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_A 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 0.000 176.138 176.117 0.036 0.000 1.063 3 I CA 0.000 61.324 61.300 0.040 0.000 1.566 3 I CB 0.000 38.012 38.000 0.020 0.000 1.214 4 T N -1.750 112.826 114.554 0.036 0.000 3.035 4 T HA 0.035 4.385 4.350 -0.000 0.000 0.268 4 T C 1.056 175.769 174.700 0.022 0.000 1.109 4 T CA 1.396 63.498 62.100 0.004 0.000 1.119 4 T CB -0.526 68.337 68.868 -0.009 0.000 0.900 4 T HN 0.325 nan 8.240 nan 0.000 0.503 5 D N 2.283 122.760 120.400 0.129 0.000 2.363 5 D HA 0.042 4.682 4.640 -0.000 0.000 0.220 5 D C 1.028 177.563 176.300 0.392 0.000 0.994 5 D CA 0.296 54.473 54.000 0.296 0.000 0.890 5 D CB -0.249 40.765 40.800 0.357 0.000 0.906 5 D HN 0.581 nan 8.370 nan 0.000 0.530 6 S N 0.692 116.502 115.700 0.183 0.000 2.515 6 S HA 0.000 4.470 4.470 -0.000 0.000 0.285 6 S C 1.485 176.172 174.600 0.145 0.000 1.265 6 S CA -0.652 57.623 58.200 0.126 0.000 1.079 6 S CB 0.757 63.988 63.200 0.052 0.000 0.877 6 S HN -0.072 nan 8.310 nan 0.000 0.493 7 L N 4.837 126.141 121.223 0.136 0.000 2.026 7 L HA -0.263 4.077 4.340 -0.000 0.000 0.231 7 L C 2.972 179.890 176.870 0.080 0.000 1.095 7 L CA 2.827 57.746 54.840 0.132 0.000 0.810 7 L CB -1.666 40.397 42.059 0.006 0.000 0.909 7 L HN 0.993 nan 8.230 nan 0.000 0.444 8 A N -1.261 121.581 122.820 0.038 0.000 1.909 8 A HA -0.290 4.030 4.320 -0.000 0.000 0.221 8 A C 2.291 179.878 177.584 0.005 0.000 1.223 8 A CA 3.036 55.086 52.037 0.021 0.000 0.658 8 A CB -1.277 17.728 19.000 0.009 0.000 0.831 8 A HN 0.303 nan 8.150 nan 0.000 0.462 9 V N -0.900 119.009 119.914 -0.009 0.000 2.273 9 V HA -0.182 3.938 4.120 -0.000 0.000 0.242 9 V C 2.513 178.539 176.094 -0.114 0.000 1.035 9 V CA 1.641 63.907 62.300 -0.057 0.000 1.013 9 V CB -0.971 30.812 31.823 -0.065 0.000 0.652 9 V HN 0.361 nan 8.190 nan 0.000 0.452 10 V N 0.567 120.396 119.914 -0.140 0.000 2.370 10 V HA -0.293 3.827 4.120 -0.000 0.000 0.252 10 V C 2.270 178.228 176.094 -0.226 0.000 1.068 10 V CA 2.064 64.166 62.300 -0.330 0.000 1.061 10 V CB -0.667 30.893 31.823 -0.439 0.000 0.656 10 V HN 0.465 nan 8.190 nan 0.000 0.455 11 L N -0.940 120.275 121.223 -0.013 0.000 2.179 11 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 11 L C 2.522 179.415 176.870 0.037 0.000 1.096 11 L CA 1.101 56.035 54.840 0.157 0.000 0.779 11 L CB -0.823 41.414 42.059 0.297 0.000 0.922 11 L HN 0.332 nan 8.230 nan 0.000 0.443 12 Q N 1.999 121.782 119.800 -0.028 0.000 2.142 12 Q HA -0.262 4.078 4.340 -0.000 0.000 0.213 12 Q C 2.161 178.083 176.000 -0.130 0.000 1.004 12 Q CA 2.297 58.061 55.803 -0.065 0.000 0.883 12 Q CB -0.229 28.463 28.738 -0.076 0.000 0.939 12 Q HN 0.530 nan 8.270 nan 0.000 0.413 13 R N -0.411 119.981 120.500 -0.180 0.000 2.280 13 R HA 0.097 4.437 4.340 -0.000 0.000 0.207 13 R C 0.308 176.403 176.300 -0.342 0.000 1.043 13 R CA 0.611 56.576 56.100 -0.225 0.000 1.006 13 R CB -0.317 29.850 30.300 -0.223 0.000 0.885 13 R HN 0.119 nan 8.270 nan 0.000 0.467 14 R N 1.266 121.461 120.500 -0.509 0.000 3.251 14 R HA -0.160 4.180 4.340 -0.000 0.000 0.249 14 R C -0.258 175.488 176.300 -0.923 0.000 0.949 14 R CA 0.431 55.860 56.100 -1.118 0.000 0.645 14 R CB -1.127 28.720 30.300 -0.755 0.000 1.065 14 R HN 0.394 nan 8.270 nan 0.000 0.452 15 D N -0.379 119.659 120.400 -0.602 0.000 2.190 15 D HA -0.208 4.432 4.640 -0.000 0.000 0.200 15 D C 1.527 177.736 176.300 -0.151 0.000 0.992 15 D CA 1.856 55.615 54.000 -0.402 0.000 0.854 15 D CB -0.154 40.247 40.800 -0.666 0.000 0.936 15 D HN 0.736 nan 8.370 nan 0.000 0.462 16 W N 1.444 122.828 121.300 0.140 0.000 2.961 16 W HA 0.116 4.776 4.660 -0.000 0.000 0.240 16 W C 0.346 176.995 176.519 0.217 0.000 1.305 16 W CA -0.123 57.379 57.345 0.262 0.000 1.465 16 W CB -0.391 29.254 29.460 0.308 0.000 1.135 16 W HN -0.144 nan 8.180 nan 0.000 0.688 17 E N 1.119 121.222 120.200 -0.163 0.000 3.385 17 E HA 0.067 4.417 4.350 -0.000 0.000 0.206 17 E C -0.704 175.813 176.600 -0.138 0.000 0.997 17 E CA -0.247 56.130 56.400 -0.037 0.000 1.278 17 E CB -0.221 29.505 29.700 0.043 0.000 1.165 17 E HN 0.049 nan 8.360 nan 0.000 0.452 18 N N 1.305 119.936 118.700 -0.115 0.000 2.629 18 N HA 0.134 4.874 4.740 -0.000 0.000 0.277 18 N C -2.320 173.069 175.510 -0.201 0.000 1.188 18 N CA -1.995 50.941 53.050 -0.189 0.000 0.835 18 N CB 1.498 39.878 38.487 -0.179 0.000 1.420 18 N HN -0.181 nan 8.380 nan 0.000 0.542 19 P HA 0.034 nan 4.420 nan 0.000 0.225 19 P C 1.205 178.283 177.300 -0.370 0.000 1.148 19 P CA 0.742 63.517 63.100 -0.543 0.000 0.779 19 P CB 0.207 31.093 31.700 -1.357 0.000 0.780 20 G N 0.158 108.777 108.800 -0.301 0.000 2.402 20 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.216 20 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.216 20 G C 0.438 175.264 174.900 -0.123 0.000 1.162 20 G CA 0.298 45.274 45.100 -0.207 0.000 0.777 20 G HN 0.220 nan 8.290 nan 0.000 0.539 21 V N 1.688 121.548 119.914 -0.091 0.000 2.348 21 V HA 0.381 4.501 4.120 -0.000 0.000 0.270 21 V C 1.081 177.229 176.094 0.090 0.000 1.037 21 V CA 0.469 62.763 62.300 -0.011 0.000 0.872 21 V CB 0.981 32.776 31.823 -0.045 0.000 1.002 21 V HN 0.402 nan 8.190 nan 0.000 0.464 22 T N 0.924 115.535 114.554 0.095 0.000 3.003 22 T HA 0.325 4.675 4.350 -0.000 0.000 0.261 22 T C 0.311 175.083 174.700 0.120 0.000 1.003 22 T CA 0.226 62.394 62.100 0.114 0.000 0.917 22 T CB 0.430 69.318 68.868 0.034 0.000 1.084 22 T HN 0.673 nan 8.240 nan 0.000 0.522 23 Q N 0.160 120.062 119.800 0.171 0.000 2.814 23 Q HA 0.768 5.108 4.340 -0.000 0.000 0.322 23 Q C -2.268 173.896 176.000 0.274 0.000 0.861 23 Q CA -1.109 54.795 55.803 0.169 0.000 0.773 23 Q CB 0.829 29.579 28.738 0.020 0.000 1.423 23 Q HN 0.074 nan 8.270 nan 0.000 0.495 24 L N 2.077 123.464 121.223 0.273 0.000 2.845 24 L HA 0.434 4.774 4.340 -0.000 0.000 0.253 24 L C -1.215 175.828 176.870 0.289 0.000 0.959 24 L CA 0.153 55.180 54.840 0.312 0.000 1.001 24 L CB 0.995 43.349 42.059 0.491 0.000 1.374 24 L HN 0.857 nan 8.230 nan 0.000 0.469 25 N N 0.986 119.810 118.700 0.208 0.000 2.901 25 N HA -0.198 4.542 4.740 -0.000 0.000 0.248 25 N C 0.517 176.107 175.510 0.133 0.000 1.044 25 N CA 0.782 53.952 53.050 0.200 0.000 0.847 25 N CB -0.546 38.065 38.487 0.206 0.000 1.127 25 N HN 0.652 nan 8.380 nan 0.000 0.562 26 R N 1.676 122.145 120.500 -0.051 0.000 2.347 26 R HA 0.324 4.664 4.340 -0.000 0.000 0.304 26 R C 0.681 176.834 176.300 -0.246 0.000 1.072 26 R CA -0.275 55.570 56.100 -0.425 0.000 0.980 26 R CB 0.451 30.530 30.300 -0.368 0.000 0.986 26 R HN 0.117 nan 8.270 nan 0.000 0.448 27 L N 3.328 124.390 121.223 -0.268 0.000 2.473 27 L HA 0.175 4.515 4.340 -0.000 0.000 0.268 27 L C 0.752 177.590 176.870 -0.053 0.000 1.215 27 L CA -0.308 54.474 54.840 -0.096 0.000 0.823 27 L CB 0.475 42.511 42.059 -0.040 0.000 1.099 27 L HN 0.769 nan 8.230 nan 0.000 0.483 28 A N 1.765 124.588 122.820 0.005 0.000 2.407 28 A HA 0.541 4.861 4.320 -0.000 0.000 0.248 28 A C 0.347 177.997 177.584 0.110 0.000 1.082 28 A CA -0.161 51.894 52.037 0.030 0.000 0.785 28 A CB 0.451 19.474 19.000 0.038 0.000 1.020 28 A HN 0.822 nan 8.150 nan 0.000 0.489 29 A N 1.510 124.361 122.820 0.052 0.000 2.425 29 A HA 0.596 4.916 4.320 -0.000 0.000 0.242 29 A C 0.208 177.837 177.584 0.075 0.000 1.077 29 A CA 0.790 52.830 52.037 0.004 0.000 0.781 29 A CB -0.267 18.688 19.000 -0.074 0.000 1.020 29 A HN 1.857 nan 8.150 nan 0.000 0.494 30 H N -1.812 117.145 119.070 -0.189 0.000 2.917 30 H HA 0.633 5.189 4.556 -0.000 0.000 0.299 30 H C -3.355 171.709 175.328 -0.440 0.000 1.418 30 H CA -1.769 54.104 56.048 -0.292 0.000 1.138 30 H CB 0.256 29.807 29.762 -0.352 0.000 1.830 30 H HN 0.389 nan 8.280 nan 0.000 0.514 31 P HA 0.188 nan 4.420 nan 0.000 0.274 31 P C -2.580 174.344 177.300 -0.626 0.000 1.246 31 P CA -1.476 61.299 63.100 -0.543 0.000 0.795 31 P CB -0.313 31.038 31.700 -0.582 0.000 1.006 32 P HA 0.002 nan 4.420 nan 0.000 0.260 32 P C -0.897 176.444 177.300 0.067 0.000 1.172 32 P CA 0.935 63.939 63.100 -0.160 0.000 0.760 32 P CB -0.206 31.490 31.700 -0.008 0.000 0.773 33 F N 1.918 121.980 119.950 0.186 0.000 2.480 33 F HA 0.542 5.069 4.527 -0.000 0.000 0.329 33 F C 1.080 176.848 175.800 -0.053 0.000 1.091 33 F CA -1.343 56.736 58.000 0.132 0.000 0.972 33 F CB 1.535 40.619 39.000 0.140 0.000 1.150 33 F HN 0.365 nan 8.300 nan 0.000 0.467 34 A N 1.029 123.839 122.820 -0.017 0.000 2.390 34 A HA 0.308 4.628 4.320 -0.000 0.000 0.225 34 A C 0.916 178.186 177.584 -0.523 0.000 1.232 34 A CA 0.660 52.421 52.037 -0.460 0.000 0.964 34 A CB -0.256 17.979 19.000 -1.274 0.000 1.064 34 A HN 0.864 nan 8.150 nan 0.000 0.525 35 S N 0.041 115.547 115.700 -0.323 0.000 3.631 35 S HA -0.145 4.325 4.470 -0.000 0.000 0.366 35 S C 0.163 174.637 174.600 -0.210 0.000 0.993 35 S CA 0.389 58.441 58.200 -0.247 0.000 1.167 35 S CB -1.767 61.288 63.200 -0.241 0.000 0.909 35 S HN 0.472 nan 8.310 nan 0.000 0.478 36 W N 1.032 122.322 121.300 -0.017 0.000 2.186 36 W HA 0.134 4.794 4.660 -0.000 0.000 0.355 36 W C 1.591 178.095 176.519 -0.026 0.000 1.293 36 W CA -0.101 57.239 57.345 -0.008 0.000 1.316 36 W CB 0.094 29.547 29.460 -0.012 0.000 1.212 36 W HN 0.374 nan 8.180 nan 0.000 0.610 37 R N 0.823 121.465 120.500 0.236 0.000 2.590 37 R HA 0.076 4.416 4.340 -0.000 0.000 0.410 37 R C -0.583 175.791 176.300 0.123 0.000 1.010 37 R CA -0.261 55.916 56.100 0.128 0.000 1.155 37 R CB 0.143 30.493 30.300 0.083 0.000 1.455 37 R HN 0.404 nan 8.270 nan 0.000 0.567 38 N N 0.068 118.866 118.700 0.164 0.000 2.519 38 N HA -0.026 4.714 4.740 -0.000 0.000 0.291 38 N C 0.874 176.386 175.510 0.004 0.000 1.107 38 N CA -0.033 53.063 53.050 0.076 0.000 0.904 38 N CB 1.637 40.164 38.487 0.067 0.000 1.500 38 N HN -0.075 nan 8.380 nan 0.000 0.510 39 S N 2.571 118.247 115.700 -0.039 0.000 2.372 39 S HA -0.280 4.190 4.470 -0.000 0.000 0.227 39 S C 1.394 175.866 174.600 -0.213 0.000 1.044 39 S CA 1.634 59.770 58.200 -0.107 0.000 1.050 39 S CB -0.445 62.715 63.200 -0.067 0.000 0.901 39 S HN 0.757 nan 8.310 nan 0.000 0.447 40 E N 1.043 121.138 120.200 -0.176 0.000 2.038 40 E HA -0.167 4.183 4.350 -0.000 0.000 0.195 40 E C 2.254 178.678 176.600 -0.293 0.000 1.000 40 E CA 1.504 57.763 56.400 -0.236 0.000 0.803 40 E CB -0.213 29.383 29.700 -0.173 0.000 0.750 40 E HN 0.735 nan 8.360 nan 0.000 0.448 41 E N -0.388 119.683 120.200 -0.215 0.000 2.331 41 E HA -0.209 4.141 4.350 -0.000 0.000 0.199 41 E C 1.708 177.800 176.600 -0.847 0.000 1.008 41 E CA 0.664 56.921 56.400 -0.238 0.000 0.843 41 E CB -0.022 29.733 29.700 0.091 0.000 0.761 41 E HN 0.264 nan 8.360 nan 0.000 0.507 42 A N 1.005 123.154 122.820 -1.118 0.000 1.984 42 A HA -0.045 4.275 4.320 -0.000 0.000 0.214 42 A C 2.035 178.993 177.584 -1.043 0.000 1.173 42 A CA 0.551 51.434 52.037 -1.923 0.000 0.673 42 A CB -0.122 18.201 19.000 -1.129 0.000 0.830 42 A HN 0.031 nan 8.150 nan 0.000 0.453 43 R N 0.197 120.309 120.500 -0.647 0.000 2.092 43 R HA -0.104 4.236 4.340 -0.000 0.000 0.231 43 R C 1.680 177.744 176.300 -0.393 0.000 1.119 43 R CA 1.896 57.697 56.100 -0.498 0.000 0.970 43 R CB -0.257 29.674 30.300 -0.615 0.000 0.864 43 R HN 0.574 nan 8.270 nan 0.000 0.440 44 T N -2.738 111.599 114.554 -0.361 0.000 3.163 44 T HA 0.070 4.420 4.350 -0.000 0.000 0.252 44 T C 0.190 174.807 174.700 -0.138 0.000 1.056 44 T CA 0.334 62.303 62.100 -0.219 0.000 0.947 44 T CB 0.154 68.915 68.868 -0.178 0.000 1.016 44 T HN 0.302 nan 8.240 nan 0.000 0.554 45 D N 1.203 121.484 120.400 -0.199 0.000 2.811 45 D HA -0.179 4.461 4.640 -0.000 0.000 0.231 45 D C 0.226 176.633 176.300 0.177 0.000 1.157 45 D CA 0.504 54.520 54.000 0.027 0.000 0.716 45 D CB -0.965 39.884 40.800 0.082 0.000 1.077 45 D HN 0.626 nan 8.370 nan 0.000 0.428 46 R N -0.130 120.458 120.500 0.148 0.000 2.822 46 R HA 0.420 4.760 4.340 -0.000 0.000 0.277 46 R C -2.103 174.428 176.300 0.385 0.000 1.102 46 R CA -1.002 55.227 56.100 0.215 0.000 1.207 46 R CB -0.147 30.240 30.300 0.145 0.000 1.139 46 R HN 0.130 nan 8.270 nan 0.000 0.557 47 P HA 0.035 nan 4.420 nan 0.000 0.281 47 P C -0.701 176.714 177.300 0.191 0.000 1.252 47 P CA -0.166 63.058 63.100 0.207 0.000 0.778 47 P CB 1.233 33.011 31.700 0.130 0.000 0.895 48 S N 2.307 118.016 115.700 0.015 0.000 2.525 48 S HA 0.131 4.601 4.470 -0.000 0.000 0.278 48 S C 0.940 175.530 174.600 -0.016 0.000 1.234 48 S CA -0.484 57.637 58.200 -0.133 0.000 1.058 48 S CB 0.714 63.505 63.200 -0.683 0.000 0.983 48 S HN 0.396 nan 8.310 nan 0.000 0.495 49 Q N 1.681 121.515 119.800 0.056 0.000 2.515 49 Q HA -0.020 4.320 4.340 -0.000 0.000 0.212 49 Q C 0.772 176.907 176.000 0.224 0.000 0.970 49 Q CA 0.595 56.475 55.803 0.128 0.000 0.941 49 Q CB -0.281 28.539 28.738 0.137 0.000 0.998 49 Q HN 0.680 nan 8.270 nan 0.000 0.518 50 Q N -0.089 119.778 119.800 0.110 0.000 2.392 50 Q HA 0.138 4.478 4.340 -0.000 0.000 0.203 50 Q C -0.506 175.573 176.000 0.131 0.000 0.917 50 Q CA 0.258 56.123 55.803 0.104 0.000 0.939 50 Q CB 0.592 29.268 28.738 -0.102 0.000 1.063 50 Q HN 0.131 nan 8.270 nan 0.000 0.516 51 L N 0.827 122.111 121.223 0.102 0.000 2.296 51 L HA 0.453 4.793 4.340 -0.000 0.000 0.286 51 L C -0.972 175.990 176.870 0.152 0.000 1.023 51 L CA -0.216 54.679 54.840 0.091 0.000 0.812 51 L CB 1.139 43.185 42.059 -0.022 0.000 1.223 51 L HN -0.088 nan 8.230 nan 0.000 0.421 52 R N 2.532 123.139 120.500 0.178 0.000 2.532 52 R HA 0.375 4.715 4.340 -0.000 0.000 0.297 52 R C -0.963 175.368 176.300 0.052 0.000 0.984 52 R CA -0.495 55.676 56.100 0.118 0.000 0.884 52 R CB 2.141 32.518 30.300 0.127 0.000 1.182 52 R HN 0.681 nan 8.270 nan 0.000 0.442 53 S N 3.354 119.075 115.700 0.034 0.000 2.523 53 S HA 0.257 4.727 4.470 -0.000 0.000 0.275 53 S C 0.857 175.474 174.600 0.029 0.000 1.281 53 S CA -0.442 57.772 58.200 0.024 0.000 1.050 53 S CB 0.475 63.695 63.200 0.033 0.000 0.937 53 S HN 0.564 nan 8.310 nan 0.000 0.492 54 L N 4.031 125.278 121.223 0.040 0.000 2.818 54 L HA 0.284 4.624 4.340 -0.000 0.000 0.243 54 L C -0.055 177.018 176.870 0.338 0.000 1.185 54 L CA -0.149 54.753 54.840 0.103 0.000 0.988 54 L CB -0.270 41.812 42.059 0.038 0.000 1.292 54 L HN 0.533 nan 8.230 nan 0.000 0.519 55 N N 1.173 119.979 118.700 0.176 0.000 2.442 55 N HA 0.468 5.208 4.740 -0.000 0.000 0.265 55 N C 0.471 176.100 175.510 0.199 0.000 1.138 55 N CA 0.590 53.723 53.050 0.139 0.000 0.956 55 N CB 1.429 39.936 38.487 0.033 0.000 1.067 55 N HN 0.364 nan 8.380 nan 0.000 0.474 56 G N 1.436 110.392 108.800 0.261 0.000 2.513 56 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.182 56 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.182 56 G C -1.393 173.729 174.900 0.371 0.000 1.190 56 G CA -0.737 44.515 45.100 0.252 0.000 0.987 56 G HN 0.419 nan 8.290 nan 0.000 0.479 57 E N 0.013 120.404 120.200 0.317 0.000 2.290 57 E HA 0.439 4.789 4.350 -0.000 0.000 0.277 57 E C -1.139 175.738 176.600 0.462 0.000 1.035 57 E CA 0.035 56.627 56.400 0.320 0.000 0.873 57 E CB 0.933 30.738 29.700 0.175 0.000 1.029 57 E HN 0.332 nan 8.360 nan 0.000 0.419 58 W N 1.662 123.042 121.300 0.134 0.000 2.992 58 W HA 0.388 5.048 4.660 -0.000 0.000 0.342 58 W C -0.115 176.521 176.519 0.195 0.000 1.176 58 W CA -0.764 56.690 57.345 0.183 0.000 1.118 58 W CB 0.859 30.474 29.460 0.258 0.000 1.457 58 W HN 0.234 nan 8.180 nan 0.000 0.573 59 R N 1.438 122.186 120.500 0.414 0.000 2.540 59 R HA 0.687 5.027 4.340 -0.000 0.000 0.287 59 R C -1.419 175.085 176.300 0.340 0.000 0.980 59 R CA -0.815 55.469 56.100 0.307 0.000 0.966 59 R CB 1.805 32.230 30.300 0.209 0.000 1.106 59 R HN 0.448 nan 8.270 nan 0.000 0.480 60 F N 0.215 120.169 119.950 0.007 0.000 2.599 60 F HA 0.670 5.197 4.527 -0.000 0.000 0.311 60 F C -1.515 174.125 175.800 -0.268 0.000 1.076 60 F CA -0.630 57.222 58.000 -0.246 0.000 0.937 60 F CB 2.187 40.955 39.000 -0.387 0.000 1.282 60 F HN 0.671 nan 8.300 nan 0.000 0.460 61 A N 3.410 125.385 122.820 -1.408 0.000 2.574 61 A HA 0.579 4.899 4.320 -0.000 0.000 0.297 61 A C -2.532 174.233 177.584 -1.365 0.000 1.062 61 A CA -0.526 50.929 52.037 -0.970 0.000 0.686 61 A CB 0.744 19.495 19.000 -0.415 0.000 1.285 61 A HN 0.961 nan 8.150 nan 0.000 0.403 62 W N 2.148 122.766 121.300 -1.138 0.000 2.666 62 W HA 0.779 5.439 4.660 -0.000 0.000 0.334 62 W C -1.997 173.956 176.519 -0.943 0.000 1.051 62 W CA -0.545 56.230 57.345 -0.950 0.000 1.224 62 W CB 1.376 30.464 29.460 -0.619 0.000 1.405 62 W HN 0.509 nan 8.180 nan 0.000 0.513 63 F N 5.866 125.127 119.950 -1.148 0.000 2.563 63 F HA 0.398 4.925 4.527 -0.000 0.000 0.316 63 F C -1.416 173.490 175.800 -1.491 0.000 1.076 63 F CA -2.522 54.918 58.000 -0.933 0.000 0.921 63 F CB 1.597 40.228 39.000 -0.616 0.000 1.209 63 F HN 0.178 nan 8.300 nan 0.000 0.462 64 P HA 0.114 nan 4.420 nan 0.000 0.225 64 P C -0.426 176.774 177.300 -0.166 0.000 1.156 64 P CA 0.844 63.759 63.100 -0.307 0.000 0.787 64 P CB 0.615 32.376 31.700 0.102 0.000 0.802 65 A N -1.214 121.516 122.820 -0.149 0.000 2.582 65 A HA 0.507 4.827 4.320 -0.000 0.000 0.297 65 A C -2.402 175.102 177.584 -0.134 0.000 1.059 65 A CA -1.091 50.892 52.037 -0.090 0.000 0.705 65 A CB 0.452 19.459 19.000 0.012 0.000 1.279 65 A HN -0.290 nan 8.150 nan 0.000 0.404 66 P HA -0.270 nan 4.420 nan 0.000 0.217 66 P C 0.967 178.181 177.300 -0.145 0.000 1.158 66 P CA 2.083 65.056 63.100 -0.211 0.000 0.887 66 P CB -0.019 31.541 31.700 -0.233 0.000 0.792 67 E N -0.500 119.679 120.200 -0.036 0.000 2.448 67 E HA -0.114 4.236 4.350 -0.000 0.000 0.203 67 E C 1.447 178.025 176.600 -0.036 0.000 1.046 67 E CA 1.286 57.687 56.400 0.002 0.000 0.871 67 E CB -0.723 29.011 29.700 0.057 0.000 0.790 67 E HN 0.319 nan 8.360 nan 0.000 0.545 68 A N 0.999 123.770 122.820 -0.082 0.000 2.390 68 A HA 0.232 4.552 4.320 -0.000 0.000 0.232 68 A C 0.933 178.401 177.584 -0.193 0.000 1.233 68 A CA -0.362 51.656 52.037 -0.032 0.000 0.907 68 A CB 0.480 19.547 19.000 0.112 0.000 0.967 68 A HN 0.046 nan 8.150 nan 0.000 0.512 69 V N 2.218 121.838 119.914 -0.490 0.000 2.655 69 V HA 0.184 4.304 4.120 -0.000 0.000 0.300 69 V C -2.375 173.497 176.094 -0.370 0.000 1.044 69 V CA -0.986 60.806 62.300 -0.847 0.000 1.095 69 V CB 0.441 31.725 31.823 -0.899 0.000 0.952 69 V HN 0.271 nan 8.190 nan 0.000 0.485 70 P HA 0.316 nan 4.420 nan 0.000 0.292 70 P C 0.456 177.725 177.300 -0.051 0.000 1.287 70 P CA -0.497 62.548 63.100 -0.091 0.000 0.800 70 P CB 1.056 32.753 31.700 -0.005 0.000 0.945 71 E N 1.637 121.809 120.200 -0.047 0.000 2.339 71 E HA -0.225 4.125 4.350 -0.000 0.000 0.201 71 E C 1.621 178.186 176.600 -0.058 0.000 1.015 71 E CA 1.660 58.029 56.400 -0.053 0.000 0.841 71 E CB -0.066 29.610 29.700 -0.040 0.000 0.754 71 E HN 0.434 nan 8.360 nan 0.000 0.508 72 S N -0.900 114.788 115.700 -0.020 0.000 2.461 72 S HA -0.148 4.322 4.470 -0.000 0.000 0.228 72 S C 1.685 176.265 174.600 -0.033 0.000 1.005 72 S CA 0.532 58.718 58.200 -0.023 0.000 0.942 72 S CB -0.458 62.748 63.200 0.009 0.000 0.776 72 S HN 0.607 nan 8.310 nan 0.000 0.514 73 W N 2.388 123.588 121.300 -0.167 0.000 2.341 73 W HA -0.033 4.627 4.660 -0.000 0.000 0.283 73 W C 1.469 177.863 176.519 -0.209 0.000 1.215 73 W CA 1.208 58.442 57.345 -0.185 0.000 1.211 73 W CB -0.475 28.834 29.460 -0.253 0.000 1.131 73 W HN 0.338 nan 8.180 nan 0.000 0.552 74 L N 0.240 121.120 121.223 -0.572 0.000 2.083 74 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 74 L C 2.472 179.058 176.870 -0.473 0.000 1.083 74 L CA 1.588 55.990 54.840 -0.731 0.000 0.752 74 L CB -0.681 41.022 42.059 -0.594 0.000 0.899 74 L HN -0.016 nan 8.230 nan 0.000 0.433 75 E N -1.655 118.368 120.200 -0.295 0.000 2.244 75 E HA 0.110 4.460 4.350 -0.000 0.000 0.196 75 E C 0.255 176.758 176.600 -0.162 0.000 0.939 75 E CA 0.273 56.562 56.400 -0.185 0.000 0.884 75 E CB 0.517 30.152 29.700 -0.108 0.000 0.850 75 E HN 0.313 nan 8.360 nan 0.000 0.481 76 C N 2.088 121.298 119.300 -0.150 0.000 2.563 76 C HA 0.355 4.815 4.460 -0.000 0.000 0.314 76 C C -0.023 174.951 174.990 -0.026 0.000 1.199 76 C CA -1.133 57.839 59.018 -0.077 0.000 1.564 76 C CB 1.442 29.162 27.740 -0.032 0.000 2.173 76 C HN 0.217 nan 8.230 nan 0.000 0.485 77 D N 1.594 122.005 120.400 0.019 0.000 2.382 77 D HA 0.202 4.842 4.640 -0.000 0.000 0.240 77 D C -0.306 176.073 176.300 0.133 0.000 1.146 77 D CA 0.365 54.435 54.000 0.116 0.000 0.897 77 D CB 0.710 41.564 40.800 0.091 0.000 1.197 77 D HN 0.396 nan 8.370 nan 0.000 0.432 78 L N 3.996 125.322 121.223 0.172 0.000 2.260 78 L HA 0.152 4.492 4.340 -0.000 0.000 0.289 78 L C -0.952 175.963 176.870 0.074 0.000 1.057 78 L CA -1.561 53.349 54.840 0.118 0.000 0.811 78 L CB 1.142 43.272 42.059 0.119 0.000 1.184 78 L HN 0.206 nan 8.230 nan 0.000 0.429 79 P HA -0.243 nan 4.420 nan 0.000 0.220 79 P C 0.375 177.696 177.300 0.035 0.000 1.155 79 P CA 1.548 64.672 63.100 0.040 0.000 0.880 79 P CB 0.065 31.784 31.700 0.031 0.000 0.790 80 E N -0.306 119.912 120.200 0.030 0.000 2.325 80 E HA 0.527 4.876 4.350 -0.000 0.000 0.295 80 E C -0.197 176.407 176.600 0.008 0.000 1.461 