 -0.000 0.000 0.291 676 G C -0.611 174.304 174.900 0.024 0.000 1.349 676 G CA -0.485 44.627 45.100 0.019 0.000 1.038 676 G HN -0.020 nan 8.290 nan 0.000 0.518 677 K N -0.347 120.077 120.400 0.039 0.000 2.427 677 K HA 0.343 4.663 4.320 -0.000 0.000 0.252 677 K C -0.782 175.855 176.600 0.063 0.000 0.931 677 K CA -0.514 55.801 56.287 0.047 0.000 0.793 677 K CB 2.696 35.219 32.500 0.039 0.000 1.211 677 K HN 0.513 nan 8.250 nan 0.000 0.426 678 Q N 2.677 122.524 119.800 0.078 0.000 2.266 678 Q HA 0.432 4.772 4.340 -0.000 0.000 0.261 678 Q C -1.213 174.834 176.000 0.079 0.000 0.985 678 Q CA -0.729 55.125 55.803 0.085 0.000 0.873 678 Q CB 1.166 29.965 28.738 0.102 0.000 1.306 678 Q HN 0.497 nan 8.270 nan 0.000 0.447 679 L N 5.497 126.760 121.223 0.067 0.000 2.324 679 L HA 0.437 4.777 4.340 -0.000 0.000 0.274 679 L C -0.739 176.160 176.870 0.048 0.000 1.012 679 L CA -0.516 54.354 54.840 0.051 0.000 0.859 679 L CB 0.965 43.044 42.059 0.033 0.000 1.224 679 L HN 0.618 nan 8.230 nan 0.000 0.429 680 I N 2.882 123.484 120.570 0.052 0.000 2.312 680 I HA 0.229 4.399 4.170 -0.000 0.000 0.291 680 I C 0.310 176.415 176.117 -0.020 0.000 1.031 680 I CA -0.244 61.080 61.300 0.040 0.000 1.293 680 I CB 1.380 39.427 38.000 0.080 0.000 1.403 680 I HN 0.592 nan 8.210 nan 0.000 0.484 681 E N 6.393 126.578 120.200 -0.026 0.000 2.197 681 E HA 0.501 4.851 4.350 -0.000 0.000 0.281 681 E C -0.949 175.586 176.600 -0.108 0.000 0.995 681 E CA -0.618 55.743 56.400 -0.064 0.000 0.808 681 E CB 1.613 31.291 29.700 -0.037 0.000 1.093 681 E HN 0.502 nan 8.360 nan 0.000 0.394 682 L N 4.799 125.913 121.223 -0.182 0.000 2.387 682 L HA 0.488 4.828 4.340 -0.000 0.000 0.266 682 L C -1.914 174.841 176.870 -0.191 0.000 1.059 682 L CA -1.987 52.682 54.840 -0.286 0.000 0.801 682 L CB 0.871 42.659 42.059 -0.451 0.000 1.223 682 L HN 0.489 nan 8.230 nan 0.000 0.456 683 P HA 0.115 nan 4.420 nan 0.000 0.277 683 P C -0.924 176.309 177.300 -0.111 0.000 1.271 683 P CA -0.628 62.419 63.100 -0.089 0.000 0.795 683 P CB 0.455 32.155 31.700 -0.000 0.000 1.101 684 E N 0.289 120.456 120.200 -0.055 0.000 2.392 684 E HA 0.124 4.474 4.350 -0.000 0.000 0.264 684 E C -0.730 175.842 176.600 -0.047 0.000 1.024 684 E CA -0.111 56.257 56.400 -0.052 0.000 0.903 684 E CB 0.180 29.864 29.700 -0.026 0.000 0.963 684 E HN 0.261 nan 8.360 nan 0.000 0.432 685 L N 5.069 126.258 121.223 -0.057 0.000 2.334 685 L HA 0.437 4.777 4.340 -0.000 0.000 0.270 685 L C -2.020 174.847 176.870 -0.003 0.000 1.018 685 L CA -2.381 52.438 54.840 -0.035 0.000 0.811 685 L CB 1.243 43.261 42.059 -0.068 0.000 1.271 685 L HN 0.525 nan 8.230 nan 0.000 0.443 686 P HA 0.036 nan 4.420 nan 0.000 0.267 686 P C -1.251 176.062 177.300 0.021 0.000 1.209 686 P CA -0.067 63.051 63.100 0.031 0.000 0.763 686 P CB 0.295 32.027 31.700 0.053 0.000 0.816 687 Q N 2.674 122.484 119.800 0.015 0.000 2.490 687 Q HA 0.284 4.624 4.340 -0.000 0.000 0.397 687 Q C -2.071 173.938 176.000 0.015 0.000 0.937 687 Q CA -1.768 54.041 55.803 0.010 0.000 1.108 687 Q CB -0.331 28.407 28.738 0.001 0.000 1.336 687 Q HN 0.408 nan 8.270 nan 0.000 0.410 688 P HA -0.137 nan 4.420 nan 0.000 0.264 688 P C 0.359 177.673 177.300 0.024 0.000 1.173 688 P CA 0.518 63.635 63.100 0.027 0.000 0.761 688 P CB 0.776 32.498 31.700 0.037 0.000 0.794 689 E N 0.003 120.216 120.200 0.022 0.000 2.400 689 E HA 0.019 4.369 4.350 -0.000 0.000 0.195 689 E C 0.139 176.754 176.600 0.025 0.000 1.012 689 E CA 0.165 56.577 56.400 0.021 0.000 0.875 689 E CB -0.106 29.604 29.700 0.017 0.000 0.859 689 E HN 0.428 nan 8.360 nan 0.000 0.498 690 S N 1.899 117.616 115.700 0.029 0.000 2.558 690 S HA 0.236 4.706 4.470 -0.000 0.000 0.291 690 S C 0.411 175.035 174.600 0.041 0.000 1.306 690 S CA -0.178 58.042 58.200 0.034 0.000 1.056 690 S CB 0.862 64.083 63.200 0.035 0.000 0.836 690 S HN 0.325 nan 8.310 nan 0.000 0.504 691 A N 2.088 124.935 122.820 0.044 0.000 2.366 691 A HA 0.718 5.038 4.320 -0.000 0.000 0.249 691 A C 0.994 178.618 177.584 0.068 0.000 1.084 691 A CA 0.328 52.396 52.037 0.051 0.000 0.794 691 A CB -0.422 18.609 19.000 0.052 0.000 1.034 691 A HN 1.827 nan 8.150 nan 0.000 0.491 692 G N -0.462 108.384 108.800 0.077 0.000 2.346 692 G HA2 0.272 4.232 3.960 -0.000 0.000 0.294 692 G HA3 0.272 4.232 3.960 -0.000 0.000 0.294 692 G C -1.085 173.883 174.900 0.114 0.000 1.294 692 G CA -0.675 44.492 45.100 0.112 0.000 0.962 692 G HN 0.864 nan 8.290 nan 0.000 0.508 693 Q N -0.301 119.613 119.800 0.190 0.000 2.372 693 Q HA 0.564 4.904 4.340 -0.000 0.000 0.259 693 Q C -0.468 175.684 176.000 0.252 0.000 0.993 693 Q CA -0.694 55.228 55.803 0.197 0.000 0.854 693 Q CB 1.696 30.662 28.738 0.381 0.000 1.231 693 Q HN 0.557 nan 8.270 nan 0.000 0.462 694 L N 4.075 125.342 121.223 0.074 0.000 2.313 694 L HA 0.367 4.707 4.340 -0.000 0.000 0.282 694 L C -1.633 175.277 176.870 0.065 0.000 1.092 694 L CA 0.356 55.263 54.840 0.111 0.000 0.831 694 L CB 0.234 42.317 42.059 0.040 0.000 1.159 694 L HN 0.556 nan 8.230 nan 0.000 0.442 695 W N 5.572 126.950 121.300 0.130 0.000 2.702 695 W HA 0.548 5.208 4.660 -0.000 0.000 0.331 695 W C -0.994 175.632 176.519 0.178 0.000 1.049 695 W CA -0.663 56.780 57.345 0.164 0.000 1.230 695 W CB 1.719 31.309 29.460 0.218 0.000 1.408 695 W HN 0.297 nan 8.180 nan 0.000 0.492 696 L N 3.081 124.589 121.223 0.475 0.000 2.309 696 L HA 0.792 5.132 4.340 -0.000 0.000 0.282 696 L C -0.333 176.831 176.870 0.491 0.000 1.036 696 L CA 0.206 55.316 54.840 0.449 0.000 0.806 696 L CB 1.624 43.912 42.059 0.381 0.000 1.220 696 L HN 0.319 nan 8.230 nan 0.000 0.429 697 T N 4.620 119.412 114.554 0.397 0.000 3.011 697 T HA 0.545 4.895 4.350 -0.000 0.000 0.303 697 T C -1.078 173.788 174.700 0.276 0.000 0.997 697 T CA -0.441 61.826 62.100 0.279 0.000 1.007 697 T CB 1.309 70.281 68.868 0.173 0.000 1.017 697 T HN 0.514 nan 8.240 nan 0.000 0.443 698 V N 2.395 122.427 119.914 0.197 0.000 2.483 698 V HA 0.795 4.915 4.120 -0.000 0.000 0.295 698 V C -0.105 176.011 176.094 0.036 0.000 1.035 698 V CA -0.972 61.400 62.300 0.119 0.000 0.896 698 V CB 1.586 33.399 31.823 -0.016 0.000 0.986 698 V HN 0.783 nan 8.190 nan 0.000 0.447 699 R N 2.273 122.837 120.500 0.107 0.000 2.673 699 R HA 0.771 5.111 4.340 -0.000 0.000 0.281 699 R C -1.813 174.554 176.300 0.112 0.000 0.991 699 R CA -0.657 55.530 56.100 0.145 0.000 0.896 699 R CB 2.696 33.081 30.300 0.143 0.000 1.201 699 R HN 0.693 nan 8.270 nan 0.000 0.457 700 V N 4.432 124.430 119.914 0.141 0.000 2.370 700 V HA 0.411 4.531 4.120 -0.000 0.000 0.283 700 V C -0.465 175.655 176.094 0.043 0.000 1.023 700 V CA -0.608 61.724 62.300 0.054 0.000 0.857 700 V CB 1.677 33.512 31.823 0.019 0.000 0.985 700 V HN 0.435 nan 8.190 nan 0.000 0.443 701 V N 4.445 124.315 119.914 -0.074 0.000 2.555 701 V HA 0.462 4.582 4.120 -0.000 0.000 0.302 701 V C -0.312 175.771 176.094 -0.018 0.000 1.038 701 V CA -0.866 61.398 62.300 -0.061 0.000 0.887 701 V CB 1.833 33.533 31.823 -0.205 0.000 0.991 701 V HN 0.854 nan 8.190 nan 0.000 0.434 702 Q N 4.576 124.412 119.800 0.060 0.000 2.406 702 Q HA 0.270 4.610 4.340 -0.000 0.000 0.242 702 Q C -1.784 174.224 176.000 0.014 0.000 1.036 702 Q CA -1.738 54.100 55.803 0.058 0.000 0.904 702 Q CB 1.766 30.559 28.738 0.093 0.000 1.244 702 Q HN 0.508 nan 8.270 nan 0.000 0.478 703 P HA -0.178 nan 4.420 nan 0.000 0.215 703 P C -0.602 176.693 177.300 -0.009 0.000 1.153 703 P CA 1.265 64.362 63.100 -0.005 0.000 0.853 703 P CB 0.397 32.096 31.700 -0.001 0.000 0.788 704 N N -1.112 117.578 118.700 -0.017 0.000 2.466 704 N HA 0.465 5.205 4.740 -0.000 0.000 0.294 704 N C -0.291 175.176 175.510 -0.072 0.000 1.129 704 N CA -0.688 52.343 53.050 -0.031 0.000 0.931 704 N CB 0.864 39.339 38.487 -0.021 0.000 1.193 704 N HN -0.052 nan 8.380 nan 0.000 0.500 705 A N 0.269 123.042 122.820 -0.077 0.000 2.310 705 A HA 0.571 4.891 4.320 -0.000 0.000 0.260 705 A C 0.537 178.014 177.584 -0.177 0.000 1.112 705 A CA 0.014 51.970 52.037 -0.135 0.000 0.804 705 A CB -0.040 18.903 19.000 -0.096 0.000 1.081 705 A HN 0.739 nan 8.150 nan 0.000 0.499 706 T N -4.455 109.921 114.554 -0.296 0.000 2.669 706 T HA 0.626 4.976 4.350 -0.000 0.000 0.283 706 T C 0.653 175.235 174.700 -0.197 0.000 1.019 706 T CA 0.103 62.023 62.100 -0.300 0.000 1.039 706 T CB 1.047 69.474 68.868 -0.736 0.000 1.374 706 T HN 1.380 nan 8.240 nan 0.000 0.523 707 A N -0.313 122.501 122.820 -0.009 0.000 2.208 707 A HA 0.238 4.558 4.320 -0.000 0.000 0.209 707 A C 1.361 179.065 177.584 0.200 0.000 1.161 707 A CA 0.284 52.426 52.037 0.175 0.000 0.782 707 A CB -0.677 18.530 19.000 0.344 0.000 0.816 707 A HN 0.877 nan 8.150 nan 0.000 0.477 708 W N -0.520 120.767 121.300 -0.021 0.000 2.518 708 W HA 0.441 5.101 4.660 -0.000 0.000 0.352 708 W C -0.315 176.129 176.519 -0.124 0.000 0.952 708 W CA 0.411 57.681 57.345 -0.125 0.000 1.624 708 W CB -1.072 28.291 29.460 -0.161 0.000 1.135 708 W HN 0.447 nan 8.180 nan 0.000 0.540 709 S N 0.051 115.321 115.700 -0.716 0.000 2.535 709 S HA 0.356 4.826 4.470 -0.000 0.000 0.272 709 S C -0.938 173.429 174.600 -0.388 0.000 1.149 709 S CA -0.649 57.145 58.200 -0.678 0.000 0.888 709 S CB 2.219 64.611 63.200 -1.347 0.000 1.110 709 S HN 0.144 nan 8.310 nan 0.000 0.463 710 E N 1.427 121.524 120.200 -0.173 0.000 2.390 710 E HA 0.513 4.863 4.350 -0.000 0.000 0.261 710 E C 0.491 177.063 176.600 -0.046 0.000 1.076 710 E CA -0.479 55.878 56.400 -0.072 0.000 0.905 710 E CB 0.770 30.467 29.700 -0.004 0.000 0.984 710 E HN 0.871 nan 8.360 nan 0.000 0.427 711 A N 1.251 124.050 122.820 -0.034 0.000 2.445 711 A HA 0.426 4.746 4.320 -0.000 0.000 0.242 711 A C 1.210 178.806 177.584 0.019 0.000 1.075 711 A CA 0.539 52.567 52.037 -0.016 0.000 0.777 711 A CB -0.219 18.771 19.000 -0.015 0.000 1.013 711 A HN 0.822 nan 8.150 nan 0.000 0.493 712 G N -0.011 108.806 108.800 0.028 0.000 2.175 712 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.244 712 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.244 712 G C 0.376 175.305 174.900 0.048 0.000 0.982 712 G CA 0.416 45.536 45.100 0.033 0.000 0.641 712 G HN 1.495 nan 8.290 nan 0.000 0.527 713 H N 1.452 120.515 119.070 -0.013 0.000 3.034 713 H HA 0.247 4.803 4.556 -0.000 0.000 0.324 713 H C 0.175 175.544 175.328 0.069 0.000 1.015 713 H CA 0.351 56.408 56.048 0.015 0.000 1.429 713 H CB 0.207 29.947 29.762 -0.038 0.000 1.429 713 H HN 0.171 nan 8.280 nan 0.000 0.585 714 I N 4.863 125.159 120.570 -0.457 0.000 2.385 714 I HA -0.075 4.095 4.170 -0.000 0.000 0.294 714 I C 1.434 177.476 176.117 -0.124 0.000 0.988 714 I CA 0.081 61.286 61.300 -0.159 0.000 1.265 714 I CB 1.721 39.682 38.000 -0.066 0.000 1.388 714 I HN 0.678 nan 8.210 nan 0.000 0.480 715 S N 4.147 120.001 115.700 0.258 0.000 2.564 715 S HA 0.475 4.945 4.470 -0.000 0.000 0.231 715 S C 0.499 175.334 174.600 0.392 0.000 1.067 715 S CA 0.048 58.513 58.200 0.441 0.000 0.908 715 S CB 0.808 64.361 63.200 0.589 0.000 0.809 715 S HN 0.712 nan 8.310 nan 0.000 0.491 716 A N 0.484 123.557 122.820 0.421 0.000 2.587 716 A HA 0.736 5.056 4.320 -0.000 0.000 0.293 716 A C -1.794 176.106 177.584 0.527 0.000 1.087 716 A CA -0.857 51.394 52.037 0.356 0.000 0.692 716 A CB 0.811 20.075 19.000 0.440 0.000 1.291 716 A HN 0.974 nan 8.150 nan 0.000 0.407 717 W N -0.029 121.448 121.300 0.295 0.000 3.146 717 W HA 0.767 5.427 4.660 -0.000 0.000 0.319 717 W C -1.297 175.270 176.519 0.080 0.000 1.258 717 W CA -0.552 56.846 57.345 0.089 0.000 1.189 717 W CB 1.137 30.606 29.460 0.015 0.000 1.412 717 W HN 0.971 nan 8.180 nan 0.000 0.567 718 Q N 1.796 121.630 119.800 0.057 0.000 2.472 718 Q HA 0.463 4.803 4.340 -0.000 0.000 0.281 718 Q C -1.680 174.031 176.000 -0.482 0.000 0.997 718 Q CA -0.621 55.039 55.803 -0.238 0.000 0.828 718 Q CB 2.371 30.841 28.738 -0.447 0.000 1.443 718 Q HN 0.657 nan 8.270 nan 0.000 0.390 719 Q N 2.311 121.735 119.800 -0.627 0.000 2.340 719 Q HA 0.556 4.896 4.340 -0.000 0.000 0.276 719 Q C -1.460 174.295 176.000 -0.408 0.000 1.048 719 Q CA -0.693 54.869 55.803 -0.402 0.000 0.832 719 Q CB 1.619 30.416 28.738 0.098 0.000 1.373 719 Q HN 0.652 nan 8.270 nan 0.000 0.409 720 W N 2.304 123.745 121.300 0.235 0.000 2.761 720 W HA 0.489 5.149 4.660 -0.000 0.000 0.340 720 W C -0.200 176.311 176.519 -0.012 0.000 1.072 720 W CA -0.942 56.476 57.345 0.122 0.000 1.215 720 W CB 1.969 31.455 29.460 0.043 0.000 1.420 720 W HN 0.714 nan 8.180 nan 0.000 0.519 721 R N 2.585 122.946 120.500 -0.232 0.000 2.296 721 R HA 0.265 4.605 4.340 -0.000 0.000 0.327 721 R C 0.534 176.575 176.300 -0.431 0.000 1.137 721 R CA -0.172 55.355 56.100 -0.956 0.000 1.020 721 R CB 0.176 29.338 30.300 -1.896 0.000 1.110 721 R HN 0.615 nan 8.270 nan 0.000 0.499 722 L N 2.795 123.874 121.223 -0.240 0.000 2.027 722 L HA 0.115 4.455 4.340 -0.000 0.000 0.206 722 L C 1.004 177.787 176.870 -0.146 0.000 1.074 722 L CA 1.344 56.103 54.840 -0.135 0.000 0.745 722 L CB -0.352 41.668 42.059 -0.066 0.000 0.898 722 L HN 0.674 nan 8.230 nan 0.000 0.433 723 A N -0.981 121.742 122.820 -0.162 0.000 2.602 723 A HA 0.678 4.998 4.320 -0.000 0.000 0.290 723 A C -1.304 176.217 177.584 -0.104 0.000 1.114 723 A CA -0.451 51.520 52.037 -0.111 0.000 0.683 723 A CB 1.747 20.713 19.000 -0.056 0.000 1.281 723 A HN 0.046 nan 8.150 nan 0.000 0.416 724 E N 0.601 120.764 120.200 -0.062 0.000 2.278 724 E HA 0.340 4.690 4.350 -0.000 0.000 0.272 724 E C -1.637 174.961 176.600 -0.003 0.000 0.890 724 E CA -0.636 55.747 56.400 -0.029 0.000 0.770 724 E CB 1.253 30.931 29.700 -0.037 0.000 1.212 724 E HN 0.573 nan 8.360 nan 0.000 0.415 725 N N 4.475 123.185 118.700 0.018 0.000 2.501 725 N HA 0.286 5.026 4.740 -0.000 0.000 0.245 725 N C -0.521 175.008 175.510 0.033 0.000 0.974 725 N CA -0.258 52.806 53.050 0.023 0.000 0.941 725 N CB 1.013 39.517 38.487 0.029 0.000 1.122 725 N HN 0.490 nan 8.380 nan 0.000 0.507 726 L N 1.032 122.271 121.223 0.028 0.000 2.456 726 L HA 0.103 4.443 4.340 -0.000 0.000 0.272 726 L C 1.134 178.026 176.870 0.037 0.000 1.189 726 L CA 0.085 54.946 54.840 0.035 0.000 0.846 726 L CB 0.697 42.773 42.059 0.029 0.000 1.111 726 L HN 0.402 nan 8.230 nan 0.000 0.475 727 S N 2.076 117.803 115.700 0.045 0.000 2.525 727 S HA 0.377 4.847 4.470 -0.000 0.000 0.278 727 S C 0.429 175.052 174.600 0.038 0.000 1.234 727 S CA -0.780 57.446 58.200 0.043 0.000 1.058 727 S CB 1.436 64.666 63.200 0.050 0.000 0.983 727 S HN 0.439 nan 8.310 nan 0.000 0.495 728 V N 1.557 121.490 119.914 0.032 0.000 3.502 728 V HA 0.310 4.430 4.120 -0.000 0.000 0.288 728 V C 0.923 177.032 176.094 0.025 0.000 1.461 728 V CA 0.282 62.598 62.300 0.027 0.000 1.029 728 V CB -0.870 30.966 31.823 0.022 0.000 0.843 728 V HN 0.918 nan 8.190 nan 0.000 0.438 729 T N 1.712 116.282 114.554 0.027 0.000 2.919 729 T HA 0.599 4.949 4.350 -0.000 0.000 0.302 729 T C -0.171 174.543 174.700 0.024 0.000 1.031 729 T CA -0.260 61.855 62.100 0.023 0.000 1.127 729 T CB 0.936 69.818 68.868 0.024 0.000 0.952 729 T HN 0.398 nan 8.240 nan 0.000 0.540 730 L N 3.147 124.381 121.223 0.018 0.000 2.343 730 L HA 0.539 4.879 4.340 -0.000 0.000 0.275 730 L C -1.645 175.233 176.870 0.012 0.000 1.056 730 L CA -2.443 52.406 54.840 0.015 0.000 0.804 730 L CB -0.075 41.990 42.059 0.009 0.000 1.203 730 L HN 0.551 nan 8.230 nan 0.000 0.440 731 P HA 0.114 nan 4.420 nan 0.000 0.266 731 P C -0.421 176.876 177.300 -0.005 0.000 1.195 731 P CA -0.313 62.793 63.100 0.009 0.000 0.768 731 P CB 0.592 32.297 31.700 0.010 0.000 0.838 732 A N 2.869 125.684 122.820 -0.007 0.000 2.483 732 A HA 0.422 4.742 4.320 -0.000 0.000 0.238 732 A C 0.784 178.331 177.584 -0.062 0.000 1.070 732 A CA 0.028 52.049 52.037 -0.026 0.000 0.770 732 A CB -0.408 18.582 19.000 -0.016 0.000 1.008 732 A HN 0.755 nan 8.150 nan 0.000 0.497 733 A N 2.521 125.285 122.820 -0.093 0.000 2.546 733 A HA 0.447 4.767 4.320 -0.000 0.000 0.243 733 A C 0.912 178.341 177.584 -0.259 0.000 1.063 733 A CA 0.545 52.496 52.037 -0.143 0.000 0.757 733 A CB -0.499 18.422 19.000 -0.133 0.000 0.991 733 A HN 1.890 nan 8.150 nan 0.000 0.503 734 S N 2.235 117.821 115.700 -0.191 0.000 2.452 734 S HA 0.387 4.857 4.470 -0.000 0.000 0.284 734 S C 0.504 174.979 174.600 -0.209 0.000 1.171 734 S CA -0.436 57.648 58.200 -0.194 0.000 1.064 734 S CB 0.420 63.584 63.200 -0.059 0.000 0.967 734 S HN 0.711 nan 8.310 nan 0.000 0.484 735 H N 3.049 122.127 119.070 0.014 0.000 2.270 735 H HA 0.198 4.754 4.556 -0.000 0.000 0.299 735 H C 1.402 176.738 175.328 0.014 0.000 1.077 735 H CA 1.531 57.586 56.048 0.012 0.000 1.294 735 H CB -0.263 29.505 29.762 0.010 0.000 1.371 735 H HN 0.854 nan 8.280 nan 0.000 0.491 736 A N 0.864 123.780 122.820 0.161 0.000 2.257 736 A HA 0.567 4.887 4.320 -0.000 0.000 0.289 736 A C -0.053 177.571 177.584 0.066 0.000 1.095 736 A CA -0.360 51.738 52.037 0.101 0.000 0.836 736 A CB 0.178 19.239 19.000 0.102 0.000 1.111 736 A HN 0.445 nan 8.150 nan 0.000 0.497 737 I N -0.861 119.749 120.570 0.067 0.000 2.802 737 I HA 0.621 4.791 4.170 -0.000 0.000 0.298 737 I C -2.851 173.317 176.117 0.085 0.000 1.176 737 I CA -2.423 58.912 61.300 0.057 0.000 1.025 737 I CB 2.536 40.558 38.000 0.038 0.000 1.243 737 I HN 0.401 nan 8.210 nan 0.000 0.424 738 P HA 0.035 nan 4.420 nan 0.000 0.269 738 P C -1.374 176.004 177.300 0.129 0.000 1.217 738 P CA 0.316 63.478 63.100 0.103 0.000 0.783 738 P CB 0.189 31.909 31.700 0.032 0.000 0.898 739 H N 2.578 121.684 119.070 0.061 0.000 2.792 739 H HA 0.227 4.783 4.556 -0.000 0.000 0.298 739 H C 0.001 175.358 175.328 0.048 0.000 1.042 739 H CA -0.907 55.165 56.048 0.041 0.000 1.300 739 H CB 0.658 30.442 29.762 0.038 0.000 1.431 739 H HN 0.173 nan 8.280 nan 0.000 0.496 740 L N 3.882 124.853 121.223 -0.419 0.000 2.172 740 L HA 0.102 4.442 4.340 -0.000 0.000 0.176 740 L C -0.158 176.418 176.870 -0.490 0.000 0.986 740 L CA 1.093 55.727 54.840 -0.343 0.000 0.936 740 L CB 0.001 41.926 42.059 -0.223 0.000 1.222 740 L HN 0.902 nan 8.230 nan 0.000 0.542 741 T N 0.178 114.613 114.554 -0.198 0.000 3.798 741 T HA 0.007 4.357 4.350 -0.000 0.000 0.174 741 T C -0.670 174.069 174.700 0.065 0.000 0.515 741 T CA -0.306 61.747 62.100 -0.077 0.000 0.889 741 T CB -1.029 67.811 68.868 -0.046 0.000 1.388 741 T HN 0.782 nan 8.240 nan 0.000 0.513 742 T N 2.919 117.542 114.554 0.115 0.000 2.832 742 T HA 0.582 4.932 4.350 -0.000 0.000 0.296 742 T C 0.817 175.560 174.700 0.072 0.000 0.968 742 T CA -0.097 62.124 62.100 0.202 0.000 1.107 742 T CB 1.273 70.300 68.868 0.265 0.000 0.916 742 T HN 0.633 nan 8.240 nan 0.000 0.517 743 S N 2.147 117.853 115.700 0.011 0.000 2.718 743 S HA 0.325 4.795 4.470 -0.000 0.000 0.292 743 S C 1.023 175.570 174.600 -0.089 0.000 1.125 743 S CA -0.714 57.469 58.200 -0.029 0.000 1.013 743 S CB 1.094 64.282 63.200 -0.021 0.000 1.192 743 S HN 0.697 nan 8.310 nan 0.000 0.535 744 E N 0.013 120.167 120.200 -0.075 0.000 2.385 744 E HA 0.122 4.472 4.350 -0.000 0.000 0.194 744 E C 0.478 177.001 176.600 -0.128 0.000 1.013 744 E CA 0.615 56.960 56.400 -0.092 0.000 0.866 744 E CB -0.063 29.605 29.700 -0.054 0.000 0.832 744 E HN 0.662 nan 8.360 nan 0.000 0.500 745 M N 0.730 120.259 119.600 -0.117 0.000 2.809 745 M HA 0.255 4.735 4.480 -0.000 0.000 0.388 745 M C -0.623 175.604 176.300 -0.122 0.000 1.248 745 M CA -0.326 54.907 55.300 -0.113 0.000 0.885 745 M CB 0.435 33.001 32.600 -0.056 0.000 1.386 745 M HN -0.123 nan 8.290 nan 0.000 0.509 746 D N -0.346 119.929 120.400 -0.209 0.000 2.879 746 D HA 0.276 4.916 4.640 -0.000 0.000 0.346 746 D C -1.536 174.638 176.300 -0.210 0.000 1.390 746 D CA -0.399 53.515 54.000 -0.142 0.000 0.838 746 D CB 1.202 42.020 40.800 0.029 0.000 1.416 746 D HN 0.003 nan 8.370 nan 0.000 0.493 747 F N 0.607 120.624 119.950 0.112 0.000 2.753 747 F HA 0.246 4.773 4.527 -0.000 0.000 0.379 747 F C -0.025 175.859 175.800 0.140 0.000 1.419 747 F CA -1.476 56.578 58.000 0.089 0.000 1.113 747 F CB 0.486 39.523 39.000 0.062 0.000 2.071 747 F HN 0.454 nan 8.300 nan 0.000 0.563 748 C N 3.228 122.686 119.300 0.264 0.000 2.611 748 C HA 0.355 4.815 4.460 -0.000 0.000 0.416 748 C C 0.441 175.540 174.990 0.182 0.000 1.366 748 C CA 0.184 59.326 59.018 0.207 0.000 1.761 748 C CB -0.834 26.967 27.740 0.102 0.000 2.619 748 C HN 0.365 nan 8.230 nan 0.000 0.606 749 I N 4.774 125.502 120.570 0.263 0.000 2.447 749 I HA 0.421 4.591 4.170 -0.000 0.000 0.287 749 I C -0.100 176.227 176.117 0.349 0.000 1.023 749 I CA -0.143 61.326 61.300 0.281 0.000 1.083 749 I CB 1.426 39.630 38.000 0.340 0.000 1.245 749 I HN 0.686 nan 8.210 nan 0.000 0.434 750 E N 5.268 125.627 120.200 0.265 0.000 2.256 750 E HA 0.707 5.057 4.350 -0.000 0.000 0.267 750 E C -1.736 175.021 176.600 0.261 0.000 0.892 750 E CA -0.880 55.663 56.400 0.238 0.000 0.775 750 E CB 3.197 33.002 29.700 0.175 0.000 1.207 750 E HN 0.413 nan 8.360 nan 0.000 0.420 751 L N 3.143 124.483 121.223 0.195 0.000 2.811 751 L HA 0.350 4.690 4.340 -0.000 0.000 0.251 751 L C -0.116 176.804 176.870 0.084 0.000 0.971 751 L CA 0.670 55.619 54.840 0.182 0.000 0.990 751 L CB 1.062 43.305 42.059 0.307 0.000 1.320 751 L HN 0.805 nan 8.230 nan 0.000 0.473 752 G N 3.517 112.344 108.800 0.044 0.000 2.528 752 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.262 752 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.262 752 G C 0.519 175.399 174.900 -0.032 0.000 1.200 752 G CA 0.458 45.561 45.100 0.006 0.000 0.951 752 G HN 0.900 nan 8.290 nan 0.000 0.566 753 N N 1.110 119.777 118.700 -0.055 0.000 2.457 753 N HA 0.045 4.785 4.740 -0.000 0.000 0.180 753 N C 0.700 176.130 175.510 -0.133 0.000 1.050 753 N CA 1.297 54.296 53.050 -0.084 0.000 0.906 753 N CB -0.059 38.383 38.487 -0.075 0.000 0.968 753 N HN 0.776 nan 8.380 nan 0.000 0.445 754 K N 1.172 121.464 120.400 -0.180 0.000 2.276 754 K HA 0.336 4.656 4.320 -0.000 0.000 0.283 754 K C -0.081 176.245 176.600 -0.458 0.000 1.044 754 K CA -0.166 55.876 56.287 -0.409 0.000 0.944 754 K CB 1.098 33.322 32.500 -0.460 0.000 1.012 754 K HN 0.175 nan 8.250 nan 0.000 0.472 755 R N 2.220 122.349 120.500 -0.619 0.000 2.668 755 R HA 0.439 4.779 4.340 -0.000 0.000 0.272 755 R C -1.143 174.934 176.300 -0.373 0.000 1.019 755 R CA -0.953 54.973 56.100 -0.291 0.000 0.894 755 R CB 1.836 32.081 30.300 -0.091 0.000 1.228 755 R HN 0.550 nan 8.270 nan 0.000 0.460 756 W N 1.931 123.337 121.300 0.175 0.000 2.883 756 W HA 0.337 4.997 4.660 -0.000 0.000 0.335 756 W C -0.643 175.968 176.519 0.154 0.000 1.083 756 W CA -0.540 56.854 57.345 0.081 0.000 1.233 756 W CB 2.392 31.870 29.460 0.030 0.000 1.412 756 W HN 0.446 nan 8.180 nan 0.000 0.490 757 Q N 2.804 122.756 119.800 0.252 0.000 2.327 757 Q HA 0.367 4.707 4.340 -0.000 0.000 0.270 757 Q C -1.786 174.226 176.000 0.019 0.000 1.022 757 Q CA -0.537 55.416 55.803 0.251 0.000 0.773 757 Q CB 1.203 30.134 28.738 0.321 0.000 1.251 757 Q HN 0.356 nan 8.270 nan 0.000 0.457 758 F N 3.691 123.739 119.950 0.163 0.000 2.335 758 F HA 0.216 4.743 4.527 -0.000 0.000 0.365 758 F C 0.876 176.729 175.800 0.090 0.000 1.122 758 F CA -0.696 57.379 58.000 0.125 0.000 1.151 758 F CB 0.599 39.702 39.000 0.172 0.000 1.282 758 F HN 0.520 nan 8.300 nan 0.000 0.513 759 N N 3.515 122.311 118.700 0.161 0.000 2.359 759 N HA -0.063 4.677 4.740 -0.000 0.000 0.261 759 N C 1.103 176.637 175.510 0.040 0.000 1.267 759 N CA 0.382 53.483 53.050 0.084 0.000 0.864 759 N CB 0.582 39.120 38.487 0.084 0.000 1.063 759 N HN 0.659 nan 8.380 nan 0.000 0.474 760 R N 2.330 122.777 120.500 -0.087 0.000 2.236 760 R HA -0.054 4.286 4.340 -0.000 0.000 0.208 760 R C 1.437 177.672 176.300 -0.107 0.000 1.036 760 R CA 1.096 57.088 56.100 -0.181 0.000 1.001 760 R CB 0.287 30.357 30.300 -0.384 0.000 0.896 760 R HN 0.693 nan 8.270 nan 0.000 0.464 761 Q N -0.873 118.891 119.800 -0.059 0.000 2.165 761 Q HA -0.034 4.306 4.340 -0.000 0.000 0.197 761 Q C 2.107 178.088 176.000 -0.032 0.000 0.952 761 Q CA 1.518 57.295 55.803 -0.042 0.000 0.848 761 Q CB 0.094 28.820 28.738 -0.019 0.000 0.931 761 Q HN 0.218 nan 8.270 nan 0.000 0.470 762 S N -0.160 115.543 115.700 0.005 0.000 2.371 762 S HA 0.089 4.559 4.470 -0.000 0.000 0.224 762 S C 1.653 176.127 174.600 -0.210 0.000 1.029 762 S CA 0.715 58.922 58.200 0.012 0.000 0.978 762 S CB -0.319 63.004 63.200 0.205 0.000 0.833 762 S HN 0.567 nan 8.310 nan 0.000 0.466 763 G N 0.416 109.135 108.800 -0.135 0.000 2.140 763 G HA2 -0.123 3.836 3.960 -0.000 0.000 0.211 763 G HA3 -0.123 3.836 3.960 -0.000 0.000 0.211 763 G C -0.306 174.584 174.900 -0.016 0.000 1.013 763 G CA 0.029 45.042 45.100 -0.146 0.000 0.705 763 G HN 0.462 nan 8.290 nan 0.000 0.508 764 F N -1.135 119.013 119.950 0.329 0.000 2.588 764 F HA 0.639 5.166 4.527 -0.000 0.000 0.310 764 F C 0.262 176.074 175.800 0.020 0.000 1.082 764 F CA -1.896 56.263 58.000 0.265 0.000 0.929 764 F CB 1.459 40.568 39.000 0.182 0.000 1.254 764 F HN 0.088 nan 8.300 nan 0.000 0.455 765 L N 2.070 123.273 121.223 -0.033 0.000 2.698 765 L HA 0.139 4.479 4.340 -0.000 0.000 0.272 765 L C 0.693 177.425 176.870 -0.231 0.000 1.154 765 L CA 0.926 55.380 54.840 -0.643 0.000 0.964 765 L CB -0.113 41.511 42.059 -0.725 0.000 1.272 765 L HN 0.628 nan 8.230 nan 0.000 0.483 766 S N 2.354 117.940 115.700 -0.189 0.000 2.478 766 S HA 0.128 4.598 4.470 -0.000 0.000 0.222 766 S C 0.395 174.895 174.600 -0.167 0.000 1.008 766 S CA 0.433 58.581 58.200 -0.087 0.000 0.928 766 S CB -0.063 63.136 63.200 -0.003 0.000 0.781 766 S HN 0.783 nan 8.310 nan 0.000 0.518 767 Q N 0.014 119.660 119.800 -0.257 0.000 2.702 767 Q HA 0.551 4.891 4.340 -0.000 0.000 0.289 767 Q C -1.608 174.050 176.000 -0.571 0.000 0.923 767 Q CA -0.593 54.941 55.803 -0.449 0.000 0.787 767 Q CB 1.162 29.559 28.738 -0.568 0.000 1.476 767 Q HN 0.213 nan 8.270 nan 0.000 0.402 768 M N 0.990 120.091 119.600 -0.831 0.000 2.520 768 M HA 0.685 5.165 4.480 -0.000 0.000 0.283 768 M C -1.876 173.956 176.300 -0.780 0.000 1.237 768 M CA -0.329 54.561 55.300 -0.685 0.000 0.885 768 M CB 1.976 34.258 32.600 -0.529 0.000 1.727 768 M HN 0.660 nan 8.290 nan 0.000 0.468 769 W N 3.737 124.806 121.300 -0.384 0.000 2.998 769 W HA 0.568 5.228 4.660 -0.000 0.000 0.335 769 W C -1.506 174.810 176.519 -0.338 0.000 1.110 769 W CA -0.707 56.460 57.345 -0.296 0.000 1.230 769 W CB 2.012 31.330 29.460 -0.238 0.000 1.405 769 W HN 0.589 nan 8.180 nan 0.000 0.493 770 I N 3.548 124.111 120.570 -0.011 0.000 2.595 770 I HA 0.309 4.479 4.170 -0.000 0.000 0.275 770 I C 0.824 176.930 176.117 -0.019 0.000 1.092 770 I CA 0.389 61.641 61.300 -0.081 0.000 1.145 770 I CB 0.590 38.510 38.000 -0.133 0.000 1.276 770 I HN 0.741 nan 8.210 nan 0.000 0.497 771 G N 5.123 113.914 108.800 -0.015 0.000 2.557 771 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.292 771 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.292 771 G C 0.520 175.442 174.900 0.038 0.000 1.162 771 G CA 0.578 45.668 45.100 -0.016 0.000 0.964 771 G HN 0.616 nan 8.290 nan 0.000 0.541 772 D N 1.376 121.805 120.400 0.048 0.000 2.348 772 D HA 0.172 4.812 4.640 -0.000 0.000 0.211 772 D C 0.924 177.352 176.300 0.214 0.000 0.998 772 D CA 0.726 54.781 54.000 0.092 0.000 0.873 772 D CB -0.034 40.785 40.800 0.030 0.000 0.925 772 D HN 0.591 nan 8.370 nan 0.000 0.524 773 K N 0.992 121.480 120.400 0.147 0.000 2.312 773 K HA 0.260 4.580 4.320 -0.000 0.000 0.287 773 K C -0.086 176.480 176.600 -0.057 0.000 1.062 773 K CA -0.382 55.939 56.287 0.056 0.000 0.934 773 K CB 1.203 33.695 32.500 -0.013 0.000 1.027 773 K HN -0.102 nan 8.250 nan 0.000 0.478 774 K N 2.002 122.288 120.400 -0.189 0.000 2.295 774 K HA 0.026 4.346 4.320 -0.000 0.000 0.270 774 K C 0.827 177.227 176.600 -0.333 0.000 1.011 774 K CA -0.229 55.742 56.287 -0.526 0.000 0.953 774 K CB 0.680 32.914 32.500 -0.443 0.000 0.956 774 K HN 0.379 nan 8.250 nan 0.000 0.477 775 Q N 1.046 120.622 119.800 -0.373 0.000 2.317 775 Q HA 0.236 4.576 4.340 -0.000 0.000 0.220 775 Q C -0.205 175.723 176.000 -0.120 0.000 0.873 775 Q CA 0.468 56.183 55.803 -0.147 0.000 0.936 775 Q CB 0.449 29.168 28.738 -0.033 0.000 1.105 775 Q HN 0.478 nan 8.270 nan 0.000 0.520 776 L N -0.032 121.061 121.223 -0.217 0.000 2.370 776 L HA 0.430 4.769 4.340 -0.000 0.000 0.266 776 L C 0.673 177.414 176.870 -0.214 0.000 1.002 776 L CA -0.420 54.310 54.840 -0.183 0.000 0.818 776 L CB 1.855 43.813 42.059 -0.168 0.000 1.325 776 L HN -0.142 nan 8.230 nan 0.000 0.418 777 L N 0.546 121.637 121.223 -0.220 0.000 2.664 777 L HA 0.312 4.652 4.340 -0.000 0.000 0.233 777 L C -0.370 176.382 176.870 -0.197 0.000 1.113 777 L CA 0.533 55.245 54.840 -0.214 0.000 0.896 777 L CB 0.758 42.656 42.059 -0.269 0.000 1.163 777 L HN 0.688 nan 8.230 nan 0.000 0.497 778 T N -0.420 114.013 114.554 -0.201 0.000 3.159 778 T HA 0.262 4.612 4.350 -0.000 0.000 0.343 778 T C -2.752 171.883 174.700 -0.109 0.000 1.364 778 T CA -0.926 61.089 62.100 -0.143 0.000 1.102 778 T CB 2.241 70.981 68.868 -0.213 0.000 1.263 778 T HN -0.300 nan 8.240 nan 0.000 0.477 779 P HA 0.114 nan 4.420 nan 0.000 0.269 779 P C -0.509 176.749 177.300 -0.070 0.000 1.211 779 P CA -0.660 62.407 63.100 -0.054 0.000 0.781 779 P CB 0.503 32.196 31.700 -0.012 0.000 0.877 780 L N 3.252 124.454 121.223 -0.034 0.000 2.295 780 L HA 0.255 4.595 4.340 -0.000 0.000 0.288 780 L C 0.560 177.324 176.870 -0.176 0.000 1.079 780 L CA 0.120 54.966 54.840 0.009 0.000 0.830 780 L CB -0.617 41.564 42.059 0.203 0.000 1.200 780 L HN 0.363 nan 8.230 nan 0.000 0.438 781 R N 1.836 122.153 120.500 -0.306 0.000 2.854 781 R HA 0.655 4.995 4.340 -0.000 0.000 0.271 781 R C -0.906 175.235 176.300 -0.266 0.000 0.994 781 R CA -1.052 54.719 56.100 -0.550 0.000 0.945 781 R CB 0.790 30.462 30.300 -1.047 0.000 1.194 781 R HN 0.345 nan 8.270 nan 0.000 0.476 782 D N 1.169 121.463 120.400 -0.176 0.000 2.472 782 D HA -0.027 4.613 4.640 -0.000 0.000 0.237 782 D C -0.580 175.295 176.300 -0.707 0.000 1.141 782 D CA 0.732 54.515 54.000 -0.361 0.000 0.875 782 D CB 0.629 41.277 40.800 -0.253 0.000 1.192 782 D HN 0.368 nan 8.370 nan 0.000 0.450 783 Q N 1.430 120.666 119.800 -0.940 0.000 2.347 783 Q HA 0.372 4.712 4.340 -0.000 0.000 0.271 783 Q C -1.187 174.155 176.000 -1.097 0.000 1.064 783 Q CA -0.626 54.664 55.803 -0.855 0.000 0.800 783 Q CB 0.840 29.308 28.738 -0.450 0.000 1.304 783 Q HN 0.458 nan 8.270 nan 0.000 0.438 784 F N 0.344 119.967 119.950 -0.546 0.000 2.798 784 F HA 0.181 4.708 4.527 -0.000 0.000 0.328 784 F C 0.562 175.973 175.800 -0.648 0.000 1.098 784 F CA -0.020 57.567 58.000 -0.689 0.000 1.172 784 F CB 1.201 39.585 39.000 -1.028 0.000 1.072 784 F HN 0.484 nan 8.300 nan 0.000 0.555 785 T N -0.980 113.301 114.554 -0.455 0.000 2.883 785 T HA 0.759 5.109 4.350 -0.000 0.000 0.284 785 T C -0.551 173.888 174.700 -0.435 0.000 1.041 785 T CA -0.919 60.809 62.100 -0.621 0.000 1.007 785 T CB 2.887 71.250 68.868 -0.842 0.000 1.220 785 T HN 0.215 nan 8.240 nan 0.000 0.552 786 R N -0.016 120.250 120.500 -0.391 0.000 2.651 786 R HA 0.707 5.047 4.340 -0.000 0.000 0.278 786 R C -0.869 175.474 176.300 0.073 0.000 1.010 786 R CA -0.961 55.062 56.100 -0.128 0.000 0.896 786 R CB 1.623 31.877 30.300 -0.076 0.000 1.211 786 R HN 0.908 nan 8.270 nan 0.000 0.456 787 A N 4.927 127.783 122.820 0.060 0.000 2.515 787 A HA 0.257 4.577 4.320 -0.000 0.000 0.263 787 A C -1.972 175.680 177.584 0.114 0.000 1.096 787 A CA -1.122 50.960 52.037 0.076 0.000 0.769 787 A CB -0.423 18.562 19.000 -0.024 0.000 1.040 787 A HN 0.592 nan 8.150 nan 0.000 0.505 788 P HA 0.120 nan 4.420 nan 0.000 0.265 788 P C -0.364 177.033 177.300 0.162 0.000 1.193 788 P CA 0.372 63.624 63.100 0.253 0.000 0.765 788 P CB 0.392 32.277 31.700 0.308 0.000 0.823 789 L N 2.432 123.727 121.223 0.121 0.000 2.456 789 L HA 0.190 4.530 4.340 -0.000 0.000 0.257 789 L C 1.926 178.799 176.870 0.006 0.000 1.162 789 L CA -0.511 54.339 54.840 0.016 0.000 0.808 789 L CB -0.036 41.970 42.059 -0.089 0.000 1.136 789 L HN 0.311 nan 8.230 nan 0.000 0.466 790 D N 0.696 121.045 120.400 -0.085 0.000 2.133 790 D HA -0.186 4.453 4.640 -0.000 0.000 0.192 790 D C 1.560 177.768 176.300 -0.154 0.000 1.001 790 D CA 1.655 55.531 54.000 -0.206 0.000 0.844 790 D CB 0.057 40.642 40.800 -0.358 0.000 0.944 790 D HN 0.524 nan 8.370 nan 0.000 0.447 791 N N 1.043 119.665 118.700 -0.129 0.000 2.289 791 N HA -0.104 4.636 4.740 -0.000 0.000 0.184 791 N C 1.111 176.615 175.510 -0.010 0.000 1.016 791 N CA 0.717 53.722 53.050 -0.074 0.000 0.872 791 N CB -0.192 38.238 38.487 -0.095 0.000 0.973 791 N HN 0.323 nan 8.380 nan 0.000 0.433 792 D N 0.156 120.561 120.400 0.009 0.000 2.289 792 D HA 0.058 4.698 4.640 -0.000 0.000 0.207 792 D C 1.879 178.217 176.300 0.062 0.000 0.966 792 D CA 0.276 54.313 54.000 0.063 0.000 0.868 792 D CB 0.374 41.257 40.800 0.139 0.000 0.943 792 D HN 0.328 nan 8.370 nan 0.000 0.514 793 I N 0.422 121.013 120.570 0.036 0.000 2.339 793 I HA 0.017 4.187 4.170 -0.000 0.000 0.245 793 I C 1.970 178.103 176.117 0.026 0.000 1.096 793 I CA 0.852 62.166 61.300 0.023 0.000 1.408 793 I CB -0.515 37.468 38.000 -0.028 0.000 1.092 793 I HN 0.061 nan 8.210 nan 0.000 0.423 794 G N 1.657 110.479 108.800 0.037 0.000 2.565 794 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.295 794 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.295 794 G C 0.600 175.670 174.900 0.282 0.000 1.165 794 G CA 0.902 46.097 45.100 0.157 0.000 0.977 794 G HN 0.458 nan 8.290 nan 0.000 0.546 795 V N -2.373 117.684 119.914 0.238 0.000 3.276 795 V HA 0.678 4.798 4.120 -0.000 0.000 0.319 795 V C 1.021 177.182 176.094 0.112 0.000 1.427 795 V CA 0.953 63.395 62.300 0.237 0.000 1.102 795 V CB 0.350 32.244 31.823 0.118 0.000 1.020 795 V HN 0.980 nan 8.190 nan 0.000 0.456 796 S N 1.349 117.096 115.700 0.077 0.000 2.560 796 S HA 0.388 4.858 4.470 -0.000 0.000 0.284 796 S C -0.045 174.579 174.600 0.039 0.000 1.327 796 S CA 0.281 58.504 58.200 0.039 0.000 1.055 796 S CB 0.595 63.808 63.200 0.021 0.000 0.868 796 S HN 0.798 nan 8.310 nan 0.000 0.506 797 E N 0.753 120.971 120.200 0.031 0.000 2.416 797 E HA 0.592 4.942 4.350 -0.000 0.000 0.273 797 E C 0.644 177.262 176.600 0.029 0.000 0.935 797 E CA -0.463 55.957 56.400 0.033 0.000 0.784 797 E CB 1.275 30.996 29.700 0.035 0.000 1.301 797 E HN 0.543 nan 8.360 nan 0.000 0.454 798 A N 0.330 123.171 122.820 0.035 0.000 1.873 798 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 798 A C 1.854 179.454 177.584 0.027 0.000 1.193 798 A CA 2.663 54.720 52.037 0.033 0.000 0.629 798 A CB -0.951 18.073 19.000 0.040 0.000 0.826 798 A HN 0.637 nan 8.150 nan 0.000 0.447 799 T N -1.254 113.316 114.554 0.026 0.000 2.896 799 T HA 0.067 4.417 4.350 -0.000 0.000 0.263 799 T C 1.096 175.804 174.700 0.013 0.000 1.050 799 T CA 0.937 63.049 62.100 0.020 0.000 1.140 799 T CB -0.024 68.857 68.868 0.021 0.000 0.877 799 T HN 0.360 nan 8.240 nan 0.000 0.457 800 R N 0.938 121.445 120.500 0.012 0.000 2.423 800 R HA 0.452 4.792 4.340 -0.000 0.000 0.293 800 R C -1.185 175.119 176.300 0.006 0.000 1.196 800 R CA -0.325 55.778 56.100 0.004 0.000 1.262 800 R CB 0.166 30.463 30.300 -0.005 0.000 1.116 800 R HN 0.247 nan 8.270 nan 0.000 0.566 801 I N 0.908 121.481 120.570 0.004 0.000 2.581 801 I HA 0.060 4.230 4.170 -0.000 0.000 0.288 801 I C 0.407 176.519 176.117 -0.008 0.000 1.047 801 I CA 0.003 61.304 61.300 0.002 0.000 1.374 801 I CB 0.897 38.898 38.000 0.003 0.000 1.423 801 I HN 0.313 nan 8.210 nan 0.000 0.549 802 D N 7.221 127.614 120.400 -0.013 0.000 2.462 802 D HA 0.332 4.972 4.640 -0.000 0.000 0.249 802 D C -1.900 174.368 176.300 -0.053 0.000 1.117 802 D CA -2.368 51.616 54.000 -0.026 0.000 0.900 802 D CB 1.243 42.035 40.800 -0.013 0.000 1.039 802 D HN 0.087 nan 8.370 nan 0.000 0.516 803 P HA -0.177 nan 4.420 nan 0.000 0.219 803 P C 0.556 177.776 177.300 -0.132 0.000 1.145 803 P CA 1.107 64.160 63.100 -0.078 0.000 0.813 803 P CB 0.221 31.883 31.700 -0.063 0.000 0.771 804 N N -1.116 117.497 118.700 -0.144 0.000 2.392 804 N HA 0.090 4.830 4.740 -0.000 0.000 0.177 804 N C 0.720 176.046 175.510 -0.308 0.000 1.066 804 N CA 0.038 52.949 53.050 -0.231 0.000 0.895 804 N CB -0.030 38.334 38.487 -0.205 0.000 0.988 804 N HN 0.058 nan 8.380 nan 0.000 0.457 805 A N 0.992 123.694 122.820 -0.197 0.000 2.587 805 A HA -0.104 4.216 4.320 -0.000 0.000 0.235 805 A C 0.753 178.161 177.584 -0.293 0.000 1.044 805 A CA -0.038 51.895 52.037 -0.173 0.000 0.754 805 A CB -0.145 18.814 19.000 -0.067 0.000 0.968 805 A HN 0.369 nan 8.150 nan 0.000 0.509 806 W N 2.062 123.128 121.300 -0.390 0.000 2.301 806 W HA -0.234 4.426 4.660 -0.000 0.000 0.325 806 W C 2.301 178.268 176.519 -0.920 0.000 1.250 806 W CA 2.078 58.958 57.345 -0.775 0.000 1.261 806 W CB -0.646 28.244 29.460 -0.949 0.000 1.157 806 W HN 0.568 nan 8.180 nan 0.000 0.473 807 V N 0.942 120.710 119.914 -0.243 0.000 2.511 807 V HA -0.329 3.791 4.120 -0.000 0.000 0.257 807 V C 2.144 178.315 176.094 0.128 0.000 1.088 807 V CA 2.277 64.654 62.300 0.129 0.000 1.098 807 V CB -0.408 31.527 31.823 0.187 0.000 0.674 807 V HN 0.162 nan 