80 E CA -0.651 55.758 56.400 0.015 0.000 1.698 80 E CB -0.372 29.327 29.700 -0.003 0.000 1.496 80 E HN 0.185 nan 8.360 nan 0.000 0.474 81 A N 1.599 124.439 122.820 0.033 0.000 2.356 81 A HA 0.440 4.760 4.320 -0.000 0.000 0.310 81 A C -0.940 176.691 177.584 0.079 0.000 1.075 81 A CA -1.000 51.060 52.037 0.040 0.000 0.746 81 A CB 1.018 20.056 19.000 0.064 0.000 1.221 81 A HN 0.240 nan 8.150 nan 0.000 0.443 82 D N 1.107 121.578 120.400 0.119 0.000 2.294 82 D HA 0.411 5.051 4.640 -0.000 0.000 0.250 82 D C -0.220 176.183 176.300 0.171 0.000 1.058 82 D CA 0.312 54.402 54.000 0.150 0.000 0.950 82 D CB 1.452 42.387 40.800 0.225 0.000 1.158 82 D HN 0.390 nan 8.370 nan 0.000 0.453 83 T N 0.874 115.512 114.554 0.140 0.000 2.771 83 T HA 0.446 4.796 4.350 -0.000 0.000 0.291 83 T C 0.104 174.887 174.700 0.139 0.000 0.954 83 T CA -0.387 61.804 62.100 0.152 0.000 1.045 83 T CB 0.982 69.914 68.868 0.108 0.000 0.917 83 T HN 0.020 nan 8.240 nan 0.000 0.484 84 V N 3.148 123.174 119.914 0.186 0.000 3.156 84 V HA 0.560 4.680 4.120 -0.000 0.000 0.310 84 V C -0.493 175.704 176.094 0.171 0.000 1.234 84 V CA -0.816 61.559 62.300 0.125 0.000 1.065 84 V CB 2.570 34.461 31.823 0.114 0.000 1.088 84 V HN 0.599 nan 8.190 nan 0.000 0.451 85 V N 1.381 121.378 119.914 0.139 0.000 2.472 85 V HA 0.568 4.688 4.120 -0.000 0.000 0.290 85 V C -0.493 175.622 176.094 0.035 0.000 1.037 85 V CA -0.422 61.941 62.300 0.105 0.000 0.908 85 V CB 1.699 33.559 31.823 0.061 0.000 0.985 85 V HN 0.518 nan 8.190 nan 0.000 0.454 86 V N 6.844 126.705 119.914 -0.089 0.000 2.531 86 V HA 0.463 4.583 4.120 -0.000 0.000 0.301 86 V C -2.270 173.674 176.094 -0.250 0.000 1.034 86 V CA -1.702 60.407 62.300 -0.319 0.000 0.865 86 V CB 2.425 33.702 31.823 -0.910 0.000 0.995 86 V HN 0.761 nan 8.190 nan 0.000 0.424 87 P HA 0.457 nan 4.420 nan 0.000 0.276 87 P C -0.786 176.425 177.300 -0.147 0.000 1.252 87 P CA -0.185 62.778 63.100 -0.229 0.000 0.802 87 P CB 1.305 32.895 31.700 -0.184 0.000 1.035 88 S N -0.389 115.246 115.700 -0.108 0.000 2.578 88 S HA 0.425 4.895 4.470 -0.000 0.000 0.272 88 S C -1.342 173.204 174.600 -0.090 0.000 1.145 88 S CA -0.925 57.216 58.200 -0.098 0.000 0.835 88 S CB 0.544 63.730 63.200 -0.024 0.000 1.104 88 S HN 0.322 nan 8.310 nan 0.000 0.458 89 N N 0.791 119.374 118.700 -0.194 0.000 2.430 89 N HA 0.490 5.230 4.740 -0.000 0.000 0.292 89 N C 0.677 176.047 175.510 -0.233 0.000 1.051 89 N CA -0.645 52.271 53.050 -0.223 0.000 0.917 89 N CB 0.771 39.074 38.487 -0.306 0.000 1.164 89 N HN 0.853 nan 8.380 nan 0.000 0.484 90 W N 2.913 124.114 121.300 -0.165 0.000 2.338 90 W HA -0.166 4.494 4.660 -0.000 0.000 0.304 90 W C 1.169 177.633 176.519 -0.092 0.000 1.212 90 W CA 1.175 58.425 57.345 -0.158 0.000 1.264 90 W CB -0.528 28.801 29.460 -0.218 0.000 1.142 90 W HN 0.528 nan 8.180 nan 0.000 0.512 91 Q N 0.654 120.367 119.800 -0.145 0.000 2.197 91 Q HA -0.174 4.166 4.340 -0.000 0.000 0.207 91 Q C 1.976 177.889 176.000 -0.145 0.000 0.984 91 Q CA 2.111 57.841 55.803 -0.123 0.000 0.869 91 Q CB -0.781 27.784 28.738 -0.287 0.000 0.906 91 Q HN 0.331 nan 8.270 nan 0.000 0.426 92 M N -0.148 119.303 119.600 -0.248 0.000 2.752 92 M HA 0.011 4.491 4.480 -0.000 0.000 0.214 92 M C -0.061 176.161 176.300 -0.129 0.000 1.123 92 M CA 1.108 56.260 55.300 -0.247 0.000 1.017 92 M CB -0.832 31.577 32.600 -0.319 0.000 1.785 92 M HN 0.367 nan 8.290 nan 0.000 0.499 93 H N -1.718 117.359 119.070 0.012 0.000 3.480 93 H HA 0.290 4.846 4.556 -0.000 0.000 0.257 93 H C 1.236 176.434 175.328 -0.216 0.000 1.196 93 H CA -0.019 56.008 56.048 -0.035 0.000 1.100 93 H CB 0.818 30.643 29.762 0.105 0.000 1.683 93 H HN 0.500 nan 8.280 nan 0.000 0.702 94 G N 0.882 109.671 108.800 -0.018 0.000 2.162 94 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.260 94 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.260 94 G C 0.474 175.251 174.900 -0.205 0.000 0.976 94 G CA 0.740 45.770 45.100 -0.117 0.000 0.655 94 G HN 0.494 nan 8.290 nan 0.000 0.533 95 Y N 1.452 121.751 120.300 -0.001 0.000 2.352 95 Y HA 0.286 4.836 4.550 -0.000 0.000 0.292 95 Y C 1.591 177.240 175.900 -0.418 0.000 1.136 95 Y CA 1.474 59.420 58.100 -0.256 0.000 1.227 95 Y CB 0.165 38.479 38.460 -0.244 0.000 0.991 95 Y HN 0.716 nan 8.280 nan 0.000 0.545 96 D N -2.517 117.942 120.400 0.098 0.000 2.710 96 D HA 0.465 5.105 4.640 -0.000 0.000 0.276 96 D C -1.224 175.150 176.300 0.123 0.000 1.267 96 D CA -0.708 53.361 54.000 0.115 0.000 0.772 96 D CB 0.545 41.532 40.800 0.313 0.000 1.299 96 D HN -0.016 nan 8.370 nan 0.000 0.421 97 A N 0.181 123.080 122.820 0.132 0.000 2.388 97 A HA 0.655 4.975 4.320 -0.000 0.000 0.257 97 A C -2.240 175.359 177.584 0.024 0.000 1.095 97 A CA -0.950 51.145 52.037 0.097 0.000 0.791 97 A CB -0.171 18.947 19.000 0.197 0.000 1.029 97 A HN 0.535 nan 8.150 nan 0.000 0.489 98 P HA 0.526 nan 4.420 nan 0.000 0.282 98 P C -0.945 176.526 177.300 0.285 0.000 1.249 98 P CA -0.044 62.988 63.100 -0.113 0.000 0.806 98 P CB 0.895 32.246 31.700 -0.582 0.000 0.984 99 I N 2.081 122.912 120.570 0.435 0.000 2.509 99 I HA 0.297 4.467 4.170 -0.000 0.000 0.293 99 I C -0.605 175.647 176.117 0.224 0.000 1.020 99 I CA -0.897 60.622 61.300 0.365 0.000 1.088 99 I CB 1.928 40.071 38.000 0.239 0.000 1.267 99 I HN 0.269 nan 8.210 nan 0.000 0.430 100 Y N 5.846 126.006 120.300 -0.232 0.000 2.721 100 Y HA 0.545 5.095 4.550 -0.000 0.000 0.328 100 Y C -0.575 175.153 175.900 -0.288 0.000 1.003 100 Y CA -0.512 57.239 58.100 -0.582 0.000 1.275 100 Y CB 0.621 38.241 38.460 -1.401 0.000 1.097 100 Y HN 0.615 nan 8.280 nan 0.000 0.514 101 T N 3.460 117.509 114.554 -0.843 0.000 2.942 101 T HA 0.299 4.649 4.350 -0.000 0.000 0.289 101 T C 0.367 174.518 174.700 -0.915 0.000 1.044 101 T CA -0.871 60.758 62.100 -0.785 0.000 1.023 101 T CB 2.270 70.894 68.868 -0.406 0.000 1.123 101 T HN 0.751 nan 8.240 nan 0.000 0.512 102 N N -0.339 117.940 118.700 -0.701 0.000 2.660 102 N HA 0.027 4.767 4.740 -0.000 0.000 0.231 102 N C 1.287 176.491 175.510 -0.509 0.000 1.022 102 N CA 0.183 52.917 53.050 -0.527 0.000 1.178 102 N CB 0.306 38.494 38.487 -0.499 0.000 1.536 102 N HN 0.273 nan 8.380 nan 0.000 0.582 103 V N 1.210 120.768 119.914 -0.595 0.000 2.341 103 V HA 0.049 4.169 4.120 -0.000 0.000 0.240 103 V C 0.635 176.408 176.094 -0.536 0.000 1.035 103 V CA 0.919 62.786 62.300 -0.722 0.000 1.033 103 V CB -0.526 30.822 31.823 -0.792 0.000 0.678 103 V HN 0.353 nan 8.190 nan 0.000 0.464 104 T N 1.124 115.436 114.554 -0.403 0.000 2.908 104 T HA 0.079 4.429 4.350 -0.000 0.000 0.301 104 T C -0.424 174.125 174.700 -0.250 0.000 1.019 104 T CA 0.375 62.313 62.100 -0.271 0.000 1.152 104 T CB -0.317 68.436 68.868 -0.192 0.000 0.966 104 T HN 0.189 nan 8.240 nan 0.000 0.540 105 Y N 4.579 124.787 120.300 -0.154 0.000 2.497 105 Y HA 0.175 4.725 4.550 -0.000 0.000 0.334 105 Y C -0.938 174.842 175.900 -0.200 0.000 1.199 105 Y CA -2.052 55.944 58.100 -0.174 0.000 1.425 105 Y CB 0.370 38.719 38.460 -0.184 0.000 1.291 105 Y HN 0.517 nan 8.280 nan 0.000 0.562 106 P HA -0.040 nan 4.420 nan 0.000 0.239 106 P C -0.244 176.879 177.300 -0.295 0.000 1.184 106 P CA 1.134 64.142 63.100 -0.154 0.000 0.760 106 P CB 0.015 31.637 31.700 -0.130 0.000 0.884 107 I N -5.270 115.111 120.570 -0.315 0.000 3.074 107 I HA 0.463 4.633 4.170 -0.000 0.000 0.310 107 I C -0.962 175.043 176.117 -0.188 0.000 1.153 107 I CA -1.201 59.879 61.300 -0.368 0.000 0.993 107 I CB 2.174 39.773 38.000 -0.667 0.000 1.237 107 I HN -0.459 nan 8.210 nan 0.000 0.443 108 T N 3.101 117.578 114.554 -0.128 0.000 2.817 108 T HA 0.238 4.588 4.350 -0.000 0.000 0.295 108 T C 0.252 174.942 174.700 -0.017 0.000 0.958 108 T CA -0.357 61.716 62.100 -0.044 0.000 1.157 108 T CB 0.577 69.440 68.868 -0.009 0.000 0.898 108 T HN 0.381 nan 8.240 nan 0.000 0.536 109 V N 4.572 124.486 119.914 -0.000 0.000 2.446 109 V HA 0.260 4.380 4.120 -0.000 0.000 0.276 109 V C 0.716 176.866 176.094 0.093 0.000 1.030 109 V CA -0.164 62.163 62.300 0.045 0.000 1.033 109 V CB -0.038 31.784 31.823 -0.000 0.000 0.993 109 V HN 0.931 nan 8.190 nan 0.000 0.477 110 N N 5.454 124.260 118.700 0.177 0.000 2.926 110 N HA 0.212 4.952 4.740 -0.000 0.000 0.201 110 N C -3.092 172.480 175.510 0.103 0.000 1.419 110 N CA -0.970 52.168 53.050 0.148 0.000 0.838 110 N CB 1.351 39.984 38.487 0.243 0.000 1.534 110 N HN 0.272 nan 8.380 nan 0.000 0.569 111 P HA 0.208 nan 4.420 nan 0.000 0.266 111 P C -2.269 174.753 177.300 -0.463 0.000 1.195 111 P CA -0.695 61.978 63.100 -0.711 0.000 0.768 111 P CB 0.372 31.478 31.700 -0.989 0.000 0.838 112 P HA 0.246 nan 4.420 nan 0.000 0.262 112 P C -0.628 176.627 177.300 -0.076 0.000 1.651 112 P CA -0.354 62.555 63.100 -0.319 0.000 1.119 112 P CB 0.046 31.607 31.700 -0.231 0.000 1.552 113 F N 0.097 120.163 119.950 0.193 0.000 2.444 113 F HA 0.290 4.817 4.527 -0.000 0.000 0.331 113 F C 1.180 177.161 175.800 0.302 0.000 1.167 113 F CA -0.501 57.629 58.000 0.217 0.000 1.262 113 F CB 0.378 39.454 39.000 0.127 0.000 1.196 113 F HN -0.250 nan 8.300 nan 0.000 0.583 114 V N 2.007 122.229 119.914 0.514 0.000 3.078 114 V HA 0.433 4.553 4.120 -0.000 0.000 0.311 114 V C -2.182 174.074 176.094 0.270 0.000 1.138 114 V CA -1.935 60.573 62.300 0.347 0.000 1.007 114 V CB 2.469 34.569 31.823 0.462 0.000 1.045 114 V HN 0.578 nan 8.190 nan 0.000 0.432 115 P HA 0.072 nan 4.420 nan 0.000 0.266 115 P C 0.822 178.250 177.300 0.213 0.000 1.195 115 P CA 0.287 63.472 63.100 0.142 0.000 0.768 115 P CB 0.487 32.238 31.700 0.085 0.000 0.838 116 T N -1.223 113.432 114.554 0.168 0.000 2.995 116 T HA -0.099 4.251 4.350 -0.000 0.000 0.269 116 T C 0.290 175.092 174.700 0.170 0.000 1.091 116 T CA 0.693 62.897 62.100 0.173 0.000 1.128 116 T CB -0.487 68.454 68.868 0.121 0.000 0.891 116 T HN 0.358 nan 8.240 nan 0.000 0.492 117 E N 2.664 122.969 120.200 0.176 0.000 2.014 117 E HA 0.482 4.832 4.350 -0.000 0.000 0.275 117 E C -0.745 176.016 176.600 0.269 0.000 0.997 117 E CA -0.389 56.124 56.400 0.188 0.000 0.804 117 E CB 0.576 30.386 29.700 0.183 0.000 1.090 117 E HN 0.267 nan 8.360 nan 0.000 0.401 118 N N 3.769 122.599 118.700 0.217 0.000 2.609 118 N HA 0.254 4.994 4.740 -0.000 0.000 0.268 118 N C -2.809 172.714 175.510 0.022 0.000 1.106 118 N CA -2.605 50.592 53.050 0.245 0.000 0.823 118 N CB 1.058 39.683 38.487 0.231 0.000 1.263 118 N HN 0.055 nan 8.380 nan 0.000 0.533 119 P HA 0.005 nan 4.420 nan 0.000 0.258 119 P C -0.471 176.679 177.300 -0.250 0.000 1.172 119 P CA 0.456 63.460 63.100 -0.160 0.000 0.762 119 P CB 0.285 32.215 31.700 0.382 0.000 0.764 120 T N 2.517 116.724 114.554 -0.578 0.000 2.925 120 T HA 0.661 5.011 4.350 -0.000 0.000 0.285 120 T C 0.367 174.595 174.700 -0.786 0.000 1.021 120 T CA -0.439 61.383 62.100 -0.464 0.000 1.042 120 T CB 1.554 70.173 68.868 -0.414 0.000 1.037 120 T HN 0.404 nan 8.240 nan 0.000 0.481 121 G N 0.926 109.341 108.800 -0.641 0.000 2.845 121 G HA2 0.441 4.401 3.960 -0.000 0.000 0.282 121 G HA3 0.441 4.401 3.960 -0.000 0.000 0.282 121 G C -0.248 174.278 174.900 -0.624 0.000 1.546 121 G CA -0.537 43.988 45.100 -0.958 0.000 1.089 121 G HN 0.939 nan 8.290 nan 0.000 0.558 122 C N 2.969 121.720 119.300 -0.915 0.000 2.595 122 C HA 0.359 4.819 4.460 -0.000 0.000 0.374 122 C C 0.019 174.717 174.990 -0.486 0.000 1.250 122 C CA -1.002 57.505 59.018 -0.852 0.000 1.595 122 C CB -2.358 24.352 27.740 -1.717 0.000 2.257 122 C HN 0.545 nan 8.230 nan 0.000 0.568 123 Y N 1.559 121.928 120.300 0.115 0.000 2.403 123 Y HA 0.606 5.156 4.550 -0.000 0.000 0.323 123 Y C 0.847 177.113 175.900 0.610 0.000 1.226 123 Y CA -0.264 58.098 58.100 0.437 0.000 1.235 123 Y CB 1.157 39.924 38.460 0.511 0.000 1.248 123 Y HN 0.678 nan 8.280 nan 0.000 0.489 124 S N 1.903 118.040 115.700 0.730 0.000 2.537 124 S HA 0.697 5.167 4.470 -0.000 0.000 0.271 124 S C -1.894 172.761 174.600 0.092 0.000 1.148 124 S CA -0.804 57.652 58.200 0.427 0.000 0.868 124 S CB 2.076 65.502 63.200 0.376 0.000 1.115 124 S HN 0.588 nan 8.310 nan 0.000 0.461 125 L N 0.976 122.110 121.223 -0.148 0.000 2.482 125 L HA 0.728 5.068 4.340 -0.000 0.000 0.263 125 L C -1.301 175.534 176.870 -0.058 0.000 0.957 125 L CA 0.088 54.686 54.840 -0.403 0.000 0.836 125 L CB 2.362 43.626 42.059 -1.325 0.000 1.324 125 L HN 0.754 nan 8.230 nan 0.000 0.406 126 T N 5.612 120.150 114.554 -0.027 0.000 2.770 126 T HA 0.661 5.011 4.350 -0.000 0.000 0.297 126 T C -0.874 173.881 174.700 0.092 0.000 0.997 126 T CA -0.026 62.091 62.100 0.029 0.000 0.949 126 T CB -0.049 68.799 68.868 -0.035 0.000 0.941 126 T HN 0.404 nan 8.240 nan 0.000 0.457 127 F N 1.018 120.880 119.950 -0.147 0.000 2.620 127 F HA 0.778 5.305 4.527 -0.000 0.000 0.320 127 F C -0.553 175.184 175.800 -0.106 0.000 1.069 127 F CA -1.925 55.995 58.000 -0.133 0.000 0.953 127 F CB 0.871 39.782 39.000 -0.149 0.000 1.322 127 F HN 0.155 nan 8.300 nan 0.000 0.479 128 N N -0.091 118.543 118.700 -0.110 0.000 2.492 128 N HA 0.721 5.461 4.740 -0.000 0.000 0.289 128 N C -1.581 173.820 175.510 -0.182 0.000 1.133 128 N CA -0.438 52.493 53.050 -0.198 0.000 0.961 128 N CB 1.863 40.276 38.487 -0.123 0.000 1.186 128 N HN 0.566 nan 8.380 nan 0.000 0.493 129 V N 1.095 120.876 119.914 -0.221 0.000 2.638 129 V HA 0.254 4.374 4.120 -0.000 0.000 0.306 129 V C -0.498 175.478 176.094 -0.197 0.000 1.052 129 V CA -1.032 61.150 62.300 -0.196 0.000 0.885 129 V CB 1.708 33.469 31.823 -0.104 0.000 0.999 129 V HN 0.661 nan 8.190 nan 0.000 0.424 130 D N 2.588 122.804 120.400 -0.306 0.000 2.414 130 D HA 0.111 4.751 4.640 -0.000 0.000 0.242 130 D C 1.248 177.503 176.300 -0.075 0.000 1.129 130 D CA 0.138 54.004 54.000 -0.225 0.000 0.885 130 D CB 1.242 41.853 40.800 -0.315 0.000 1.198 130 D HN 0.715 nan 8.370 nan 0.000 0.437 131 E N 1.592 121.770 120.200 -0.037 0.000 2.058 131 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 131 E C 1.966 178.602 176.600 0.061 0.000 0.997 131 E CA 1.458 57.865 56.400 0.012 0.000 0.801 131 E CB -0.413 29.290 29.700 0.005 0.000 0.746 131 E HN 0.604 nan 8.360 nan 0.000 0.450 132 S N 1.202 116.941 115.700 0.065 0.000 2.378 132 S HA -0.257 4.212 4.470 -0.000 0.000 0.229 132 S C 1.720 176.424 174.600 0.173 0.000 1.052 132 S CA 1.340 59.608 58.200 0.113 0.000 1.084 132 S CB -1.017 62.257 63.200 0.125 0.000 0.950 132 S HN 0.415 nan 8.310 nan 0.000 0.440 133 W N 1.844 123.018 121.300 -0.210 0.000 2.359 133 W HA 0.108 4.768 4.660 -0.000 0.000 0.275 133 W C 2.119 178.603 176.519 -0.059 0.000 1.217 133 W CA 0.257 57.370 57.345 -0.387 0.000 1.196 133 W CB -0.675 28.571 29.460 -0.357 0.000 1.129 133 W HN 0.347 nan 8.180 nan 0.000 0.566 134 L N -1.281 120.064 121.223 0.203 0.000 2.354 134 L HA -0.010 4.330 4.340 -0.000 0.000 0.212 134 L C 1.986 178.927 176.870 0.119 0.000 1.091 134 L CA 0.638 55.573 54.840 0.157 0.000 0.828 134 L CB -0.958 41.165 42.059 0.107 0.000 0.973 134 L HN -0.070 nan 8.230 nan 0.000 0.461 135 Q N 0.617 120.481 119.800 0.106 0.000 2.291 135 Q HA -0.078 4.262 4.340 -0.000 0.000 0.206 135 Q C -0.230 175.820 176.000 0.083 0.000 0.976 135 Q CA 0.889 56.740 55.803 0.080 0.000 0.875 135 Q CB 0.312 29.091 28.738 0.069 0.000 0.927 135 Q HN 0.592 nan 8.270 nan 0.000 0.450 136 E N -2.689 117.583 120.200 0.120 0.000 2.442 136 E HA 0.541 4.891 4.350 -0.000 0.000 0.278 136 E C -0.251 176.421 176.600 0.120 0.000 1.082 136 E CA -0.741 55.714 56.400 0.092 0.000 0.861 136 E CB 0.566 30.308 29.700 0.070 0.000 1.462 136 E HN 0.075 nan 8.360 nan 0.000 0.458 137 G N 0.519 109.309 108.800 -0.017 0.000 2.752 137 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.234 137 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.234 137 G C -0.702 174.100 174.900 -0.164 0.000 1.367 137 G CA 0.172 45.148 45.100 -0.206 0.000 0.879 137 G HN 0.607 nan 8.290 nan 0.000 0.563 138 Q N -0.788 118.819 119.800 -0.320 0.000 2.312 138 Q HA 0.648 4.988 4.340 -0.000 0.000 0.263 138 Q C -0.937 174.970 176.000 -0.154 0.000 0.995 138 Q CA -0.437 55.264 55.803 -0.170 0.000 0.853 138 Q CB 1.459 30.103 28.738 -0.158 0.000 1.300 138 Q HN 0.575 nan 8.270 nan 0.000 0.448 139 T N 4.762 119.350 114.554 0.057 0.000 2.892 139 T HA 0.410 4.760 4.350 -0.000 0.000 0.311 139 T C -0.983 173.821 174.700 0.174 0.000 1.033 139 T CA -0.656 61.541 62.100 0.161 0.000 0.991 139 T CB 0.378 69.460 68.868 0.357 0.000 0.981 139 T HN 0.617 nan 8.240 nan 0.000 0.457 140 R N 2.859 123.435 120.500 0.128 0.000 2.787 140 R HA 0.805 5.145 4.340 -0.000 0.000 0.271 140 R C -0.748 175.635 176.300 0.138 0.000 0.993 140 R CA -1.006 55.182 56.100 0.148 0.000 0.993 140 R CB 1.629 31.994 30.300 0.107 0.000 1.155 140 R HN 0.481 nan 8.270 nan 0.000 0.486 141 I N 1.637 122.293 120.570 0.143 0.000 2.525 141 I HA 0.443 4.613 4.170 -0.000 0.000 0.301 141 I C -1.135 174.954 176.117 -0.047 0.000 0.992 141 I CA -1.425 59.881 61.300 0.011 0.000 1.162 141 I CB 1.388 39.361 38.000 -0.045 0.000 1.332 141 I HN 0.608 nan 8.210 nan 0.000 0.458 142 I N 6.530 126.958 120.570 -0.237 0.000 2.466 142 I HA 0.286 4.456 4.170 -0.000 0.000 0.289 142 I C -1.310 174.554 176.117 -0.421 0.000 1.026 142 I CA -0.197 60.988 61.300 -0.191 0.000 1.078 142 I CB 1.664 39.613 38.000 -0.084 0.000 1.249 142 I HN 0.319 nan 8.210 nan 0.000 0.429 143 F N 4.489 124.431 119.950 -0.014 0.000 2.359 143 F HA 0.307 4.834 4.527 -0.000 0.000 0.370 143 F C 1.248 176.940 175.800 -0.182 0.000 1.077 143 F CA -0.601 57.324 58.000 -0.124 0.000 1.136 143 F CB 0.601 39.538 39.000 -0.104 0.000 1.387 143 F HN 0.470 nan 8.300 nan 0.000 0.468 144 D N 1.912 122.244 120.400 -0.112 0.000 2.178 144 D HA -0.005 4.635 4.640 -0.000 0.000 0.201 144 D C 1.112 177.242 176.300 -0.283 0.000 0.980 144 D CA 1.079 54.963 54.000 -0.193 0.000 0.842 144 D CB 0.383 41.025 40.800 -0.263 0.000 0.948 144 D HN 0.588 nan 8.370 nan 0.000 0.472 145 G N -1.011 107.515 108.800 -0.456 0.000 2.766 145 G HA2 0.504 4.464 3.960 -0.000 0.000 0.297 145 G HA3 0.504 4.464 3.960 -0.000 0.000 0.297 145 G C -1.582 172.836 174.900 -0.805 0.000 1.431 145 G CA -0.352 44.240 45.100 -0.846 0.000 1.042 145 G HN -0.055 nan 8.290 nan 0.000 0.542 146 V N 2.209 121.889 119.914 -0.390 0.000 2.775 146 V HA 0.425 4.545 4.120 -0.000 0.000 0.295 146 V C -1.244 174.946 176.094 0.161 0.000 1.226 146 V CA -1.201 60.998 62.300 -0.168 0.000 0.934 146 V CB 1.958 33.463 31.823 -0.530 0.000 1.056 146 V HN 0.785 nan 8.190 nan 0.000 0.436 147 N N 1.873 120.702 118.700 0.215 0.000 2.342 147 N HA 0.428 5.168 4.740 -0.000 0.000 0.293 147 N C 0.785 176.292 175.510 -0.006 0.000 1.026 147 N CA 0.307 53.412 53.050 0.091 0.000 0.857 147 N CB 2.520 40.960 38.487 -0.080 0.000 1.256 147 N HN 0.722 nan 8.380 nan 0.000 0.484 148 S N 1.922 117.634 115.700 0.020 0.000 2.499 148 S HA 0.453 4.923 4.470 -0.000 0.000 0.225 148 S C 0.543 175.226 174.600 0.139 0.000 1.050 148 S CA 0.144 58.398 58.200 0.090 0.000 0.928 148 S CB 0.283 63.551 63.200 0.113 0.000 0.803 148 S HN 0.665 nan 8.310 nan 0.000 0.506 149 A N 0.725 123.632 122.820 0.146 0.000 2.569 149 A HA 0.837 5.157 4.320 -0.000 0.000 0.290 149 A C -1.244 176.459 177.584 0.198 0.000 1.136 149 A CA -0.946 51.147 52.037 0.094 0.000 0.710 149 A CB 1.086 20.126 19.000 0.067 0.000 1.303 149 A HN 1.089 nan 8.150 nan 0.000 0.413 150 F N -1.320 118.442 119.950 -0.314 0.000 2.725 150 F HA 0.634 5.161 4.527 -0.000 0.000 0.309 150 F C -1.173 174.534 175.800 -0.156 0.000 1.132 150 F CA -0.853 57.055 58.000 -0.153 0.000 0.957 150 F CB 0.744 39.667 39.000 -0.127 0.000 1.286 150 F HN 0.623 nan 8.300 nan 0.000 0.440 151 H N 1.785 121.063 119.070 0.346 0.000 2.482 151 H HA 0.746 5.302 4.556 -0.000 0.000 0.344 151 H C -1.186 174.254 175.328 0.187 0.000 1.151 151 H CA -0.559 55.671 56.048 0.305 0.000 1.300 151 H CB 2.223 32.300 29.762 0.526 0.000 1.494 151 H HN 0.785 nan 8.280 nan 0.000 0.542 152 L N 3.264 124.385 121.223 -0.170 0.000 2.504 152 L HA 0.284 4.624 4.340 -0.000 0.000 0.265 152 L C -1.515 175.132 176.870 -0.371 0.000 0.975 152 L CA -0.546 54.204 54.840 -0.150 0.000 0.864 152 L CB 0.726 42.571 42.059 -0.358 0.000 1.212 152 L HN 0.503 nan 8.230 nan 0.000 0.416 153 W N 3.965 125.201 121.300 -0.107 0.000 2.415 153 W HA 0.648 5.308 4.660 -0.000 0.000 0.355 153 W C -0.489 175.911 176.519 -0.198 0.000 1.161 153 W CA -0.770 56.471 57.345 -0.174 0.000 1.315 153 W CB 1.988 31.375 29.460 -0.121 0.000 1.261 153 W HN 0.632 nan 8.180 nan 0.000 0.636 154 C N 3.916 123.212 119.300 -0.006 0.000 2.607 154 C HA 0.209 4.669 4.460 -0.000 0.000 0.350 154 C C 0.134 175.163 174.990 0.064 0.000 1.101 154 C CA -0.565 58.437 59.018 -0.027 0.000 1.282 154 C CB -0.421 27.222 27.740 -0.162 0.000 1.825 154 C HN 0.821 nan 8.230 nan 0.000 0.460 155 N N 3.427 122.167 118.700 0.065 0.000 2.710 155 N HA -0.199 4.541 4.740 -0.000 0.000 0.249 155 N C 1.019 176.571 175.510 0.069 0.000 1.059 155 N CA 2.286 55.367 53.050 0.051 0.000 0.720 155 N CB -1.195 37.336 38.487 0.073 0.000 0.983 155 N HN 1.870 nan 8.380 nan 0.000 0.544 156 G N -1.605 107.234 108.800 0.066 0.000 2.279 156 