8.190 nan 0.000 0.470 808 E N -0.298 119.880 120.200 -0.037 0.000 2.076 808 E HA -0.107 4.243 4.350 -0.000 0.000 0.190 808 E C 2.384 178.968 176.600 -0.027 0.000 0.979 808 E CA 0.893 57.280 56.400 -0.022 0.000 0.807 808 E CB -0.296 29.369 29.700 -0.058 0.000 0.761 808 E HN 0.635 nan 8.360 nan 0.000 0.454 809 R N -0.007 120.405 120.500 -0.147 0.000 2.066 809 R HA -0.123 4.217 4.340 -0.000 0.000 0.232 809 R C 2.256 178.559 176.300 0.004 0.000 1.131 809 R CA 1.054 57.063 56.100 -0.151 0.000 0.955 809 R CB -0.478 29.611 30.300 -0.352 0.000 0.851 809 R HN 0.258 nan 8.270 nan 0.000 0.432 810 W N 1.919 123.184 121.300 -0.059 0.000 2.321 810 W HA -0.141 4.519 4.660 -0.000 0.000 0.306 810 W C 2.101 178.662 176.519 0.070 0.000 1.217 810 W CA 0.728 57.988 57.345 -0.141 0.000 1.257 810 W CB -0.654 28.868 29.460 0.103 0.000 1.145 810 W HN 0.143 nan 8.180 nan 0.000 0.509 811 K N -0.492 120.158 120.400 0.416 0.000 2.031 811 K HA -0.033 4.287 4.320 -0.000 0.000 0.205 811 K C 2.144 178.842 176.600 0.163 0.000 1.049 811 K CA 1.433 57.900 56.287 0.299 0.000 0.939 811 K CB -0.576 32.028 32.500 0.172 0.000 0.717 811 K HN 0.002 nan 8.250 nan 0.000 0.438 812 A N 0.987 123.878 122.820 0.118 0.000 2.121 812 A HA -0.002 4.318 4.320 -0.000 0.000 0.218 812 A C 2.035 179.680 177.584 0.101 0.000 1.154 812 A CA 1.536 53.627 52.037 0.090 0.000 0.679 812 A CB -0.253 18.778 19.000 0.052 0.000 0.795 812 A HN 0.317 nan 8.150 nan 0.000 0.458 813 A N -2.395 120.486 122.820 0.103 0.000 2.267 813 A HA 0.449 4.769 4.320 -0.000 0.000 0.213 813 A C 1.800 179.453 177.584 0.115 0.000 1.192 813 A CA 1.162 53.286 52.037 0.146 0.000 0.851 813 A CB -0.413 18.676 19.000 0.149 0.000 0.881 813 A HN 1.680 nan 8.150 nan 0.000 0.494 814 G N -1.307 107.446 108.800 -0.079 0.000 2.279 814 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.223 814 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.223 814 G C 0.938 175.830 174.900 -0.012 0.000 1.015 814 G CA 0.605 45.396 45.100 -0.514 0.000 0.621 814 G HN 0.597 nan 8.290 nan 0.000 0.506 815 H N -0.558 118.495 119.070 -0.029 0.000 2.365 815 H HA -0.314 4.242 4.556 -0.000 0.000 0.279 815 H C 2.161 177.463 175.328 -0.043 0.000 1.141 815 H CA 2.375 58.422 56.048 -0.002 0.000 1.135 815 H CB -0.168 29.540 29.762 -0.091 0.000 1.356 815 H HN 0.606 nan 8.280 nan 0.000 0.465 816 Y N 0.509 120.905 120.300 0.161 0.000 2.516 816 Y HA -0.083 4.467 4.550 -0.000 0.000 0.291 816 Y C 1.794 177.746 175.900 0.087 0.000 1.131 816 Y CA 1.038 59.195 58.100 0.095 0.000 1.281 816 Y CB 0.391 38.901 38.460 0.083 0.000 1.013 816 Y HN 0.408 nan 8.280 nan 0.000 0.554 817 Q N -0.876 119.044 119.800 0.201 0.000 2.088 817 Q HA 0.524 4.864 4.340 -0.000 0.000 0.270 817 Q C -0.389 175.747 176.000 0.227 0.000 0.854 817 Q CA -0.379 55.540 55.803 0.193 0.000 1.104 817 Q CB 0.467 29.313 28.738 0.179 0.000 1.251 817 Q HN 0.096 nan 8.270 nan 0.000 0.436 818 A N 1.440 124.403 122.820 0.237 0.000 2.363 818 A HA 0.377 4.697 4.320 -0.000 0.000 0.270 818 A C -0.213 177.625 177.584 0.424 0.000 1.121 818 A CA -0.435 51.796 52.037 0.323 0.000 0.800 818 A CB 0.411 19.587 19.000 0.293 0.000 1.052 818 A HN 0.432 nan 8.150 nan 0.000 0.493 819 E N 1.617 122.020 120.200 0.337 0.000 2.197 819 E HA 0.494 4.844 4.350 -0.000 0.000 0.281 819 E C -0.195 176.445 176.600 0.067 0.000 0.995 819 E CA -0.614 55.928 56.400 0.237 0.000 0.808 819 E CB 1.589 31.381 29.700 0.153 0.000 1.093 819 E HN 0.693 nan 8.360 nan 0.000 0.394 820 A N 2.324 125.049 122.820 -0.157 0.000 2.440 820 A HA 0.479 4.799 4.320 -0.000 0.000 0.251 820 A C -0.168 177.239 177.584 -0.295 0.000 1.089 820 A CA -0.183 51.418 52.037 -0.726 0.000 0.779 820 A CB 0.366 18.866 19.000 -0.832 0.000 1.022 820 A HN 0.649 nan 8.150 nan 0.000 0.492 821 A N 2.895 125.554 122.820 -0.269 0.000 2.340 821 A HA 0.549 4.869 4.320 -0.000 0.000 0.297 821 A C -0.501 177.043 177.584 -0.066 0.000 1.195 821 A CA -0.575 51.405 52.037 -0.095 0.000 0.769 821 A CB 0.421 19.393 19.000 -0.047 0.000 1.163 821 A HN 1.129 nan 8.150 nan 0.000 0.472 822 L N 3.151 124.323 121.223 -0.085 0.000 2.499 822 L HA 0.304 4.644 4.340 -0.000 0.000 0.273 822 L C 0.328 177.104 176.870 -0.157 0.000 1.195 822 L CA 0.348 55.058 54.840 -0.217 0.000 0.882 822 L CB 0.099 42.025 42.059 -0.221 0.000 1.133 822 L HN 0.718 nan 8.230 nan 0.000 0.483 823 L N 3.558 124.671 121.223 -0.183 0.000 3.039 823 L HA 0.409 4.748 4.340 -0.000 0.000 0.269 823 L C -0.058 176.751 176.870 -0.101 0.000 1.169 823 L CA -0.219 54.561 54.840 -0.100 0.000 0.986 823 L CB 0.038 42.068 42.059 -0.049 0.000 1.377 823 L HN 0.741 nan 8.230 nan 0.000 0.575 824 Q N 0.362 120.068 119.800 -0.158 0.000 2.520 824 Q HA 0.326 4.666 4.340 -0.000 0.000 0.237 824 Q C -2.082 173.849 176.000 -0.114 0.000 0.875 824 Q CA -0.363 55.377 55.803 -0.105 0.000 1.028 824 Q CB 1.848 30.550 28.738 -0.060 0.000 1.534 824 Q HN 0.102 nan 8.270 nan 0.000 0.471 825 C N 3.862 123.133 119.300 -0.047 0.000 2.346 825 C HA 0.927 5.387 4.460 -0.000 0.000 0.326 825 C C -0.609 174.450 174.990 0.115 0.000 1.224 825 C CA 0.453 59.493 59.018 0.037 0.000 1.408 825 C CB 0.748 28.533 27.740 0.075 0.000 2.089 825 C HN 0.794 nan 8.230 nan 0.000 0.456 826 T N 2.829 117.405 114.554 0.037 0.000 2.912 826 T HA 0.827 5.177 4.350 -0.000 0.000 0.299 826 T C -0.619 173.910 174.700 -0.286 0.000 1.052 826 T CA -0.316 61.762 62.100 -0.036 0.000 0.996 826 T CB 1.722 70.564 68.868 -0.043 0.000 1.070 826 T HN 1.175 nan 8.240 nan 0.000 0.465 827 A N 2.622 125.168 122.820 -0.457 0.000 2.340 827 A HA 0.837 5.157 4.320 -0.000 0.000 0.331 827 A C -0.806 176.568 177.584 -0.349 0.000 1.140 827 A CA -0.589 51.027 52.037 -0.701 0.000 0.801 827 A CB 1.067 19.185 19.000 -1.471 0.000 1.234 827 A HN 0.918 nan 8.150 nan 0.000 0.469 828 D N 0.161 120.382 120.400 -0.298 0.000 2.706 828 D HA 0.419 5.059 4.640 -0.000 0.000 0.225 828 D C -1.344 174.857 176.300 -0.165 0.000 1.241 828 D CA -0.029 53.862 54.000 -0.182 0.000 0.784 828 D CB 2.365 43.084 40.800 -0.135 0.000 1.521 828 D HN 0.470 nan 8.370 nan 0.000 0.461 829 T N 1.325 115.809 114.554 -0.116 0.000 2.829 829 T HA 0.627 4.977 4.350 -0.000 0.000 0.280 829 T C -0.008 174.651 174.700 -0.068 0.000 0.999 829 T CA -0.563 61.481 62.100 -0.094 0.000 0.983 829 T CB 1.524 70.346 68.868 -0.077 0.000 0.968 829 T HN 0.080 nan 8.240 nan 0.000 0.446 830 L N 1.132 122.318 121.223 -0.061 0.000 2.391 830 L HA 0.750 5.090 4.340 -0.000 0.000 0.266 830 L C 1.875 178.727 176.870 -0.031 0.000 1.035 830 L CA -0.642 54.171 54.840 -0.045 0.000 0.877 830 L CB -0.050 41.980 42.059 -0.048 0.000 1.504 830 L HN 0.728 nan 8.230 nan 0.000 0.503 831 A N -0.317 122.488 122.820 -0.025 0.000 1.877 831 A HA -0.155 4.164 4.320 -0.000 0.000 0.216 831 A C 1.221 178.796 177.584 -0.016 0.000 1.186 831 A CA 2.173 54.200 52.037 -0.017 0.000 0.620 831 A CB -0.698 18.293 19.000 -0.016 0.000 0.822 831 A HN 0.855 nan 8.150 nan 0.000 0.443 832 D N -2.073 118.314 120.400 -0.021 0.000 2.454 832 D HA 0.529 5.169 4.640 -0.000 0.000 0.214 832 D C 0.479 176.764 176.300 -0.025 0.000 1.088 832 D CA 0.745 54.734 54.000 -0.020 0.000 0.855 832 D CB 0.222 41.010 40.800 -0.022 0.000 1.025 832 D HN 0.523 nan 8.370 nan 0.000 0.502 833 A N -0.138 122.659 122.820 -0.039 0.000 2.599 833 A HA 0.609 4.929 4.320 -0.000 0.000 0.290 833 A C -1.399 176.135 177.584 -0.083 0.000 1.101 833 A CA -0.810 51.192 52.037 -0.057 0.000 0.674 833 A CB 1.056 20.017 19.000 -0.065 0.000 1.277 833 A HN -0.051 nan 8.150 nan 0.000 0.419 834 V N 0.627 120.473 119.914 -0.114 0.000 2.546 834 V HA 0.517 4.637 4.120 -0.000 0.000 0.284 834 V C -0.520 175.464 176.094 -0.182 0.000 1.050 834 V CA -0.319 61.887 62.300 -0.157 0.000 0.981 834 V CB 1.051 32.765 31.823 -0.182 0.000 0.990 834 V HN 0.728 nan 8.190 nan 0.000 0.474 835 L N 6.526 127.632 121.223 -0.195 0.000 2.319 835 L HA 0.589 4.929 4.340 -0.000 0.000 0.281 835 L C -0.453 176.262 176.870 -0.258 0.000 1.005 835 L CA 0.045 54.776 54.840 -0.182 0.000 0.828 835 L CB 1.044 43.028 42.059 -0.124 0.000 1.227 835 L HN 0.426 nan 8.230 nan 0.000 0.415 836 I N 3.348 123.752 120.570 -0.277 0.000 2.498 836 I HA 0.463 4.633 4.170 -0.000 0.000 0.301 836 I C 0.064 176.115 176.117 -0.109 0.000 0.984 836 I CA -0.381 60.712 61.300 -0.345 0.000 1.204 836 I CB 1.716 39.315 38.000 -0.667 0.000 1.362 836 I HN 0.502 nan 8.210 nan 0.000 0.471 837 T N 3.739 118.238 114.554 -0.091 0.000 2.881 837 T HA 0.532 4.882 4.350 -0.000 0.000 0.291 837 T C -0.151 174.565 174.700 0.027 0.000 0.990 837 T CA -0.470 61.626 62.100 -0.006 0.000 0.976 837 T CB 1.597 70.445 68.868 -0.033 0.000 0.970 837 T HN 0.802 nan 8.240 nan 0.000 0.438 838 T N 0.144 114.752 114.554 0.089 0.000 2.930 838 T HA 0.909 5.259 4.350 -0.000 0.000 0.290 838 T C -0.878 173.836 174.700 0.024 0.000 1.052 838 T CA -1.200 60.928 62.100 0.047 0.000 1.017 838 T CB 2.101 71.083 68.868 0.189 0.000 1.137 838 T HN 0.756 nan 8.240 nan 0.000 0.511 839 A N 1.986 124.726 122.820 -0.133 0.000 2.541 839 A HA 0.625 4.945 4.320 -0.000 0.000 0.285 839 A C -1.271 176.238 177.584 -0.125 0.000 1.058 839 A CA -0.948 51.080 52.037 -0.016 0.000 0.886 839 A CB 0.191 19.186 19.000 -0.008 0.000 1.411 839 A HN 0.988 nan 8.150 nan 0.000 0.403 840 H N 0.509 119.587 119.070 0.014 0.000 2.670 840 H HA 0.894 5.450 4.556 -0.000 0.000 0.361 840 H C -0.061 175.250 175.328 -0.028 0.000 1.169 840 H CA -1.173 54.792 56.048 -0.140 0.000 1.198 840 H CB 1.597 31.108 29.762 -0.419 0.000 1.700 840 H HN 0.903 nan 8.280 nan 0.000 0.542 841 A N 1.396 124.247 122.820 0.052 0.000 2.343 841 A HA 0.428 4.748 4.320 -0.000 0.000 0.308 841 A C -1.159 176.508 177.584 0.139 0.000 1.092 841 A CA -0.810 51.335 52.037 0.179 0.000 0.751 841 A CB 0.927 19.998 19.000 0.117 0.000 1.203 841 A HN 0.601 nan 8.150 nan 0.000 0.452 842 W N 1.869 123.278 121.300 0.181 0.000 2.315 842 W HA 0.435 5.095 4.660 -0.000 0.000 0.316 842 W C -0.054 176.465 176.519 -0.001 0.000 1.211 842 W CA -0.111 57.318 57.345 0.140 0.000 1.201 842 W CB 1.315 30.923 29.460 0.247 0.000 1.184 842 W HN 0.726 nan 8.180 nan 0.000 0.544 843 Q N 1.260 121.213 119.800 0.255 0.000 2.495 843 Q HA 0.434 4.774 4.340 -0.000 0.000 0.287 843 Q C -1.097 175.036 176.000 0.222 0.000 1.078 843 Q CA -0.941 54.955 55.803 0.155 0.000 0.793 843 Q CB 3.685 32.482 28.738 0.098 0.000 1.459 843 Q HN 0.439 nan 8.270 nan 0.000 0.422 844 H N 1.128 120.229 119.070 0.052 0.000 3.042 844 H HA 0.063 4.619 4.556 -0.000 0.000 0.345 844 H C -0.908 174.453 175.328 0.054 0.000 1.052 844 H CA -0.131 55.957 56.048 0.067 0.000 1.311 844 H CB 1.266 31.079 29.762 0.085 0.000 1.810 844 H HN 0.811 nan 8.280 nan 0.000 0.505 845 Q N 3.087 122.647 119.800 -0.399 0.000 2.395 845 Q HA -0.257 4.082 4.340 -0.000 0.000 0.326 845 Q C 0.892 176.834 176.000 -0.096 0.000 1.302 845 Q CA 1.147 56.780 55.803 -0.283 0.000 0.949 845 Q CB -1.466 27.043 28.738 -0.383 0.000 1.204 845 Q HN 1.123 nan 8.270 nan 0.000 0.444 846 G N -0.625 108.150 108.800 -0.042 0.000 2.175 846 G HA2 -0.331 3.628 3.960 -0.000 0.000 0.244 846 G HA3 -0.331 3.628 3.960 -0.000 0.000 0.244 846 G C 0.006 174.912 174.900 0.011 0.000 0.982 846 G CA 0.509 45.604 45.100 -0.009 0.000 0.641 846 G HN 0.389 nan 8.290 nan 0.000 0.527 847 K N 0.708 121.123 120.400 0.024 0.000 2.259 847 K HA 0.723 5.043 4.320 -0.000 0.000 0.249 847 K C -0.299 176.316 176.600 0.026 0.000 0.942 847 K CA -0.255 56.052 56.287 0.032 0.000 0.816 847 K CB 1.363 33.892 32.500 0.048 0.000 1.155 847 K HN -0.018 nan 8.250 nan 0.000 0.428 848 T N 5.167 119.726 114.554 0.008 0.000 2.832 848 T HA 0.266 4.616 4.350 -0.000 0.000 0.313 848 T C 1.103 175.736 174.700 -0.111 0.000 1.035 848 T CA -0.493 61.601 62.100 -0.010 0.000 0.950 848 T CB 0.230 69.115 68.868 0.028 0.000 0.984 848 T HN 0.501 nan 8.240 nan 0.000 0.486 849 L N 2.120 123.155 121.223 -0.314 0.000 2.007 849 L HA 0.173 4.513 4.340 -0.000 0.000 0.205 849 L C 0.097 176.449 176.870 -0.864 0.000 1.073 849 L CA 1.322 55.680 54.840 -0.803 0.000 0.744 849 L CB -0.200 40.860 42.059 -1.664 0.000 0.898 849 L HN 0.481 nan 8.230 nan 0.000 0.435 850 F N -1.545 118.367 119.950 -0.063 0.000 2.650 850 F HA 0.642 5.169 4.527 -0.000 0.000 0.320 850 F C -0.446 175.482 175.800 0.212 0.000 1.091 850 F CA -1.262 56.680 58.000 -0.097 0.000 