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.223 156 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.223 156 G C 0.135 175.198 174.900 0.271 0.000 1.015 156 G CA 0.269 45.421 45.100 0.086 0.000 0.621 156 G HN 0.521 nan 8.290 nan 0.000 0.506 157 R N -0.729 119.949 120.500 0.297 0.000 2.486 157 R HA 0.508 4.848 4.340 -0.000 0.000 0.286 157 R C -0.256 176.154 176.300 0.182 0.000 0.999 157 R CA -0.776 55.532 56.100 0.346 0.000 0.993 157 R CB 1.097 31.640 30.300 0.404 0.000 1.084 157 R HN 0.237 nan 8.270 nan 0.000 0.487 158 W N 2.628 123.852 121.300 -0.127 0.000 2.216 158 W HA 0.117 4.777 4.660 -0.000 0.000 0.326 158 W C 0.050 176.333 176.519 -0.394 0.000 1.319 158 W CA 0.074 57.039 57.345 -0.634 0.000 1.213 158 W CB 0.682 29.809 29.460 -0.556 0.000 1.171 158 W HN 0.303 nan 8.180 nan 0.000 0.557 159 V N 4.818 123.905 119.914 -1.378 0.000 2.996 159 V HA 0.545 4.665 4.120 -0.000 0.000 0.235 159 V C 0.947 176.118 176.094 -1.538 0.000 1.205 159 V CA 0.862 62.439 62.300 -1.206 0.000 1.225 159 V CB -0.112 31.040 31.823 -1.118 0.000 0.995 159 V HN 0.845 nan 8.190 nan 0.000 0.484 160 G N -1.519 106.017 108.800 -2.106 0.000 2.348 160 G HA2 0.471 4.431 3.960 -0.000 0.000 0.296 160 G HA3 0.471 4.431 3.960 -0.000 0.000 0.296 160 G C -2.253 172.266 174.900 -0.635 0.000 1.258 160 G CA 0.044 44.354 45.100 -1.317 0.000 0.868 160 G HN 0.138 nan 8.290 nan 0.000 0.488 161 Y N -0.967 119.158 120.300 -0.292 0.000 2.702 161 Y HA 0.608 5.158 4.550 -0.000 0.000 0.336 161 Y C -0.389 175.362 175.900 -0.248 0.000 1.203 161 Y CA 0.164 58.035 58.100 -0.381 0.000 1.072 161 Y CB 1.547 39.950 38.460 -0.095 0.000 1.327 161 Y HN 1.646 nan 8.280 nan 0.000 0.456 162 G N 2.945 111.008 108.800 -1.227 0.000 2.673 162 G HA2 0.568 4.528 3.960 -0.000 0.000 0.292 162 G HA3 0.568 4.528 3.960 -0.000 0.000 0.292 162 G C -2.368 172.099 174.900 -0.721 0.000 1.450 162 G CA -0.940 43.720 45.100 -0.734 0.000 0.837 162 G HN 0.627 nan 8.290 nan 0.000 0.505 163 Q N -0.250 119.389 119.800 -0.269 0.000 2.528 163 Q HA 0.604 4.944 4.340 -0.000 0.000 0.289 163 Q C -1.519 174.499 176.000 0.029 0.000 1.091 163 Q CA -0.836 54.919 55.803 -0.080 0.000 0.797 163 Q CB 2.953 31.691 28.738 -0.001 0.000 1.466 163 Q HN 0.670 nan 8.270 nan 0.000 0.436 164 D N 0.076 120.532 120.400 0.093 0.000 3.716 164 D HA -0.090 4.550 4.640 -0.000 0.000 0.220 164 D C -0.300 176.080 176.300 0.133 0.000 1.213 164 D CA 0.558 54.628 54.000 0.116 0.000 0.781 164 D CB -0.616 40.237 40.800 0.089 0.000 0.506 164 D HN 0.575 nan 8.370 nan 0.000 0.222 165 S N 2.480 118.278 115.700 0.164 0.000 2.537 165 S HA -0.119 4.351 4.470 -0.000 0.000 0.240 165 S C 1.589 176.342 174.600 0.254 0.000 0.981 165 S CA 0.739 59.072 58.200 0.221 0.000 0.948 165 S CB 0.299 63.628 63.200 0.214 0.000 0.759 165 S HN 0.437 nan 8.310 nan 0.000 0.531 166 R N 0.002 120.603 120.500 0.169 0.000 2.476 166 R HA 0.504 4.844 4.340 -0.000 0.000 0.276 166 R C -0.524 175.832 176.300 0.094 0.000 0.941 166 R CA 0.078 56.265 56.100 0.145 0.000 1.088 166 R CB 0.332 30.740 30.300 0.180 0.000 1.216 166 R HN 0.309 nan 8.270 nan 0.000 0.533 167 L N 1.618 122.874 121.223 0.055 0.000 2.431 167 L HA 0.528 4.868 4.340 -0.000 0.000 0.266 167 L C -2.335 174.527 176.870 -0.014 0.000 0.978 167 L CA -2.413 52.436 54.840 0.016 0.000 0.822 167 L CB 2.699 44.770 42.059 0.020 0.000 1.310 167 L HN -0.071 nan 8.230 nan 0.000 0.409 168 P HA 0.007 nan 4.420 nan 0.000 0.265 168 P C -0.864 176.433 177.300 -0.006 0.000 1.187 168 P CA 0.016 63.093 63.100 -0.039 0.000 0.766 168 P CB 0.655 32.298 31.700 -0.095 0.000 0.820 169 S N 1.592 117.348 115.700 0.093 0.000 2.449 169 S HA 0.326 4.796 4.470 -0.000 0.000 0.310 169 S C -0.268 174.351 174.600 0.032 0.000 1.096 169 S CA -0.711 57.524 58.200 0.059 0.000 1.095 169 S CB 1.016 64.384 63.200 0.281 0.000 1.007 169 S HN 0.399 nan 8.310 nan 0.000 0.474 170 E N 1.898 121.948 120.200 -0.250 0.000 2.244 170 E HA 0.688 5.038 4.350 -0.000 0.000 0.266 170 E C -1.412 174.856 176.600 -0.554 0.000 0.914 170 E CA -0.734 55.568 56.400 -0.164 0.000 0.794 170 E CB 1.646 31.350 29.700 0.006 0.000 1.210 170 E HN 0.438 nan 8.360 nan 0.000 0.414 171 F N 0.194 120.215 119.950 0.119 0.000 2.615 171 F HA 0.177 4.704 4.527 -0.000 0.000 0.312 171 F C -0.383 175.478 175.800 0.101 0.000 1.119 171 F CA -1.127 56.928 58.000 0.092 0.000 0.979 171 F CB 1.743 40.786 39.000 0.073 0.000 1.266 171 F HN 0.288 nan 8.300 nan 0.000 0.444 172 D N 2.951 123.537 120.400 0.310 0.000 2.317 172 D HA 0.259 4.899 4.640 -0.000 0.000 0.252 172 D C 0.365 176.873 176.300 0.347 0.000 1.174 172 D CA 0.284 54.435 54.000 0.253 0.000 0.866 172 D CB 1.182 42.094 40.800 0.186 0.000 1.127 172 D HN 0.589 nan 8.370 nan 0.000 0.467 173 L N 2.698 124.114 121.223 0.322 0.000 2.640 173 L HA 0.011 4.351 4.340 -0.000 0.000 0.230 173 L C 2.109 179.225 176.870 0.411 0.000 1.123 173 L CA -0.107 54.989 54.840 0.428 0.000 0.900 173 L CB 0.112 42.356 42.059 0.308 0.000 1.146 173 L HN 0.280 nan 8.230 nan 0.000 0.484 174 S N 1.408 117.267 115.700 0.264 0.000 2.372 174 S HA -0.264 4.206 4.470 -0.000 0.000 0.227 174 S C 1.967 176.613 174.600 0.077 0.000 1.044 174 S CA 1.791 60.086 58.200 0.157 0.000 1.050 174 S CB -0.180 63.078 63.200 0.096 0.000 0.901 174 S HN 0.548 nan 8.310 nan 0.000 0.447 175 A N -0.659 122.134 122.820 -0.045 0.000 2.252 175 A HA 0.307 4.627 4.320 -0.000 0.000 0.207 175 A C 1.045 178.340 177.584 -0.481 0.000 1.194 175 A CA 0.480 52.319 52.037 -0.330 0.000 0.809 175 A CB -0.528 18.091 19.000 -0.635 0.000 0.814 175 A HN 0.516 nan 8.150 nan 0.000 0.482 176 F N -1.591 118.397 119.950 0.063 0.000 2.819 176 F HA 0.336 4.863 4.527 -0.000 0.000 0.325 176 F C 0.591 176.421 175.800 0.049 0.000 1.041 176 F CA -0.529 57.505 58.000 0.056 0.000 1.184 176 F CB 0.061 39.098 39.000 0.062 0.000 1.019 176 F HN -0.087 nan 8.300 nan 0.000 0.590 177 L N 2.248 123.620 121.223 0.249 0.000 2.439 177 L HA 0.314 4.654 4.340 -0.000 0.000 0.269 177 L C 0.227 177.140 176.870 0.072 0.000 1.179 177 L CA 0.003 54.934 54.840 0.152 0.000 0.828 177 L CB 0.570 42.736 42.059 0.179 0.000 1.106 177 L HN 0.053 nan 8.230 nan 0.000 0.467 178 R N 1.395 121.899 120.500 0.006 0.000 2.778 178 R HA 0.646 4.986 4.340 -0.000 0.000 0.277 178 R C -0.625 175.648 176.300 -0.046 0.000 0.977 178 R CA -0.908 55.180 56.100 -0.021 0.000 0.950 178 R CB 1.730 32.001 30.300 -0.049 0.000 1.165 178 R HN 0.691 nan 8.270 nan 0.000 0.474 179 A N 1.283 124.082 122.820 -0.035 0.000 2.401 179 A HA 0.553 4.873 4.320 -0.000 0.000 0.259 179 A C 0.846 178.376 177.584 -0.089 0.000 1.103 179 A CA 0.801 52.807 52.037 -0.052 0.000 0.789 179 A CB -0.054 18.928 19.000 -0.030 0.000 1.035 179 A HN 0.909 nan 8.150 nan 0.000 0.491 180 G N 1.319 110.045 108.800 -0.124 0.000 2.498 180 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.245 180 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.245 180 G C -0.010 174.760 174.900 -0.218 0.000 1.204 180 G CA 0.090 45.101 45.100 -0.147 0.000 0.933 180 G HN 1.043 nan 8.290 nan 0.000 0.574 181 E N 1.737 121.825 120.200 -0.187 0.000 2.820 181 E HA 0.061 4.411 4.350 -0.000 0.000 0.251 181 E C 0.025 176.448 176.600 -0.295 0.000 0.944 181 E CA 0.717 56.981 56.400 -0.227 0.000 0.955 181 E CB -0.107 29.507 29.700 -0.144 0.000 0.904 181 E HN 0.395 nan 8.360 nan 0.000 0.513 182 N N 2.919 121.321 118.700 -0.496 0.000 2.284 182 N HA 0.309 5.048 4.740 -0.000 0.000 0.289 182 N C -0.980 174.283 175.510 -0.412 0.000 1.179 182 N CA -0.641 52.086 53.050 -0.538 0.000 0.774 182 N CB 2.069 40.030 38.487 -0.876 0.000 1.548 182 N HN 0.292 nan 8.380 nan 0.000 0.473 183 R N 2.509 122.930 120.500 -0.132 0.000 2.468 183 R HA 0.376 4.716 4.340 -0.000 0.000 0.302 183 R C -0.962 175.402 176.300 0.106 0.000 1.041 183 R CA -0.428 55.680 56.100 0.012 0.000 0.899 183 R CB 0.598 30.863 30.300 -0.058 0.000 1.167 183 R HN 0.576 nan 8.270 nan 0.000 0.483 184 L N 2.367 123.734 121.223 0.239 0.000 2.453 184 L HA 0.481 4.821 4.340 -0.000 0.000 0.261 184 L C 0.219 177.167 176.870 0.129 0.000 1.179 184 L CA -0.237 54.720 54.840 0.195 0.000 0.813 184 L CB 1.316 43.472 42.059 0.161 0.000 1.110 184 L HN 0.734 nan 8.230 nan 0.000 0.466 185 A N 2.480 125.411 122.820 0.184 0.000 2.604 185 A HA 0.554 4.874 4.320 -0.000 0.000 0.285 185 A C -1.132 176.774 177.584 0.536 0.000 1.095 185 A CA -0.480 51.666 52.037 0.182 0.000 0.842 185 A CB 0.827 19.466 19.000 -0.603 0.000 1.385 185 A HN 0.312 nan 8.150 nan 0.000 0.404 186 V N 2.064 122.398 119.914 0.699 0.000 2.350 186 V HA 0.559 4.679 4.120 -0.000 0.000 0.276 186 V C 0.278 176.751 176.094 0.632 0.000 1.028 186 V CA -0.354 62.306 62.300 0.600 0.000 0.860 186 V CB 1.127 33.135 31.823 0.307 0.000 0.990 186 V HN 0.931 nan 8.190 nan 0.000 0.453 187 M N 6.419 126.397 119.600 0.630 0.000 2.055 187 M HA 0.560 5.040 4.480 -0.000 0.000 0.347 187 M C -1.240 175.256 176.300 0.326 0.000 1.123 187 M CA -0.166 55.339 55.300 0.343 0.000 1.035 187 M CB 0.990 33.819 32.600 0.382 0.000 1.484 187 M HN 0.480 nan 8.290 nan 0.000 0.428 188 V N 6.401 126.474 119.914 0.265 0.000 2.567 188 V HA 0.472 4.592 4.120 -0.000 0.000 0.289 188 V C -0.049 176.173 176.094 0.214 0.000 1.049 188 V CA -0.651 61.824 62.300 0.290 0.000 0.969 188 V CB 1.568 33.642 31.823 0.418 0.000 0.995 188 V HN 0.821 nan 8.190 nan 0.000 0.471 189 L N 3.986 125.298 121.223 0.150 0.000 2.346 189 L HA 0.598 4.938 4.340 -0.000 0.000 0.274 189 L C 1.263 178.123 176.870 -0.016 0.000 1.007 189 L CA -0.683 54.171 54.840 0.022 0.000 0.818 189 L CB 1.751 43.743 42.059 -0.112 0.000 1.284 189 L HN 0.537 nan 8.230 nan 0.000 0.424 190 R N 1.759 122.153 120.500 -0.177 0.000 2.070 190 R HA -0.010 4.330 4.340 -0.000 0.000 0.227 190 R C -0.320 175.682 176.300 -0.497 0.000 1.147 190 R CA 1.508 57.236 56.100 -0.620 0.000 0.924 190 R CB 0.039 29.565 30.300 -1.291 0.000 0.827 190 R HN 0.546 nan 8.270 nan 0.000 0.431 191 W N 0.496 121.848 121.300 0.086 0.000 2.376 191 W HA 0.292 4.952 4.660 -0.000 0.000 0.322 191 W C 0.401 177.021 176.519 0.169 0.000 1.160 191 W CA -0.658 56.749 57.345 0.104 0.000 1.218 191 W CB 1.057 30.581 29.460 0.105 0.000 1.205 191 W HN 0.146 nan 8.180 nan 0.000 0.559 192 S N -0.525 115.466 115.700 0.485 0.000 2.672 192 S HA 0.196 4.666 4.470 -0.000 0.000 0.271 192 S C 0.173 175.056 174.600 0.471 0.000 1.171 192 S CA -0.269 58.237 58.200 0.509 0.000 0.817 192 S CB 0.957 64.409 63.200 0.420 0.000 1.150 192 S HN 0.603 nan 8.310 nan 0.000 0.478 193 D N 0.517 121.198 120.400 0.467 0.000 2.178 193 D HA 0.094 4.734 4.640 -0.000 0.000 0.202 193 D C 1.872 178.507 176.300 0.558 0.000 0.974 193 D CA 1.206 55.523 54.000 0.527 0.000 0.841 193 D CB -0.880 40.115 40.800 0.326 0.000 0.953 193 D HN 0.726 nan 8.370 nan 0.000 0.478 194 G N -0.049 108.993 108.800 0.404 0.000 2.479 194 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.220 194 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.220 194 G C 1.703 176.804 174.900 0.335 0.000 1.115 194 G CA 0.828 46.138 45.100 0.350 0.000 0.757 194 G HN 0.310 nan 8.290 nan 0.000 0.560 195 S N -0.113 115.775 115.700 0.314 0.000 2.382 195 S HA -0.105 4.365 4.470 -0.000 0.000 0.228 195 S C 1.943 176.665 174.600 0.204 0.000 1.027 195 S CA 0.826 59.171 58.200 0.243 0.000 0.991 195 S CB -0.386 62.955 63.200 0.235 0.000 0.823 195 S HN 0.536 nan 8.310 nan 0.000 0.469 196 Y N 1.268 121.690 120.300 0.203 0.000 2.384 196 Y HA -0.006 4.544 4.550 -0.000 0.000 0.289 196 Y C 1.397 177.404 175.900 0.178 0.000 1.152 196 Y CA 0.676 58.821 58.100 0.075 0.000 1.258 196 Y CB -0.367 37.994 38.460 -0.166 0.000 0.979 196 Y HN 0.212 nan 8.280 nan 0.000 0.549 197 L N -0.214 121.210 121.223 0.334 0.000 2.818 197 L HA 0.223 4.563 4.340 -0.000 0.000 0.243 197 L C -0.217 176.805 176.870 0.253 0.000 1.185 197 L CA 0.212 55.207 54.840 0.259 0.000 0.988 197 L CB 0.042 42.244 42.059 0.238 0.000 1.292 197 L HN 0.076 nan 8.230 nan 0.000 0.519 198 E N -0.134 120.229 120.200 0.271 0.000 4.129 198 E HA 0.094 4.444 4.350 -0.000 0.000 0.222 198 E C -0.687 176.035 176.600 0.203 0.000 1.179 198 E CA -0.072 56.474 56.400 0.244 0.000 1.334 198 E CB 0.691 30.531 29.700 0.234 0.000 1.202 198 E HN 0.005 nan 8.360 nan 0.000 0.428 199 D N 1.451 121.937 120.400 0.142 0.000 2.561 199 D HA 0.045 4.685 4.640 -0.000 0.000 0.232 199 D C -0.276 176.042 176.300 0.031 0.000 1.198 199 D CA -0.144 53.836 54.000 -0.035 0.000 0.826 199 D CB 0.229 40.837 40.800 -0.320 0.000 0.992 199 D HN 0.118 nan 8.370 nan 0.000 0.490 200 Q N 0.563 120.458 119.800 0.159 0.000 2.392 200 Q HA 0.093 4.433 4.340 -0.000 0.000 0.262 200 Q C 0.157 176.246 176.000 0.149 0.000 1.003 200 Q CA 0.137 56.077 55.803 0.228 0.000 0.888 200 Q CB 0.681 29.631 28.738 0.353 0.000 1.260 200 Q HN 0.111 nan 8.270 nan 0.000 0.435 201 D N 3.157 123.649 120.400 0.153 0.000 2.367 201 D HA 0.158 4.798 4.640 -0.000 0.000 0.255 201 D C -0.746 175.653 176.300 0.165 0.000 1.300 201 D CA 0.252 54.309 54.000 0.096 0.000 0.959 201 D CB -0.093 40.762 40.800 0.092 0.000 1.064 201 D HN 0.531 nan 8.370 nan 0.000 0.509 202 M N 1.110 120.793 119.600 0.138 0.000 3.012 202 M HA 0.348 4.828 4.480 -0.000 0.000 0.272 202 M C -1.492 174.939 176.300 0.219 0.000 1.187 202 M CA -1.171 54.195 55.300 0.109 0.000 0.813 202 M CB 1.257 33.892 32.600 0.058 0.000 1.626 202 M HN -0.078 nan 8.290 nan 0.000 0.507 203 W N 1.510 122.906 121.300 0.159 0.000 2.210 203 W HA 0.426 5.086 4.660 -0.000 0.000 0.330 203 W C 0.143 176.685 176.519 0.039 0.000 1.334 203 W CA 0.218 57.651 57.345 0.147 0.000 1.227 203 W CB 0.477 29.970 29.460 0.054 0.000 1.178 203 W HN 0.332 nan 8.180 nan 0.000 0.560 204 R N 4.193 124.864 120.500 0.285 0.000 2.308 204 R HA 0.301 4.641 4.340 -0.000 0.000 0.325 204 R C -0.044 176.285 176.300 0.049 0.000 1.161 204 R CA -0.187 56.009 56.100 0.160 0.000 1.022 204 R CB -0.226 30.204 30.300 0.218 0.000 1.091 204 R HN 0.553 nan 8.270 nan 0.000 0.497 205 M N -0.114 119.425 119.600 -0.102 0.000 2.492 205 M HA 0.513 4.993 4.480 -0.000 0.000 0.238 205 M C -0.137 175.877 176.300 -0.476 0.000 0.928 205 M CA -0.526 54.597 55.300 -0.295 0.000 1.392 205 M CB 1.431 33.837 32.600 -0.322 0.000 1.317 205 M HN 0.538 nan 8.290 nan 0.000 0.739 206 S N -1.209 114.108 115.700 -0.638 0.000 2.633 206 S HA 0.649 5.119 4.470 -0.000 0.000 0.271 206 S C -0.772 173.428 174.600 -0.667 0.000 1.112 206 S CA 0.046 57.800 58.200 -0.744 0.000 0.828 206 S CB 0.888 63.419 63.200 -1.116 0.000 1.086 206 S HN 1.574 nan 8.310 nan 0.000 0.461 207 G N 1.252 109.865 108.800 -0.311 0.000 2.396 207 G HA2 0.018 3.978 3.960 -0.000 0.000 0.254 207 G HA3 0.018 3.978 3.960 -0.000 0.000 0.254 207 G C -0.878 174.059 174.900 0.062 0.000 1.248 207 G CA -0.435 44.734 45.100 0.115 0.000 1.033 207 G HN 1.404 nan 8.290 nan 0.000 0.502 208 I N 2.070 122.528 120.570 -0.186 0.000 2.224 208 I HA 0.261 4.431 4.170 -0.000 0.000 0.293 208 I C 1.193 177.169 176.117 -0.236 0.000 1.155 208 I CA -0.125 60.933 61.300 -0.403 0.000 1.297 208 I CB -0.447 37.069 38.000 -0.806 0.000 1.487 208 I HN 0.479 nan 8.210 nan 0.000 0.564 209 F N 3.373 123.171 119.950 -0.254 0.000 2.732 209 F HA 0.431 4.958 4.527 -0.000 0.000 0.303 209 F C 0.638 176.347 175.800 -0.151 0.000 1.110 209 F CA -0.588 57.292 58.000 -0.201 0.000 1.355 209 F CB -0.149 38.737 39.000 -0.189 0.000 1.081 209 F HN 0.126 nan 8.300 nan 0.000 0.565 210 R N 0.168 120.320 120.500 -0.580 0.000 2.869 210 R HA 0.283 4.623 4.340 -0.000 0.000 0.263 210 R C -0.982 175.135 176.300 -0.305 0.000 1.066 210 R CA -1.175 54.682 56.100 -0.406 0.000 0.960 210 R CB 0.699 30.715 30.300 -0.473 0.000 1.221 210 R HN -0.004 nan 8.270 nan 0.000 0.474 211 D N 0.413 120.680 120.400 -0.221 0.000 2.406 211 D HA 0.140 4.780 4.640 -0.000 0.000 0.234 211 D C -0.556 175.622 176.300 -0.203 0.000 1.196 211 D CA 0.369 54.262 54.000 -0.178 0.000 0.881 211 D CB 0.512 41.240 40.800 -0.120 0.000 1.205 211 D HN 0.005 nan 8.370 nan 0.000 0.453 212 V N 1.201 121.006 119.914 -0.181 0.000 2.443 212 V HA 0.493 4.613 4.120 -0.000 0.000 0.293 212 V C -0.330 175.666 176.094 -0.164 0.000 1.021 212 V CA -0.586 61.576 62.300 -0.229 0.000 0.848 212 V CB 1.223 32.939 31.823 -0.177 0.000 0.998 212 V HN 0.707 nan 8.190 nan 0.000 0.424 213 S N 5.202 120.772 115.700 -0.216 0.000 2.667 213 S HA 0.875 5.345 4.470 -0.000 0.000 0.292 213 S C -0.953 173.590 174.600 -0.095 0.000 1.126 213 S CA -0.965 57.169 58.200 -0.110 0.000 0.881 213 S CB 2.311 65.474 63.200 -0.062 0.000 1.132 213 S HN 0.440 nan 8.310 nan 0.000 0.492 214 L N 1.509 122.750 121.223 0.031 0.000 2.381 214 L HA 0.620 4.960 4.340 -0.000 0.000 0.274 214 L C -1.566 175.437 176.870 0.223 0.000 0.988 214 L CA -0.794 54.143 54.840 0.161 0.000 0.824 214 L CB 1.791 44.030 42.059 0.300 0.000 1.263 214 L HN 0.586 nan 8.230 nan 0.000 0.410 215 L N 2.955 124.260 121.223 0.137 0.000 2.365 215 L HA 0.507 4.847 4.340 -0.000 0.000 0.273 215 L C -0.998 175.793 176.870 -0.130 0.000 1.000 215 L CA -0.242 54.610 54.840 0.019 0.000 0.819 215 L CB 1.650 43.722 42.059 0.021 0.000 1.284 215 L HN 0.482 nan 8.230 nan 0.000 0.418 216 H N 3.666 122.435 119.070 -0.501 0.000 2.638 216 H HA 0.541 5.097 4.556 -0.000 0.000 0.317 216 H C -1.139 173.920 175.328 -0.450 0.000 1.006 216 H CA -0.286 55.327 56.048 -0.724 0.000 1.222 216 H CB 0.820 29.574 29.762 -1.681 0.000 1.419 216 H HN 0.618 nan 8.280 nan 0.000 0.489 217 K N 5.796 125.787 120.400 -0.683 0.000 2.208 217 K HA 0.388 4.708 4.320 -0.000 0.000 0.247 217 K C -2.610 173.641 176.600 -0.582 0.000 0.953 217 K CA -2.362 53.610 56.287 -0.524 0.000 0.837 217 K CB 1.558 33.848 32.500 -0.351 0.000 1.131 217 K HN 0.461 nan 8.250 nan 0.000 0.431 218 P HA -0.009 nan 4.420 nan 0.000 0.272 218 P C 0.315 177.477 177.300 -0.229 0.000 1.240 218 P CA -0.143 62.789 63.100 -0.280 0.000 0.791 218 P CB 0.441 32.036 31.700 -0.175 0.000 0.978 219 T N -2.253 112.204 114.554 -0.163 0.000 2.788 219 T HA -0.065 4.285 4.350 -0.000 0.000 0.268 219 T C 0.739 175.367 174.700 -0.121 0.000 1.044 219 T CA 1.382 63.407 62.100 -0.125 0.000 1.139 219 T CB -0.980 67.839 68.868 -0.082 0.000 0.867 219 T HN 0.358 nan 8.240 nan 0.000 0.454 220 T N 3.320 117.802 114.554 -0.120 0.000 2.770 220 T HA 0.491 4.841 4.350 -0.000 0.000 0.297 220 T C -0.304 174.311 174.700 -0.142 0.000 0.997 220 T CA -0.807 61.216 62.100 -0.129 0.000 0.949 220 T CB 0.966 69.764 68.868 -0.118 0.000 0.941 220 T HN 0.614 nan 8.240 nan 0.000 0.457 221 Q N 2.823 122.529 119.800 -0.157 0.000 2.626 221 Q HA 0.588 4.928 4.340 -0.000 0.000 0.300 221 Q C -1.242 174.661 176.000 -0.163 0.000 0.988 221 Q CA -1.136 54.561 55.803 -0.177 0.000 0.761 221 Q CB 1.265 29.866 28.738 -0.228 0.000 1.494 221 Q HN 0.456 nan 8.270 nan 0.000 0.439 222 I N 2.405 122.844 120.570 -0.218 0.000 2.471 222 I HA 0.041 4.211 4.170 -0.000 0.000 0.286 222 I C 0.646 176.624 176.117 -0.232 0.000 1.079 222 I CA 0.043 61.238 61.300 -0.175 0.000 1.398 222 I CB 1.228 39.081 38.000 -0.244 0.000 1.403 222 I HN 0.847 nan 8.210 nan 0.000 0.530 223 S N 2.515 118.216 115.700 0.000 0.000 2.505 223 S HA 0.230 4.700 4.470 -0.000 0.000 0.216 223 S C 0.078 174.914 174.600 0.394 0.000 1.018 223 S CA -0.328 57.934 58.200 0.104 0.000 0.911 223 S CB 0.347 63.570 63.200 0.039 0.000 0.818 223 S HN 0.737 nan 8.310 nan 0.000 0.497 224 D N -0.187 120.481 120.400 0.447 0.000 2.728 224 D HA 0.512 5.152 4.640 -0.000 0.000 0.249 224 D C -2.007 174.579 176.300 0.475 0.000 1.225 224 D CA -0.666 53.600 54.000 0.444 0.000 0.748 224 D CB 1.511 42.445 40.800 0.223 0.000 1.326 224 D HN 0.178 nan 8.370 nan 0.000 0.426 225 F N -0.607 119.454 119.950 0.184 0.000 2.669 225 F HA 0.566 5.093 4.527 -0.000 0.000 0.315 225 F C -1.796 174.159 175.800 0.259 0.000 1.109 225 F CA -0.716 57.333 58.000 0.081 0.000 1.028 225 F CB 0.790 39.847 39.000 0.095 0.000 1.287 225 F HN 0.307 nan 8.300 nan 0.000 0.452 226 H N 1.790 120.893 119.070 0.056 0.000 2.690 226 H HA 0.845 5.401 4.556 -0.000 0.000 0.368 226 H C -1.388 173.950 175.328 0.016 0.000 1.150 226 H CA -1.635 54.382 56.048 -0.052 0.000 1.174 226 H CB 2.849 32.575 29.762 -0.060 0.000 1.684 226 H HN 0.648 nan 8.280 nan 0.000 0.538 227 V N 1.233 121.207 119.914 0.100 0.000 2.769 227 V HA 0.813 4.933 4.120 -0.000 0.000 0.312 227 V C -0.699 175.387 176.094 -0.013 0.000 1.061 227 V CA -0.448 61.873 62.300 0.035 0.000 0.931 227 V CB 1.736 33.559 31.823 0.000 0.000 1.010 227 V HN 0.993 nan 8.190 nan 0.000 0.433 228 A N 2.412 125.209 122.820 -0.039 0.000 2.604 228 A HA 0.899 5.219 4.320 -0.000 0.000 0.295 228 A C -0.516 177.020 177.584 -0.080 0.000 1.067 228 A CA -0.161 51.850 52.037 -0.044 0.000 0.683 228 A CB 2.157 21.147 19.000 -0.017 0.000 1.281 228 A HN 0.963 nan 8.150 nan 0.000 0.407 229 T N -0.690 113.816 114.554 -0.080 0.000 2.916 229 T HA 0.927 5.277 4.350 -0.000 0.000 0.292 229 T C -0.484 174.039 174.700 -0.294 0.000 1.064 229 T CA -0.890 61.110 62.100 -0.167 0.000 1.011 229 T CB 1.654 70.463 68.868 -0.099 0.000 1.152 229 T HN 0.926 nan 8.240 nan 0.000 0.510 230 R N 0.239 120.374 120.500 -0.607 0.000 2.643 230 R HA 0.730 5.070 4.340 -0.000 0.000 0.269 230 R C -1.733 174.134 176.300 -0.721 0.000 1.037 230 R CA -0.847 54.946 56.100 -0.510 0.000 0.894 230 R CB 1.446 31.653 30.300 -0.155 0.000 1.238 230 R HN 0.574 nan 8.270 nan 0.000 0.459 231 F N -0.172 119.761 119.950 -0.028 0.000 2.629 231 F HA 0.449 4.976 4.527 -0.000 0.000 0.316 231 F C 0.161 175.814 175.800 -0.245 0.000 1.081 231 F CA -1.401 56.524 58.000 -0.125 0.000 0.954 231 F CB 0.758 39.662 39.000 -0.159 0.000 1.337 231 F HN 0.517 nan 8.300 nan 0.000 0.474 232 N N 0.039 118.718 118.700 -0.034 0.000 2.285 232 N HA 0.052 4.791 4.740 -0.000 0.000 0.262 232 N C 0.626 175.976 175.510 -0.266 0.000 1.299 232 N CA 0.055 53.038 53.050 -0.111 0.000 0.930 232 N CB -0.022 38.429 38.487 -0.059 0.000 1.157 232 N HN 0.699 nan 8.380 nan 0.000 0.532 233 D N -1.395 118.902 120.400 -0.171 0.000 2.190 233 D HA -0.242 4.398 4.640 -0.000 0.000 0.200 233 D C 0.292 176.476 176.300 -0.194 0.000 0.992 233 D CA 1.668 55.566 54.000 -0.171 0.000 0.854 233 D CB -0.483 40.277 40.800 -0.066 0.000 0.936 233 D HN 0.733 nan 8.370 nan 0.000 0.462 234 D N -1.797 118.533 120.400 -0.116 0.000 2.479 234 D HA 0.021 4.661 4.640 -0.000 0.000 0.218 234 D C 0.110 176.558 176.300 0.246 0.000 1.177 234 D CA -0.877 53.164 54.000 0.069 0.000 0.830 234 D CB -0.972 39.883 40.800 0.092 0.000 1.014 234 D HN 0.215 nan 8.370 nan 0.000 0.503 235 F N 0.267 120.250 119.950 0.056 0.000 3.018 235 F HA -0.276 4.251 4.527 -0.000 0.000 0.287 235 F C 1.450 177.297 175.800 0.078 0.000 0.813 235 F CA 0.717 58.760 58.000 0.070 0.000 1.209 235 F CB -2.562 36.394 39.000 -0.073 0.000 1.321 235 F HN 0.003 nan 8.300 nan 0.000 0.477 236 S N -0.967 114.826 115.700 0.156 0.000 2.446 236 S HA 0.098 4.568 4.470 -0.000 0.000 0.225 236 S C 0.830 175.467 174.600 0.061 0.000 1.016 236 S CA 0.494 58.752 58.200 0.096 0.000 0.943 236 S CB 0.217 63.451 63.200 0.056 0.000 0.786 236 S HN 0.327 nan 8.310 nan 0.000 0.508 237 R N 0.689 121.224 120.500 0.059 0.000 2.686 237 R HA 0.825 5.165 4.340 -0.000 0.000 0.283 237 R C -1.109 175.190 176.300 -0.002 0.000 0.978 237 R CA -0.492 55.609 56.100 0.001 0.000 0.897 237 R CB 1.762 32.047 30.300 -0.024 0.000 1.192 237 R HN 0.170 nan 8.270 nan 0.000 0.457 238 A N 1.306 124.059 122.820 -0.112 0.000 2.515 238 A HA 0.729 5.049 4.320 -0.000 0.000 0.296 238 A C -1.169 176.296 177.584 -0.199 0.000 1.094 238 A CA -0.733 51.161 52.037 -0.239 0.000 0.718 238 A CB 2.238 20.983 19.000 -0.426 0.000 1.307 238 A HN 0.334 nan 8.150 nan 0.000 0.408 239 V N 1.707 121.497 119.914 -0.207 0.000 2.407 239 V HA 0.388 4.508 4.120 -0.000 0.000 0.291 239 V C -0.918 175.141 176.094 -0.060 0.000 1.018 239 V CA -0.427 61.805 62.300 -0.113 0.000 0.842 239 V CB 1.306 33.069 31.823 -0.101 0.000 0.996 239 V HN 0.816 nan 8.190 nan 0.000 0.426 240 L N 5.325 126.555 121.223 0.012 0.000 2.278 240 L HA 0.508 4.848 4.340 -0.000 0.000 0.287 240 L C 0.066 176.913 176.870 -0.038 0.000 1.072 240 L CA 0.558 55.402 54.840 0.006 0.000 0.819 240 L CB 0.829 42.902 42.059 0.023 0.000 1.176 240 L HN 0.757 nan 8.230 nan 0.000 0.435 241 E N 4.728 124.900 120.200 -0.046 0.000 2.121 241 E HA 0.585 4.935 4.350 -0.000 0.000 0.255 241 E C -1.202 175.387 176.600 -0.017 0.000 0.906 241 E CA -0.660 55.718 56.400 -0.036 0.000 0.745 241 E CB 0.974 30.651 29.700 -0.037 0.000 1.155 241 E HN 0.844 nan 8.360 nan 0.000 0.424 242 A N 4.527 127.339 122.820 -0.014 0.000 2.290 242 A HA 0.342 4.662 4.320 -0.000 0.000 0.310 242 A C -0.355 177.226 177.584 -0.004 0.000 1.202 242 A CA -0.606 51.444 52.037 0.021 0.000 0.837 242 A CB 0.866 19.882 19.000 0.028 0.000 1.139 242 A HN 0.735 nan 8.150 nan 0.000 0.509 243 E N 2.259 122.462 120.200 0.004 0.000 2.187 243 E HA 0.600 4.949 4.350 -0.000 0.000 0.268 243 E C -1.540 175.023 176.600 -0.062 0.000 0.896 243 E CA -0.571 55.788 56.400 -0.067 0.000 0.766 243 E CB 1.594 31.218 29.700 -0.127 0.000 1.142 243 E HN 0.378 nan 8.360 nan 0.000 0.408 244 V N 3.641 123.515 119.914 -0.067 0.000 2.656 244 V HA 0.365 4.485 4.120 -0.000 0.000 0.307 244 V C -0.337 175.795 176.094 0.063 0.000 1.051 244 V CA -0.922 61.383 62.300 0.008 0.000 0.893 244 V CB 1.575 33.372 31.823 -0.044 0.000 0.999 244 V HN 0.776 nan 8.190 nan 0.000 0.426 245 Q N 3.540 123.416 119.800 0.127 0.000 2.297 245 Q HA 0.905 5.245 4.340 -0.000 0.000 0.269 245 Q C -0.781 175.342 176.000 0.206 0.000 1.051 245 Q CA -0.914 54.991 55.803 0.170 0.000 0.869 245 Q CB 2.689 31.451 28.738 0.039 0.000 1.346 245 Q HN 0.865 nan 8.270 nan 0.000 0.457 246 M N -1.513 118.137 119.600 0.083 0.000 2.575 246 M HA 0.738 5.218 4.480 -0.000 0.000 0.284 246 M C -1.543 174.679 176.300 -0.131 0.000 1.253 246 M CA -0.623 54.629 55.300 -0.080 0.000 0.861 246 M CB 2.010 34.405 32.600 -0.343 0.000 1.733 246 M HN 0.557 nan 8.290 nan 0.000 0.462 247 C N 0.708 119.925 119.300 -0.139 0.000 2.848 247 C HA 1.026 5.486 4.460 -0.000 0.000 0.317 247 C C 0.738 175.640 174.990 -0.147 0.000 1.260 247 C CA 0.829 59.775 59.018 -0.119 0.000 1.656 247 C CB 1.375 29.064 27.740 -0.085 0.000 2.174 247 C HN 1.416 nan 8.230 nan 0.000 0.479 248 G N 2.072 110.799 108.800 -0.122 0.000 2.472 248 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.205 248 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.205 248 G C -0.979 173.845 174.900 -0.127 0.000 1.270 248 G CA -0.601 44.427 45.100 -0.119 0.000 0.974 248 G HN 0.789 nan 8.290 nan 0.000 0.542 249 E N 0.371 120.502 120.200 -0.116 0.000 2.070 249 E HA 0.444 4.794 4.350 -0.000 0.000 0.282 249 E C 0.515 177.027 176.600 -0.147 0.000 1.104 249 E CA -0.237 56.102 56.400 -0.101 0.000 0.876 249 E CB 0.632 30.300 29.700 -0.052 0.000 1.055 249 E HN 0.467 nan 8.360 nan 0.000 0.401 250 L N 4.491 125.621 121.223 -0.156 0.000 2.534 250 L HA 0.101 4.441 4.340 -0.000 0.000 0.271 250 L C 0.235 177.032 176.870 -0.122 0.000 1.178 250 L CA 0.802 55.527 54.840 -0.193 0.000 0.907 250 L CB 0.163 42.124 42.059 -0.163 0.000 1.164 250 L HN 0.409 nan 8.230 nan 0.000 0.482 251 R N 2.724 123.120 120.500 -0.173 0.000 2.631 251 R HA 0.047 4.387 4.340 -0.000 0.000 0.289 251 R C 0.624 176.839 176.300 -0.143 0.000 1.303 251 R CA -0.511 55.530 56.100 -0.098 0.000 0.989 251 R CB 0.988 31.294 30.300 0.011 0.000 1.208 251 R HN 0.782 nan 8.270 nan 0.000 0.461 252 D N 2.603 123.021 120.400 0.031 0.000 3.342 252 D HA -0.320 4.320 4.640 -0.000 0.000 0.193 252 D C 0.859 177.215 176.300 0.094 0.000 1.177 252 D CA 2.129 56.172 54.000 0.073 0.000 0.941 252 D CB -0.056 40.809 40.800 0.108 0.000 0.864 252 D HN 0.702 nan 8.370 nan 0.000 0.497 253 Y N -0.301 119.996 120.300 -0.006 0.000 2.490 253 Y HA 0.440 4.990 4.550 -0.000 0.000 0.281 253 Y C 0.955 176.838 175.900 -0.028 0.000 1.174 253 Y CA -0.989 57.098 58.100 -0.022 0.000 1.295 253 Y CB -0.694 37.750 38.460 -0.025 0.000 1.062 253 Y HN -0.127 nan 8.280 nan 0.000 0.522 254 L N 2.790 123.773 121.223 -0.400 0.000 2.380 254 L HA 0.313 4.653 4.340 -0.000 0.000 0.273 254 L C 0.102 176.922 176.870 -0.084 0.000 1.138 254 L CA -0.117 54.555 54.840 -0.281 0.000 0.832 254 L CB 0.482 42.400 42.059 -0.235 0.000 1.124 254 L HN 0.139 nan 8.230 nan 0.000 0.454 255 R N 2.356 122.780 120.500 -0.127 0.000 2.888 255 R HA 0.708 5.048 4.340 -0.000 0.000 0.266 255 R C -1.311 175.038 176.300 0.082 0.000 1.020 255 R CA -0.919 55.081 56.100 -0.168 0.000 0.963 255 R CB 2.208 32.173 30.300 -0.559 0.000 1.197 255 R HN 0.254 nan 8.270 nan 0.000 0.481 256 V N 1.234 121.185 119.914 0.062 0.000 2.524 256 V HA 0.349 4.469 4.120 -0.000 0.000 0.297 256 V C -0.643 175.493 176.094 0.071 0.000 1.035 256 V CA -0.527 61.798 62.300 0.043 0.000 0.867 256 V CB 2.191 33.876 31.823 -0.231 0.000 1.004 256 V HN 0.695 nan 8.190 nan 0.000 0.426 257 T N 4.860 119.446 114.554 0.052 0.000 2.756 257 T HA 0.518 4.868 4.350 -0.000 0.000 0.290 257 T C -0.315 174.331 174.700 -0.091 0.000 0.985 257 T CA -0.300 61.782 62.100 -0.029 0.000 0.955 257 T CB 1.371 70.208 68.868 -0.052 0.000 0.930 257 T HN 0.312 nan 8.240 nan 0.000 0.451 258 V N 4.435 124.300 119.914 -0.082 0.000 2.347 258 V HA 0.488 4.608 4.120 -0.000 0.000 0.280 258 V C 0.078 176.121 176.094 -0.085 0.000 1.021 258 V CA -0.787 61.463 62.300 -0.084 0.000 0.847 258 V CB 1.219 32.993 31.823 -0.081 0.000 0.990 258 V HN 1.014 nan 8.190 nan 0.000 0.444 259 S N 5.728 121.385 115.700 -0.071 0.000 2.482 259 S HA 0.812 5.282 4.470 -0.000 0.000 0.303 259 S C -0.844 173.656 174.600 -0.166 0.000 1.091 259 S CA -0.731 57.375 58.200 -0.156 0.000 1.057 259 S CB 2.218 65.348 63.200 -0.117 0.000 1.031 259 S HN 0.446 nan 8.310 nan 0.000 0.485 260 L N 2.468 123.507 121.223 -0.307 0.000 2.313 260 L HA 0.661 5.001 4.340 -0.000 0.000 0.283 260 L C -1.785 174.903 176.870 -0.303 0.000 1.013 260 L CA -0.354 54.383 54.840 -0.171 0.000 0.816 260 L CB 0.675 42.672 42.059 -0.104 0.000 1.236 260 L HN 0.842 nan 8.230 nan 0.000 0.419 261 W N 4.084 125.459 121.300 0.125 0.000 2.656 261 W HA 0.526 5.186 4.660 -0.000 0.000 0.327 261 W C -0.478 176.186 176.519 0.242 0.000 1.041 261 W CA -0.543 56.885 57.345 0.138 0.000 1.229 261 W CB 1.525 31.020 29.460 0.058 0.000 1.397 261 W HN 0.417 nan 8.180 nan 0.000 0.479 262 Q N 3.702 123.778 119.800 0.460 0.000 2.506 262 Q HA 0.518 4.858 4.340 -0.000 0.000 0.242 262 Q C 0.740 176.859 176.000 0.198 0.000 1.060 262 Q CA 0.540 56.510 55.803 0.279 0.000 0.826 262 Q CB 0.544 29.410 28.738 0.213 0.000 1.169 262 Q HN 0.770 nan 8.270 nan 0.000 0.521 263 G N 2.987 111.875 108.800 0.147 0.000 2.536 263 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.277 263 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.277 263 G C 0.461 175.432 174.900 0.120 0.000 1.155 263 G CA 0.302 45.455 45.100 0.089 0.000 0.960 263 G HN 0.620 nan 8.290 nan 0.000 0.544 264 E N 0.947 121.219 120.200 0.121 0.000 2.472 264 E HA 0.147 4.497 4.350 -0.000 0.000 0.196 264 E C 0.422 177.224 176.600 0.337 0.000 1.033 264 E CA 0.581 57.050 56.400 0.116 0.000 0.886 264 E CB 0.282 30.011 29.700 0.048 0.000 0.944 264 E HN 0.405 nan 8.360 nan 0.000 0.492 265 T N 1.855 116.625 114.554 0.360 0.000 2.780 265 T HA 0.085 4.435 4.350 -0.000 0.000 0.294 265 T C 0.028 174.904 174.700 0.294 0.000 0.949 265 T CA -0.170 62.123 62.100 0.321 0.000 1.074 265 T CB 1.418 70.389 68.868 0.172 0.000 0.910 265 T HN 0.065 nan 8.240 nan 0.000 0.501 266 Q N 2.974 122.706 119.800 -0.113 0.000 2.304 266 Q HA 0.265 4.605 4.340 -0.000 0.000 0.260 266 Q C -0.018 175.742 176.000 -0.400 0.000 0.965 266 Q CA -0.375 54.850 55.803 -0.963 0.000 0.898 266 Q CB 0.728 28.658 28.738 -1.346 0.000 1.196 266 Q HN 0.510 nan 8.270 nan 0.000 0.402 267 V N 2.677 122.382 119.914 -0.348 0.000 3.212 267 V HA 0.381 4.501 4.120 -0.000 0.000 0.244 267 V C 0.134 176.122 176.094 -0.177 0.000 1.151 267 V CA 0.938 63.148 62.300 -0.151 0.000 1.119 267 V CB 0.699 32.527 31.823 0.009 0.000 0.838 267 V HN 0.819 nan 8.190 nan 0.000 0.470 268 A N -0.927 121.746 122.820 -0.246 0.000 2.604 268 A HA 0.803 5.123 4.320 -0.000 0.000 0.295 268 A C -0.837 176.607 177.584 -0.233 0.000 1.067 268 A CA -0.135 51.785 52.037 -0.196 0.000 0.683 268 A CB 2.054 20.969 19.000 -0.142 0.000 1.281 268 A HN 0.061 nan 8.150 nan 0.000 0.407 269 S N -0.405 115.193 115.700 -0.170 0.000 2.543 269 S HA 0.755 5.225 4.470 -0.000 0.000 0.271 269 S C -0.501 174.040 174.600 -0.098 0.000 1.148 269 S CA 0.222 58.333 58.200 -0.149 0.000 0.914 269 S CB 1.529 64.637 63.200 -0.154 0.000 1.096 269 S HN 2.130 nan 8.310 nan 0.000 0.471 270 G N 2.020 110.771 108.800 -0.082 0.000 2.617 270 G HA2 0.629 4.589 3.960 -0.000 0.000 0.306 270 G HA3 0.629 4.589 3.960 -0.000 0.000 0.306 270 G C -1.265 173.606 174.900 -0.048 0.000 1.360 270 G CA -0.492 44.569 45.100 -0.065 0.000 0.983 270 G HN 0.669 nan 8.290 nan 0.000 0.496 271 T N 0.468 115.001 114.554 -0.035 0.000 2.881 271 T HA 0.777 5.127 4.350 -0.000 0.000 0.291 271 T C -0.020 174.654 174.700 -0.043 0.000 0.990 271 T CA -0.097 61.993 62.100 -0.015 0.000 0.976 271 T CB 1.621 70.509 68.868 0.032 0.000 0.970 271 T HN 1.154 nan 8.240 nan 0.000 0.438 272 A N 4.538 127.316 122.820 -0.070 0.000 2.552 272 A HA 1.073 5.393 4.320 -0.000 0.000 0.288 272 A C -3.061 174.448 177.584 -0.124 0.000 1.193 272 A CA -1.746 50.234 52.037 -0.095 0.000 0.713 272 A CB 1.585 20.517 19.000 -0.114 0.000 1.305 272 A HN 0.545 nan 8.150 nan 0.000 0.424 273 P HA 0.632 nan 4.420 nan 0.000 0.295 273 P C -1.161 176.079 177.300 -0.100 0.000 1.311 273 P CA -0.702 62.352 63.100 -0.075 0.000 1.050 273 P CB 0.860 32.556 31.700 -0.008 0.000 1.488 274 F N 0.527 120.451 119.950 -0.042 0.000 2.553 274 F HA 0.464 4.991 4.527 -0.000 0.000 0.356 274 F C 1.474 177.266 175.800 -0.013 0.000 1.142 274 F CA 1.895 59.878 58.000 -0.028 0.000 1.322 274 F CB 0.044 39.023 39.000 -0.036 0.000 1.126 274 F HN 0.551 nan 8.300 nan 0.000 0.599 275 G N 1.369 110.292 108.800 0.205 0.000 2.621 275 G HA2 0.417 4.377 3.960 -0.000 0.000 0.355 275 G HA3 0.417 4.377 3.960 -0.000 0.000 0.355 275 G C -1.062 173.888 174.900 0.083 0.000 1.509 275 G CA -0.668 44.508 45.100 0.127 0.000 1.000 275 G HN 0.989 nan 8.290 nan 0.000 0.646 276 G N 1.133 109.996 108.800 0.106 0.000 2.416 276 G HA2 0.687 4.647 3.960 -0.000 0.000 0.324 276 G HA3 0.687 4.647 3.960 -0.000 0.000 0.324 276 G C 0.179 175.114 174.900 0.059 0.000 1.194 276 G CA -0.542 44.616 45.100 0.095 0.000 0.922 276 G HN 0.808 nan 8.290 nan 0.000 0.467 277 E N 0.738 120.960 120.200 0.037 0.000 2.636 277 E HA -0.171 4.179 4.350 -0.000 0.000 0.278 277 E C -0.094 176.514 176.600 0.014 0.000 1.064 277 E CA 0.319 56.730 56.400 0.019 0.000 1.011 277 E CB 0.759 30.468 29.700 0.015 0.000 1.029 277 E HN 0.214 nan 8.360 nan 0.000 0.463 278 I N 2.380 122.949 120.570 -0.002 0.000 2.668 278 I HA -0.135 4.035 4.170 -0.000 0.000 0.285 278 I C 1.434 177.544 176.117 -0.012 0.000 1.168 278 I CA 0.731 62.022 61.300 -0.016 0.000 1.424 278 I CB 0.149 38.138 38.000 -0.019 0.000 1.377 278 I HN 0.517 nan 8.210 nan 0.000 0.560 279 I N 2.056 122.608 120.570 -0.029 0.000 3.718 279 I HA 0.274 4.444 4.170 -0.000 0.000 0.297 279 I C -0.042 176.062 176.117 -0.023 0.000 1.220 279 I CA 0.306 61.598 61.300 -0.013 0.000 1.381 279 I CB 0.370 38.380 38.000 0.017 0.000 1.238 279 I HN 0.558 nan 8.210 nan 0.000 0.448 280 D N 0.408 120.781 120.400 -0.045 0.000 2.898 280 D HA 0.231 4.871 4.640 -0.000 0.000 0.266 280 D C 0.618 176.897 176.300 -0.036 0.000 1.173 280 D CA -0.389 53.590 54.000 -0.035 0.000 1.078 280 D CB 0.478 41.258 40.800 -0.034 0.000 1.326 280 D HN -0.143 nan 8.370 nan 0.000 0.622 281 E N -0.932 119.249 120.200 -0.031 0.000 2.150 281 E HA -0.002 4.348 4.350 -0.000 0.000 0.193 281 E C 1.460 178.039 176.600 -0.036 0.000 0.985 281 E CA 0.990 57.373 56.400 -0.028 0.000 0.814 281 E CB -0.009 29.677 29.700 -0.022 0.000 0.752 281 E HN 0.254 nan 8.360 nan 0.000 0.466 282 R N -0.031 120.440 120.500 -0.049 0.000 2.334 282 R HA 0.306 4.646 4.340 -0.000 0.000 0.220 282 R C 0.630 176.882 176.300 -0.080 0.000 0.917 282 R CA 0.584 56.648 56.100 -0.059 0.000 1.073 282 R CB 0.551 30.813 30.300 -0.062 0.000 1.056 282 R HN 0.168 nan 8.270 nan 0.000 0.506 283 G N -0.210 108.542 108.800 -0.081 0.000 2.447 283 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.220 283 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.220 283 G C -0.300 174.516 174.900 -0.140 0.000 1.261 283 G CA -0.703 44.341 45.100 -0.093 0.000 1.000 283 G HN 0.381 nan 8.290 nan 0.000 0.515 284 G N -1.931 106.786 108.800 -0.139 0.000 2.887 284 G HA2 0.680 4.640 3.960 -0.000 0.000 0.277 284 G HA3 0.680 4.640 3.960 -0.000 0.000 0.277 284 G C -1.265 173.478 174.900 -0.262 0.000 1.346 284 G CA -0.816 44.187 45.100 -0.162 0.000 1.058 284 G HN 0.743 nan 8.290 nan 0.000 0.535 285 Y N 0.025 120.339 120.300 0.022 0.000 2.327 285 Y HA 0.448 4.998 4.550 -0.000 0.000 0.336 285 Y C 1.253 177.186 175.900 0.055 0.000 1.035 285 Y CA 0.142 58.263 58.100 0.034 0.000 1.165 285 Y CB 2.036 40.521 38.460 0.041 0.000 1.181 285 Y HN 0.502 nan 8.280 nan 0.000 0.494 286 A N 1.497 124.406 122.820 0.148 0.000 2.081 286 A HA -0.046 4.274 4.320 -0.000 0.000 0.214 286 A C 1.146 178.819 177.584 0.149 0.000 1.158 286 A CA 0.833 52.941 52.037 0.118 0.000 0.724 286 A CB -0.154 18.869 19.000 0.039 0.000 0.826 286 A HN 0.789 nan 8.150 nan 0.000 0.463 287 D N -0.823 119.663 120.400 0.144 0.000 2.358 287 D HA 0.175 4.815 4.640 -0.000 0.000 0.224 287 D C 0.535 177.047 176.300 0.353 0.000 1.123 287 D CA 0.002 54.001 54.000 -0.002 0.000 0.833 287 D CB 0.061 40.824 40.800 -0.061 0.000 0.946 287 D HN 0.291 nan 8.370 nan 0.000 0.505 288 R N -0.805 120.010 120.500 0.526 0.000 2.888 288 R HA 0.755 5.095 4.340 -0.000 0.000 0.264 288 R C -1.776 174.623 176.300 0.164 0.000 1.045 288 R CA -1.112 55.204 56.100 0.360 0.000 0.962 288 R CB 2.969 33.356 30.300 0.146 0.000 1.210 288 R HN -0.030 nan 8.270 nan 0.000 0.479 289 V N 0.292 120.164 119.914 -0.069 0.000 3.036 289 V HA 0.309 4.429 4.120 -0.000 0.000 0.288 289 V C -1.638 174.366 176.094 -0.150 0.000 1.407 289 V CA -0.342 61.851 62.300 -0.177 0.000 0.983 289 V CB 2.609 34.165 31.823 -0.445 0.000 1.128 289 V HN 0.777 nan 8.190 nan 0.000 0.439 290 T N 7.420 121.913 114.554 -0.102 0.000 2.821 290 T HA 0.617 4.967 4.350 -0.000 0.000 0.307 290 T C -0.515 174.136 174.700 -0.081 0.000 1.034 290 T CA -0.168 61.884 62.100 -0.080 0.000 0.953 290 T CB 0.627 69.467 68.868 -0.047 0.000 0.968 290 T HN 0.418 nan 8.240 nan 0.000 0.462 291 L N 3.318 124.490 121.223 -0.086 0.000 2.399 291 L HA 0.555 4.895 4.340 -0.000 0.000 0.266 291 L C 0.858 177.692 176.870 -0.059 0.000 1.114 291 L CA -0.167 54.627 54.840 -0.077 0.000 0.804 291 L CB 0.481 42.490 42.059 -0.083 0.000 1.146 291 L HN 0.367 nan 8.230 nan 0.000 0.451 292 R N 2.653 123.119 120.500 -0.057 0.000 2.473 292 R HA 0.553 4.893 4.340 -0.000 0.000 0.303 292 R C -1.434 174.833 176.300 -0.056 0.000 1.002 292 R CA -0.575 55.494 56.100 -0.052 0.000 0.884 292 R CB 1.215 31.486 30.300 -0.048 0.000 1.173 292 R HN 0.484 nan 8.270 nan 0.000 0.464 293 L N 2.642 123.833 121.223 -0.054 0.000 2.322 293 L HA 0.439 4.779 4.340 -0.000 0.000 0.279 293 L C -0.168 176.666 176.870 -0.060 0.000 1.036 293 L CA -1.017 53.788 54.840 -0.059 0.000 0.807 293 L CB 1.408 43.432 42.059 -0.059 0.000 1.226 293 L HN 0.415 nan 8.230 nan 0.000 0.433 294 N N 2.019 120.676 118.700 -0.072 0.000 2.444 294 N HA 0.409 5.149 4.740 -0.000 0.000 0.262 294 N C -0.896 174.552 175.510 -0.104 0.000 0.974 294 N CA -0.262 52.739 53.050 -0.082 0.000 0.933 294 N CB 2.180 40.624 38.487 -0.071 0.000 1.137 294 N HN 0.178 nan 8.380 nan 0.000 0.498 295 V N 1.350 121.177 119.914 -0.145 0.000 2.417 295 V HA 0.346 4.466 4.120 -0.000 0.000 0.291 295 V C 0.318 176.307 176.094 -0.174 0.000 1.024 295 V CA -0.827 61.352 62.300 -0.203 0.000 0.861 295 V CB 2.046 33.652 31.823 -0.362 0.000 0.985 295 V HN 0.462 nan 8.190 nan 0.000 0.436 296 E N 4.067 124.196 120.200 -0.119 0.000 2.134 296 E HA 0.308 4.658 4.350 -0.000 0.000 0.278 296 E C -0.375 176.195 176.600 -0.051 0.000 0.959 296 E CA -0.270 56.088 56.400 -0.070 0.000 0.783 296 E CB 0.699 30.372 29.700 -0.043 0.000 1.095 296 E HN 0.732 nan 8.360 nan 0.000 0.399 297 N N 2.152 120.836 118.700 -0.026 0.000 2.756 297 N HA -0.107 4.633 4.740 -0.000 0.000 0.248 297 N C -2.528 172.985 175.510 0.005 0.000 1.062 297 N CA 0.233 53.288 53.050 0.009 0.000 0.696 297 N CB -1.377 37.123 38.487 0.022 0.000 0.946 297 N HN 0.381 nan 8.380 nan 0.000 0.548 298 P HA 0.013 nan 4.420 nan 0.000 0.266 298 P C 0.262 177.620 177.300 0.096 0.000 1.193 298 P CA 0.527 63.545 63.100 -0.137 0.000 0.770 298 P CB 0.642 32.030 31.700 -0.521 0.000 0.836 299 K N 2.452 123.028 120.400 0.293 0.000 2.312 299 K HA 0.277 4.597 4.320 -0.000 0.000 0.287 299 K C 0.209 176.977 176.600 0.281 0.000 1.062 299 K CA -0.479 55.926 56.287 0.197 0.000 0.934 299 K CB 0.343 32.898 32.500 0.092 0.000 1.027 299 K HN 0.405 nan 8.250 nan 0.000 0.478 300 L N 2.374 123.680 121.223 0.138 0.000 2.453 300 L HA 0.226 4.566 4.340 -0.000 0.000 0.261 300 L C -0.007 176.948 176.870 0.142 0.000 1.179 300 L CA -0.343 54.572 54.840 0.126 0.000 0.813 300 L CB 0.383 42.361 42.059 -0.135 0.000 1.110 300 L HN 0.674 nan 8.230 nan 0.000 0.466 301 W N 2.380 123.671 121.300 -0.015 0.000 2.478 301 W HA 0.457 5.117 4.660 -0.000 0.000 0.318 301 W C -0.339 176.096 176.519 -0.140 0.000 1.062 301 W CA -0.140 57.184 57.345 -0.036 0.000 1.210 301 W CB 1.489 30.981 29.460 0.053 0.000 1.325 301 W HN 0.582 nan 8.180 nan 0.000 0.496 302 S N 3.173 118.384 115.700 -0.815 0.000 2.596 302 S HA 0.640 5.110 4.470 -0.000 0.000 0.270 302 S C 0.130 174.009 174.600 -1.201 0.000 1.155 302 S CA -0.367 57.367 58.200 -0.776 0.000 0.827 302 S CB 1.340 64.246 63.200 -0.490 0.000 1.130 302 S HN 0.953 nan 8.310 nan 0.000 0.467 303 A N 0.718 122.973 122.820 -0.943 0.000 2.015 303 A HA 0.006 4.325 4.320 -0.000 0.000 0.219 303 A C 1.754 178.996 177.584 -0.570 0.000 1.163 