0.962 850 F CB 1.377 39.992 39.000 -0.640 0.000 1.363 850 F HN -0.307 nan 8.300 nan 0.000 0.482 851 I N 1.239 122.069 120.570 0.434 0.000 2.529 851 I HA 0.247 4.417 4.170 -0.000 0.000 0.284 851 I C -0.895 175.504 176.117 0.471 0.000 1.088 851 I CA -0.388 61.173 61.300 0.435 0.000 1.062 851 I CB 1.959 40.118 38.000 0.265 0.000 1.218 851 I HN 0.545 nan 8.210 nan 0.000 0.442 852 S N 6.469 122.566 115.700 0.662 0.000 2.429 852 S HA 0.561 5.031 4.470 -0.000 0.000 0.302 852 S C -0.442 174.417 174.600 0.432 0.000 1.115 852 S CA -0.522 58.037 58.200 0.599 0.000 1.095 852 S CB 0.551 64.243 63.200 0.820 0.000 0.987 852 S HN 0.509 nan 8.310 nan 0.000 0.474 853 R N 3.747 124.423 120.500 0.293 0.000 2.409 853 R HA 0.474 4.814 4.340 -0.000 0.000 0.313 853 R C -0.680 175.696 176.300 0.126 0.000 0.953 853 R CA -0.698 55.518 56.100 0.193 0.000 0.849 853 R CB 1.698 32.086 30.300 0.146 0.000 1.171 853 R HN 0.605 nan 8.270 nan 0.000 0.458 854 K N 0.393 120.850 120.400 0.095 0.000 2.372 854 K HA 0.581 4.901 4.320 -0.000 0.000 0.251 854 K C -0.730 175.843 176.600 -0.045 0.000 1.055 854 K CA -1.030 55.235 56.287 -0.036 0.000 0.879 854 K CB 2.032 34.424 32.500 -0.180 0.000 1.384 854 K HN 0.489 nan 8.250 nan 0.000 0.465 855 T N -1.122 113.341 114.554 -0.151 0.000 3.031 855 T HA 0.453 4.803 4.350 -0.000 0.000 0.305 855 T C -1.276 173.357 174.700 -0.113 0.000 0.985 855 T CA -0.830 61.228 62.100 -0.069 0.000 1.008 855 T CB 0.054 68.901 68.868 -0.034 0.000 1.005 855 T HN 0.399 nan 8.240 nan 0.000 0.444 856 Y N 1.724 121.990 120.300 -0.055 0.000 2.361 856 Y HA 0.766 5.316 4.550 -0.000 0.000 0.332 856 Y C 0.729 176.545 175.900 -0.140 0.000 1.101 856 Y CA -1.750 56.318 58.100 -0.055 0.000 1.137 856 Y CB 1.186 39.681 38.460 0.059 0.000 1.207 856 Y HN 0.873 nan 8.280 nan 0.000 0.463 857 R N 3.994 124.510 120.500 0.028 0.000 2.569 857 R HA 0.505 4.845 4.340 -0.000 0.000 0.293 857 R C -2.159 174.062 176.300 -0.131 0.000 1.186 857 R CA -0.350 55.708 56.100 -0.070 0.000 0.956 857 R CB 0.511 30.782 30.300 -0.049 0.000 1.196 857 R HN 0.839 nan 8.270 nan 0.000 0.444 858 I N 4.452 124.878 120.570 -0.239 0.000 2.297 858 I HA 0.263 4.433 4.170 -0.000 0.000 0.291 858 I C -0.142 175.848 176.117 -0.211 0.000 1.033 858 I CA -0.806 60.269 61.300 -0.375 0.000 1.253 858 I CB 0.915 38.530 38.000 -0.641 0.000 1.396 858 I HN 0.657 nan 8.210 nan 0.000 0.476 859 D N 4.599 124.919 120.400 -0.134 0.000 2.569 859 D HA 0.249 4.889 4.640 -0.000 0.000 0.266 859 D C 1.307 177.597 176.300 -0.017 0.000 1.164 859 D CA -0.646 53.318 54.000 -0.061 0.000 1.071 859 D CB 0.948 41.725 40.800 -0.038 0.000 1.183 859 D HN 0.476 nan 8.370 nan 0.000 0.613 860 G N -0.834 107.968 108.800 0.002 0.000 2.485 860 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.221 860 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.221 860 G C 1.279 176.210 174.900 0.052 0.000 1.115 860 G CA 1.497 46.615 45.100 0.030 0.000 0.751 860 G HN 0.579 nan 8.290 nan 0.000 0.567 861 S N -0.693 115.031 115.700 0.040 0.000 2.522 861 S HA 0.344 4.814 4.470 -0.000 0.000 0.227 861 S C 1.753 176.408 174.600 0.091 0.000 0.986 861 S CA 0.937 59.172 58.200 0.059 0.000 0.929 861 S CB -0.044 63.183 63.200 0.044 0.000 0.769 861 S HN 1.589 nan 8.310 nan 0.000 0.529 862 G N 0.518 109.383 108.800 0.108 0.000 2.142 862 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.225 862 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.225 862 G C -0.360 174.635 174.900 0.158 0.000 1.015 862 G CA -0.173 45.052 45.100 0.210 0.000 0.716 862 G HN 0.573 nan 8.290 nan 0.000 0.508 863 Q N -0.891 118.935 119.800 0.044 0.000 2.306 863 Q HA 0.708 5.048 4.340 -0.000 0.000 0.265 863 Q C -0.044 175.914 176.000 -0.070 0.000 1.022 863 Q CA -0.726 55.095 55.803 0.030 0.000 0.853 863 Q CB 1.811 30.577 28.738 0.047 0.000 1.327 863 Q HN 0.333 nan 8.270 nan 0.000 0.449 864 M N 2.255 121.842 119.600 -0.022 0.000 2.065 864 M HA 0.461 4.941 4.480 -0.000 0.000 0.332 864 M C -1.338 175.016 176.300 0.090 0.000 0.988 864 M CA -0.463 54.812 55.300 -0.041 0.000 0.944 864 M CB 0.834 33.373 32.600 -0.100 0.000 1.357 864 M HN 0.696 nan 8.290 nan 0.000 0.388 865 A N 6.407 129.259 122.820 0.053 0.000 2.302 865 A HA 0.594 4.914 4.320 -0.000 0.000 0.295 865 A C -0.284 177.327 177.584 0.044 0.000 1.235 865 A CA -0.547 51.528 52.037 0.064 0.000 0.876 865 A CB 0.059 19.081 19.000 0.037 0.000 1.133 865 A HN 0.842 nan 8.150 nan 0.000 0.533 866 I N 1.431 122.017 120.570 0.026 0.000 2.566 866 I HA 0.500 4.670 4.170 -0.000 0.000 0.303 866 I C -0.028 175.980 176.117 -0.182 0.000 0.983 866 I CA -0.281 60.951 61.300 -0.114 0.000 1.235 866 I CB 1.765 39.705 38.000 -0.100 0.000 1.386 866 I HN 0.474 nan 8.210 nan 0.000 0.494 867 T N 3.800 118.186 114.554 -0.280 0.000 3.355 867 T HA 0.345 4.695 4.350 -0.000 0.000 0.324 867 T C -0.561 173.963 174.700 -0.294 0.000 0.932 867 T CA -0.384 61.566 62.100 -0.250 0.000 1.032 867 T CB 1.419 70.237 68.868 -0.085 0.000 1.027 867 T HN 0.289 nan 8.240 nan 0.000 0.456 868 V N 2.666 122.283 119.914 -0.494 0.000 2.435 868 V HA 0.652 4.772 4.120 -0.000 0.000 0.290 868 V C -0.464 175.552 176.094 -0.130 0.000 1.030 868 V CA -0.801 61.255 62.300 -0.407 0.000 0.881 868 V CB 1.738 33.080 31.823 -0.802 0.000 0.983 868 V HN 0.793 nan 8.190 nan 0.000 0.445 869 D N 2.803 123.266 120.400 0.107 0.000 2.476 869 D HA 0.533 5.173 4.640 -0.000 0.000 0.251 869 D C -0.744 175.713 176.300 0.262 0.000 1.291 869 D CA -0.095 54.053 54.000 0.247 0.000 0.939 869 D CB 2.026 42.979 40.800 0.255 0.000 1.221 869 D HN 0.363 nan 8.370 nan 0.000 0.567 870 V N 2.011 122.116 119.914 0.319 0.000 2.612 870 V HA 0.463 4.583 4.120 -0.000 0.000 0.301 870 V C 0.119 176.355 176.094 0.238 0.000 1.046 870 V CA -0.635 61.846 62.300 0.300 0.000 0.946 870 V CB 1.978 33.989 31.823 0.314 0.000 1.003 870 V HN 0.407 nan 8.190 nan 0.000 0.459 871 E N 2.004 122.328 120.200 0.206 0.000 2.218 871 E HA 0.539 4.889 4.350 -0.000 0.000 0.263 871 E C -1.612 175.093 176.600 0.176 0.000 0.879 871 E CA -0.448 56.049 56.400 0.162 0.000 0.762 871 E CB 2.308 32.094 29.700 0.144 0.000 1.166 871 E HN 0.476 nan 8.360 nan 0.000 0.415 872 V N 2.220 122.235 119.914 0.168 0.000 2.398 872 V HA 0.456 4.576 4.120 -0.000 0.000 0.286 872 V C 0.414 176.605 176.094 0.163 0.000 1.026 872 V CA -1.001 61.432 62.300 0.222 0.000 0.868 872 V CB 1.325 33.266 31.823 0.197 0.000 0.982 872 V HN 0.811 nan 8.190 nan 0.000 0.443 873 A N 3.413 126.308 122.820 0.125 0.000 2.561 873 A HA 0.263 4.583 4.320 -0.000 0.000 0.234 873 A C 1.598 179.259 177.584 0.128 0.000 1.055 873 A CA 0.649 52.740 52.037 0.089 0.000 0.756 873 A CB 0.250 19.275 19.000 0.042 0.000 0.986 873 A HN 1.361 nan 8.150 nan 0.000 0.505 874 S N 0.706 116.470 115.700 0.106 0.000 2.461 874 S HA -0.097 4.373 4.470 -0.000 0.000 0.228 874 S C 0.813 175.505 174.600 0.152 0.000 1.005 874 S CA 1.078 59.352 58.200 0.125 0.000 0.942 874 S CB -0.209 63.043 63.200 0.086 0.000 0.776 874 S HN 0.802 nan 8.310 nan 0.000 0.514 875 D N 0.497 120.970 120.400 0.122 0.000 2.395 875 D HA 0.146 4.786 4.640 -0.000 0.000 0.226 875 D C 0.062 176.440 176.300 0.131 0.000 1.146 875 D CA -0.051 54.015 54.000 0.110 0.000 0.830 875 D CB -0.059 40.785 40.800 0.073 0.000 0.958 875 D HN 0.220 nan 8.370 nan 0.000 0.501 876 T N 1.003 115.675 114.554 0.197 0.000 2.876 876 T HA 0.417 4.767 4.350 -0.000 0.000 0.289 876 T C -2.792 172.123 174.700 0.358 0.000 1.014 876 T CA -1.902 60.351 62.100 0.256 0.000 0.986 876 T CB 1.720 70.750 68.868 0.270 0.000 1.021 876 T HN -0.216 nan 8.240 nan 0.000 0.458 877 P HA 0.035 nan 4.420 nan 0.000 0.258 877 P C -0.458 177.217 177.300 0.625 0.000 1.172 877 P CA 0.043 63.314 63.100 0.285 0.000 0.762 877 P CB -0.011 31.813 31.700 0.207 0.000 0.764 878 H N 4.226 123.609 119.070 0.522 0.000 3.140 878 H HA 0.012 4.568 4.556 -0.000 0.000 0.316 878 H C -1.828 173.802 175.328 0.504 0.000 0.986 878 H CA -1.345 54.964 56.048 0.434 0.000 1.397 878 H CB -1.039 28.929 29.762 0.343 0.000 1.377 878 H HN 0.363 nan 8.280 nan 0.000 0.585 879 P HA 0.121 nan 4.420 nan 0.000 0.277 879 P C 0.385 177.573 177.300 -0.186 0.000 1.240 879 P CA -0.368 62.763 63.100 0.052 0.000 0.798 879 P CB 0.956 32.501 31.700 -0.258 0.000 0.979 880 A N 3.272 125.741 122.820 -0.585 0.000 1.948 880 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 880 A C 1.100 178.348 177.584 -0.559 0.000 1.177 880 A CA 1.685 53.369 52.037 -0.589 0.000 0.636 880 A CB -0.661 17.811 19.000 -0.880 0.000 0.815 880 A HN 0.785 nan 8.150 nan 0.000 0.449 881 R N -3.267 116.940 120.500 -0.489 0.000 2.741 881 R HA 0.703 5.043 4.340 -0.000 0.000 0.276 881 R C -1.878 174.248 176.300 -0.290 0.000 1.028 881 R CA -0.855 54.998 56.100 -0.411 0.000 0.865 881 R CB 0.574 30.630 30.300 -0.406 0.000 1.268 881 R HN 0.041 nan 8.270 nan 0.000 0.475 882 I N 1.193 121.624 120.570 -0.233 0.000 2.517 882 I HA 0.613 4.783 4.170 -0.000 0.000 0.280 882 I C -0.325 175.647 176.117 -0.242 0.000 1.061 882 I CA -0.264 60.958 61.300 -0.129 0.000 1.091 882 I CB 1.812 39.745 38.000 -0.112 0.000 1.205 882 I HN 0.976 nan 8.210 nan 0.000 0.459 883 G N 5.688 114.314 108.800 -0.290 0.000 2.677 883 G HA2 0.781 4.741 3.960 -0.000 0.000 0.283 883 G HA3 0.781 4.741 3.960 -0.000 0.000 0.283 883 G C -1.692 173.084 174.900 -0.206 0.000 1.221 883 G CA -0.526 44.420 45.100 -0.257 0.000 0.851 883 G HN 0.251 nan 8.290 nan 0.000 0.504 884 L N 1.048 122.179 121.223 -0.154 0.000 2.393 884 L HA 0.586 4.926 4.340 -0.000 0.000 0.260 884 L C -1.039 175.748 176.870 -0.140 0.000 1.002 884 L CA -1.117 53.644 54.840 -0.132 0.000 0.818 884 L CB 2.689 44.737 42.059 -0.018 0.000 1.369 884 L HN 0.821 nan 8.230 nan 0.000 0.412 885 N N 0.552 119.189 118.700 -0.105 0.000 2.647 885 N HA 0.775 5.515 4.740 -0.000 0.000 0.266 885 N C -1.221 174.311 175.510 0.036 0.000 1.373 885 N CA -0.629 52.401 53.050 -0.034 0.000 0.807 885 N CB 2.252 40.739 38.487 0.001 0.000 1.513 885 N HN 0.796 nan 8.380 nan 0.000 0.505 886 C N -2.446 116.905 119.300 0.085 0.000 3.307 886 C HA 0.544 5.004 4.460 -0.000 0.000 0.333 886 C C -0.933 173.934 174.990 -0.205 0.000 1.291 886 C CA -0.927 58.097 59.018 0.010 0.000 1.273 886 C CB 1.113 28.869 27.740 0.025 0.000 1.580 886 C HN 0.833 nan 8.230 nan 0.000 0.481 887 Q N 1.745 121.217 119.800 -0.546 0.000 2.430 887 Q HA 0.568 4.908 4.340 -0.000 0.000 0.245 887 Q C -0.682 175.019 176.000 -0.499 0.000 1.021 887 Q CA -0.358 54.853 55.803 -0.987 0.000 0.867 887 Q CB 0.571 28.245 28.738 -1.773 0.000 1.210 887 Q HN 0.769 nan 8.270 nan 0.000 0.487 888 L N 1.995 123.030 121.223 -0.313 0.000 2.473 888 L HA 0.188 4.528 4.340 -0.000 0.000 0.268 888 L C 1.134 177.908 176.870 -0.160 0.000 1.215 888 L CA -0.028 54.726 54.840 -0.144 0.000 0.823 888 L CB 0.418 42.477 42.059 0.001 0.000 1.099 888 L HN 0.741 nan 8.230 nan 0.000 0.483 889 A N 1.043 123.802 122.820 -0.101 0.000 1.984 889 A HA -0.016 4.304 4.320 -0.000 0.000 0.214 889 A C 1.059 178.610 177.584 -0.055 0.000 1.173 889 A CA 0.212 52.190 52.037 -0.099 0.000 0.673 889 A CB -0.124 18.815 19.000 -0.102 0.000 0.830 889 A HN 0.753 nan 8.150 nan 0.000 0.453 890 Q N -0.207 119.584 119.800 -0.014 0.000 2.428 890 Q HA 0.324 4.664 4.340 -0.000 0.000 0.276 890 Q C -0.883 175.106 176.000 -0.017 0.000 1.059 890 Q CA 0.932 56.719 55.803 -0.027 0.000 0.923 890 Q CB 0.629 29.372 28.738 0.008 0.000 1.283 890 Q HN 0.167 nan 8.270 nan 0.000 0.447 891 V N 3.453 123.325 119.914 -0.069 0.000 2.670 891 V HA 0.509 4.629 4.120 -0.000 0.000 0.258 891 V C -0.381 175.692 176.094 -0.035 0.000 0.906 891 V CA -0.126 62.189 62.300 0.024 0.000 0.887 891 V CB 0.617 32.452 31.823 0.020 0.000 1.059 891 V HN 0.936 nan 8.190 nan 0.000 0.484 892 A N 1.854 124.537 122.820 -0.228 0.000 2.292 892 A HA 0.554 4.874 4.320 -0.000 0.000 0.265 892 A C 1.048 178.697 177.584 0.108 0.000 1.133 892 A CA 0.080 52.000 52.037 -0.195 0.000 0.807 892 A CB 0.447 19.077 19.000 -0.617 0.000 1.102 892 A HN 0.592 nan 8.150 nan 0.000 0.502 893 E N -0.523 119.728 120.200 0.083 0.000 2.389 893 E HA 0.086 4.436 4.350 -0.000 0.000 0.199 893 E C 0.263 176.953 176.600 0.149 0.000 0.978 893 E CA 0.459 56.923 56.400 0.107 0.000 0.912 893 E CB 0.328 30.062 29.700 0.056 0.000 0.907 893 E HN 0.521 nan 8.360 nan 0.000 0.494 894 R N -0.061 120.551 120.500 0.186 0.000 2.867 894 R HA 0.578 4.918 4.340 -0.000 0.000 0.268 894 R C -0.919 175.551 176.300 0.285 0.000 1.014 894 R CA -0.758 55.459 56.100 0.195 0.000 0.946 894 R CB 2.467 32.853 30.300 0.144 0.000 1.208 894 R HN -0.205 nan 8.270 nan 0.000 0.477 895 V N 1.846 121.919 119.914 0.264 0.000 2.588 895 V HA 0.407 4.527 4.120 -0.000 0.000 0.304 895 V C -0.593 175.739 176.094 0.396 0.000 1.042 895 V CA -0.901 61.569 62.300 0.282 0.000 0.877 895 V CB 1.905 33.808 31.823 0.134 0.000 0.996 895 V HN 0.716 nan 8.190 nan 0.000 0.425 896 N N 3.762 122.695 118.700 0.388 0.000 2.260 896 N HA 0.565 5.305 4.740 -0.000 0.000 0.293 896 N C -1.428 174.376 175.510 0.490 0.000 1.058 896 N CA -0.509 52.782 53.050 0.403 0.000 0.824 896 N CB 3.019 41.620 38.487 0.190 0.000 1.551 896 N HN 0.843 nan 8.380 nan 0.000 0.475 897 W N 2.736 124.074 121.300 0.062 0.000 3.005 897 W HA 0.615 5.275 4.660 -0.000 0.000 0.343 897 W C -2.264 174.238 176.519 -0.028 0.000 1.243 897 W CA -1.055 56.310 57.345 0.034 0.000 1.186 897 W CB 0.779 30.287 29.460 0.080 0.000 1.453 897 W HN 0.309 nan 8.180 nan 0.000 0.575 898 L N 3.506 124.679 121.223 -0.084 0.000 2.316 898 L HA 0.920 5.260 4.340 -0.000 0.000 0.280 898 L C 0.034 176.811 176.870 -0.155 0.000 1.006 898 L CA 0.479 55.100 54.840 -0.366 0.000 0.836 898 L CB 0.995 42.898 42.059 -0.259 0.000 1.221 898 L HN 1.116 nan 8.230 nan 0.000 0.418 899 G N 3.450 112.046 108.800 -0.340 0.000 2.345 899 G HA2 0.134 4.094 3.960 -0.000 0.000 0.285 899 G HA3 0.134 4.094 3.960 -0.000 0.000 0.285 899 G C -1.537 173.544 174.900 0.302 0.000 1.297 899 G CA -1.125 44.057 45.100 0.137 0.000 0.875 899 G HN 0.496 nan 8.290 nan 0.000 0.506 900 L N 1.118 122.573 121.223 0.387 0.000 2.534 900 L HA 0.503 4.843 4.340 -0.000 0.000 0.271 900 L C 1.147 178.086 176.870 0.114 0.000 1.178 900 L CA 0.996 55.975 54.840 0.232 0.000 0.907 900 L CB -0.185 41.944 42.059 0.117 0.000 1.164 900 L HN 1.215 nan 8.230 nan 0.000 0.482 901 G N 3.308 111.907 108.800 -0.334 0.000 2.488 901 G HA2 0.384 4.344 3.960 -0.000 0.000 0.301 901 G HA3 0.384 4.344 3.960 -0.000 0.000 0.301 901 G C -2.789 170.993 174.900 -1.863 0.000 1.339 901 G CA -0.415 44.058 45.100 -1.045 0.000 0.803 901 G HN 0.260 nan 8.290 nan 0.000 0.482 902 P HA 0.092 nan 4.420 nan 0.000 0.235 902 P C 0.577 177.678 177.300 -0.331 0.000 1.177 902 P CA 0.545 63.093 63.100 -0.921 0.000 0.785 902 P CB 0.561 31.922 31.700 -0.566 0.000 0.885 903 Q N 0.509 120.106 119.800 -0.339 0.000 2.312 903 Q HA 0.133 4.473 4.340 -0.000 0.000 0.236 903 Q C 0.345 176.231 176.000 -0.190 0.000 0.965 903 Q CA -0.517 55.159 55.803 -0.211 0.000 0.894 903 Q CB 0.729 29.364 28.738 -0.172 0.000 1.225 903 Q HN 0.089 nan 8.270 nan 0.000 0.478 904 E N 1.657 121.760 120.200 -0.161 0.000 2.653 904 E HA -0.152 4.198 4.350 -0.000 0.000 0.264 904 E C -1.174 175.398 176.600 -0.047 0.000 0.949 904 E CA 0.435 56.761 56.400 -0.124 0.000 0.953 904 E CB 0.265 29.941 29.700 -0.039 0.000 0.925 904 E HN 0.619 nan 8.360 nan 0.000 0.475 905 N N 2.468 121.143 118.700 -0.041 0.000 2.516 905 N HA 0.227 4.967 4.740 -0.000 0.000 0.268 905 N C -2.029 173.487 175.510 0.010 0.000 1.096 905 N CA -0.662 52.419 53.050 0.051 0.000 0.954 905 N CB 0.449 38.903 38.487 -0.055 0.000 1.676 905 N HN 0.224 nan 8.380 nan 0.000 0.490 906 Y N 0.556 120.776 120.300 -0.133 0.000 2.587 906 Y HA 0.567 5.117 4.550 -0.000 0.000 0.337 906 Y C -1.567 174.294 175.900 -0.064 0.000 1.065 906 Y CA -2.196 55.835 58.100 -0.114 0.000 1.126 906 Y CB 1.100 39.495 38.460 -0.107 0.000 1.279 906 Y HN 0.404 nan 8.280 nan 0.000 0.489 907 P HA -0.193 nan 4.420 nan 0.000 0.216 907 P C 0.354 177.677 177.300 0.037 0.000 1.157 907 P CA 2.135 65.343 63.100 0.179 0.000 0.880 907 P CB 0.123 32.019 31.700 0.327 0.000 0.791 908 D N -1.413 118.787 120.400 -0.332 0.000 2.538 908 D HA 0.032 4.672 4.640 -0.000 0.000 0.234 908 D C 0.415 176.565 176.300 -0.250 0.000 1.191 908 D CA -0.162 53.403 54.000 -0.725 0.000 0.828 908 D CB -0.385 39.668 40.800 -1.245 0.000 0.981 908 D HN 0.179 nan 8.370 nan 0.000 0.490 909 R N 0.820 121.278 120.500 -0.070 0.000 2.986 909 R HA 0.128 4.468 4.340 -0.000 0.000 0.193 909 R C -1.101 175.221 176.300 0.037 0.000 1.533 909 R CA -0.191 55.907 56.100 -0.005 0.000 1.112 909 R CB -0.436 29.847 30.300 -0.029 0.000 1.546 909 R HN 0.128 nan 8.270 nan 0.000 0.605 910 L N -1.145 120.112 121.223 0.056 0.000 3.606 910 L HA 0.354 4.694 4.340 -0.000 0.000 0.336 910 L C 1.217 178.125 176.870 0.064 0.000 1.300 910 L CA 0.035 54.906 54.840 0.050 0.000 1.050 910 L CB 0.539 42.628 42.059 0.050 0.000 1.439 910 L HN 0.188 nan 8.230 nan 0.000 0.621 911 T N -2.699 111.907 114.554 0.087 0.000 2.904 911 T HA 0.062 4.412 4.350 -0.000 0.000 0.267 911 T C 1.736 176.444 174.700 0.013 0.000 1.059 911 T CA 1.231 63.395 62.100 0.107 0.000 1.137 911 T CB -0.118 68.865 68.868 0.190 0.000 0.879 911 T HN 0.374 nan 8.240 nan 0.000 0.467 912 A N 1.504 124.347 122.820 0.039 0.000 2.072 912 A HA 0.680 5.000 4.320 -0.000 0.000 0.216 912 A C 1.635 179.286 177.584 0.111 0.000 1.156 912 A CA 0.410 52.465 52.037 0.030 0.000 0.701 912 A CB -0.865 18.249 19.000 0.191 0.000 0.816 912 A HN 0.809 nan 8.150 nan 0.000 0.458 913 A N -0.451 122.382 122.820 0.021 0.000 2.492 913 A HA 0.399 4.719 4.320 -0.000 0.000 0.254 913 A C 0.141 177.727 177.584 0.004 0.000 1.091 913 A CA -0.071 51.943 52.037 -0.038 0.000 0.768 913 A CB -0.521 18.458 19.000 -0.035 0.000 1.028 913 A HN 0.446 nan 8.150 nan 0.000 0.498 914 C N 2.049 121.335 119.300 -0.024 0.000 2.366 914 C HA 0.512 4.972 4.460 -0.000 0.000 0.345 914 C C 0.151 175.240 174.990 0.165 0.000 1.209 914 C CA -0.334 58.721 59.018 0.062 0.000 2.050 914 C CB 0.379 28.140 27.740 0.035 0.000 2.359 914 C HN 0.785 nan 8.230 nan 0.000 0.527 915 F N 4.173 123.990 119.950 -0.222 0.000 2.375 915 F HA 0.414 4.941 4.527 -0.000 0.000 0.362 915 F C 0.272 175.787 175.800 -0.475 0.000 1.129 915 F CA 0.634 58.385 58.000 -0.414 0.000 1.154 915 F CB -0.213 38.134 39.000 -1.088 0.000 1.205 915 F HN 0.680 nan 8.300 nan 0.000 0.513 916 D N 3.752 123.688 120.400 -0.773 0.000 3.455 916 D HA 0.266 4.906 4.640 -0.000 0.000 0.320 916 D C -1.370 174.047 176.300 -1.470 0.000 1.401 916 D CA -0.726 52.571 54.000 -1.172 0.000 0.982 916 D CB 1.828 41.904 40.800 -1.206 0.000 1.397 916 D HN 0.465 nan 8.370 nan 0.000 0.607 917 R N 0.744 120.326 120.500 -1.531 0.000 2.320 917 R HA 0.404 4.744 4.340 -0.000 0.000 0.319 917 R C -1.433 174.011 176.300 -1.427 0.000 0.969 917 R CA -0.576 54.780 56.100 -1.240 0.000 0.857 917 R CB 0.448 30.325 30.300 -0.705 0.000 1.160 917 R HN 0.229 nan 8.270 nan 0.000 0.491 918 W N 2.276 122.973 121.300 -1.004 0.000 2.509 918 W HA 0.434 5.094 4.660 -0.000 0.000 0.351 918 W C -0.458 175.726 176.519 -0.557 0.000 1.107 918 W CA -0.590 56.166 57.345 -0.981 0.000 1.264 918 W CB 1.398 29.792 29.460 -1.777 0.000 1.312 918 W HN 0.508 nan 8.180 nan 0.000 0.608 919 D N 1.545 121.963 120.400 0.030 0.000 2.591 919 D HA 0.504 5.144 4.640 -0.000 0.000 0.222 919 D C -1.488 174.941 176.300 0.215 0.000 1.360 919 D CA -0.220 53.880 54.000 0.165 0.000 0.967 919 D CB 0.693 41.525 40.800 0.053 0.000 1.456 919 D HN 0.333 nan 8.370 nan 0.000 0.588 920 L N 3.192 124.591 121.223 0.294 0.000 2.359 920 L HA 0.708 5.048 4.340 -0.000 0.000 0.256 920 L C -2.266 174.706 176.870 0.171 0.000 1.026 920 L CA -2.385 52.581 54.840 0.210 0.000 0.828 920 L CB 2.099 44.293 42.059 0.224 0.000 1.406 920 L HN 0.235 nan 8.230 nan 0.000 0.413 921 P HA 0.037 nan 4.420 nan 0.000 0.271 921 P C 0.417 177.777 177.300 0.100 0.000 1.244 921 P CA -0.386 62.776 63.100 0.104 0.000 0.793 921 P CB 0.743 32.488 31.700 0.075 0.000 0.984 922 L N 1.471 122.750 121.223 0.094 0.000 2.141 922 L HA -0.115 4.225 4.340 -0.000 0.000 0.209 922 L C 2.385 179.285 176.870 0.050 0.000 1.094 922 L CA 2.041 56.917 54.840 0.061 0.000 0.763 922 L CB -1.364 40.736 42.059 0.070 0.000 0.908 922 L HN 0.366 nan 8.230 nan 0.000 0.437 923 S N -0.429 115.310 115.700 0.065 0.000 2.370 923 S HA -0.228 4.242 4.470 -0.000 0.000 0.226 923 S C 1.581 176.236 174.600 0.092 0.000 1.033 923 S CA 1.704 59.957 58.200 0.087 0.000 1.011 923 S CB -0.578 62.669 63.200 0.078 0.000 0.852 923 S HN 0.609 nan 8.310 nan 0.000 0.457 924 D N 1.009 121.441 120.400 0.054 0.000 2.384 924 D HA -0.006 4.634 4.640 -0.000 0.000 0.222 924 D C 1.306 177.600 176.300 -0.010 0.000 0.976 924 D CA 0.637 54.650 54.000 0.021 0.000 0.915 924 D CB -0.172 40.647 40.800 0.032 0.000 0.896 924 D HN 0.472 nan 8.370 nan 0.000 0.523 925 M N -0.603 119.002 119.600 0.007 0.000 2.495 925 M HA 0.076 4.556 4.480 -0.000 0.000 0.237 925 M C 0.031 176.337 176.300 0.009 0.000 1.131 925 M CA -0.069 55.198 55.300 -0.054 0.000 1.032 925 M CB -0.449 32.098 32.600 -0.087 0.000 1.513 925 M HN -0.043 nan 8.290 nan 0.000 0.488 926 Y N 0.417 120.668 120.300 -0.082 0.000 2.429 926 Y HA 0.482 5.032 4.550 -0.000 0.000 0.342 926 Y C -0.761 175.057 175.900 -0.136 0.000 1.004 926 Y CA -0.751 57.309 58.100 -0.068 0.000 1.075 926 Y CB 1.384 39.868 38.460 0.039 0.000 1.214 926 Y HN -0.119 nan 8.280 nan 0.000 0.455 927 T N 8.554 122.600 114.554 -0.848 0.000 2.842 927 T HA 0.266 4.616 4.350 -0.000 0.000 0.308 927 T C -2.566 171.344 174.700 -1.316 0.000 1.041 927 T CA -1.488 60.022 62.100 -0.983 0.000 0.964 927 T CB 1.110 69.470 68.868 -0.846 0.000 0.972 927 T HN 0.455 nan 8.240 nan 0.000 0.460 928 P HA 0.059 nan 4.420 nan 0.000 0.286 928 P C -0.465 176.677 177.300 -0.263 0.000 1.577 928 P CA -0.347 62.322 63.100 -0.718 0.000 0.805 928 P CB -0.870 30.532 31.700 -0.497 0.000 1.706 929 Y N -0.247 119.967 120.300 -0.144 0.000 2.804 929 Y HA -0.111 4.439 4.550 -0.000 0.000 0.338 929 Y C 2.213 178.152 175.900 0.064 0.000 1.252 929 Y CA -0.061 58.019 58.100 -0.034 0.000 1.576 929 Y CB -0.523 37.855 38.460 -0.136 0.000 1.223 929 Y HN -0.136 nan 8.280 nan 0.000 0.536 930 V N 3.806 123.932 119.914 0.355 0.000 2.311 930 V HA -0.346 3.774 4.120 -0.000 0.000 0.259 930 V C 0.734 177.011 176.094 0.306 0.000 1.086 930 V CA 1.922 64.411 62.300 0.315 0.000 1.078 930 V CB -0.769 31.265 31.823 0.352 0.000 0.668 930 V HN 0.627 nan 8.190 nan 0.000 0.452 931 F N 3.173 123.169 119.950 0.076 0.000 2.420 931 F HA 0.646 5.173 4.527 -0.000 0.000 0.342 931 F C -2.516 173.284 175.800 0.001 0.000 1.113 931 F CA -3.334 54.664 58.000 -0.003 0.000 1.059 931 F CB 1.424 40.334 39.000 -0.149 0.000 1.128 931 F HN -0.108 nan 8.300 nan 0.000 0.475 932 P HA 0.439 nan 4.420 nan 0.000 0.281 932 P C -1.386 175.631 177.300 -0.471 0.000 1.249 932 P CA -0.252 62.594 63.100 -0.424 0.000 0.810 932 P CB 1.786 33.286 31.700 -0.333 0.000 1.008 933 S N -0.709 114.885 115.700 -0.177 0.000 2.683 933 S HA 0.269 4.739 4.470 -0.000 0.000 0.264 933 S C -0.848 173.745 174.600 -0.011 0.000 1.066 933 S CA -0.914 57.218 58.200 -0.113 0.000 0.846 933 S CB -0.028 63.122 63.200 -0.084 0.000 1.114 933 S HN 0.400 nan 8.310 nan 0.000 0.476 934 E N 1.359 121.566 120.200 0.012 0.000 2.760 934 E HA 0.290 4.640 4.350 -0.000 0.000 0.268 934 E C 0.012 176.672 176.600 0.099 0.000 0.935 934 E CA 1.651 58.087 56.400 0.060 0.000 0.960 934 E CB -0.382 29.388 29.700 0.117 0.000 0.931 934 E HN 0.908 nan 8.360 nan 0.000 0.483 935 N N 1.255 120.031 118.700 0.127 0.000 3.373 935 N HA 0.425 5.165 4.740 -0.000 0.000 0.275 935 N C 0.542 176.091 175.510 0.066 0.000 1.489 935 N CA -0.443 52.708 53.050 0.168 0.000 0.872 935 N CB 0.060 38.631 38.487 0.140 0.000 1.555 935 N HN 0.735 nan 8.380 nan 0.000 0.500 936 G N -1.068 107.737 108.800 0.009 0.000 2.284 936 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.268 936 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.268 936 G C 0.162 174.871 174.900 -0.319 0.000 0.980 936 G CA 0.822 45.837 45.100 -0.140 0.000 0.631 936 G HN 0.840 nan 8.290 nan 0.000 0.548 937 L N 0.408 121.404 121.223 -0.378 0.000 2.484 937 L HA 0.335 4.675 4.340 -0.000 0.000 0.297 937 L C 0.850 177.230 176.870 -0.815 0.000 1.292 937 L CA 0.943 55.307 54.840 -0.793 0.000 0.827 937 L CB 0.313 41.533 42.059 -1.397 0.000 1.077 937 L HN 0.501 nan 8.230 nan 0.000 0.560 938 R N 2.416 122.340 120.500 -0.959 0.000 2.560 938 R HA 0.396 4.736 4.340 -0.000 0.000 0.267 938 R C -1.463 174.484 176.300 -0.590 0.000 1.150 938 R