303 A CA 1.493 52.975 52.037 -0.926 0.000 0.646 303 A CB -0.922 17.415 19.000 -1.106 0.000 0.806 303 A HN 0.902 nan 8.150 nan 0.000 0.448 304 E N -0.554 119.430 120.200 -0.361 0.000 2.047 304 E HA 0.018 4.367 4.350 -0.000 0.000 0.191 304 E C -0.126 176.299 176.600 -0.292 0.000 0.987 304 E CA 0.747 56.988 56.400 -0.265 0.000 0.799 304 E CB -0.071 29.580 29.700 -0.083 0.000 0.752 304 E HN 0.613 nan 8.360 nan 0.000 0.449 305 I N 1.666 122.037 120.570 -0.333 0.000 2.493 305 I HA 0.184 4.354 4.170 -0.000 0.000 0.279 305 I C -2.557 173.297 176.117 -0.439 0.000 1.045 305 I CA -2.134 58.991 61.300 -0.291 0.000 1.106 305 I CB 2.199 40.087 38.000 -0.188 0.000 1.216 305 I HN -0.245 nan 8.210 nan 0.000 0.459 306 P HA 0.123 nan 4.420 nan 0.000 0.218 306 P C -0.545 176.704 177.300 -0.085 0.000 1.793 306 P CA -0.329 62.432 63.100 -0.565 0.000 0.941 306 P CB -0.267 31.269 31.700 -0.273 0.000 1.919 307 N N 1.593 120.275 118.700 -0.030 0.000 2.411 307 N HA 0.049 4.789 4.740 -0.000 0.000 0.265 307 N C -0.025 175.609 175.510 0.206 0.000 1.266 307 N CA 0.669 53.754 53.050 0.058 0.000 0.889 307 N CB 0.654 39.168 38.487 0.044 0.000 1.069 307 N HN 0.263 nan 8.380 nan 0.000 0.476 308 L N 2.525 123.790 121.223 0.071 0.000 2.323 308 L HA 0.504 4.844 4.340 -0.000 0.000 0.265 308 L C -0.905 175.947 176.870 -0.030 0.000 1.012 308 L CA -0.863 54.046 54.840 0.114 0.000 0.820 308 L CB 1.310 43.443 42.059 0.123 0.000 1.334 308 L HN 0.422 nan 8.230 nan 0.000 0.427 309 Y N 0.200 120.580 120.300 0.135 0.000 2.545 309 Y HA 0.501 5.051 4.550 -0.000 0.000 0.348 309 Y C -0.303 175.661 175.900 0.107 0.000 1.002 309 Y CA -0.732 57.455 58.100 0.145 0.000 1.039 309 Y CB 2.217 40.789 38.460 0.186 0.000 1.271 309 Y HN 0.389 nan 8.280 nan 0.000 0.467 310 R N 1.580 122.278 120.500 0.330 0.000 2.338 310 R HA 0.836 5.176 4.340 -0.000 0.000 0.317 310 R C -1.356 175.111 176.300 0.278 0.000 0.968 310 R CA -0.539 55.706 56.100 0.241 0.000 0.849 310 R CB 0.872 31.259 30.300 0.144 0.000 1.128 310 R HN 0.773 nan 8.270 nan 0.000 0.448 311 A N 4.025 126.952 122.820 0.178 0.000 2.318 311 A HA 0.542 4.862 4.320 -0.000 0.000 0.317 311 A C -1.075 176.575 177.584 0.110 0.000 1.159 311 A CA -0.638 51.483 52.037 0.141 0.000 0.799 311 A CB 1.438 20.485 19.000 0.079 0.000 1.194 311 A HN 0.485 nan 8.150 nan 0.000 0.479 312 V N 3.121 123.107 119.914 0.120 0.000 2.417 312 V HA 0.359 4.479 4.120 -0.000 0.000 0.291 312 V C -0.252 175.809 176.094 -0.055 0.000 1.024 312 V CA -0.544 61.775 62.300 0.032 0.000 0.861 312 V CB 1.605 33.489 31.823 0.101 0.000 0.985 312 V HN 0.594 nan 8.190 nan 0.000 0.436 313 V N 4.726 124.551 119.914 -0.149 0.000 2.270 313 V HA 0.308 4.428 4.120 -0.000 0.000 0.263 313 V C 0.256 176.240 176.094 -0.183 0.000 1.066 313 V CA -0.507 61.661 62.300 -0.220 0.000 0.857 313 V CB 0.472 32.025 31.823 -0.450 0.000 1.099 313 V HN 0.909 nan 8.190 nan 0.000 0.476 314 E N 3.458 123.553 120.200 -0.176 0.000 2.259 314 E HA 0.424 4.774 4.350 -0.000 0.000 0.281 314 E C -0.630 175.853 176.600 -0.195 0.000 1.027 314 E CA -0.623 55.643 56.400 -0.224 0.000 0.838 314 E CB 1.989 31.457 29.700 -0.386 0.000 1.066 314 E HN 0.485 nan 8.360 nan 0.000 0.401 315 L N 5.661 126.826 121.223 -0.097 0.000 2.280 315 L HA 0.335 4.675 4.340 -0.000 0.000 0.287 315 L C -0.915 176.045 176.870 0.151 0.000 1.023 315 L CA -0.106 54.769 54.840 0.059 0.000 0.819 315 L CB 0.219 42.295 42.059 0.029 0.000 1.212 315 L HN 0.599 nan 8.230 nan 0.000 0.420 316 H N 0.987 120.051 119.070 -0.010 0.000 3.015 316 H HA 0.659 5.215 4.556 -0.000 0.000 0.282 316 H C -0.922 174.403 175.328 -0.006 0.000 1.508 316 H CA -0.573 55.473 56.048 -0.002 0.000 1.209 316 H CB 0.296 30.064 29.762 0.011 0.000 1.869 316 H HN 0.450 nan 8.280 nan 0.000 0.591 317 T N -2.771 111.802 114.554 0.032 0.000 2.907 317 T HA 0.610 4.960 4.350 -0.000 0.000 0.284 317 T C 1.282 175.903 174.700 -0.131 0.000 1.004 317 T CA -0.254 61.842 62.100 -0.005 0.000 1.063 317 T CB 1.581 70.560 68.868 0.184 0.000 0.992 317 T HN 0.838 nan 8.240 nan 0.000 0.483 318 A N 1.796 124.576 122.820 -0.066 0.000 2.019 318 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 318 A C 1.903 179.474 177.584 -0.021 0.000 1.164 318 A CA 1.856 53.841 52.037 -0.088 0.000 0.644 318 A CB -1.138 17.848 19.000 -0.023 0.000 0.805 318 A HN 1.039 nan 8.150 nan 0.000 0.449 319 D N -2.035 118.383 120.400 0.031 0.000 2.178 319 D HA 0.164 4.804 4.640 -0.000 0.000 0.201 319 D C 1.320 177.651 176.300 0.052 0.000 0.980 319 D CA 1.855 55.879 54.000 0.039 0.000 0.842 319 D CB -0.407 40.419 40.800 0.044 0.000 0.948 319 D HN 0.834 nan 8.370 nan 0.000 0.472 320 G N -1.725 107.120 108.800 0.076 0.000 2.229 320 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.189 320 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.189 320 G C 0.346 175.341 174.900 0.159 0.000 1.000 320 G CA 0.061 45.247 45.100 0.143 0.000 0.663 320 G HN 0.441 nan 8.290 nan 0.000 0.493 321 T N 1.954 116.584 114.554 0.127 0.000 2.867 321 T HA 0.364 4.713 4.350 -0.000 0.000 0.297 321 T C 0.554 175.343 174.700 0.149 0.000 0.989 321 T CA 0.193 62.363 62.100 0.116 0.000 1.159 321 T CB 1.179 70.106 68.868 0.098 0.000 0.928 321 T HN 0.412 nan 8.240 nan 0.000 0.538 322 L N 4.994 126.279 121.223 0.104 0.000 2.313 322 L HA 0.275 4.615 4.340 -0.000 0.000 0.282 322 L C 0.846 177.753 176.870 0.060 0.000 1.092 322 L CA -0.437 54.449 54.840 0.076 0.000 0.831 322 L CB 0.460 42.531 42.059 0.020 0.000 1.159 322 L HN 0.687 nan 8.230 nan 0.000 0.442 323 I N 3.474 124.079 120.570 0.059 0.000 2.206 323 I HA 0.038 4.208 4.170 -0.000 0.000 0.239 323 I C 0.792 176.903 176.117 -0.010 0.000 1.078 323 I CA 1.060 62.373 61.300 0.021 0.000 1.367 323 I CB 0.139 38.144 38.000 0.008 0.000 1.078 323 I HN 0.651 nan 8.210 nan 0.000 0.413 324 E N -0.990 119.195 120.200 -0.025 0.000 2.430 324 E HA 0.690 5.040 4.350 -0.000 0.000 0.279 324 E C -1.835 174.746 176.600 -0.031 0.000 1.003 324 E CA -0.892 55.484 56.400 -0.039 0.000 0.801 324 E CB 2.087 31.726 29.700 -0.102 0.000 1.313 324 E HN 0.096 nan 8.360 nan 0.000 0.459 325 A N 2.230 125.068 122.820 0.030 0.000 2.414 325 A HA 0.735 5.055 4.320 -0.000 0.000 0.306 325 A C -1.210 176.479 177.584 0.175 0.000 1.054 325 A CA -0.611 51.461 52.037 0.058 0.000 0.724 325 A CB 1.754 20.802 19.000 0.079 0.000 1.267 325 A HN 0.447 nan 8.150 nan 0.000 0.418 326 E N -0.356 119.884 120.200 0.067 0.000 2.367 326 E HA 0.765 5.115 4.350 -0.000 0.000 0.273 326 E C -0.678 175.970 176.600 0.079 0.000 0.903 326 E CA -0.478 56.032 56.400 0.184 0.000 0.764 326 E CB 2.481 32.182 29.700 0.003 0.000 1.252 326 E HN 1.057 nan 8.360 nan 0.000 0.446 327 A N 0.271 123.271 122.820 0.301 0.000 2.564 327 A HA 0.893 5.212 4.320 -0.000 0.000 0.288 327 A C -1.049 176.734 177.584 0.331 0.000 1.164 327 A CA -0.359 51.782 52.037 0.175 0.000 0.712 327 A CB 1.254 20.210 19.000 -0.074 0.000 1.303 327 A HN 0.944 nan 8.150 nan 0.000 0.418 328 C N -0.469 118.960 119.300 0.216 0.000 3.289 328 C HA 0.645 5.105 4.460 -0.000 0.000 0.354 328 C C -1.874 173.183 174.990 0.110 0.000 1.201 328 C CA -0.998 58.131 59.018 0.185 0.000 1.199 328 C CB 0.779 28.651 27.740 0.219 0.000 1.511 328 C HN 0.853 nan 8.230 nan 0.000 0.506 329 D N 1.648 122.092 120.400 0.074 0.000 2.210 329 D HA 0.538 5.178 4.640 -0.000 0.000 0.249 329 D C -0.418 175.888 176.300 0.009 0.000 1.078 329 D CA -0.030 54.010 54.000 0.065 0.000 0.875 329 D CB 2.285 43.130 40.800 0.075 0.000 1.175 329 D HN 0.525 nan 8.370 nan 0.000 0.440 330 V N 0.921 120.843 119.914 0.014 0.000 2.628 330 V HA 0.680 4.800 4.120 -0.000 0.000 0.306 330 V C 0.503 176.547 176.094 -0.083 0.000 1.045 330 V CA -0.671 61.571 62.300 -0.097 0.000 0.905 330 V CB 2.130 33.865 31.823 -0.147 0.000 0.997 330 V HN 0.707 nan 8.190 nan 0.000 0.436 331 G N 2.235 110.905 108.800 -0.216 0.000 2.590 331 G HA2 0.656 4.616 3.960 -0.000 0.000 0.310 331 G HA3 0.656 4.616 3.960 -0.000 0.000 0.310 331 G C -1.356 173.505 174.900 -0.065 0.000 1.347 331 G CA -0.435 44.606 45.100 -0.098 0.000 0.963 331 G HN 0.388 nan 8.290 nan 0.000 0.494 332 F N 1.940 122.068 119.950 0.298 0.000 2.390 332 F HA 0.582 5.109 4.527 -0.000 0.000 0.361 332 F C 0.984 177.010 175.800 0.376 0.000 1.124 332 F CA -0.307 57.921 58.000 0.381 0.000 1.149 332 F CB 1.142 40.424 39.000 0.471 0.000 1.160 332 F HN 0.511 nan 8.300 nan 0.000 0.501 333 R N 0.974 121.795 120.500 0.535 0.000 2.716 333 R HA 0.557 4.897 4.340 -0.000 0.000 0.271 333 R C -1.682 174.807 176.300 0.315 0.000 1.028 333 R CA -1.180 55.083 56.100 0.272 0.000 0.883 333 R CB 1.766 32.225 30.300 0.266 0.000 1.250 333 R HN 0.425 nan 8.270 nan 0.000 0.465 334 E N 1.529 121.809 120.200 0.133 0.000 2.244 334 E HA 0.370 4.720 4.350 -0.000 0.000 0.260 334 E C -1.302 175.376 176.600 0.129 0.000 0.884 334 E CA -0.848 55.688 56.400 0.227 0.000 0.777 334 E CB 2.162 32.037 29.700 0.292 0.000 1.197 334 E HN 0.427 nan 8.360 nan 0.000 0.416 335 V N 4.561 124.544 119.914 0.114 0.000 2.427 335 V HA 0.615 4.735 4.120 -0.000 0.000 0.286 335 V C 0.088 176.225 176.094 0.073 0.000 1.034 335 V CA -0.556 61.782 62.300 0.064 0.000 0.893 335 V CB 1.431 33.270 31.823 0.027 0.000 0.982 335 V HN 0.652 nan 8.190 nan 0.000 0.452 336 R N 3.144 123.679 120.500 0.058 0.000 2.594 336 R HA 0.601 4.941 4.340 -0.000 0.000 0.265 336 R C -1.657 174.668 176.300 0.042 0.000 1.070 336 R CA -0.668 55.468 56.100 0.061 0.000 0.909 336 R CB 2.226 32.574 30.300 0.080 0.000 1.243 336 R HN 0.677 nan 8.270 nan 0.000 0.455 337 I N 1.981 122.576 120.570 0.041 0.000 2.336 337 I HA 0.271 4.441 4.170 -0.000 0.000 0.292 337 I C -0.307 175.829 176.117 0.032 0.000 0.991 337 I CA -0.070 61.247 61.300 0.029 0.000 1.227 337 I CB 1.636 39.652 38.000 0.028 0.000 1.366 337 I HN 0.553 nan 8.210 nan 0.000 0.466 338 E N 6.901 127.116 120.200 0.025 0.000 2.409 338 E HA 0.214 4.564 4.350 -0.000 0.000 0.259 338 E C -0.384 176.225 176.600 0.016 0.000 0.932 338 E CA -0.387 56.029 56.400 0.026 0.000 0.809 338 E CB 0.533 30.253 29.700 0.034 0.000 1.341 338 E HN 0.594 nan 8.360 nan 0.000 0.405 339 N N 3.555 122.264 118.700 0.014 0.000 2.862 339 N HA -0.179 4.561 4.740 -0.000 0.000 0.248 339 N C 0.449 175.960 175.510 0.002 0.000 1.116 339 N CA 2.045 55.100 53.050 0.008 0.000 0.727 339 N CB -1.231 37.261 38.487 0.008 0.000 1.083 339 N HN 1.003 nan 8.380 nan 0.000 0.555 340 G N -2.020 106.780 108.800 -0.000 0.000 2.254 340 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.225 340 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.225 340 G C -0.031 174.857 174.900 -0.020 0.000 1.003 340 G CA 0.278 45.372 45.100 -0.009 0.000 0.622 340 G HN 0.410 nan 8.290 nan 0.000 0.507 341 L N 0.690 121.903 121.223 -0.016 0.000 2.344 341 L HA 0.803 5.142 4.340 -0.000 0.000 0.272 341 L C 0.072 176.930 176.870 -0.020 0.000 1.035 341 L CA -1.260 53.564 54.840 -0.026 0.000 0.807 341 L CB 1.685 43.730 42.059 -0.024 0.000 1.237 341 L HN 0.173 nan 8.230 nan 0.000 0.442 342 L N 3.481 124.682 121.223 -0.036 0.000 2.265 342 L HA 0.538 4.878 4.340 -0.000 0.000 0.289 342 L C -0.777 176.076 176.870 -0.029 0.000 1.033 342 L CA 0.105 54.926 54.840 -0.031 0.000 0.814 342 L CB 0.707 42.734 42.059 -0.054 0.000 1.203 342 L HN 0.370 nan 8.230 nan 0.000 0.423 343 L N 4.993 126.216 121.223 -0.001 0.000 2.332 343 L HA 0.688 5.027 4.340 -0.000 0.000 0.269 343 L C -0.859 176.024 176.870 0.022 0.000 1.016 343 L CA -0.981 53.869 54.840 0.018 0.000 0.809 343 L CB 1.774 43.862 42.059 0.049 0.000 1.280 343 L HN 0.613 nan 8.230 nan 0.000 0.447 344 L N 1.803 123.056 121.223 0.050 0.000 2.476 344 L HA 0.454 4.794 4.340 -0.000 0.000 0.269 344 L C -0.684 176.225 176.870 0.064 0.000 0.965 344 L CA -0.143 54.727 54.840 0.049 0.000 0.845 344 L CB 1.324 43.400 42.059 0.028 0.000 1.259 344 L HN 0.657 nan 8.230 nan 0.000 0.403 345 N N 3.693 122.321 118.700 -0.120 0.000 2.708 345 N HA -0.220 4.520 4.740 -0.000 0.000 0.249 345 N C 0.914 176.268 175.510 -0.260 0.000 1.097 345 N CA 1.631 54.388 53.050 -0.488 0.000 0.710 345 N CB -1.322 36.740 38.487 -0.709 0.000 1.032 345 N HN 1.201 nan 8.380 nan 0.000 0.551 346 G N -2.055 106.788 108.800 0.073 0.000 2.205 346 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.261 346 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.261 346 G C -0.108 174.848 174.900 0.093 0.000 0.980 346 G CA 0.825 46.025 45.100 0.165 0.000 0.632 346 G HN 0.498 nan 8.290 nan 0.000 0.533 347 K N 0.800 121.247 120.400 0.078 0.000 2.207 347 K HA 0.505 4.825 4.320 -0.000 0.000 0.255 347 K C -2.977 173.615 176.600 -0.013 0.000 0.941 347 K CA -2.093 54.194 56.287 -0.000 0.000 0.825 347 K CB 2.468 34.899 32.500 -0.115 0.000 1.119 347 K HN -0.042 nan 8.250 nan 0.000 0.430 348 P HA 0.110 nan 4.420 nan 0.000 0.271 348 P C -0.278 176.979 177.300 -0.071 0.000 1.226 348 P CA -0.004 63.065 63.100 -0.053 0.000 0.765 348 P CB 0.461 32.127 31.700 -0.056 0.000 0.835 349 L N 3.530 124.709 121.223 -0.074 0.000 2.399 349 L HA 0.387 4.727 4.340 -0.000 0.000 0.266 349 L C 0.126 176.938 176.870 -0.097 0.000 1.114 349 L CA -0.823 53.970 54.840 -0.079 0.000 0.804 349 L CB 0.981 42.960 42.059 -0.133 0.000 1.146 349 L HN 0.242 nan 8.230 nan 0.000 0.451 350 L N 4.419 125.605 121.223 -0.063 0.000 2.377 350 L HA 0.414 4.754 4.340 -0.000 0.000 0.270 350 L C -0.501 176.340 176.870 -0.047 0.000 0.991 350 L CA -0.219 54.564 54.840 -0.094 0.000 0.851 350 L CB 1.060 43.096 42.059 -0.038 0.000 1.218 350 L HN 0.249 nan 8.230 nan 0.000 0.420 351 I N 5.161 125.624 120.570 -0.178 0.000 2.322 351 I HA 0.239 4.409 4.170 -0.000 0.000 0.292 351 I C 0.613 176.671 176.117 -0.097 0.000 1.060 351 I CA 0.015 61.222 61.300 -0.155 0.000 1.309 351 I CB 0.549 38.370 38.000 -0.298 0.000 1.415 351 I HN 0.541 nan 8.210 nan 0.000 0.492 352 R N 4.634 125.191 120.500 0.095 0.000 3.570 352 R HA 0.433 4.773 4.340 -0.000 0.000 0.233 352 R C 0.551 176.973 176.300 0.204 0.000 1.492 352 R CA -0.230 55.985 56.100 0.192 0.000 1.504 352 R CB 0.548 30.836 30.300 -0.020 0.000 1.314 352 R HN 0.778 nan 8.270 nan 0.000 0.687 353 G N -0.289 108.558 108.800 0.078 0.000 2.685 353 G HA2 0.541 4.501 3.960 -0.000 0.000 0.298 353 G HA3 0.541 4.501 3.960 -0.000 0.000 0.298 353 G C -1.479 173.706 174.900 0.476 0.000 1.277 353 G CA -0.439 44.784 45.100 0.205 0.000 0.986 353 G HN 0.174 nan 8.290 nan 0.000 0.487 354 V N 0.221 120.369 119.914 0.391 0.000 2.735 354 V HA 0.460 4.580 4.120 -0.000 0.000 0.310 354 V C -0.491 175.744 176.094 0.234 0.000 1.061 354 V CA -1.183 61.233 62.300 0.193 0.000 0.913 354 V CB 1.810 33.410 31.823 -0.371 0.000 1.005 354 V HN 0.751 nan 8.190 nan 0.000 0.428 355 N N 4.434 123.234 118.700 0.166 0.000 2.525 355 N HA 0.382 5.122 4.740 -0.000 0.000 0.271 355 N C -0.575 174.818 175.510 -0.195 0.000 1.194 355 N CA -0.184 52.881 53.050 0.024 0.000 0.964 355 N CB 1.081 39.629 38.487 0.101 0.000 1.126 355 N HN 0.605 nan 8.380 nan 0.000 0.452 356 R N 1.830 122.206 120.500 -0.207 0.000 2.531 356 R HA 0.214 4.554 4.340 -0.000 0.000 0.293 356 R C -1.253 174.923 176.300 -0.207 0.000 1.124 356 R CA -0.535 55.443 56.100 -0.203 0.000 0.945 356 R CB 0.429 30.599 30.300 -0.217 0.000 1.195 356 R HN 0.617 nan 8.270 nan 0.000 0.433 357 H N 1.082 120.064 119.070 -0.147 0.000 2.544 357 H HA 0.191 4.747 4.556 -0.000 0.000 0.365 357 H C -0.287 175.060 175.328 0.031 0.000 1.268 357 H CA -0.034 56.010 56.048 -0.007 0.000 1.400 357 H CB 1.037 30.855 29.762 0.094 0.000 1.538 357 H HN 0.454 nan 8.280 nan 0.000 0.597 358 E N 1.228 121.603 120.200 0.291 0.000 2.081 358 E HA 0.218 4.568 4.350 -0.000 0.000 0.281 358 E C -0.862 175.847 176.600 0.182 0.000 0.986 358 E CA -0.232 56.239 56.400 0.118 0.000 0.796 358 E CB 0.870 30.599 29.700 0.048 0.000 1.085 358 E HN 0.529 nan 8.360 nan 0.000 0.398 359 H N 1.526 120.629 119.070 0.054 0.000 2.974 359 H HA 0.270 4.826 4.556 -0.000 0.000 0.366 359 H C -1.670 173.694 175.328 0.060 0.000 1.155 359 H CA -0.703 55.375 56.048 0.050 0.000 1.186 359 H CB 1.531 31.309 29.762 0.026 0.000 1.799 359 H HN 0.477 nan 8.280 nan 0.000 0.541 360 H N 5.894 124.699 119.070 -0.442 0.000 2.934 360 H HA 0.177 4.733 4.556 -0.000 0.000 0.340 360 H C -2.363 172.686 175.328 -0.465 0.000 1.008 360 H CA -2.299 53.593 56.048 -0.261 0.000 1.317 360 H CB 2.570 32.233 29.762 -0.165 0.000 1.670 360 H HN 0.531 nan 8.280 nan 0.000 0.516 361 P HA -0.133 nan 4.420 nan 0.000 0.216 361 P C 1.360 178.631 177.300 -0.049 0.000 1.153 361 P CA 1.051 64.119 63.100 -0.053 0.000 0.858 361 P CB 0.765 32.384 31.700 -0.134 0.000 0.789 362 L N -1.981 119.310 121.223 0.113 0.000 2.221 362 L HA 0.061 4.401 4.340 -0.000 0.000 0.202 362 L C 2.503 179.331 176.870 -0.071 0.000 1.074 362 L CA 0.853 55.670 54.840 -0.037 0.000 0.795 362 L CB -0.944 41.018 42.059 -0.162 0.000 0.960 362 L HN 0.025 nan 8.230 nan 0.000 0.458 363 H N -0.299 118.709 119.070 -0.105 0.000 2.548 363 H HA 0.187 4.743 4.556 -0.000 0.000 0.265 363 H C 1.465 176.625 175.328 -0.280 0.000 0.969 363 H CA 0.038 55.889 56.048 -0.328 0.000 1.155 363 H CB 0.326 29.709 29.762 -0.632 0.000 1.394 363 H HN 0.429 nan 8.280 nan 0.000 0.570 364 G N 1.467 110.141 108.800 -0.211 0.000 2.514 364 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.265 364 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.265 364 G C 0.352 175.053 174.900 -0.331 0.000 1.150 364 G CA 0.196 45.077 45.100 -0.365 0.000 0.959 364 G HN 0.463 nan 8.290 nan 0.000 0.556 365 Q N -0.108 119.535 119.800 -0.261 0.000 2.212 365 Q HA 0.502 4.842 4.340 -0.000 0.000 0.213 365 Q C 0.303 176.274 176.000 -0.048 0.000 0.874 365 Q CA -0.173 55.519 55.803 -0.184 0.000 0.965 365 Q CB 1.037 29.598 28.738 -0.295 0.000 1.074 365 Q HN 0.383 nan 8.270 nan 0.000 0.473 366 V N 1.830 121.725 119.914 -0.031 0.000 2.498 366 V HA 0.255 4.375 4.120 -0.000 0.000 0.279 366 V C 0.118 176.217 176.094 0.007 0.000 1.048 366 V CA -0.056 62.263 62.300 0.030 0.000 0.967 366 V CB 1.141 32.926 31.823 -0.063 0.000 0.988 366 V HN 0.378 nan 8.190 nan 0.000 0.473 367 M N 5.193 124.809 119.600 0.026 0.000 2.508 367 M HA 0.548 5.028 4.480 -0.000 0.000 0.327 367 M C -0.630 175.605 176.300 -0.108 0.000 1.160 367 M CA -0.465 54.802 55.300 -0.054 0.000 0.980 367 M CB 2.006 34.523 32.600 -0.138 0.000 1.693 367 M HN 0.816 nan 8.290 nan 0.000 0.452 368 D N 0.254 120.609 120.400 -0.076 0.000 2.581 368 D HA 0.256 4.896 4.640 -0.000 0.000 0.232 368 D C 0.045 176.336 176.300 -0.015 0.000 1.143 368 D CA -0.515 53.458 54.000 -0.046 0.000 0.881 368 D CB 2.044 42.849 40.800 0.009 0.000 1.500 368 D HN 0.648 nan 8.370 nan 0.000 0.458 369 E N -0.137 120.074 120.200 0.019 0.000 2.108 369 E HA -0.286 4.064 4.350 -0.000 0.000 0.203 369 E C 1.651 178.307 176.600 0.094 0.000 1.022 369 E CA 1.849 58.292 56.400 0.071 0.000 0.823 369 E CB 0.188 29.947 29.700 0.099 0.000 0.744 369 E HN 0.401 nan 8.360 nan 0.000 0.456 370 Q N -0.310 119.544 119.800 0.090 0.000 1.935 370 Q HA -0.191 4.149 4.340 -0.000 0.000 0.212 370 Q C 2.377 178.440 176.000 0.105 0.000 1.008 370 Q CA 2.326 58.190 55.803 0.102 0.000 0.868 370 Q CB -0.974 27.827 28.738 0.105 0.000 0.946 370 Q HN 0.360 nan 8.270 nan 0.000 0.418 371 T N 2.089 116.711 114.554 0.114 0.000 2.620 371 T HA -0.256 4.094 4.350 -0.000 0.000 0.267 371 T C 2.046 176.798 174.700 0.087 0.000 1.044 371 T CA 2.293 64.460 62.100 0.112 0.000 1.161 371 T CB -0.410 68.545 68.868 0.144 0.000 0.862 371 T HN 0.283 nan 8.240 nan 0.000 0.438 372 M N 0.606 120.249 119.600 0.072 0.000 2.073 372 M HA -0.127 4.353 4.480 -0.000 0.000 0.258 372 M C 2.534 178.947 176.300 0.189 0.000 1.070 372 M CA 1.577 56.962 55.300 0.140 0.000 1.103 372 M CB -0.970 31.760 32.600 0.217 0.000 1.321 372 M HN 0.103 nan 8.290 nan 0.000 0.405 373 V N 0.162 120.165 119.914 0.148 0.000 2.490 373 V HA -0.274 3.846 4.120 -0.000 0.000 0.250 373 V C 2.364 178.476 176.094 0.030 0.000 1.061 373 V CA 2.029 64.379 62.300 0.082 0.000 1.064 373 V CB -1.028 30.869 31.823 0.123 0.000 0.670 373 V HN 0.553 nan 8.190 nan 0.000 0.461 374 Q N 0.080 119.928 119.800 0.080 0.000 2.020 374 Q HA -0.266 4.074 4.340 -0.000 0.000 0.202 374 Q C 2.066 178.140 176.000 0.123 0.000 0.982 374 Q CA 2.221 58.079 55.803 0.091 0.000 0.838 374 Q CB -0.173 28.627 28.738 0.102 0.000 0.899 374 Q HN 0.594 nan 8.270 nan 0.000 0.423 375 D N 0.472 120.965 120.400 0.154 0.000 2.106 375 D HA -0.195 4.445 4.640 -0.000 0.000 0.191 375 D C 1.941 178.251 176.300 0.016 0.000 0.997 375 D CA 1.345 55.458 54.000 0.189 0.000 0.834 375 D CB -0.313 40.551 40.800 0.108 0.000 0.956 375 D HN 0.356 nan 8.370 nan 0.000 0.448 376 I N 0.638 121.213 120.570 0.008 0.000 2.163 376 I HA -0.275 3.895 4.170 -0.000 0.000 0.243 376 I C 2.487 178.503 176.117 -0.168 0.000 1.085 376 I CA 0.766 61.995 61.300 -0.117 0.000 1.347 376 I CB -0.204 37.683 38.000 -0.188 0.000 1.044 376 I HN 0.041 nan 8.210 nan 0.000 0.408 377 L N 0.102 121.238 121.223 -0.146 0.000 2.012 377 L HA -0.268 4.072 4.340 -0.000 0.000 0.210 377 L C 2.594 179.538 176.870 