CA -0.808 54.830 56.100 -0.771 0.000 0.997 938 R CB 0.187 30.021 30.300 -0.775 0.000 1.250 938 R HN 0.580 nan 8.270 nan 0.000 0.433 939 C N -0.165 118.941 119.300 -0.324 0.000 2.547 939 C HA 0.764 5.224 4.460 -0.000 0.000 0.411 939 C C 1.442 176.401 174.990 -0.050 0.000 1.424 939 C CA 0.443 59.343 59.018 -0.197 0.000 1.848 939 C CB 1.091 28.750 27.740 -0.135 0.000 2.062 939 C HN 1.096 nan 8.230 nan 0.000 0.504 940 G N 1.662 110.445 108.800 -0.028 0.000 2.366 940 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.299 940 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.299 940 G C -0.118 174.840 174.900 0.096 0.000 1.020 940 G CA 0.550 45.679 45.100 0.049 0.000 1.026 940 G HN 0.817 nan 8.290 nan 0.000 0.512 941 T N 0.224 114.701 114.554 -0.128 0.000 2.733 941 T HA 0.455 4.805 4.350 -0.000 0.000 0.294 941 T C 1.567 175.976 174.700 -0.485 0.000 0.956 941 T CA -0.649 61.312 62.100 -0.233 0.000 0.987 941 T CB 1.577 70.228 68.868 -0.362 0.000 0.920 941 T HN 0.346 nan 8.240 nan 0.000 0.470 942 R N 1.879 122.335 120.500 -0.075 0.000 2.090 942 R HA 0.201 4.541 4.340 -0.000 0.000 0.219 942 R C 0.719 177.081 176.300 0.103 0.000 1.100 942 R CA 0.545 56.668 56.100 0.038 0.000 0.991 942 R CB 0.423 30.841 30.300 0.197 0.000 0.893 942 R HN 0.580 nan 8.270 nan 0.000 0.443 943 E N 0.897 121.167 120.200 0.117 0.000 2.263 943 E HA 0.259 4.609 4.350 -0.000 0.000 0.268 943 E C -1.877 174.862 176.600 0.232 0.000 0.884 943 E CA -0.616 55.911 56.400 0.211 0.000 0.766 943 E CB 1.735 31.523 29.700 0.147 0.000 1.196 943 E HN -0.135 nan 8.360 nan 0.000 0.416 944 L N 5.029 126.434 121.223 0.303 0.000 2.372 944 L HA 0.479 4.819 4.340 -0.000 0.000 0.274 944 L C -1.589 175.473 176.870 0.321 0.000 0.988 944 L CA -0.445 54.499 54.840 0.173 0.000 0.833 944 L CB 1.346 43.288 42.059 -0.196 0.000 1.236 944 L HN 0.411 nan 8.230 nan 0.000 0.410 945 N N 5.060 123.921 118.700 0.269 0.000 2.417 945 N HA 0.320 5.060 4.740 -0.000 0.000 0.274 945 N C -1.836 173.906 175.510 0.387 0.000 0.987 945 N CA -0.390 52.849 53.050 0.315 0.000 0.912 945 N CB 2.041 40.652 38.487 0.208 0.000 1.177 945 N HN 0.519 nan 8.380 nan 0.000 0.490 946 Y N 1.504 121.981 120.300 0.295 0.000 2.354 946 Y HA 0.410 4.960 4.550 -0.000 0.000 0.330 946 Y C 0.620 176.665 175.900 0.243 0.000 1.011 946 Y CA 0.064 58.301 58.100 0.227 0.000 1.099 946 Y CB 0.879 39.459 38.460 0.200 0.000 1.179 946 Y HN 0.884 nan 8.280 nan 0.000 0.442 947 G N 6.649 115.333 108.800 -0.195 0.000 2.566 947 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.280 947 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.280 947 G C -1.710 173.151 174.900 -0.065 0.000 1.225 947 G CA 0.013 44.991 45.100 -0.204 0.000 0.966 947 G HN 0.571 nan 8.290 nan 0.000 0.560 948 P HA 0.094 nan 4.420 nan 0.000 0.236 948 P C 0.504 177.679 177.300 -0.208 0.000 1.177 948 P CA 1.306 64.281 63.100 -0.207 0.000 0.773 948 P CB -0.102 31.371 31.700 -0.378 0.000 0.878 949 H N -0.484 118.556 119.070 -0.050 0.000 2.508 949 H HA 0.575 5.131 4.556 -0.000 0.000 0.358 949 H C 0.394 175.618 175.328 -0.173 0.000 1.212 949 H CA -0.221 55.716 56.048 -0.186 0.000 1.356 949 H CB 0.522 30.001 29.762 -0.470 0.000 1.525 949 H HN -0.044 nan 8.280 nan 0.000 0.578 950 Q N 0.944 120.607 119.800 -0.228 0.000 2.340 950 Q HA 0.270 4.610 4.340 -0.000 0.000 0.276 950 Q C -1.834 174.105 176.000 -0.102 0.000 1.048 950 Q CA -0.719 55.080 55.803 -0.006 0.000 0.832 950 Q CB 1.984 30.771 28.738 0.080 0.000 1.373 950 Q HN 0.661 nan 8.270 nan 0.000 0.409 951 W N 2.487 123.786 121.300 -0.002 0.000 2.820 951 W HA 0.697 5.356 4.660 -0.000 0.000 0.350 951 W C -0.301 176.305 176.519 0.145 0.000 1.116 951 W CA -0.978 56.345 57.345 -0.035 0.000 1.146 951 W CB 2.405 31.684 29.460 -0.302 0.000 1.433 951 W HN 0.514 nan 8.180 nan 0.000 0.561 952 R N -0.013 120.745 120.500 0.429 0.000 2.604 952 R HA 0.601 4.941 4.340 -0.000 0.000 0.270 952 R C -0.078 176.477 176.300 0.424 0.000 1.052 952 R CA -0.244 56.104 56.100 0.412 0.000 0.902 952 R CB 2.326 32.789 30.300 0.270 0.000 1.233 952 R HN 0.803 nan 8.270 nan 0.000 0.455 953 G N 1.184 110.251 108.800 0.446 0.000 2.480 953 G HA2 0.008 3.968 3.960 -0.000 0.000 0.109 953 G HA3 0.008 3.968 3.960 -0.000 0.000 0.109 953 G C -1.872 173.210 174.900 0.304 0.000 1.172 953 G CA -0.274 45.056 45.100 0.383 0.000 1.091 953 G HN 0.498 nan 8.290 nan 0.000 0.464 954 D N 0.048 120.646 120.400 0.330 0.000 2.365 954 D HA 0.628 5.268 4.640 -0.000 0.000 0.235 954 D C -0.630 175.722 176.300 0.087 0.000 1.368 954 D CA -0.344 53.705 54.000 0.083 0.000 1.001 954 D CB 0.521 41.379 40.800 0.096 0.000 1.364 954 D HN 0.722 nan 8.370 nan 0.000 0.577 955 F N 0.139 120.086 119.950 -0.006 0.000 3.090 955 F HA 0.640 5.167 4.527 -0.000 0.000 0.324 955 F C -1.491 174.271 175.800 -0.064 0.000 1.189 955 F CA -1.049 56.882 58.000 -0.114 0.000 0.907 955 F CB 0.532 39.454 39.000 -0.131 0.000 1.445 955 F HN -0.003 nan 8.300 nan 0.000 0.500 956 Q N 1.394 121.251 119.800 0.095 0.000 2.423 956 Q HA 0.685 5.025 4.340 -0.000 0.000 0.278 956 Q C -1.514 174.538 176.000 0.086 0.000 1.097 956 Q CA -0.509 55.266 55.803 -0.048 0.000 0.809 956 Q CB 2.992 31.571 28.738 -0.264 0.000 1.391 956 Q HN 0.918 nan 8.270 nan 0.000 0.428 957 F N -0.985 118.824 119.950 -0.236 0.000 2.685 957 F HA 0.785 5.312 4.527 -0.000 0.000 0.315 957 F C -1.746 173.815 175.800 -0.397 0.000 1.126 957 F CA -1.043 56.781 58.000 -0.294 0.000 0.950 957 F CB 1.635 40.489 39.000 -0.243 0.000 1.360 957 F HN 0.630 nan 8.300 nan 0.000 0.469 958 N N 0.952 119.533 118.700 -0.197 0.000 2.264 958 N HA 0.638 5.378 4.740 -0.000 0.000 0.288 958 N C -2.150 173.320 175.510 -0.065 0.000 1.094 958 N CA -0.701 52.214 53.050 -0.225 0.000 0.817 958 N CB 2.565 40.908 38.487 -0.241 0.000 1.604 958 N HN 1.083 nan 8.380 nan 0.000 0.473 959 I N 1.407 121.926 120.570 -0.085 0.000 2.531 959 I HA 0.564 4.734 4.170 -0.000 0.000 0.283 959 I C -1.066 174.976 176.117 -0.125 0.000 1.083 959 I CA 0.017 61.231 61.300 -0.143 0.000 1.071 959 I CB 0.870 38.708 38.000 -0.271 0.000 1.210 959 I HN 0.967 nan 8.210 nan 0.000 0.450 960 S N 6.537 122.191 115.700 -0.076 0.000 2.903 960 S HA 0.592 5.062 4.470 -0.000 0.000 0.314 960 S C 0.143 174.638 174.600 -0.176 0.000 1.177 960 S CA -0.890 57.255 58.200 -0.093 0.000 0.859 960 S CB 1.930 65.145 63.200 0.026 0.000 1.265 960 S HN 0.569 nan 8.310 nan 0.000 0.584 961 R N -0.046 120.157 120.500 -0.496 0.000 2.466 961 R HA 0.284 4.624 4.340 -0.000 0.000 0.279 961 R C -1.090 174.761 176.300 -0.749 0.000 0.976 961 R CA 0.166 55.923 56.100 -0.572 0.000 1.081 961 R CB -0.529 29.386 30.300 -0.642 0.000 1.215 961 R HN 0.618 nan 8.270 nan 0.000 0.546 962 Y N -0.052 120.206 120.300 -0.070 0.000 2.409 962 Y HA 0.270 4.820 4.550 -0.000 0.000 0.343 962 Y C 0.728 176.412 175.900 -0.360 0.000 0.973 962 Y CA -1.205 56.781 58.100 -0.190 0.000 1.064 962 Y CB 1.394 39.683 38.460 -0.285 0.000 1.207 962 Y HN -0.103 nan 8.280 nan 0.000 0.452 963 S N 1.377 116.785 115.700 -0.487 0.000 2.632 963 S HA 0.130 4.600 4.470 -0.000 0.000 0.267 963 S C 0.846 175.139 174.600 -0.513 0.000 1.276 963 S CA -0.818 56.749 58.200 -1.056 0.000 0.998 963 S CB 1.188 63.609 63.200 -1.298 0.000 0.953 963 S HN 0.704 nan 8.310 nan 0.000 0.547 964 Q N 0.739 120.233 119.800 -0.510 0.000 2.061 964 Q HA -0.222 4.118 4.340 -0.000 0.000 0.204 964 Q C 2.180 178.048 176.000 -0.219 0.000 0.984 964 Q CA 1.884 57.522 55.803 -0.275 0.000 0.846 964 Q CB -0.696 27.909 28.738 -0.222 0.000 0.902 964 Q HN 0.938 nan 8.270 nan 0.000 0.421 965 Q N 0.594 120.240 119.800 -0.256 0.000 2.135 965 Q HA -0.221 4.119 4.340 -0.000 0.000 0.204 965 Q C 2.046 177.959 176.000 -0.146 0.000 0.981 965 Q CA 1.414 57.122 55.803 -0.160 0.000 0.856 965 Q CB 0.059 28.723 28.738 -0.123 0.000 0.902 965 Q HN 0.449 nan 8.270 nan 0.000 0.425 966 Q N 0.015 119.706 119.800 -0.182 0.000 2.016 966 Q HA -0.136 4.204 4.340 -0.000 0.000 0.200 966 Q C 2.408 178.304 176.000 -0.173 0.000 0.978 966 Q CA 1.157 56.867 55.803 -0.155 0.000 0.833 966 Q CB -0.073 28.567 28.738 -0.164 0.000 0.895 966 Q HN 0.444 nan 8.270 nan 0.000 0.427 967 L N 0.454 121.565 121.223 -0.186 0.000 1.976 967 L HA -0.309 4.031 4.340 -0.000 0.000 0.223 967 L C 2.733 179.472 176.870 -0.219 0.000 1.081 967 L CA 1.971 56.688 54.840 -0.206 0.000 0.784 967 L CB -0.633 41.329 42.059 -0.161 0.000 0.896 967 L HN 0.444 nan 8.230 nan 0.000 0.438 968 M N -0.792 118.710 119.600 -0.165 0.000 2.623 968 M HA -0.196 4.284 4.480 -0.000 0.000 0.258 968 M C 1.510 177.733 176.300 -0.129 0.000 1.067 968 M CA 1.669 56.885 55.300 -0.140 0.000 1.068 968 M CB -0.037 32.514 32.600 -0.081 0.000 1.409 968 M HN 0.272 nan 8.290 nan 0.000 0.504 969 E N -0.455 119.668 120.200 -0.129 0.000 2.413 969 E HA 0.086 4.436 4.350 -0.000 0.000 0.203 969 E C -0.175 176.372 176.600 -0.088 0.000 0.957 969 E CA 0.250 56.596 56.400 -0.089 0.000 0.950 969 E CB 0.675 30.336 29.700 -0.065 0.000 0.957 969 E HN 0.412 nan 8.360 nan 0.000 0.497 970 T N 0.820 115.292 114.554 -0.136 0.000 2.817 970 T HA 0.081 4.431 4.350 -0.000 0.000 0.293 970 T C 1.210 175.824 174.700 -0.143 0.000 0.964 970 T CA -0.264 61.759 62.100 -0.128 0.000 1.085 970 T CB 1.623 70.383 68.868 -0.180 0.000 0.921 970 T HN 0.015 nan 8.240 nan 0.000 0.502 971 S N 1.712 117.407 115.700 -0.008 0.000 2.446 971 S HA 0.012 4.482 4.470 -0.000 0.000 0.225 971 S C 0.298 174.893 174.600 -0.009 0.000 1.016 971 S CA 0.290 58.542 58.200 0.086 0.000 0.943 971 S CB -0.354 63.012 63.200 0.276 0.000 0.786 971 S HN 0.776 nan 8.310 nan 0.000 0.508 972 H N 0.817 119.892 119.070 0.009 0.000 2.538 972 H HA 0.525 5.081 4.556 -0.000 0.000 0.353 972 H C 0.972 176.295 175.328 -0.010 0.000 1.109 972 H CA -0.792 55.311 56.048 0.092 0.000 1.192 972 H CB 1.399 31.239 29.762 0.130 0.000 1.555 972 H HN 0.191 nan 8.280 nan 0.000 0.518 973 R N 1.900 122.514 120.500 0.189 0.000 2.293 973 R HA -0.127 4.213 4.340 -0.000 0.000 0.219 973 R C 0.492 176.833 176.300 0.069 0.000 1.091 973 R CA 1.473 57.616 56.100 0.073 0.000 1.004 973 R CB -0.282 30.082 30.300 0.106 0.000 0.865 973 R HN 0.739 nan 8.270 nan 0.000 0.469 974 H N 0.169 119.245 119.070 0.010 0.000 2.539 974 H HA 0.160 4.716 4.556 -0.000 0.000 0.269 974 H C 1.138 176.404 175.328 -0.105 0.000 0.980 974 H CA -0.031 55.989 56.048 -0.046 0.000 1.152 974 H CB 0.115 29.849 29.762 -0.048 0.000 1.407 974 H HN 0.292 nan 8.280 nan 0.000 0.564 975 L N 0.649 121.600 121.223 -0.453 0.000 2.638 975 L HA 0.279 4.619 4.340 -0.000 0.000 0.232 975 L C 0.606 177.371 176.870 -0.175 0.000 1.099 975 L CA -0.065 54.547 54.840 -0.380 0.000 0.883 975 L CB 0.346 42.160 42.059 -0.407 0.000 1.136 975 L HN 0.042 nan 8.230 nan 0.000 0.492 976 L N 1.100 122.204 121.223 -0.199 0.000 2.436 976 L HA 0.207 4.547 4.340 -0.000 0.000 0.265 976 L C 0.057 176.879 176.870 -0.080 0.000 1.168 976 L CA -0.139 54.549 54.840 -0.253 0.000 0.815 976 L CB 0.456 42.226 42.059 -0.481 0.000 1.109 976 L HN 0.204 nan 8.230 nan 0.000 0.462 977 H N 0.909 120.038 119.070 0.099 0.000 2.851 977 H HA 0.603 5.159 4.556 -0.000 0.000 0.372 977 H C -0.964 174.452 175.328 0.148 0.000 1.158 977 H CA -1.248 54.865 56.048 0.109 0.000 1.159 977 H CB 1.471 31.247 29.762 0.023 0.000 1.757 977 H HN 0.664 nan 8.280 nan 0.000 0.546 978 A N 3.153 126.056 122.820 0.139 0.000 2.488 978 A HA 0.113 4.433 4.320 -0.000 0.000 0.249 978 A C 0.434 178.033 177.584 0.026 0.000 1.083 978 A CA -0.341 51.613 52.037 -0.137 0.000 0.768 978 A CB -0.037 18.861 19.000 -0.171 0.000 1.017 978 A HN 0.783 nan 8.150 nan 0.000 0.496 979 E N 1.366 121.535 120.200 -0.051 0.000 2.369 979 E HA 0.049 4.399 4.350 -0.000 0.000 0.255 979 E C 0.580 177.180 176.600 0.000 0.000 1.172 979 E CA -0.399 56.048 56.400 0.078 0.000 0.932 979 E CB 0.762 30.585 29.700 0.206 0.000 1.040 979 E HN 0.846 nan 8.360 nan 0.000 0.454 980 E N 0.771 120.970 120.200 -0.001 0.000 2.049 980 E HA -0.182 4.167 4.350 -0.000 0.000 0.198 980 E C 1.159 177.702 176.600 -0.095 0.000 1.007 980 E CA 1.521 57.892 56.400 -0.049 0.000 0.809 980 E CB -0.016 29.652 29.700 -0.053 0.000 0.749 980 E HN 0.588 nan 8.360 nan 0.000 0.450 981 G N -1.146 107.552 108.800 -0.171 0.000 3.329 981 G HA2 0.226 4.186 3.960 -0.000 0.000 0.180 981 G HA3 0.226 4.186 3.960 -0.000 0.000 0.180 981 