0.123 0.000 1.073 377 L CA 1.567 56.396 54.840 -0.017 0.000 0.748 377 L CB -0.712 41.352 42.059 0.007 0.000 0.891 377 L HN 0.288 nan 8.230 nan 0.000 0.431 378 L N -0.878 120.444 121.223 0.165 0.000 1.955 378 L HA -0.283 4.057 4.340 -0.000 0.000 0.213 378 L C 2.751 179.788 176.870 0.278 0.000 1.072 378 L CA 1.601 56.616 54.840 0.292 0.000 0.755 378 L CB -0.508 41.831 42.059 0.468 0.000 0.888 378 L HN 0.221 nan 8.230 nan 0.000 0.432 379 M N -0.472 119.170 119.600 0.070 0.000 2.352 379 M HA -0.331 4.149 4.480 -0.000 0.000 0.260 379 M C 2.342 178.725 176.300 0.140 0.000 1.068 379 M CA 1.961 57.236 55.300 -0.041 0.000 1.082 379 M CB -0.813 31.541 32.600 -0.410 0.000 1.262 379 M HN 0.141 nan 8.290 nan 0.000 0.444 380 K N 0.302 120.677 120.400 -0.041 0.000 2.034 380 K HA -0.256 4.063 4.320 -0.000 0.000 0.214 380 K C 1.968 178.551 176.600 -0.028 0.000 1.051 380 K CA 2.080 58.230 56.287 -0.229 0.000 0.931 380 K CB -0.558 31.569 32.500 -0.621 0.000 0.715 380 K HN 0.519 nan 8.250 nan 0.000 0.446 381 Q N 0.429 120.389 119.800 0.266 0.000 2.248 381 Q HA -0.102 4.238 4.340 -0.000 0.000 0.208 381 Q C 1.082 177.387 176.000 0.508 0.000 0.984 381 Q CA 1.043 57.124 55.803 0.464 0.000 0.875 381 Q CB -0.043 28.951 28.738 0.427 0.000 0.910 381 Q HN 0.312 nan 8.270 nan 0.000 0.433 382 N N 0.606 119.554 118.700 0.413 0.000 2.322 382 N HA 0.029 4.769 4.740 -0.000 0.000 0.216 382 N C -0.542 175.071 175.510 0.172 0.000 1.144 382 N CA 0.089 53.360 53.050 0.369 0.000 0.830 382 N CB 0.525 39.308 38.487 0.493 0.000 1.034 382 N HN 0.222 nan 8.380 nan 0.000 0.484 383 N N 0.020 118.837 118.700 0.195 0.000 2.782 383 N HA -0.183 4.557 4.740 -0.000 0.000 0.251 383 N C -0.609 174.833 175.510 -0.114 0.000 1.101 383 N CA 0.730 53.835 53.050 0.093 0.000 0.764 383 N CB -1.706 36.733 38.487 -0.078 0.000 1.122 383 N HN 0.237 nan 8.380 nan 0.000 0.561 384 F N 0.774 120.745 119.950 0.036 0.000 2.380 384 F HA 0.245 4.772 4.527 -0.000 0.000 0.325 384 F C 1.915 177.717 175.800 0.003 0.000 1.136 384 F CA -0.004 58.000 58.000 0.007 0.000 1.171 384 F CB 0.628 39.606 39.000 -0.036 0.000 1.230 384 F HN -0.069 nan 8.300 nan 0.000 0.554 385 N N -0.430 118.419 118.700 0.249 0.000 2.297 385 N HA 0.467 5.207 4.740 -0.000 0.000 0.208 385 N C -0.890 174.677 175.510 0.095 0.000 1.176 385 N CA 0.104 53.237 53.050 0.138 0.000 0.882 385 N CB 0.693 39.310 38.487 0.217 0.000 1.134 385 N HN 0.600 nan 8.380 nan 0.000 0.489 386 A N 0.405 123.353 122.820 0.214 0.000 2.586 386 A HA 0.548 4.868 4.320 -0.000 0.000 0.291 386 A C -1.946 175.881 177.584 0.406 0.000 1.062 386 A CA -0.434 51.784 52.037 0.303 0.000 0.666 386 A CB 1.418 20.714 19.000 0.493 0.000 1.281 386 A HN -0.037 nan 8.150 nan 0.000 0.421 387 V N 0.435 120.588 119.914 0.399 0.000 2.925 387 V HA 0.874 4.994 4.120 -0.000 0.000 0.311 387 V C -0.644 175.538 176.094 0.147 0.000 1.104 387 V CA -0.706 61.787 62.300 0.321 0.000 0.954 387 V CB 1.885 33.820 31.823 0.187 0.000 1.022 387 V HN 1.272 nan 8.190 nan 0.000 0.427 388 R N 5.059 125.517 120.500 -0.069 0.000 2.246 388 R HA 0.444 4.784 4.340 -0.000 0.000 0.332 388 R C -0.566 175.675 176.300 -0.097 0.000 0.974 388 R CA -0.395 55.523 56.100 -0.302 0.000 0.837 388 R CB 0.596 30.485 30.300 -0.685 0.000 1.145 388 R HN 0.871 nan 8.270 nan 0.000 0.467 389 C N 4.599 123.890 119.300 -0.016 0.000 3.661 389 C HA 0.001 4.460 4.460 -0.000 0.000 0.488 389 C C 0.738 175.654 174.990 -0.124 0.000 1.045 389 C CA 0.006 59.022 59.018 -0.003 0.000 1.060 389 C CB -2.425 25.403 27.740 0.146 0.000 1.456 389 C HN 0.731 nan 8.230 nan 0.000 0.613 390 S N 1.624 117.202 115.700 -0.203 0.000 2.430 390 S HA 0.198 4.668 4.470 -0.000 0.000 0.282 390 S C -0.239 173.715 174.600 -1.077 0.000 1.186 390 S CA 0.038 58.121 58.200 -0.195 0.000 1.060 390 S CB 0.118 63.211 63.200 -0.179 0.000 0.966 390 S HN 0.701 nan 8.310 nan 0.000 0.501 391 H N 3.769 122.127 119.070 -1.187 0.000 2.514 391 H HA 0.354 4.910 4.556 -0.000 0.000 0.226 391 H C -1.130 173.972 175.328 -0.376 0.000 1.421 391 H CA -0.592 55.154 56.048 -0.504 0.000 1.394 391 H CB -0.314 29.341 29.762 -0.178 0.000 1.701 391 H HN 0.839 nan 8.280 nan 0.000 0.515 392 Y N -2.690 117.734 120.300 0.206 0.000 2.717 392 Y HA 0.425 4.975 4.550 -0.000 0.000 0.345 392 Y C -3.338 172.690 175.900 0.213 0.000 1.187 392 Y CA -3.234 54.987 58.100 0.203 0.000 1.128 392 Y CB -0.018 38.558 38.460 0.193 0.000 1.360 392 Y HN -0.083 nan 8.280 nan 0.000 0.467 393 P HA 0.122 nan 4.420 nan 0.000 0.266 393 P C -0.435 177.175 177.300 0.517 0.000 1.195 393 P CA 0.319 63.705 63.100 0.477 0.000 0.768 393 P CB 0.682 32.584 31.700 0.337 0.000 0.838 394 N N 0.562 119.598 118.700 0.560 0.000 2.476 394 N HA 0.088 4.828 4.740 -0.000 0.000 0.287 394 N C 0.056 175.837 175.510 0.451 0.000 1.262 394 N CA -0.547 52.736 53.050 0.387 0.000 0.980 394 N CB 0.317 38.874 38.487 0.116 0.000 1.163 394 N HN 0.593 nan 8.380 nan 0.000 0.592 395 H N 1.847 121.039 119.070 0.204 0.000 2.767 395 H HA 0.112 4.668 4.556 -0.000 0.000 0.316 395 H C -1.834 173.682 175.328 0.313 0.000 1.059 395 H CA -1.724 54.440 56.048 0.194 0.000 1.461 395 H CB 1.091 30.910 29.762 0.095 0.000 1.475 395 H HN 0.384 nan 8.280 nan 0.000 0.531 396 P HA -0.285 nan 4.420 nan 0.000 0.222 396 P C 1.816 179.432 177.300 0.527 0.000 1.155 396 P CA 1.039 64.374 63.100 0.392 0.000 0.890 396 P CB 0.204 31.969 31.700 0.109 0.000 0.790 397 L N -1.331 120.310 121.223 0.697 0.000 2.127 397 L HA -0.105 4.235 4.340 -0.000 0.000 0.211 397 L C 2.466 179.562 176.870 0.377 0.000 1.089 397 L CA 1.507 56.638 54.840 0.485 0.000 0.757 397 L CB -1.408 40.912 42.059 0.435 0.000 0.899 397 L HN 0.082 nan 8.230 nan 0.000 0.434 398 W N -0.312 121.065 121.300 0.129 0.000 2.311 398 W HA -0.387 4.273 4.660 -0.000 0.000 0.326 398 W C 2.316 178.742 176.519 -0.154 0.000 1.239 398 W CA 2.090 59.372 57.345 -0.105 0.000 1.258 398 W CB -0.555 28.733 29.460 -0.287 0.000 1.165 398 W HN 0.262 nan 8.180 nan 0.000 0.466 399 Y N 0.986 121.204 120.300 -0.137 0.000 2.193 399 Y HA -0.292 4.258 4.550 -0.000 0.000 0.285 399 Y C 2.805 178.434 175.900 -0.453 0.000 1.166 399 Y CA 2.155 59.917 58.100 -0.562 0.000 1.181 399 Y CB -1.575 36.236 38.460 -1.082 0.000 0.976 399 Y HN -0.121 nan 8.280 nan 0.000 0.520 400 T N 0.853 115.417 114.554 0.017 0.000 2.643 400 T HA -0.175 4.175 4.350 -0.000 0.000 0.264 400 T C 2.079 176.800 174.700 0.034 0.000 1.045 400 T CA 1.628 63.802 62.100 0.124 0.000 1.155 400 T CB -0.714 68.277 68.868 0.204 0.000 0.863 400 T HN 0.216 nan 8.240 nan 0.000 0.420 401 L N 0.601 121.843 121.223 0.031 0.000 1.997 401 L HA -0.231 4.109 4.340 -0.000 0.000 0.216 401 L C 2.995 179.856 176.870 -0.015 0.000 1.074 401 L CA 1.396 56.274 54.840 0.063 0.000 0.763 401 L CB -1.031 41.128 42.059 0.167 0.000 0.890 401 L HN 0.403 nan 8.230 nan 0.000 0.434 402 C N -0.076 119.061 119.300 -0.271 0.000 2.403 402 C HA -0.186 4.274 4.460 -0.000 0.000 0.277 402 C C 2.419 177.409 174.990 -0.001 0.000 1.248 402 C CA 0.760 59.612 59.018 -0.277 0.000 1.762 402 C CB -0.993 26.421 27.740 -0.544 0.000 2.014 402 C HN 0.569 nan 8.230 nan 0.000 0.486 403 D N 0.311 120.724 120.400 0.022 0.000 2.178 403 D HA -0.085 4.555 4.640 -0.000 0.000 0.202 403 D C 2.198 178.657 176.300 0.265 0.000 0.974 403 D CA 1.061 55.166 54.000 0.175 0.000 0.841 403 D CB -0.323 40.530 40.800 0.088 0.000 0.953 403 D HN 0.652 nan 8.370 nan 0.000 0.478 404 R N -0.940 119.602 120.500 0.070 0.000 2.206 404 R HA 0.080 4.420 4.340 -0.000 0.000 0.198 404 R C 1.930 178.121 176.300 -0.182 0.000 0.986 404 R CA 0.170 56.240 56.100 -0.050 0.000 1.029 404 R CB -0.294 29.925 30.300 -0.134 0.000 0.966 404 R HN 0.127 nan 8.270 nan 0.000 0.487 405 Y N 1.185 121.482 120.300 -0.004 0.000 2.184 405 Y HA 0.131 4.681 4.550 -0.000 0.000 0.290 405 Y C 1.372 177.183 175.900 -0.149 0.000 1.129 405 Y CA 1.417 59.484 58.100 -0.056 0.000 1.144 405 Y CB 0.049 38.460 38.460 -0.082 0.000 0.995 405 Y HN 0.314 nan 8.280 nan 0.000 0.513 406 G N 0.290 109.079 108.800 -0.019 0.000 2.867 406 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.182 406 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.182 406 G C -1.107 173.591 174.900 -0.337 0.000 1.029 406 G CA -0.563 44.382 45.100 -0.258 0.000 1.093 406 G HN 0.134 nan 8.290 nan 0.000 0.585 407 L N 0.593 121.692 121.223 -0.206 0.000 2.431 407 L HA 0.510 4.850 4.340 -0.000 0.000 0.266 407 L C -0.293 176.522 176.870 -0.092 0.000 0.978 407 L CA -1.393 53.295 54.840 -0.254 0.000 0.822 407 L CB 1.843 43.780 42.059 -0.203 0.000 1.310 407 L HN 0.262 nan 8.230 nan 0.000 0.409 408 Y N 2.140 122.529 120.300 0.148 0.000 2.402 408 Y HA 0.268 4.818 4.550 -0.000 0.000 0.333 408 Y C 0.392 176.375 175.900 0.139 0.000 1.076 408 Y CA -0.457 57.765 58.100 0.204 0.000 1.299 408 Y CB 0.598 39.179 38.460 0.203 0.000 1.197 408 Y HN 0.118 nan 8.280 nan 0.000 0.517 409 V N 4.233 124.277 119.914 0.217 0.000 2.547 409 V HA 0.429 4.548 4.120 -0.000 0.000 0.299 409 V C -0.326 175.803 176.094 0.057 0.000 1.040 409 V CA -1.072 61.286 62.300 0.096 0.000 0.913 409 V CB 1.921 33.745 31.823 0.002 0.000 0.992 409 V HN 0.455 nan 8.190 nan 0.000 0.449 410 V N 2.845 122.761 119.914 0.003 0.000 2.313 410 V HA 0.313 4.433 4.120 -0.000 0.000 0.278 410 V C -0.392 175.706 176.094 0.007 0.000 1.017 410 V CA -0.433 61.824 62.300 -0.073 0.000 0.823 410 V CB 1.385 33.062 31.823 -0.243 0.000 1.010 410 V HN 0.883 nan 8.190 nan 0.000 0.443 411 D N 4.133 124.559 120.400 0.044 0.000 2.312 411 D HA 0.264 4.904 4.640 -0.000 0.000 0.252 411 D C -0.103 176.356 176.300 0.265 0.000 1.150 411 D CA 0.117 54.251 54.000 0.224 0.000 0.870 411 D CB 1.138 42.085 40.800 0.245 0.000 1.153 411 D HN 0.692 nan 8.370 nan 0.000 0.457 412 E N 2.124 122.476 120.200 0.254 0.000 2.218 412 E HA 0.563 4.913 4.350 -0.000 0.000 0.263 412 E C -1.137 175.603 176.600 0.233 0.000 0.879 412 E CA -1.075 55.451 56.400 0.210 0.000 0.762 412 E CB 1.186 30.951 29.700 0.109 0.000 1.166 412 E HN 0.435 nan 8.360 nan 0.000 0.415 413 A N 4.419 127.370 122.820 0.219 0.000 2.546 413 A HA -0.009 4.311 4.320 -0.000 0.000 0.243 413 A C 0.471 178.177 177.584 0.203 0.000 1.063 413 A CA -0.176 51.976 52.037 0.191 0.000 0.757 413 A CB 0.042 19.127 19.000 0.142 0.000 0.991 413 A HN 0.714 nan 8.150 nan 0.000 0.503 414 N N 2.267 121.102 118.700 0.227 0.000 2.814 414 N HA 0.120 4.860 4.740 -0.000 0.000 0.304 414 N C -0.867 174.776 175.510 0.221 0.000 1.211 414 N CA 0.379 53.591 53.050 0.269 0.000 1.158 414 N CB -0.840 37.820 38.487 0.289 0.000 1.458 414 N HN 0.503 nan 8.380 nan 0.000 0.519 415 I N 1.286 121.979 120.570 0.205 0.000 2.576 415 I HA 0.190 4.360 4.170 -0.000 0.000 0.279 415 I C -0.548 175.680 176.117 0.185 0.000 1.114 415 I CA -0.538 60.871 61.300 0.182 0.000 1.076 415 I CB 1.441 39.525 38.000 0.140 0.000 1.212 415 I HN 0.247 nan 8.210 nan 0.000 0.472 416 E N 3.894 124.209 120.200 0.190 0.000 2.272 416 E HA 0.524 4.874 4.350 -0.000 0.000 0.269 416 E C -0.237 176.457 176.600 0.157 0.000 0.877 416 E CA -0.495 56.003 56.400 0.162 0.000 0.755 416 E CB 2.034 31.837 29.700 0.172 0.000 1.192 416 E HN 0.511 nan 8.360 nan 0.000 0.422 417 T N 0.532 115.165 114.554 0.131 0.000 3.393 417 T HA 0.126 4.476 4.350 -0.000 0.000 0.298 417 T C 0.922 175.704 174.700 0.137 0.000 1.004 417 T CA -0.153 62.052 62.100 0.176 0.000 0.956 417 T CB -0.406 68.533 68.868 0.119 0.000 1.182 417 T HN 0.703 nan 8.240 nan 0.000 0.497 418 H N 1.129 120.156 119.070 -0.072 0.000 2.362 418 H HA -0.133 4.423 4.556 -0.000 0.000 0.294 418 H C 2.342 177.572 175.328 -0.165 0.000 1.113 418 H CA 1.748 57.715 56.048 -0.135 0.000 1.253 418 H CB -0.291 29.354 29.762 -0.195 0.000 1.363 418 H HN 0.566 nan 8.280 nan 0.000 0.494 419 G N 0.396 109.097 108.800 -0.165 0.000 2.509 419 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.218 419 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.218 419 G C 0.658 175.704 174.900 0.243 0.000 1.124 419 G CA 0.157 45.203 45.100 -0.089 0.000 0.776 419 G HN 0.177 nan 8.290 nan 0.000 0.547 420 M N 0.102 119.892 119.600 0.316 0.000 2.219 420 M HA 0.287 4.767 4.480 -0.000 0.000 0.307 420 M C -0.371 175.979 176.300 0.083 0.000 1.116 420 M CA 0.148 55.561 55.300 0.188 0.000 1.181 420 M CB 1.180 33.838 32.600 0.096 0.000 1.410 420 M HN -0.162 nan 8.290 nan 0.000 0.454 421 V N 2.394 122.329 119.914 0.036 0.000 2.509 421 V HA 0.306 4.426 4.120 -0.000 0.000 0.289 421 V C -2.196 173.895 176.094 -0.006 0.000 1.026 421 V CA -1.331 60.976 62.300 0.011 0.000 0.872 421 V CB 1.667 33.495 31.823 0.007 0.000 1.017 421 V HN 0.704 nan 8.190 nan 0.000 0.436 422 P HA 0.309 nan 4.420 nan 0.000 0.275 422 P C 1.065 178.366 177.300 0.002 0.000 1.266 422 P CA -0.584 62.514 63.100 -0.004 0.000 0.793 422 P CB 0.694 32.392 31.700 -0.003 0.000 1.074 423 M N 0.215 119.817 119.600 0.003 0.000 2.539 423 M HA -0.152 4.328 4.480 -0.000 0.000 0.261 423 M C 1.398 177.711 176.300 0.022 0.000 1.069 423 M CA 1.435 56.741 55.300 0.009 0.000 1.081 423 M CB -0.489 32.093 32.600 -0.030 0.000 1.412 423 M HN 0.354 nan 8.290 nan 0.000 0.482 424 N N -0.237 118.473 118.700 0.017 0.000 2.376 424 N HA -0.126 4.614 4.740 -0.000 0.000 0.177 424 N C 1.603 177.092 175.510 -0.036 0.000 1.024 424 N CA 0.129 53.189 53.050 0.016 0.000 0.893 424 N CB 0.153 38.649 38.487 0.015 0.000 0.980 424 N HN 0.299 nan 8.380 nan 0.000 0.439 425 R N 0.865 121.334 120.500 -0.050 0.000 2.265 425 R HA -0.218 4.122 4.340 -0.000 0.000 0.256 425 R C 1.668 177.865 176.300 -0.171 0.000 1.120 425 R CA 1.755 57.798 56.100 -0.095 0.000 0.956 425 R CB -0.242 30.006 30.300 -0.087 0.000 0.925 425 R HN 0.269 nan 8.270 nan 0.000 0.448 426 L N -1.527 119.540 121.223 -0.261 0.000 2.357 426 L HA 0.058 4.398 4.340 -0.000 0.000 0.211 426 L C 2.327 179.048 176.870 -0.250 0.000 1.075 426 L CA 1.068 55.631 54.840 -0.462 0.000 0.830 426 L CB -0.105 41.467 42.059 -0.812 0.000 0.996 426 L HN 0.440 nan 8.230 nan 0.000 0.467 427 T N -4.663 109.786 114.554 -0.175 0.000 3.088 427 T HA -0.105 4.245 4.350 -0.000 0.000 0.259 427 T C 1.141 175.750 174.700 -0.151 0.000 1.122 427 T CA 0.714 62.705 62.100 -0.183 0.000 1.095 427 T CB -0.099 68.623 68.868 -0.242 0.000 0.930 427 T HN 0.016 nan 8.240 nan 0.000 0.508 428 D N 1.443 121.786 120.400 -0.096 0.000 2.342 428 D HA 0.134 4.774 4.640 -0.000 0.000 0.221 428 D C -0.454 175.822 176.300 -0.039 0.000 1.101 428 D CA -0.244 53.711 54.000 -0.075 0.000 0.837 428 D CB -0.104 40.665 40.800 -0.051 0.000 0.938 428 D HN 0.363 nan 8.370 nan 0.000 0.508 429 D N -0.355 120.036 120.400 -0.015 0.000 2.414 429 D HA 0.178 4.818 4.640 -0.000 0.000 0.232 429 D C -1.755 174.594 176.300 0.082 0.000 1.070 429 D CA -2.366 51.668 54.000 0.058 0.000 0.839 429 D CB 2.032 42.902 40.800 0.116 0.000 1.079 429 D HN -0.113 nan 8.370 nan 0.000 0.521 430 P HA -0.183 nan 4.420 nan 0.000 0.216 430 P C 1.119 178.419 177.300 -0.000 0.000 1.157 430 P CA 1.232 64.335 63.100 0.005 0.000 0.880 430 P CB 0.273 31.968 31.700 -0.008 0.000 0.791 431 R N -2.120 118.384 120.500 0.007 0.000 2.211 431 R HA -0.149 4.191 4.340 -0.000 0.000 0.240 431 R C 1.853 178.023 176.300 -0.217 0.000 1.144 431 R CA 1.433 57.470 56.100 -0.106 0.000 0.992 431 R CB -0.791 29.427 30.300 -0.137 0.000 0.869 431 R HN 0.350 nan 8.270 nan 0.000 0.462 432 W N -1.120 120.123 121.300 -0.096 0.000 3.114 432 W HA 0.169 4.829 4.660 -0.000 0.000 0.279 432 W C 1.413 177.871 176.519 -0.101 0.000 1.277 432 W CA -0.497 56.791 57.345 -0.096 0.000 1.630 432 W CB -0.143 29.258 29.460 -0.098 0.000 1.087 432 W HN 0.017 nan 8.180 nan 0.000 0.637 433 L N 2.177 123.428 121.223 0.047 0.000 2.021 433 L HA -0.173 4.167 4.340 -0.000 0.000 0.215 433 L C -0.603 176.229 176.870 -0.062 0.000 1.074 433 L CA 2.442 57.264 54.840 -0.029 0.000 0.760 433 L CB -1.853 40.178 42.059 -0.046 0.000 0.889 433 L HN -0.204 nan 8.230 nan 0.000 0.433 434 P HA -0.197 nan 4.420 nan 0.000 0.212 434 P C 1.663 178.913 177.300 -0.083 0.000 1.178 434 P CA 2.383 65.424 63.100 -0.098 0.000 0.915 434 P CB -0.354 31.276 31.700 -0.115 0.000 0.788 435 A N -0.482 122.298 122.820 -0.067 0.000 1.896 435 A HA -0.286 4.034 4.320 -0.000 0.000 0.220 435 A C 2.323 179.923 177.584 0.025 0.000 1.206 435 A CA 2.911 54.944 52.037 -0.007 0.000 0.647 435 A CB -1.740 17.288 19.000 0.046 0.000 0.828 435 A HN 0.129 nan 8.150 nan 0.000 0.455 436 M N 0.127 119.751 119.600 0.039 0.000 2.159 436 M HA -0.156 4.324 4.480 -0.000 0.000 0.263 436 M C 2.521 178.772 176.300 -0.082 0.000 1.063 436 M CA 1.801 57.097 55.300 -0.005 0.000 1.110 436 M CB -0.485 32.087 32.600 -0.045 0.000 1.374 436 M HN 0.728 nan 8.290 nan 0.000 0.411 437 S N 0.232 115.856 115.700 -0.127 0.000 2.382 437 S HA -0.152 4.318 4.470 -0.000 0.000 0.228 437 S C 1.621 176.072 174.600 -0.249 0.000 1.027 437 S CA 1.193 59.256 58.200 -0.228 0.000 0.991 437 S CB -0.489 62.549 63.200 -0.270 0.000 0.823 437 S HN 0.497 nan 8.310 nan 0.000 0.469 438 E N 1.227 121.330 120.200 -0.162 0.000 2.160 438 E HA -0.141 4.209 4.350 -0.000 0.000 0.195 438 E C 2.423 178.952 176.600 -0.118 0.000 0.991 438 E CA 1.133 57.449 56.400 -0.140 0.000 0.810 438 E CB -0.147 29.504 29.700 -0.083 0.000 0.742 438 E HN 0.643 nan 8.360 nan 0.000 0.466 439 R N 0.143 120.598 120.500 -0.075 0.000 2.092 439 R HA -0.070 4.270 4.340 -0.000 0.000 0.231 439 R C 2.406 178.672 176.300 -0.056 0.000 1.119 439 R CA 0.918 57.002 56.100 -0.027 0.000 0.970 439 R CB -0.170 30.152 30.300 0.037 0.000 0.864 439 R HN 0.018 nan 8.270 nan 0.000 0.440 440 V N 0.828 120.664 119.914 -0.130 0.000 2.302 440 V HA -0.205 3.915 4.120 -0.000 0.000 0.243 440 V C 2.629 178.569 176.094 -0.257 0.000 1.036 440 V CA 2.227 64.436 62.300 -0.150 0.000 1.020 440 V CB -0.621 31.113 31.823 -0.148 0.000 0.657 440 V HN 0.524 nan 8.190 nan 0.000 0.453 441 T N -0.249 114.015 114.554 -0.483 0.000 2.684 441 T HA -0.265 4.085 4.350 -0.000 0.000 0.267 441 T C 1.925 176.469 174.700 -0.260 0.000 1.036 441 T CA 1.569 63.287 62.100 -0.636 0.000 1.148 441 T CB -0.478 67.842 68.868 -0.914 0.000 0.863 441 T HN 0.440 nan 8.240 nan 0.000 0.436 442 R N 0.666 121.045 120.500 -0.201 0.000 2.148 442 R HA 0.150 4.490 4.340 -0.000 0.000 0.227 442 R C 2.707 178.941 176.300 -0.109 0.000 1.103 442 R CA 1.464 57.487 56.100 -0.129 0.000 0.983 442 R CB -0.515 29.723 30.300 -0.103 0.000 0.874 442 R HN 0.555 nan 8.270 nan 0.000 0.451 443 M N 0.634 120.178 119.600 -0.092 0.000 2.156 443 M HA -0.085 4.395 4.480 -0.000 0.000 0.264 443 M C 1.796 178.032 176.300 -0.106 0.000 1.067 443 M CA 1.574 56.850 55.300 -0.041 0.000 1.131 443 M CB 0.077 32.712 32.600 0.059 0.000 1.368 443 M HN -0.060 nan 8.290 nan 0.000 0.416 444 V N 1.450 121.209 119.914 -0.257 0.000 2.332 444 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 444 V C 2.393 178.339 176.094 -0.246 0.000 1.055 444 V CA 2.084 64.091 62.300 -0.488 0.000 1.038 444 V CB -1.042 30.447 31.823 -0.557 0.000 0.651 444 V HN 0.601 nan 8.190 nan 0.000 0.450 445 Q N -0.625 119.084 119.800 -0.152 0.000 2.135 445 Q HA -0.242 4.098 4.340 -0.000 0.000 0.204 445 Q C 2.503 178.391 176.000 -0.186 0.000 0.981 445 Q CA 1.786 57.505 55.803 -0.140 0.000 0.856 445 Q CB -0.180 28.513 28.738 -0.075 0.000 0.902 445 Q HN 0.565 nan 8.270 nan 0.000 0.425 446 R N 0.150 120.541 120.500 -0.182 0.000 2.112 446 R HA -0.085 4.255 4.340 -0.000 0.000 0.216 446 R C 0.603 176.782 176.300 -0.203 0.000 1.080 446 R CA 1.319 57.281 56.100 -0.230 0.000 0.996 446 R CB 0.388 30.564 30.300 -0.207 0.000 0.902 446 R HN 0.137 nan 8.270 nan 0.000 0.449 447 D N 0.141 120.488 120.400 -0.089 0.000 2.367 447 D HA -0.026 4.614 4.640 -0.000 0.000 0.207 447 D C 1.576 177.940 176.300 0.108 0.000 1.034 447 D CA 0.307 54.307 54.000 -0.000 0.000 0.861 447 D CB 0.135 40.894 40.800 -0.069 0.000 0.943 447 D HN 0.341 nan 8.370 nan 0.000 0.515 448 R N 1.013 121.590 120.500 0.128 0.000 2.261 448 R HA -0.038 4.302 4.340 -0.000 0.000 0.236 448 R C 0.944 177.209 176.300 -0.058 0.000 1.141 448 R CA 1.152 57.336 56.100 0.141 0.000 1.001 448 R CB -0.432 29.882 30.300 0.023 0.000 0.866 448 R HN 0.001 nan 8.270 nan 0.000 0.468 449 N N 0.182 118.758 118.700 -0.207 0.000 2.398 449 N HA -0.030 4.710 4.740 -0.000 0.000 0.188 449 N C -0.394 174.966 175.510 -0.250 0.000 1.122 449 N CA 0.249 53.152 53.050 -0.244 0.000 0.866 449 N CB 0.019 38.331 38.487 -0.292 0.000 0.970 449 N HN 0.325 nan 8.380 nan 0.000 0.462 450 H N 1.593 120.576 119.070 -0.145 0.000 2.767 450 H HA 0.084 4.640 4.556 -0.000 0.000 0.316 450 H C -1.123 174.032 175.328 -0.288 0.000 1.059 450 H CA -1.136 54.807 56.048 -0.176 0.000 1.461 450 H CB 1.420 31.108 29.762 -0.123 0.000 1.475 450 H HN 0.041 nan 8.280 nan 0.000 0.531 451 P HA -0.154 nan 4.420 nan 0.000 0.217 451 P C 1.517 178.374 177.300 -0.738 0.000 1.150 451 P CA 1.405 64.109 63.100 -0.661 0.000 0.832 451 P CB 0.184 31.182 31.700 -1.170 0.000 0.787 452 S N -0.364 114.966 115.700 -0.618 0.000 2.402 452 S HA -0.098 4.372 4.470 -0.000 0.000 0.233 452 S C 1.131 175.693 174.600 -0.063 0.000 1.030 452 S CA 0.778 58.852 58.200 -0.210 0.000 1.003 452 S CB -1.873 61.296 63.200 -0.052 0.000 0.813 452 S HN -0.028 nan 8.310 nan 0.000 0.477 453 V N 3.827 123.668 119.914 -0.121 0.000 2.421 453 V HA 0.188 4.308 4.120 -0.000 0.000 0.271 453 V C 1.132 177.077 176.094 -0.248 0.000 1.031 453 V CA 0.163 62.349 62.300 -0.190 0.000 1.032 453 V CB -0.042 31.580 31.823 -0.335 0.000 1.009 453 V HN 0.637 nan 8.190 nan 0.000 0.477 454 I N 2.453 122.930 120.570 -0.156 0.000 4.057 454 I HA 0.522 4.692 4.170 -0.000 0.000 0.334 454 I C 0.404 176.404 176.117 -0.196 0.000 1.308 454 I CA 0.596 61.819 61.300 -0.129 0.000 1.125 454 I CB 0.342 38.339 38.000 -0.006 0.000 1.034 454 I HN 0.338 nan 8.210 nan 0.000 0.401 455 I N -0.130 120.263 120.570 -0.295 0.000 2.841 455 I HA 0.335 4.505 4.170 -0.000 0.000 0.298 455 I C -1.724 174.201 176.117 -0.320 0.000 1.304 455 I CA -0.468 60.691 61.300 -0.235 0.000 1.019 455 I CB 2.244 40.205 38.000 -0.065 0.000 1.282 455 I HN 0.004 nan 8.210 nan 0.000 0.432 456 W N 3.338 124.687 121.300 0.083 0.000 2.551 456 W HA 0.623 5.283 4.660 -0.000 0.000 0.330 456 W C 0.225 176.806 176.519 0.103 0.000 1.063 456 W CA -0.714 56.687 57.345 0.094 0.000 1.222 456 W CB 1.784 31.306 29.460 0.102 0.000 1.349 456 W HN 0.255 nan 8.180 nan 0.000 0.536 457 S N 2.819 118.714 115.700 0.326 0.000 2.473 457 S HA 0.401 4.871 4.470 -0.000 0.000 0.307 457 S C 0.366 175.114 174.600 0.246 0.000 1.094 457 S CA -0.675 57.666 58.200 0.235 0.000 1.070 457 S CB 0.662 63.938 63.200 0.127 0.000 1.019 457 S HN 0.581 nan 8.310 nan 0.000 0.480 458 L N 4.355 125.715 121.223 0.228 0.000 2.610 458 L HA 0.330 4.670 4.340 -0.000 0.000 0.232 458 L C 1.409 178.354 176.870 0.124 0.000 1.149 458 L CA 0.436 55.356 54.840 0.133 0.000 0.872 458 L CB -1.203 40.857 42.059 0.002 0.000 0.992 458 L HN 0.959 nan 8.230 nan 0.000 0.447 459 G N -0.111 108.812 108.800 0.205 0.000 2.236 459 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.231 459 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.231 459 G C -1.670 173.337 174.900 0.179 0.000 1.334 459 G CA -0.627 44.589 45.100 0.193 0.000 1.137 459 G HN 0.146 nan 8.290 nan 0.000 0.482 460 N N 0.699 119.482 118.700 0.137 0.000 2.431 460 N HA 0.449 5.189 4.740 -0.000 0.000 0.275 460 N C -0.542 174.942 175.510 -0.044 0.000 1.091 460 N CA 0.194 53.183 53.050 -0.101 0.000 0.922 460 N CB 1.490 39.663 38.487 -0.522 0.000 1.666 460 N HN 0.898 nan 8.380 nan 0.000 0.484 461 E N 0.689 120.773 120.200 -0.193 0.000 2.160 461 E HA -0.193 4.157 4.350 -0.000 0.000 0.180 461 E C -0.890 175.633 176.600 -0.127 0.000 1.452 461 E CA 0.660 56.886 56.400 -0.290 0.000 0.683 461 E CB -1.629 27.691 29.700 -0.633 0.000 1.072 461 E HN 0.366 nan 8.360 nan 0.000 0.332 462 S N 0.166 115.917 115.700 0.084 0.000 2.835 462 S HA 0.425 4.895 4.470 -0.000 0.000 0.248 462 S C 0.747 175.494 174.600 0.245 0.000 1.070 462 S CA -0.063 58.250 58.200 0.190 0.000 1.090 462 S CB 1.319 64.720 63.200 0.335 0.000 0.978 462 S HN 0.883 nan 8.310 nan 0.000 0.510 463 G N 1.946 110.818 108.800 0.121 0.000 2.574 463 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.282 463 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.282 463 G C -0.441 174.638 174.900 0.298 0.000 1.257 463 G CA 0.061 45.243 45.100 0.137 0.000 0.956 463 G HN 0.633 nan 8.290 nan 0.000 0.560 464 H N 0.687 119.860 119.070 0.171 0.000 3.092 464 H HA 0.550 5.106 4.556 -0.000 0.000 0.308 464 H C 0.205 175.658 175.328 0.209 0.000 1.047 464 H CA 0.153 56.330 56.048 0.215 0.000 1.466 464 H CB 0.470 30.310 29.762 0.130 0.000 1.597 464 H HN 1.089 nan 8.280 nan 0.000 0.512 465 G N 1.414 110.107 108.800 -0.178 0.000 2.537 465 G HA2 0.463 4.423 3.960 -0.000 0.000 0.308 465 G HA3 0.463 4.423 3.960 -0.000 0.000 0.308 465 G C 0.709 175.412 174.900 -0.328 0.000 1.237 465 G CA -0.144 44.802 45.100 -0.257 0.000 0.968 465 G HN 0.635 nan 8.290 nan 0.000 0.481 466 A N 0.867 123.568 122.820 -0.199 0.000 1.958 466 A HA -0.187 4.133 4.320 -0.000 0.000 0.221 466 A C 2.159 179.683 177.584 -0.100 0.000 1.178 466 A CA 2.258 54.224 52.037 -0.118 0.000 0.642 466 A CB -0.545 18.423 19.000 -0.053 0.000 0.816 466 A HN 0.591 nan 8.150 nan 0.000 0.453 467 N N -0.438 118.171 118.700 -0.152 0.000 2.348 467 N HA -0.155 4.585 4.740 -0.000 0.000 0.185 467 N C 1.308 176.706 175.510 -0.187 0.000 1.019 467 N CA 1.742 54.688 53.050 -0.172 0.000 0.880 467 N CB -0.766 37.604 38.487 -0.195 0.000 0.965 467 N HN 0.810 nan 8.380 nan 0.000 0.437 468 H N 0.188 119.179 119.070 -0.131 0.000 2.395 468 H HA 0.013 4.569 4.556 -0.000 0.000 0.299 468 H C 1.312 176.660 175.328 0.032 0.000 1.070 468 H CA 1.055 57.031 56.048 -0.120 0.000 1.356 468 H CB 0.217 29.852 29.762 -0.210 0.000 1.401 468 H HN 0.131 nan 8.280 nan 0.000 0.524 469 D N 0.535 121.039 120.400 0.172 0.000 2.087 469 D HA -0.182 4.458 4.640 -0.000 0.000 0.192 469 D C 2.363 178.800 176.300 0.228 0.000 0.993 469 D CA 1.275 55.417 54.000 0.237 0.000 0.828 469 D CB -0.592 40.312 40.800 0.174 0.000 0.968 469 D HN 0.388 nan 8.370 nan 0.000 0.448 470 A N 1.256 124.150 122.820 0.123 0.000 1.870 470 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 470 A C 2.499 180.159 177.584 0.127 0.000 1.224 470 A CA 1.817 53.911 52.037 0.096 0.000 0.650 470 A CB -1.178 17.840 19.000 0.030 0.000 0.836 470 A HN 0.289 nan 8.150 nan 0.000 0.454 471 L N -2.049 119.233 121.223 0.098 0.000 2.191 471 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 471 L C 2.588 179.585 176.870 0.212 0.000 1.103 471 L CA 1.626 56.533 54.840 0.111 0.000 0.769 471 L CB -0.674 41.394 42.059 0.015 0.000 0.908 471 L HN 0.671 nan 8.230 nan 0.000 0.438 472 Y N 0.694 121.064 120.300 0.116 0.000 2.133 472 Y HA -0.221 4.329 4.550 -0.000 0.000 0.287 472 Y C 2.839 178.815 175.900 0.127 0.000 1.134 472 Y CA 1.364 59.540 58.100 0.127 0.000 1.133 472 Y CB -0.251 38.287 38.460 0.129 0.000 0.987 472 Y HN -0.087 nan 8.280 nan 0.000 0.502 473 R N 0.121 120.576 120.500 -0.076 0.000 2.091 473 R HA -0.251 4.089 4.340 -0.000 0.000 0.238 473 R C 2.102 178.355 176.300 -0.078 0.000 1.136 473 R CA 1.951 57.961 56.100 -0.151 0.000 0.959 473 R CB -1.722 28.585 30.300 0.011 0.000 0.856 473 R HN 0.672 nan 8.270 nan 0.000 0.437 474 W N 1.201 122.429 121.300 -0.120 0.000 2.318 474 W HA -0.205 4.455 4.660 -0.000 0.000 0.313 474 W C 1.949 178.375 176.519 -0.156 0.000 1.221 474 W CA 1.974 59.250 57.345 -0.115 0.000 1.266 474 W CB -0.415 28.986 29.460 -0.099 0.000 1.150 474 W HN 0.040 nan 8.180 nan 0.000 0.496 475 I N 0.639 121.210 120.570 0.002 0.000 2.252 475 I HA -0.331 3.838 4.170 -0.000 0.000 0.245 475 I C 2.422 178.361 176.117 -0.296 0.000 1.102 475 I CA 1.284 62.460 61.300 -0.206 0.000 1.385 475 I CB -0.836 37.130 38.000 -0.056 0.000 1.064 475 I HN -0.084 nan 8.210 nan 0.000 0.414 476 K N 0.971 121.205 120.400 -0.276 0.000 2.044 476 K HA -0.134 4.186 4.320 -0.000 0.000 0.210 476 K C 2.259 178.718 176.600 -0.235 0.000 1.049 476 K CA 1.544 57.684 56.287 -0.246 0.000 0.927 476 K CB -0.731 31.588 32.500 -0.302 0.000 0.713 476 K HN 0.244 nan 8.250 nan 0.000 0.443 477 S N 0.944 116.469 115.700 -0.292 0.000 2.348 477 S HA -0.090 4.380 4.470 -0.000 0.000 0.221 477 S C 2.289 176.661 174.600 -0.380 0.000 1.033 477 S CA 1.308 59.330 58.200 -0.297 0.000 1.010 477 S CB -0.245 62.768 63.200 -0.311 0.000 0.891 477 S HN 0.034 nan 8.310 nan 0.000 0.442 478 V N 1.065 120.608 119.914 -0.617 0.000 2.407 478 V HA 0.013 4.133 4.120 -0.000 0.000 0.245 478 V C 0.561 176.413 176.094 -0.403 0.000 1.041 478 V CA 1.212 63.121 62.300 -0.652 0.000 1.040 478 V CB -0.231 30.863 31.823 -1.214 0.000 0.671 478 V HN 0.383 nan 8.190 nan 0.000 0.455 479 D N -0.202 119.999 120.400 -0.331 0.000 2.421 479 D HA 0.271 4.911 4.640 -0.000 0.000 0.254 479 D C -2.465 173.815 176.300 -0.034 0.000 1.238 479 D CA -1.937 51.984 54.000 -0.132 0.000 0.919 479 D CB 2.042 42.825 40.800 -0.029 0.000 1.152 479 D HN 0.144 nan 8.370 nan 0.000 0.552 480 P HA 0.129 nan 4.420 nan 0.000 0.269 480 P C 0.447 177.777 177.300 0.049 0.000 1.478 480 P CA -0.027 63.073 63.100 0.000 0.000 1.045 480 P CB 0.118 31.800 31.700 -0.029 0.000 1.512 481 S N -1.135 114.613 115.700 0.079 0.000 2.556 481 S HA 0.262 4.732 4.470 -0.000 0.000 0.216 481 S C 0.717 175.370 174.600 0.088 0.000 0.970 481 S CA -0.377 57.874 58.200 0.085 0.000 0.912 481 S CB -0.102 63.144 63.200 0.077 0.000 0.790 481 S HN 0.013 nan 8.310 nan 0.000 0.504 482 R N 1.158 121.727 120.500 0.115 0.000 2.548 482 R HA 0.474 4.814 4.340 -0.000 0.000 0.280 482 R C -3.256 173.127 176.300 0.138 0.000 1.061 482 R CA -1.826 54.318 56.100 0.073 0.000 0.915 482 R CB 1.691 31.980 30.300 -0.018 0.000 1.210 482 R HN 0.133 nan 8.270 nan 0.000 0.442 483 P HA 0.087 nan 4.420 nan 0.000 0.271 483 P C -0.708 176.721 177.300 0.217 0.000 1.233 483 P CA -0.367 62.820 63.100 0.144 0.000 0.789 483 P CB 0.652 32.409 31.700 0.095 0.000 0.951 484 V N 1.352 121.439 119.914 0.289 0.000 2.628 484 V HA 0.505 4.625 4.120 -0.000 0.000 0.306 484 V C -0.051 176.206 176.094 0.271 0.000 1.045 484 V CA -0.306 62.214 62.300 0.367 0.000 0.905 484 V CB 1.524 33.657 31.823 0.516 0.000 0.997 484 V HN 0.615 nan 8.190 nan 0.000 0.436 485 Q N 3.815 123.747 119.800 0.221 0.000 2.345 485 Q HA 0.653 4.993 4.340 -0.000 0.000 0.275 485 Q C -2.336 173.765 176.000 0.168 0.000 1.063 485 Q CA -0.720 55.158 55.803 0.125 0.000 0.819 485 Q CB 2.807 31.582 28.738 0.062 0.000 1.356 485 Q HN 0.763 nan 8.270 nan 0.000 0.418 486 Y N 1.789 122.046 120.300 -0.073 0.000 2.436 486 Y HA 0.209 4.759 4.550 -0.000 0.000 0.327 486 Y C -0.148 175.662 175.900 -0.151 0.000 1.138 486 Y CA -0.530 57.502 58.100 -0.114 0.000 1.042 486 Y CB 2.207 40.593 38.460 -0.124 0.000 1.302 486 Y HN 0.879 nan 8.280 nan 0.000 0.439 487 E N 3.604 123.315 120.200 -0.815 0.000 2.051 487 E HA 0.081 4.431 4.350 -0.000 0.000 0.189 487 E C 0.853 177.038 176.600 -0.691 0.000 0.979 487 E CA 0.905 56.922 56.400 -0.639 0.000 0.803 487 E CB -0.058 29.327 29.700 -0.526 0.000 0.761 487 E HN 0.940 nan 8.360 nan 0.000 0.451 488 G N -0.531 107.531 108.800 -1.231 0.000 2.707 488 G HA2 0.098 4.058 3.960 -0.000 0.000 0.231 488 G HA3 0.098 4.058 3.960 -0.000 0.000 0.231 488 G C 0.876 175.635 174.900 -0.234 0.000 1.246 488 G CA 0.534 45.233 45.100 -0.669 0.000 0.852 488 G HN 0.441 nan 8.290 nan 0.000 0.584 489 G N -0.944 107.816 108.800 -0.066 0.000 2.175 489 G HA2 0.175 4.135 3.960 -0.000 0.000 0.265 489 G HA3 0.175 4.135 3.960 -0.000 0.000 0.265 489 G C 1.368 176.250 174.900 -0.029 0.000 0.979 489 G CA 1.286 46.398 45.100 0.020 0.000 0.663 489 G HN 2.619 nan 8.290 nan 0.000 0.533 490 G N -1.972 106.803 108.800 -0.042 0.000 2.370 490 G HA2 0.467 4.427 3.960 -0.000 0.000 0.174 490 G HA3 0.467 4.427 3.960 -0.000 0.000 0.174 490 G C 0.931 175.921 174.900 0.150 0.000 1.002 490 G CA 1.309 46.442 45.100 0.056 0.000 0.730 490 G HN 2.252 nan 8.290 nan 0.000 0.497 491 A N 0.041 122.851 122.820 -0.017 0.000 4.159 491 A HA -0.212 4.108 4.320 -0.000 0.000 0.263 491 A C 1.236 178.778 177.584 -0.070 0.000 0.889 491 A CA 2.739 54.735 52.037 -0.067 0.000 1.227 491 A CB -1.809 17.169 19.000 -0.036 0.000 1.051 491 A HN 1.907 nan 8.150 nan 0.000 0.820 492 D N -0.417 120.023 120.400 0.067 0.000 2.535 492 D HA 0.321 4.961 4.640 -0.000 0.000 0.229 492 D C 0.684 176.969 176.300 -0.024 0.000 1.238 492 D CA 0.936 54.963 54.000 0.046 0.000 0.824 492 D CB -1.070 39.892 40.800 0.270 0.000 1.045 492 D HN 0.905 nan 8.370 nan 0.000 0.500 493 T N -2.150 112.336 114.554 -0.113 0.000 2.663 493 T HA 0.040 4.390 4.350 -0.000 0.000 0.325 493 T C 1.671 176.257 174.700 -0.190 0.000 1.059 493 T CA 0.606 62.572 62.100 -0.224 0.000 1.039 493 T CB 0.947 69.498 68.868 -0.528 0.000 0.996 493 T HN 0.139 nan 8.240 nan 0.000 0.539 494 T N -2.105 112.344 114.554 -0.174 0.000 3.051 494 T HA 0.101 4.451 4.350 -0.000 0.000 0.269 494 T C 1.656 176.192 174.700 -0.273 0.000 1.127 494 T CA 0.566 62.601 62.100 -0.109 0.000 1.107 494 T CB -0.697 68.184 68.868 0.021 0.000 0.898 494 T HN 0.875 nan 8.240 nan 0.000 0.517 495 A N 0.303 122.961 122.820 -0.270 0.000 2.370 495 A HA 0.492 4.812 4.320 -0.000 0.000 0.238 495 A C 0.886 178.074 177.584 -0.660 0.000 1.289 495 A CA 0.023 51.763 52.037 -0.494 0.000 0.885 495 A CB -0.297 18.714 19.000 0.019 0.000 0.961 495 A HN 0.520 nan 8.150 nan 0.000 0.499 496 T N -1.876 112.363 114.554 -0.526 0.000 2.956 496 T HA 0.373 4.723 4.350 -0.000 0.000 0.312 496 T C -0.756 173.856 174.700 -0.146 0.000 1.151 496 T CA -0.473 61.475 62.100 -0.254 0.000 1.024 496 T CB 1.320 70.124 68.868 -0.106 0.000 1.140 496 T HN 0.067 nan 8.240 nan 0.000 0.473 497 D N 2.422 122.827 120.400 0.008 0.000 2.346 497 D HA 0.275 4.915 4.640 -0.000 0.000 0.206 497 D C 0.351 176.652 176.300 0.001 0.000 1.001 497 D CA 0.664 54.696 54.000 0.054 0.000 0.871 497 D CB 0.507 41.389 40.800 0.136 0.000 0.943 497 D HN 0.527 nan 8.370 nan 0.000 0.518 498 I N 1.481 122.033 120.570 -0.029 0.000 2.466 498 I HA 0.228 4.398 4.170 -0.000 0.000 0.289 498 I C -0.104 175.933 176.117 -0.132 0.000 1.026 498 I CA -0.820 60.437 61.300 -0.072 0.000 1.078 498 I CB 2.648 40.617 38.000 -0.052 0.000 1.249 498 I HN -0.325 nan 8.210 nan 0.000 0.429 499 I N 5.922 126.373 120.570 -0.198 0.000 2.664 499 I HA 0.000 4.170 4.170 -0.000 0.000 0.284 499 I C 0.145 176.054 176.117 -0.347 0.000 1.154 499 I CA 0.057 61.159 61.300 -0.330 0.000 1.402 499 I CB -0.164 37.530 38.000 -0.511 0.000 1.395 499 I HN 0.671 nan 8.210 nan 0.000 0.545 500 C N 5.726 124.839 119.300 -0.311 0.000 3.414 500 C HA 0.446 4.906 4.460 -0.000 0.000 0.208 500 C C -1.988 172.854 174.990 -0.247 0.000 1.422 500 C CA -2.274 56.596 59.018 -0.247 0.000 1.437 500 C CB -0.805 26.841 27.740 -0.157 0.000 1.850 500 C HN 0.473 nan 8.230 nan 0.000 0.481 501 P HA 0.286 nan 4.420 nan 0.000 0.273 501 P C -0.439 176.785 177.300 -0.127 0.000 1.250 501 P CA 0.304 63.300 63.100 -0.174 0.000 0.793 501 P CB 0.728 32.354 31.700 -0.123 0.000 1.011 502 M N 0.129 119.666 119.600 -0.105 0.000 2.181 502 M HA 0.434 4.914 4.480 -0.000 0.000 0.323 502 M C -0.876 175.336 176.300 -0.145 0.000 1.004 502 M CA -0.726 54.401 55.300 -0.289 0.000 0.941 502 M CB 1.092 33.474 32.600 -0.364 0.000 1.579 502 M HN 0.252 nan 8.290 nan 0.000 0.427 503 Y N -0.198 120.246 120.300 0.241 0.000 3.825 503 Y HA -0.202 4.348 4.550 -0.000 0.000 0.221 503 Y C 0.382 176.442 175.900 0.266 0.000 1.195 503 Y CA 0.474 58.726 58.100 0.253 0.000 1.699 503 Y CB -2.581 35.998 38.460 0.198 0.000 1.531 503 Y HN 0.952 nan 8.280 nan 0.000 0.640 504 A N 0.887 123.907 122.820 0.333 0.000 2.388 504 A HA 0.628 4.947 4.320 -0.000 0.000 0.257 504 A C 0.755 178.557 177.584 0.365 0.000 1.095 504 A CA -0.631 51.614 52.037 0.346 0.000 0.791 504 A CB 0.437 19.655 19.000 0.363 0.000 1.029 504 A HN 0.413 nan 8.150 nan 0.000 0.489 505 R N 1.466 122.119 120.500 0.256 0.000 2.560 505 R HA 0.307 4.647 4.340 -0.000 0.000 0.270 505 R C 0.888 177.217 176.300 0.047 0.000 1.074 505 R CA -0.732 55.463 56.100 0.159 0.000 1.140 505 R CB 0.671 31.020 30.300 0.083 0.000 1.073 505 R HN 0.466 nan 8.270 nan 0.000 0.527 506 V N 0.779 120.583 119.914 -0.184 0.000 2.358 506 V HA -0.196 3.924 4.120 -0.000 0.000 0.246 506 V C 0.833 176.843 176.094 -0.139 0.000 1.047 506 V CA 1.919 64.054 62.300 -0.274 0.000 1.035 506 V CB -0.284 31.238 31.823 -0.502 0.000 0.658 506 V HN 0.782 nan 8.190 nan 0.000 0.452 507 D N -2.232 118.116 120.400 -0.086 0.000 2.449 507 D HA 0.131 4.771 4.640 -0.000 0.000 0.255 507 D C 0.821 177.119 176.300 -0.004 0.000 1.121 507 D CA -0.044 53.930 54.000 -0.044 0.000 0.830 507 D CB 1.020 41.792 40.800 -0.047 0.000 1.280 507 D HN 0.428 nan 8.370 nan 0.000 0.522 508 E N 1.295 121.495 120.200 -0.000 0.000 2.319 508 E HA 0.144 4.494 4.350 -0.000 0.000 0.268 508 E C -0.877 175.731 176.600 0.014 0.000 1.050 508 E CA -0.380 56.023 56.400 0.005 0.000 0.878 508 E CB 1.093 30.793 29.700 -0.001 0.000 1.066 508 E HN -0.146 nan 8.360 nan 0.000 0.406 509 D N 2.344 122.737 120.400 -0.011 0.000 2.198 509 D HA 0.188 4.828 4.640 -0.000 0.000 0.247 509 D C -0.804 175.372 176.300 -0.208 0.000 1.010 509 D CA -0.235 53.737 54.000 -0.047 0.000 0.880 509 D CB 1.524 42.353 40.800 0.049 0.000 1.209 509 D HN 0.316 nan 8.370 nan 0.000 0.451 510 Q N 1.372 120.944 119.800 -0.380 0.000 2.907 510 Q HA 0.256 4.596 4.340 -0.000 0.000 0.262 510 Q C -2.197 173.158 176.000 -1.075 0.000 0.997 510 Q CA -1.639 53.740 55.803 -0.707 0.000 0.797 510 Q CB 1.698 30.072 28.738 -0.607 0.000 1.228 510 Q HN 0.089 nan 8.270 nan 0.000 0.466 511 P HA -0.110 nan 4.420 nan 0.000 0.272 511 P C -0.675 176.314 177.300 -0.518 0.000 1.542 511 P CA 0.252 62.975 63.100 -0.629 0.000 0.846 511 P CB -0.673 30.817 31.700 -0.349 0.000 1.782 512 F N 2.085 121.870 119.950 -0.274 0.000 2.602 512 F HA 0.123 4.650 4.527 -0.000 0.000 0.367 512 F C -1.276 174.414 175.800 -0.185 0.000 1.126 512 F CA -2.200 55.688 58.000 -0.187 0.000 1.321 512 F CB -0.914 37.986 39.000 -0.166 0.000 1.094 512 F HN 0.051 nan 8.300 nan 0.000 0.594 513 P HA 0.289 nan 4.420 nan 0.000 0.276 513 P C 0.236 177.551 177.300 0.025 0.000 1.230 513 P CA 0.735 63.849 63.100 0.024 0.000 0.776 513 P CB 1.410 33.126 31.700 0.026 0.000 0.888 514 A N 3.303 126.127 122.820 0.006 0.000 2.079 514 A HA -0.237 4.083 4.320 -0.000 0.000 0.230 514 A C 0.722 178.306 177.584 0.000 0.000 0.537 514 A CA 1.876 53.919 52.037 0.009 0.000 1.134 514 A CB -2.719 16.287 19.000 0.010 0.000 1.423 514 A HN 0.644 nan 8.150 nan 0.000 0.706 515 V N -2.888 117.023 119.914 -0.005 0.000 2.572 515 V HA 0.570 4.690 4.120 -0.000 0.000 0.274 515 V C -2.696 173.386 176.094 -0.021 0.000 1.075 515 V CA -1.400 60.889 62.300 -0.018 0.000 1.237 515 V CB 0.355 32.157 31.823 -0.035 0.000 1.517 515 V HN 0.383 nan 8.190 nan 0.000 0.616 516 P HA 0.279 nan 4.420 nan 0.000 0.269 516 P C -0.519 176.379 177.300 -0.669 0.000 1.209 516 P CA 0.337 63.141 63.100 -0.493 0.000 0.776 516 P CB 0.562 31.613 31.700 -1.082 0.000 0.876 517 K N 2.634 122.731 120.400 -0.505 0.000 2.367 517 K HA 0.272 4.592 4.320 -0.000 0.000 0.263 517 K C -0.598 175.686 176.600 -0.528 0.000 1.000 517 K CA -0.392 55.691 56.287 -0.340 0.000 0.891 517 K CB 0.870 33.472 32.500 0.171 0.000 1.117 517 K HN 0.449 nan 8.250 nan 0.000 0.443 518 W N 1.268 122.334 121.300 -0.391 0.000 2.086 518 W HA 0.085 4.745 4.660 -0.000 0.000 0.355 518 W C 1.198 177.750 176.519 0.055 0.000 1.313 518 W CA -0.665 56.529 57.345 -0.253 0.000 1.358 518 W CB 0.519 29.673 29.460 -0.509 0.000 1.166 518 W HN 0.450 nan 8.180 nan 0.000 0.630 519 S N 3.421 119.314 115.700 0.322 0.000 2.515 519 S HA -0.048 4.422 4.470 -0.000 0.000 0.285 519 S C 1.352 176.126 174.600 0.291 0.000 1.265 519 S CA -0.187 58.142 58.200 0.215 0.000 1.079 519 S CB -0.187 63.074 63.200 0.102 0.000 0.877 519 S HN 0.576 nan 8.310 nan 0.000 0.493 520 I N 2.497 123.232 120.570 0.275 0.000 2.147 520 I HA -0.329 3.841 4.170 -0.000 0.000 0.245 520 I C 2.086 178.287 176.117 0.140 0.000 1.059 520 I CA 1.832 63.281 61.300 0.249 0.000 1.320 520 I CB -0.613 37.465 38.000 0.131 0.000 1.021 520 I HN 0.652 nan 8.210 nan 0.000 0.415 521 K N 1.334 121.724 120.400 -0.017 0.000 2.009 521 K HA -0.247 4.073 4.320 -0.000 0.000 0.210 521 K C 2.304 178.938 176.600 0.057 0.000 1.049 521 K CA 2.435 58.647 56.287 -0.125 0.000 0.929 521 K CB -0.286 32.077 32.500 -0.228 0.000 0.714 521 K HN 0.507 nan 8.250 nan 0.000 0.440 522 K N 0.193 120.638 120.400 0.075 0.000 2.097 522 K HA -0.192 4.128 4.320 -0.000 0.000 0.205 522 K C 1.978 178.599 176.600 0.036 0.000 1.050 522 K CA 1.047 57.353 56.287 0.032 0.000 0.938 522 K CB -0.197 32.300 32.500 -0.004 0.000 0.718 522 K HN 0.204 nan 8.250 nan 0.000 0.442 523 W N 2.013 123.288 121.300 -0.041 0.000 2.318 523 W HA -0.181 4.479 4.660 -0.000 0.000 0.313 523 W C 1.544 178.029 176.519 -0.056 0.000 1.221 523 W CA 1.387 58.706 57.345 -0.044 0.000 1.266 523 W CB -0.661 28.872 29.460 0.121 0.000 1.150 523 W HN 0.109 nan 8.180 nan 0.000 0.496 524 L N 0.961 122.332 121.223 0.247 0.000 2.261 524 L HA -0.219 4.121 4.340 -0.000 0.000 0.216 524 L C 2.299 179.229 176.870 0.099 0.000 1.114 524 L CA 1.747 56.671 54.840 0.140 0.000 0.777 524 L CB -1.010 41.121 42.059 0.120 0.000 0.910 524 L HN 0.028 nan 8.230 nan 0.000 0.440 525 S N -1.464 114.277 115.700 0.070 0.000 2.539 525 S HA 0.231 4.701 4.470 -0.000 0.000 0.221 525 S C 0.696 175.272 174.600 -0.040 0.000 0.987 525 S CA -0.578 57.632 58.200 0.016 0.000 0.929 525 S CB -0.172 63.037 63.200 0.015 0.000 0.832 525 S HN 0.170 nan 8.310 nan 0.000 0.492 526 L N 1.971 123.150 121.223 -0.073 0.000 2.536 526 L HA 0.183 4.523 4.340 -0.000 0.000 0.294 526 L C -2.290 174.536 176.870 -0.073 0.000 1.257 526 L CA -1.269 53.480 54.840 -0.151 0.000 0.850 526 L CB -0.423 41.520 42.059 -0.194 0.000 1.105 526 L HN 0.074 nan 8.230 nan 0.000 0.517 527 P HA 0.083 nan 4.420 nan 0.000 0.265 527 P C 0.673 177.958 177.300 -0.025 0.000 1.222 527 P CA 0.771 63.841 