G C -0.421 174.395 174.900 -0.139 0.000 1.640 981 G CA -0.034 44.961 45.100 -0.175 0.000 1.018 981 G HN 0.150 nan 8.290 nan 0.000 0.581 982 T N -0.285 114.174 114.554 -0.159 0.000 2.886 982 T HA 0.411 4.761 4.350 -0.000 0.000 0.292 982 T C -1.757 172.846 174.700 -0.161 0.000 1.012 982 T CA -0.135 61.921 62.100 -0.074 0.000 0.982 982 T CB 1.926 70.861 68.868 0.112 0.000 1.018 982 T HN 0.362 nan 8.240 nan 0.000 0.451 983 W N 2.634 123.848 121.300 -0.143 0.000 2.520 983 W HA 0.719 5.379 4.660 -0.000 0.000 0.323 983 W C -0.658 175.751 176.519 -0.184 0.000 1.062 983 W CA -0.796 56.465 57.345 -0.139 0.000 1.215 983 W CB 1.331 30.712 29.460 -0.132 0.000 1.340 983 W HN 0.461 nan 8.180 nan 0.000 0.516 984 L N 5.140 126.420 121.223 0.095 0.000 2.406 984 L HA 0.519 4.859 4.340 -0.000 0.000 0.272 984 L C -1.125 175.675 176.870 -0.117 0.000 0.980 984 L CA -0.339 54.432 54.840 -0.115 0.000 0.831 984 L CB 0.995 42.854 42.059 -0.333 0.000 1.253 984 L HN 0.347 nan 8.230 nan 0.000 0.406 985 N N 7.042 125.656 118.700 -0.143 0.000 2.417 985 N HA 0.487 5.227 4.740 -0.000 0.000 0.274 985 N C -1.190 174.200 175.510 -0.201 0.000 0.987 985 N CA -0.377 52.578 53.050 -0.158 0.000 0.912 985 N CB 2.380 40.784 38.487 -0.139 0.000 1.177 985 N HN 0.529 nan 8.380 nan 0.000 0.490 986 I N 1.932 122.350 120.570 -0.254 0.000 2.382 986 I HA 0.190 4.360 4.170 -0.000 0.000 0.285 986 I C -0.689 175.280 176.117 -0.247 0.000 1.007 986 I CA -0.629 60.489 61.300 -0.305 0.000 1.142 986 I CB 1.527 39.196 38.000 -0.550 0.000 1.289 986 I HN 0.204 nan 8.210 nan 0.000 0.453 987 D N 4.830 125.113 120.400 -0.195 0.000 2.233 987 D HA 0.258 4.898 4.640 -0.000 0.000 0.240 987 D C 0.985 176.996 176.300 -0.482 0.000 1.074 987 D CA -0.112 53.716 54.000 -0.287 0.000 0.838 987 D CB 2.437 43.142 40.800 -0.160 0.000 1.124 987 D HN 0.696 nan 8.370 nan 0.000 0.475 988 G N 1.617 109.830 108.800 -0.978 0.000 2.404 988 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.214 988 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.214 988 G C 0.082 174.069 174.900 -1.520 0.000 1.189 988 G CA 0.586 44.767 45.100 -1.532 0.000 0.789 988 G HN 0.408 nan 8.290 nan 0.000 0.533 989 F N -1.428 118.304 119.950 -0.364 0.000 2.591 989 F HA 0.508 5.035 4.527 -0.000 0.000 0.309 989 F C -0.551 175.128 175.800 -0.203 0.000 1.098 989 F CA -1.168 56.695 58.000 -0.229 0.000 0.937 989 F CB 2.032 40.834 39.000 -0.331 0.000 1.250 989 F HN -0.026 nan 8.300 nan 0.000 0.447 990 H N 3.926 122.982 119.070 -0.023 0.000 2.667 990 H HA 0.485 5.040 4.556 -0.000 0.000 0.353 990 H C -0.931 174.400 175.328 0.006 0.000 1.072 990 H CA -0.728 55.277 56.048 -0.072 0.000 1.214 990 H CB 2.252 31.930 29.762 -0.140 0.000 1.600 990 H HN 0.892 nan 8.280 nan 0.000 0.527 991 M N 3.231 122.665 119.600 -0.276 0.000 2.202 991 M HA 0.406 4.886 4.480 -0.000 0.000 0.316 991 M C 0.137 176.489 176.300 0.086 0.000 1.138 991 M CA -0.004 55.259 55.300 -0.062 0.000 1.151 991 M CB 0.725 33.235 32.600 -0.150 0.000 1.422 991 M HN 0.606 nan 8.290 nan 0.000 0.471 992 G N 1.315 110.164 108.800 0.082 0.000 2.614 992 G HA2 0.359 4.319 3.960 -0.000 0.000 0.239 992 G HA3 0.359 4.319 3.960 -0.000 0.000 0.239 992 G C 0.445 175.311 174.900 -0.056 0.000 1.240 992 G CA -0.459 44.650 45.100 0.015 0.000 0.842 992 G HN 0.957 nan 8.290 nan 0.000 0.584 993 I N -0.862 119.639 120.570 -0.115 0.000 3.645 993 I HA 0.391 4.561 4.170 -0.000 0.000 0.300 993 I C 1.494 177.519 176.117 -0.154 0.000 1.260 993 I CA 0.326 61.523 61.300 -0.172 0.000 1.365 993 I CB -0.560 37.255 38.000 -0.309 0.000 1.077 993 I HN 0.884 nan 8.210 nan 0.000 0.439 994 G N 2.013 110.731 108.800 -0.138 0.000 2.564 994 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.273 994 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.273 994 G C 0.706 175.563 174.900 -0.071 0.000 1.242 994 G CA 0.426 45.477 45.100 -0.082 0.000 0.951 994 G HN 1.653 nan 8.290 nan 0.000 0.564 995 G N -2.186 106.586 108.800 -0.047 0.000 2.327 995 G HA2 0.078 4.038 3.960 -0.000 0.000 0.159 995 G HA3 0.078 4.038 3.960 -0.000 0.000 0.159 995 G C 0.272 175.186 174.900 0.023 0.000 1.056 995 G CA 0.975 46.047 45.100 -0.047 0.000 0.751 995 G HN 1.018 nan 8.290 nan 0.000 0.488 996 D N 0.511 120.930 120.400 0.031 0.000 2.355 996 D HA 0.293 4.933 4.640 -0.000 0.000 0.218 996 D C 0.926 177.225 176.300 -0.001 0.000 1.004 996 D CA 1.582 55.666 54.000 0.139 0.000 0.880 996 D CB 0.353 41.242 40.800 0.149 0.000 0.911 996 D HN 0.885 nan 8.370 nan 0.000 0.528 997 D N -3.435 116.804 120.400 -0.268 0.000 2.807 997 D HA 0.155 4.795 4.640 -0.000 0.000 0.279 997 D C -1.040 174.871 176.300 -0.649 0.000 1.247 997 D CA -0.657 52.825 54.000 -0.864 0.000 0.749 997 D CB 0.391 40.377 40.800 -1.357 0.000 1.264 997 D HN -0.292 nan 8.370 nan 0.000 0.421 998 S N 0.002 115.210 115.700 -0.820 0.000 2.751 998 S HA 0.321 4.791 4.470 -0.000 0.000 0.247 998 S C -0.733 173.985 174.600 0.196 0.000 1.103 998 S CA -0.522 57.659 58.200 -0.032 0.000 1.090 998 S CB -0.487 62.981 63.200 0.447 0.000 0.928 998 S HN 0.567 nan 8.310 nan 0.000 0.502 999 W N 0.550 121.883 121.300 0.055 0.000 1.479 999 W HA 0.519 5.179 4.660 -0.000 0.000 0.224 999 W C -0.075 176.446 176.519 0.002 0.000 0.799 999 W CA -0.451 56.912 57.345 0.031 0.000 1.149 999 W CB -0.654 28.759 29.460 -0.078 0.000 0.935 999 W HN 0.184 nan 8.180 nan 0.000 0.454 1000 S N -1.138 114.453 115.700 -0.182 0.000 2.625 1000 S HA 0.651 5.121 4.470 -0.000 0.000 0.271 1000 S C -3.136 171.408 174.600 -0.093 0.000 1.161 1000 S CA -1.596 56.539 58.200 -0.108 0.000 0.820 1000 S CB 1.707 64.852 63.200 -0.091 0.000 1.137 1000 S HN -0.206 nan 8.310 nan 0.000 0.470 1001 P HA 0.260 nan 4.420 nan 0.000 0.268 1001 P C 0.261 177.596 177.300 0.059 0.000 1.282 1001 P CA -0.078 63.036 63.100 0.024 0.000 0.880 1001 P CB 0.207 31.822 31.700 -0.141 0.000 0.971 1002 S N 0.626 116.369 115.700 0.072 0.000 2.548 1002 S HA 0.057 4.527 4.470 -0.000 0.000 0.215 1002 S C 0.808 175.458 174.600 0.084 0.000 0.976 1002 S CA -0.183 58.039 58.200 0.037 0.000 0.908 1002 S CB 0.003 63.191 63.200 -0.020 0.000 0.781 1002 S HN 0.175 nan 8.310 nan 0.000 0.519 1003 V N 4.267 124.277 119.914 0.161 0.000 2.455 1003 V HA 0.283 4.403 4.120 -0.000 0.000 0.273 1003 V C 0.777 176.992 176.094 0.202 0.000 1.045 1003 V CA -0.651 61.731 62.300 0.137 0.000 0.976 1003 V CB 0.599 32.456 31.823 0.056 0.000 0.993 1003 V HN 0.542 nan 8.190 nan 0.000 0.475 1004 S N 4.538 120.368 115.700 0.217 0.000 2.593 1004 S HA 0.482 4.952 4.470 -0.000 0.000 0.269 1004 S C 1.406 176.163 174.600 0.262 0.000 1.334 1004 S CA -0.060 58.282 58.200 0.236 0.000 1.015 1004 S CB 1.455 64.779 63.200 0.207 0.000 0.912 1004 S HN 1.039 nan 8.310 nan 0.000 0.541 1005 A N 1.964 124.889 122.820 0.175 0.000 1.859 1005 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 1005 A C 1.930 179.567 177.584 0.089 0.000 1.209 1005 A CA 2.286 54.410 52.037 0.145 0.000 0.639 1005 A CB -1.769 17.290 19.000 0.098 0.000 0.835 1005 A HN 1.002 nan 8.150 nan 0.000 0.450 1006 E N -0.693 119.491 120.200 -0.028 0.000 2.301 1006 E HA -0.218 4.132 4.350 -0.000 0.000 0.202 1006 E C 0.746 177.096 176.600 -0.417 0.000 1.017 1006 E CA 1.584 57.822 56.400 -0.272 0.000 0.831 1006 E CB -0.521 28.862 29.700 -0.529 0.000 0.742 1006 E HN 0.731 nan 8.360 nan 0.000 0.491 1007 F N 0.544 120.539 119.950 0.076 0.000 2.750 1007 F HA 0.273 4.800 4.527 -0.000 0.000 0.297 1007 F C 0.246 176.084 175.800 0.063 0.000 1.138 1007 F CA -0.309 57.733 58.000 0.069 0.000 1.346 1007 F CB 0.261 39.297 39.000 0.060 0.000 0.965 1007 F HN -0.180 nan 8.300 nan 0.000 0.514 1008 Q N 0.997 120.917 119.800 0.200 0.000 2.316 1008 Q HA 0.445 4.785 4.340 -0.000 0.000 0.264 1008 Q C -0.349 175.731 176.000 0.134 0.000 0.987 1008 Q CA -0.640 55.293 55.803 0.216 0.000 0.852 1008 Q CB 2.126 31.097 28.738 0.387 0.000 1.287 1008 Q HN 0.264 nan 8.270 nan 0.000 0.448 1009 L N 2.696 123.967 121.223 0.079 0.000 2.574 1009 L HA 0.027 4.367 4.340 -0.000 0.000 0.281 1009 L C 0.649 177.434 176.870 -0.141 0.000 1.212 1009 L CA 0.144 54.970 54.840 -0.023 0.000 1.082 1009 L CB -0.507 41.415 42.059 -0.229 0.000 1.362 1009 L HN 0.710 nan 8.230 nan 0.000 0.451 1010 S N -0.463 115.148 115.700 -0.148 0.000 2.603 1010 S HA 0.163 4.633 4.470 -0.000 0.000 0.232 1010 S C 1.719 176.208 174.600 -0.184 0.000 1.016 1010 S CA 0.149 58.070 58.200 -0.465 0.000 0.976 1010 S CB 0.761 63.792 63.200 -0.282 0.000 0.921 1010 S HN 0.555 nan 8.310 nan 0.000 0.516 1011 A N 2.021 124.789 122.820 -0.086 0.000 1.986 1011 A HA 0.341 4.661 4.320 -0.000 0.000 0.220 1011 A C 2.206 179.627 177.584 -0.272 0.000 1.171 1011 A CA 1.904 53.759 52.037 -0.304 0.000 0.640 1011 A CB -1.363 17.173 19.000 -0.773 0.000 0.811 1011 A HN 1.562 nan 8.150 nan 0.000 0.451 1012 G N -1.966 106.756 108.800 -0.130 0.000 2.420 1012 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.221 1012 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.221 1012 G C 0.402 175.257 174.900 -0.076 0.000 1.117 1012 G CA 0.302 45.364 45.100 -0.064 0.000 0.657 1012 G HN 0.730 nan 8.290 nan 0.000 0.512 1013 R N -0.416 119.906 120.500 -0.298 0.000 2.515 1013 R HA 0.622 4.962 4.340 -0.000 0.000 0.291 1013 R C -1.648 174.381 176.300 -0.453 0.000 1.046 1013 R CA -0.571 55.411 56.100 -0.197 0.000 0.914 1013 R CB 1.525 31.757 30.300 -0.113 0.000 1.191 1013 R HN 0.234 nan 8.270 nan 0.000 0.435 1014 Y N 0.384 120.691 120.300 0.011 0.000 2.499 1014 Y HA 0.400 4.949 4.550 -0.000 0.000 0.347 1014 Y C -0.258 175.839 175.900 0.329 0.000 0.987 1014 Y CA -0.884 57.234 58.100 0.031 0.000 1.044 1014 Y CB 2.176 40.545 38.460 -0.151 0.000 1.245 1014 Y HN 0.573 nan 8.280 nan 0.000 0.461 1015 H N 2.421 121.808 119.070 0.529 0.000 2.934 1015 H HA 0.501 5.057 4.556 -0.000 0.000 0.340 1015 H C -1.899 173.800 175.328 0.618 0.000 1.008 1015 H CA -0.903 55.424 56.048 0.464 0.000 1.317 1015 H CB 0.788 30.701 29.762 0.253 0.000 1.670 1015 H HN 0.529 nan 8.280 nan 0.000 0.516 1016 Y N 1.814 121.969 120.300 -0.242 0.000 2.570 1016 Y HA 0.636 5.186 4.550 -0.000 0.000 0.345 1016 Y C -1.238 174.448 175.900 -0.356 0.000 1.014 1016 Y CA -1.475 56.472 58.100 -0.254 0.000 1.063 1016 Y CB 1.551 39.924 38.460 -0.145 0.000 1.272 1016 Y HN 0.623 nan 8.280 nan 0.000 0.477 1017 Q N 2.279 122.019 119.800 -0.100 0.000 2.339 1017 Q HA 0.558 4.898 4.340 -0.000 0.000 0.268 1017 Q C -1.530 174.495 176.000 0.041 0.000 1.027 1017 Q CA -0.372 55.384 55.803 -0.079 0.000 0.759 1017 Q CB 1.827 30.587 28.738 0.037 0.000 1.244 1017 Q HN 0.797 nan 8.270 nan 0.000 0.464 1018 L N 2.655 123.871 121.223 -0.011 0.000 2.334 1018 L HA 0.728 5.068 4.340 -0.000 0.000 0.272 1018 L C -0.933 176.011 176.870 0.124 0.000 1.020 1018 L CA -1.045 53.836 54.840 0.068 0.000 0.812 1018 L CB 1.927 44.009 42.059 0.037 0.000 1.264 1018 L HN 0.357 nan 8.230 nan 0.000 0.439 1019 V N 2.108 122.137 119.914 0.192 0.000 2.559 1019 V HA 0.237 4.357 4.120 -0.000 0.000 0.289 1019 V C -1.074 175.181 176.094 0.269 0.000 1.036 1019 V CA -0.567 61.858 62.300 0.209 0.000 0.887 1019 V CB 1.963 33.887 31.823 0.169 0.000 1.022 1019 V HN 0.604 nan 8.190 nan 0.000 0.442 1020 W N 6.560 127.876 121.300 0.028 0.000 2.438 1020 W HA 0.781 5.441 4.660 -0.000 0.000 0.324 1020 W C -0.195 176.271 176.519 -0.087 0.000 1.119 1020 W CA -1.009 56.249 57.345 -0.144 0.000 1.221 1020 W CB 1.583 30.978 29.460 -0.108 0.000 1.253 1020 W HN 0.827 nan 8.180 nan 0.000 0.555 1021 C N 4.877 124.449 119.300 0.452 0.000 3.303 1021 C HA 0.648 5.108 4.460 -0.000 0.000 0.340 1021 C C -0.561 174.531 174.990 0.169 0.000 1.274 1021 C CA -0.566 58.592 59.018 0.232 0.000 1.234 1021 C CB 1.068 28.897 27.740 0.148 0.000 1.532 1021 C HN 0.714 nan 8.230 nan 0.000 0.483 1022 Q N 1.466 121.314 119.800 0.080 0.000 2.926 1022 Q HA 0.890 5.230 4.340 -0.000 0.000 0.186 1022 Q C -0.493 175.491 176.000 -0.027 0.000 1.066 1022 Q CA -0.317 55.472 55.803 -0.024 0.000 0.821 1022 Q CB 0.639 29.307 28.738 -0.117 0.000 2.959 1022 Q HN 0.809 nan 8.270 nan 0.000 0.406 1023 K N 0.000 120.357 120.400 -0.071 0.000 2.780 1023 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1023 K CA 0.000 56.258 56.287 -0.049 0.000 0.838 1023 K CB 0.000 32.478 32.500 -0.037 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543