63.100 -0.049 0.000 0.767 527 P CB 0.786 32.453 31.700 -0.055 0.000 0.801 528 G N 2.056 110.850 108.800 -0.009 0.000 2.232 528 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.226 528 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.226 528 G C 0.306 175.216 174.900 0.017 0.000 0.996 528 G CA -0.411 44.692 45.100 0.005 0.000 0.626 528 G HN 0.503 nan 8.290 nan 0.000 0.509 529 E N 1.098 121.312 120.200 0.024 0.000 2.373 529 E HA 0.558 4.908 4.350 -0.000 0.000 0.267 529 E C 1.435 178.051 176.600 0.027 0.000 1.032 529 E CA 0.745 57.170 56.400 0.042 0.000 0.889 529 E CB 1.073 30.823 29.700 0.082 0.000 0.984 529 E HN 0.650 nan 8.360 nan 0.000 0.425 530 T N -0.414 114.152 114.554 0.020 0.000 3.131 530 T HA 0.237 4.587 4.350 -0.000 0.000 0.283 530 T C 0.511 175.211 174.700 0.000 0.000 0.906 530 T CA -0.439 61.667 62.100 0.011 0.000 0.882 530 T CB 0.205 69.080 68.868 0.012 0.000 1.208 530 T HN 0.288 nan 8.240 nan 0.000 0.561 531 R N 2.179 122.674 120.500 -0.009 0.000 2.649 531 R HA 0.552 4.892 4.340 -0.000 0.000 0.270 531 R C -2.691 173.578 176.300 -0.051 0.000 1.105 531 R CA -1.809 54.275 56.100 -0.028 0.000 1.193 531 R CB -0.502 29.776 30.300 -0.038 0.000 1.120 531 R HN 0.187 nan 8.270 nan 0.000 0.561 532 P HA 0.142 nan 4.420 nan 0.000 0.279 532 P C -1.227 175.989 177.300 -0.139 0.000 1.252 532 P CA -0.590 62.458 63.100 -0.086 0.000 0.811 532 P CB 0.714 32.364 31.700 -0.083 0.000 1.035 533 L N 1.792 122.914 121.223 -0.169 0.000 2.313 533 L HA 0.667 5.007 4.340 -0.000 0.000 0.283 533 L C -1.148 175.557 176.870 -0.275 0.000 1.013 533 L CA -0.180 54.517 54.840 -0.239 0.000 0.816 533 L CB 0.691 42.560 42.059 -0.317 0.000 1.236 533 L HN 0.190 nan 8.230 nan 0.000 0.419 534 I N 5.582 125.992 120.570 -0.268 0.000 2.503 534 I HA 0.291 4.461 4.170 -0.000 0.000 0.282 534 I C -0.735 175.252 176.117 -0.217 0.000 1.059 534 I CA -0.477 60.650 61.300 -0.289 0.000 1.081 534 I CB 1.792 39.665 38.000 -0.213 0.000 1.210 534 I HN 0.577 nan 8.210 nan 0.000 0.450 535 L N 5.420 126.477 121.223 -0.277 0.000 2.584 535 L HA -0.030 4.310 4.340 -0.000 0.000 0.272 535 L C 1.575 178.457 176.870 0.020 0.000 1.195 535 L CA -0.064 54.678 54.840 -0.163 0.000 0.920 535 L CB 0.447 42.388 42.059 -0.197 0.000 1.173 535 L HN 0.888 nan 8.230 nan 0.000 0.489 536 C N 0.634 119.945 119.300 0.019 0.000 2.481 536 C HA 0.140 4.600 4.460 -0.000 0.000 0.275 536 C C 0.689 175.800 174.990 0.201 0.000 1.419 536 C CA -0.255 58.837 59.018 0.124 0.000 1.773 536 C CB -0.999 26.723 27.740 -0.031 0.000 1.862 536 C HN 0.834 nan 8.230 nan 0.000 0.530 537 E N -0.250 119.990 120.200 0.068 0.000 2.334 537 E HA 0.483 4.833 4.350 -0.000 0.000 0.280 537 E C -1.349 175.168 176.600 -0.138 0.000 0.899 537 E CA -0.280 56.126 56.400 0.010 0.000 0.813 537 E CB 1.511 31.022 29.700 -0.315 0.000 1.318 537 E HN 0.605 nan 8.360 nan 0.000 0.399 538 Y N 0.105 120.429 120.300 0.041 0.000 2.615 538 Y HA 0.721 5.271 4.550 -0.000 0.000 0.341 538 Y C -0.341 175.791 175.900 0.387 0.000 1.089 538 Y CA -1.267 56.903 58.100 0.115 0.000 1.049 538 Y CB 0.923 39.262 38.460 -0.201 0.000 1.296 538 Y HN 0.552 nan 8.280 nan 0.000 0.470 539 A N 2.254 125.163 122.820 0.149 0.000 2.237 539 A HA -0.250 4.070 4.320 -0.000 0.000 0.281 539 A C -0.195 177.501 177.584 0.187 0.000 1.414 539 A CA 0.879 52.992 52.037 0.126 0.000 0.733 539 A CB -2.617 16.411 19.000 0.047 0.000 1.168 539 A HN 1.199 nan 8.150 nan 0.000 0.347 540 H N 1.286 120.458 119.070 0.169 0.000 3.524 540 H HA 0.229 4.785 4.556 -0.000 0.000 0.242 540 H C 1.349 176.698 175.328 0.035 0.000 1.328 540 H CA 0.753 56.878 56.048 0.129 0.000 1.534 540 H CB -0.156 29.492 29.762 -0.190 0.000 1.689 540 H HN 0.900 nan 8.280 nan 0.000 0.537 541 A N 5.725 128.414 122.820 -0.220 0.000 2.004 541 A HA -0.105 4.215 4.320 -0.000 0.000 0.212 541 A C 1.307 178.693 177.584 -0.330 0.000 1.442 541 A CA 0.012 51.886 52.037 -0.271 0.000 1.450 541 A CB -0.922 17.909 19.000 -0.283 0.000 0.749 541 A HN 0.795 nan 8.150 nan 0.000 0.591 542 M N 1.261 120.664 119.600 -0.328 0.000 2.869 542 M HA 0.315 4.795 4.480 -0.000 0.000 0.299 542 M C 1.280 177.397 176.300 -0.305 0.000 1.508 542 M CA 1.128 56.269 55.300 -0.265 0.000 1.551 542 M CB -0.891 31.658 32.600 -0.085 0.000 1.384 542 M HN 0.799 nan 8.290 nan 0.000 0.491 543 G N 3.511 112.107 108.800 -0.339 0.000 2.557 543 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.292 543 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.292 543 G C -0.015 174.367 174.900 -0.864 0.000 1.162 543 G CA 0.130 44.869 45.100 -0.603 0.000 0.964 543 G HN 0.691 nan 8.290 nan 0.000 0.541 544 N N 1.973 120.059 118.700 -1.022 0.000 2.555 544 N HA 0.601 5.341 4.740 -0.000 0.000 0.244 544 N C -0.199 175.047 175.510 -0.439 0.000 1.114 544 N CA 0.891 53.490 53.050 -0.751 0.000 0.963 544 N CB 0.428 38.533 38.487 -0.637 0.000 1.276 544 N HN 0.625 nan 8.380 nan 0.000 0.510 545 S N 1.138 116.643 115.700 -0.324 0.000 2.973 545 S HA 0.577 5.047 4.470 -0.000 0.000 0.317 545 S C -0.532 173.967 174.600 -0.168 0.000 1.196 545 S CA -0.462 57.605 58.200 -0.222 0.000 0.894 545 S CB 0.528 63.619 63.200 -0.182 0.000 1.292 545 S HN 0.376 nan 8.310 nan 0.000 0.614 546 L N 0.304 121.461 121.223 -0.110 0.000 4.021 546 L HA -0.048 4.292 4.340 -0.000 0.000 0.400 546 L C 0.253 177.135 176.870 0.020 0.000 1.180 546 L CA 0.756 55.559 54.840 -0.063 0.000 0.904 546 L CB -1.633 40.295 42.059 -0.219 0.000 2.111 546 L HN 0.693 nan 8.230 nan 0.000 0.722 547 G N -0.918 107.875 108.800 -0.011 0.000 2.355 547 G HA2 0.538 4.498 3.960 -0.000 0.000 0.276 547 G HA3 0.538 4.498 3.960 -0.000 0.000 0.276 547 G C 1.148 176.072 174.900 0.039 0.000 1.198 547 G CA 0.201 45.276 45.100 -0.042 0.000 0.876 547 G HN 1.311 nan 8.290 nan 0.000 0.478 548 G N 1.851 110.675 108.800 0.040 0.000 2.176 548 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.232 548 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.232 548 G C 1.086 176.136 174.900 0.250 0.000 0.986 548 G CA 0.641 45.801 45.100 0.099 0.000 0.643 548 G HN 0.705 nan 8.290 nan 0.000 0.522 549 F N 2.044 122.093 119.950 0.165 0.000 2.085 549 F HA -0.072 4.455 4.527 -0.000 0.000 0.299 549 F C 2.829 178.813 175.800 0.306 0.000 1.096 549 F CA 2.792 60.965 58.000 0.288 0.000 1.227 549 F CB -0.728 38.382 39.000 0.183 0.000 0.983 549 F HN 0.441 nan 8.300 nan 0.000 0.482 550 A N -0.600 122.387 122.820 0.278 0.000 1.958 550 A HA -0.298 4.022 4.320 -0.000 0.000 0.221 550 A C 2.349 179.955 177.584 0.037 0.000 1.178 550 A CA 2.082 54.212 52.037 0.154 0.000 0.642 550 A CB -0.831 18.266 19.000 0.161 0.000 0.816 550 A HN 0.465 nan 8.150 nan 0.000 0.453 551 K N -1.856 118.537 120.400 -0.013 0.000 2.057 551 K HA -0.163 4.157 4.320 -0.000 0.000 0.207 551 K C 1.838 178.208 176.600 -0.385 0.000 1.049 551 K CA 1.673 57.861 56.287 -0.164 0.000 0.931 551 K CB -0.317 32.075 32.500 -0.179 0.000 0.714 551 K HN 0.578 nan 8.250 nan 0.000 0.440 552 Y N -0.385 119.648 120.300 -0.446 0.000 2.049 552 Y HA -0.277 4.273 4.550 -0.000 0.000 0.277 552 Y C 2.054 177.037 175.900 -1.528 0.000 1.143 552 Y CA 1.794 59.254 58.100 -1.067 0.000 1.115 552 Y CB -0.779 37.040 38.460 -1.069 0.000 0.975 552 Y HN 0.191 nan 8.280 nan 0.000 0.487 553 W N 0.218 121.056 121.300 -0.770 0.000 2.359 553 W HA -0.198 4.462 4.660 -0.000 0.000 0.275 553 W C 2.518 178.861 176.519 -0.294 0.000 1.217 553 W CA 1.581 58.630 57.345 -0.492 0.000 1.196 553 W CB -0.575 28.693 29.460 -0.319 0.000 1.129 553 W HN 0.193 nan 8.180 nan 0.000 0.566 554 Q N -0.330 119.368 119.800 -0.169 0.000 2.123 554 Q HA -0.104 4.236 4.340 -0.000 0.000 0.199 554 Q C 2.332 178.274 176.000 -0.097 0.000 0.966 554 Q CA 1.527 57.281 55.803 -0.081 0.000 0.845 554 Q CB -0.227 28.477 28.738 -0.057 0.000 0.907 554 Q HN 0.279 nan 8.270 nan 0.000 0.439 555 A N 0.277 122.952 122.820 -0.242 0.000 1.897 555 A HA -0.124 4.196 4.320 -0.000 0.000 0.215 555 A C 1.674 179.227 177.584 -0.051 0.000 1.181 555 A CA 0.761 52.679 52.037 -0.198 0.000 0.620 555 A CB -0.656 18.119 19.000 -0.374 0.000 0.821 555 A HN 0.315 nan 8.150 nan 0.000 0.443 556 F N 0.707 120.490 119.950 -0.278 0.000 2.043 556 F HA -0.203 4.324 4.527 -0.000 0.000 0.297 556 F C 2.462 178.169 175.800 -0.155 0.000 1.118 556 F CA 1.560 59.359 58.000 -0.334 0.000 1.202 556 F CB -1.074 37.509 39.000 -0.695 0.000 0.965 556 F HN 0.217 nan 8.300 nan 0.000 0.482 557 R N -0.051 120.509 120.500 0.101 0.000 2.285 557 R HA -0.130 4.210 4.340 -0.000 0.000 0.213 557 R C 1.949 178.297 176.300 0.080 0.000 1.068 557 R CA 0.818 56.967 56.100 0.081 0.000 1.004 557 R CB -0.411 29.932 30.300 0.070 0.000 0.873 557 R HN 0.482 nan 8.270 nan 0.000 0.467 558 Q N -0.287 119.598 119.800 0.141 0.000 2.349 558 Q HA 0.030 4.370 4.340 -0.000 0.000 0.209 558 Q C -0.479 175.616 176.000 0.158 0.000 0.920 558 Q CA 0.496 56.398 55.803 0.164 0.000 0.901 558 Q CB 0.573 29.463 28.738 0.255 0.000 1.021 558 Q HN 0.168 nan 8.270 nan 0.000 0.519 559 Y N 0.122 120.410 120.300 -0.019 0.000 2.331 559 Y HA 0.280 4.830 4.550 -0.000 0.000 0.338 559 Y C -1.767 174.111 175.900 -0.037 0.000 0.992 559 Y CA -2.812 55.274 58.100 -0.022 0.000 1.121 559 Y CB 1.477 39.928 38.460 -0.014 0.000 1.184 559 Y HN 0.085 nan 8.280 nan 0.000 0.469 560 P HA -0.131 nan 4.420 nan 0.000 0.215 560 P C 0.950 178.252 177.300 0.004 0.000 1.157 560 P CA 1.763 64.867 63.100 0.007 0.000 0.868 560 P CB 0.334 32.019 31.700 -0.025 0.000 0.788 561 R N -0.972 119.547 120.500 0.032 0.000 2.313 561 R HA 0.134 4.474 4.340 -0.000 0.000 0.199 561 R C 0.380 176.651 176.300 -0.050 0.000 0.958 561 R CA 0.100 56.194 56.100 -0.009 0.000 1.047 561 R CB -0.446 29.856 30.300 0.004 0.000 0.955 561 R HN 0.276 nan 8.270 nan 0.000 0.481 562 L N 1.975 123.182 121.223 -0.026 0.000 2.268 562 L HA 0.159 4.499 4.340 -0.000 0.000 0.289 562 L C 0.864 177.558 176.870 -0.292 0.000 1.064 562 L CA 0.017 54.778 54.840 -0.132 0.000 0.824 562 L CB 1.271 43.332 42.059 0.003 0.000 1.202 562 L HN 0.052 nan 8.230 nan 0.000 0.433 563 Q N 2.709 122.260 119.800 -0.416 0.000 2.247 563 Q HA 0.338 4.678 4.340 -0.000 0.000 0.204 563 Q C 0.826 176.394 176.000 -0.720 0.000 0.872 563 Q CA 0.170 55.703 55.803 -0.449 0.000 0.951 563 Q CB 1.151 29.730 28.738 -0.265 0.000 1.099 563 Q HN 0.954 nan 8.270 nan 0.000 0.501 564 G N -0.200 107.791 108.800 -1.348 0.000 2.265 564 G HA2 0.244 4.204 3.960 -0.000 0.000 0.246 564 G HA3 0.244 4.204 3.960 -0.000 0.000 0.246 564 G C -0.775 173.250 174.900 -1.459 0.000 1.299 564 G CA -0.695 43.327 45.100 -1.798 0.000 1.117 564 G HN 0.436 nan 8.290 nan 0.000 0.485 565 G N -1.863 106.370 108.800 -0.945 0.000 2.523 565 G HA2 0.656 4.616 3.960 -0.000 0.000 0.291 565 G HA3 0.656 4.616 3.960 -0.000 0.000 0.291 565 G C -1.888 172.885 174.900 -0.211 0.000 1.450 565 G CA -0.563 44.181 45.100 -0.593 0.000 0.790 565 G HN 0.938 nan 8.290 nan 0.000 0.496 566 F N 0.829 120.982 119.950 0.338 0.000 2.388 566 F HA 0.495 5.022 4.527 -0.000 0.000 0.358 566 F C 0.838 176.955 175.800 0.529 0.000 1.122 566 F CA -0.609 57.633 58.000 0.403 0.000 1.056 566 F CB 2.006 41.153 39.000 0.246 0.000 1.155 566 F HN 0.216 nan 8.300 nan 0.000 0.461 567 V N 3.610 123.849 119.914 0.542 0.000 2.843 567 V HA -0.093 4.027 4.120 -0.000 0.000 0.305 567 V C -0.233 176.038 176.094 0.295 0.000 1.065 567 V CA -0.494 61.954 62.300 0.247 0.000 1.116 567 V CB 0.884 32.830 31.823 0.204 0.000 0.968 567 V HN 0.743 nan 8.190 nan 0.000 0.487 568 W N 6.276 127.679 121.300 0.171 0.000 2.294 568 W HA 0.422 5.082 4.660 -0.000 0.000 0.314 568 W C -0.794 175.748 176.519 0.039 0.000 1.044 568 W CA -0.626 56.851 57.345 0.221 0.000 1.284 568 W CB 1.369 31.126 29.460 0.495 0.000 1.231 568 W HN 0.900 nan 8.180 nan 0.000 0.419 569 D N 3.045 123.003 120.400 -0.736 0.000 2.781 569 D HA 0.109 4.749 4.640 -0.000 0.000 0.295 569 D C 0.608 176.668 176.300 -0.400 0.000 1.143 569 D CA -0.540 52.917 54.000 -0.904 0.000 1.076 569 D CB 0.374 40.048 40.800 -1.877 0.000 1.444 569 D HN 0.485 nan 8.370 nan 0.000 0.567 570 W N 0.562 121.552 121.300 -0.516 0.000 2.418 570 W HA 0.083 4.743 4.660 -0.000 0.000 0.319 570 W C -0.170 176.124 176.519 -0.375 0.000 1.183 570 W CA 0.813 57.913 57.345 -0.408 0.000 1.327 570 W CB 0.295 29.552 29.460 -0.337 0.000 1.163 570 W HN 0.147 nan 8.180 nan 0.000 0.479 571 V N 1.587 121.287 119.914 -0.357 0.000 2.715 571 V HA 0.283 4.403 4.120 -0.000 0.000 0.310 571 V C -0.368 175.498 176.094 -0.379 0.000 1.054 571 V CA -1.050 60.980 62.300 -0.450 0.000 0.928 571 V CB 1.404 33.082 31.823 -0.242 0.000 1.007 571 V HN -0.093 nan 8.190 nan 0.000 0.437 572 D N 1.916 122.092 120.400 -0.374 0.000 2.341 572 D HA 0.192 4.832 4.640 -0.000 0.000 0.245 572 D C -0.114 175.966 176.300 -0.366 0.000 1.106 572 D CA 0.149 53.967 54.000 -0.304 0.000 0.905 572 D CB 1.363 42.057 40.800 -0.177 0.000 1.202 572 D HN 0.593 nan 8.370 nan 0.000 0.426 573 Q N 1.003 120.580 119.800 -0.371 0.000 2.771 573 Q HA 0.215 4.555 4.340 -0.000 0.000 0.239 573 Q C -0.581 175.357 176.000 -0.102 0.000 1.231 573 Q CA -0.400 55.072 55.803 -0.552 0.000 1.056 573 Q CB 0.535 29.080 28.738 -0.323 0.000 1.284 573 Q HN 0.348 nan 8.270 nan 0.000 0.558 574 S N 1.187 116.833 115.700 -0.090 0.000 2.503 574 S HA 0.702 5.172 4.470 -0.000 0.000 0.301 574 S C -0.366 174.333 174.600 0.165 0.000 1.087 574 S CA -0.789 57.515 58.200 0.173 0.000 1.042 574 S CB 1.438 64.724 63.200 0.143 0.000 1.043 574 S HN 0.363 nan 8.310 nan 0.000 0.489 575 L N 2.197 123.497 121.223 0.128 0.000 2.332 575 L HA 0.635 4.975 4.340 -0.000 0.000 0.269 575 L C -0.240 176.555 176.870 -0.124 0.000 1.016 575 L CA -1.188 53.623 54.840 -0.048 0.000 0.809 575 L CB 1.211 43.108 42.059 -0.270 0.000 1.280 575 L HN 0.623 nan 8.230 nan 0.000 0.447 576 I N 0.802 121.245 120.570 -0.212 0.000 2.488 576 I HA 0.332 4.502 4.170 -0.000 0.000 0.299 576 I C -0.057 175.709 176.117 -0.586 0.000 0.984 576 I CA -0.107 60.945 61.300 -0.414 0.000 1.250 576 I CB 1.377 39.156 38.000 -0.369 0.000 1.389 576 I HN 0.534 nan 8.210 nan 0.000 0.488 577 K N 3.840 123.609 120.400 -1.053 0.000 2.469 577 K HA 0.546 4.866 4.320 -0.000 0.000 0.268 577 K C -1.868 174.027 176.600 -1.175 0.000 1.027 577 K CA -0.848 54.756 56.287 -1.138 0.000 0.893 577 K CB 2.366 33.816 32.500 -1.750 0.000 1.460 577 K HN 0.275 nan 8.250 nan 0.000 0.449 578 Y N 0.868 120.994 120.300 -0.291 0.000 2.391 578 Y HA 0.147 4.697 4.550 -0.000 0.000 0.341 578 Y C -0.106 175.969 175.900 0.291 0.000 0.965 578 Y CA -1.073 57.048 58.100 0.034 0.000 1.067 578 Y CB 1.387 39.849 38.460 0.004 0.000 1.199 578 Y HN 0.652 nan 8.280 nan 0.000 0.450 579 D N 0.052 120.759 120.400 0.511 0.000 2.433 579 D HA 0.071 4.711 4.640 -0.000 0.000 0.255 579 D C 0.423 176.844 176.300 0.203 0.000 1.226 579 D CA -0.421 53.777 54.000 0.329 0.000 1.015 579 D CB 0.667 41.571 40.800 0.173 0.000 1.091 579 D HN 0.631 nan 8.370 nan 0.000 0.527 580 E N -1.161 119.106 120.200 0.111 0.000 2.472 580 E HA -0.085 4.265 4.350 -0.000 0.000 0.200 580 E C 0.608 177.242 176.600 0.057 0.000 1.046 580 E CA 0.326 56.765 56.400 0.066 0.000 0.871 580 E CB -0.121 29.597 29.700 0.030 0.000 0.806 580 E HN 0.340 nan 8.360 nan 0.000 0.533 581 N N -0.250 118.494 118.700 0.074 0.000 2.236 581 N HA 0.015 4.755 4.740 -0.000 0.000 0.196 581 N C 0.787 176.347 175.510 0.084 0.000 1.114 581 N CA 0.706 53.793 53.050 0.061 0.000 0.859 581 N CB 1.471 39.986 38.487 0.047 0.000 0.982 581 N HN 0.222 nan 8.380 nan 0.000 0.493 582 G N 1.310 110.186 108.800 0.127 0.000 2.137 582 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.237 582 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.237 582 G C -0.325 174.720 174.900 0.241 0.000 1.002 582 G CA -0.390 44.798 45.100 0.147 0.000 0.702 582 G HN 0.238 nan 8.290 nan 0.000 0.515 583 N N 1.211 120.065 118.700 0.256 0.000 2.473 583 N HA 0.557 5.297 4.740 -0.000 0.000 0.291 583 N C -2.794 172.901 175.510 0.308 0.000 1.083 583 N CA -1.262 51.941 53.050 0.255 0.000 0.951 583 N CB 2.256 40.853 38.487 0.182 0.000 1.164 583 N HN 0.138 nan 8.380 nan 0.000 0.480 584 P HA 0.399 nan 4.420 nan 0.000 0.292 584 P C -0.620 176.667 177.300 -0.022 0.000 1.283 584 P CA -0.473 62.463 63.100 -0.273 0.000 0.835 584 P CB 0.957 32.433 31.700 -0.373 0.000 1.017 585 W N -0.382 120.692 121.300 -0.376 0.000 3.083 585 W HA 0.437 5.097 4.660 -0.000 0.000 0.333 585 W C -1.335 174.993 176.519 -0.318 0.000 1.217 585 W CA -1.129 56.001 57.345 -0.357 0.000 1.170 585 W CB 0.240 29.334 29.460 -0.609 0.000 1.437 585 W HN 0.121 nan 8.180 nan 0.000 0.557 586 S N 1.706 117.448 115.700 0.070 0.000 2.455 586 S HA 0.483 4.953 4.470 -0.000 0.000 0.278 586 S C 0.261 174.958 174.600 0.161 0.000 1.216 586 S CA -0.236 58.000 58.200 0.059 0.000 1.055 586 S CB 0.597 63.882 63.200 0.141 0.000 0.939 586 S HN 0.616 nan 8.310 nan 0.000 0.494 587 A N 3.275 126.058 122.820 -0.061 0.000 2.306 587 A HA 0.770 5.090 4.320 -0.000 0.000 0.314 587 A C -0.418 177.421 177.584 0.425 0.000 1.164 587 A CA -0.698 51.363 52.037 0.040 0.000 0.822 587 A CB 0.357 19.180 19.000 -0.295 0.000 1.130 587 A HN 0.844 nan 8.150 nan 0.000 0.496 588 Y N 0.174 120.739 120.300 0.443 0.000 2.833 588 Y HA 0.781 5.331 4.550 -0.000 0.000 0.319 588 Y C 0.657 176.809 175.900 0.421 0.000 1.254 588 Y CA -1.443 56.890 58.100 0.390 0.000 1.138 588 Y CB -0.094 38.454 38.460 0.148 0.000 1.352 588 Y HN 0.934 nan 8.280 nan 0.000 0.546 589 G N -0.164 108.927 108.800 0.485 0.000 2.460 589 G HA2 0.328 4.288 3.960 -0.000 0.000 0.230 589 G HA3 0.328 4.288 3.960 -0.000 0.000 0.230 589 G C 1.067 176.218 174.900 0.419 0.000 1.248 589 G CA 0.510 45.822 45.100 0.353 0.000 0.863 589 G HN 2.027 nan 8.290 nan 0.000 0.549 590 G N 1.430 110.443 108.800 0.355 0.000 2.302 590 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.263 590 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.263 590 G C 0.948 176.013 174.900 0.275 0.000 0.995 590 G CA 0.909 46.184 45.100 0.292 0.000 0.622 590 G HN 0.698 nan 8.290 nan 0.000 0.538 591 D N -0.376 120.204 120.400 0.300 0.000 2.392 591 D HA 0.170 4.810 4.640 -0.000 0.000 0.228 591 D C 1.261 177.469 176.300 -0.153 0.000 1.003 591 D CA 0.487 54.533 54.000 0.076 0.000 0.917 591 D CB -0.223 40.569 40.800 -0.013 0.000 0.890 591 D HN 0.492 nan 8.370 nan 0.000 0.532 592 F N -1.322 118.755 119.950 0.211 0.000 2.729 592 F HA 0.309 4.836 4.527 -0.000 0.000 0.315 592 F C 1.808 177.694 175.800 0.142 0.000 1.102 592 F CA -0.134 57.958 58.000 0.154 0.000 1.204 592 F CB 0.844 39.939 39.000 0.158 0.000 1.052 592 F HN -0.038 nan 8.300 nan 0.000 0.551 593 G N 0.471 109.431 108.800 0.266 0.000 2.175 593 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.244 593 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.244 593 G C -0.203 174.825 174.900 0.215 0.000 0.982 593 G CA 0.042 45.261 45.100 0.198 0.000 0.641 593 G HN 0.395 nan 8.290 nan 0.000 0.527 594 D N 1.081 121.653 120.400 0.287 0.000 2.417 594 D HA 0.462 5.102 4.640 -0.000 0.000 0.250 594 D C -0.096 176.314 176.300 0.184 0.000 1.166 594 D CA 0.697 54.852 54.000 0.259 0.000 0.881 594 D CB 1.103 42.109 40.800 0.343 0.000 1.164 594 D HN 0.141 nan 8.370 nan 0.000 0.467 595 T N 2.500 117.136 114.554 0.136 0.000 3.041 595 T HA 0.427 4.777 4.350 -0.000 0.000 0.321 595 T C -2.305 172.429 174.700 0.056 0.000 1.184 595 T CA -0.984 61.168 62.100 0.087 0.000 1.050 595 T CB 1.915 70.834 68.868 0.085 0.000 1.159 595 T HN 0.404 nan 8.240 nan 0.000 0.469 596 P HA 0.483 nan 4.420 nan 0.000 0.277 596 P C -1.074 176.211 177.300 -0.026 0.000 1.271 596 P CA -0.605 62.492 63.100 -0.005 0.000 0.795 596 P CB 0.734 32.407 31.700 -0.046 0.000 1.101 597 N N -1.125 117.561 118.700 -0.024 0.000 2.610 597 N HA 0.138 4.878 4.740 -0.000 0.000 0.264 597 N C -1.168 174.319 175.510 -0.039 0.000 1.348 597 N CA -0.561 52.461 53.050 -0.048 0.000 0.819 597 N CB 1.415 39.957 38.487 0.091 0.000 1.521 597 N HN 0.158 nan 8.380 nan 0.000 0.497 598 D N 0.095 120.465 120.400 -0.051 0.000 2.525 598 D HA 0.129 4.769 4.640 -0.000 0.000 0.229 598 D C 0.774 177.321 176.300 0.413 0.000 1.202 598 D CA -0.155 53.918 54.000 0.122 0.000 0.828 598 D CB 0.471 41.192 40.800 -0.133 0.000 1.008 598 D HN 0.692 nan 8.370 nan 0.000 0.493 599 R N 0.413 121.118 120.500 0.343 0.000 3.793 599 R HA -0.395 3.945 4.340 -0.000 0.000 0.464 599 R C 0.967 177.262 176.300 -0.009 0.000 0.241 599 R CA 1.723 57.996 56.100 0.287 0.000 1.464 599 R CB -1.553 28.851 30.300 0.174 0.000 0.954 599 R HN 0.109 nan 8.270 nan 0.000 0.583 600 Q N 0.335 119.816 119.800 -0.532 0.000 2.472 600 Q HA 0.177 4.517 4.340 -0.000 0.000 0.208 600 Q C 1.636 177.323 176.000 -0.521 0.000 0.958 600 Q CA 1.308 56.594 55.803 -0.862 0.000 0.932 600 Q CB -0.099 27.954 28.738 -1.142 0.000 1.007 600 Q HN 0.452 nan 8.270 nan 0.000 0.508 601 F N 1.029 120.866 119.950 -0.188 0.000 2.411 601 F HA -0.174 4.353 4.527 -0.000 0.000 0.299 601 F C 1.673 177.424 175.800 -0.083 0.000 1.077 601 F CA 0.589 58.571 58.000 -0.030 0.000 1.439 601 F CB -0.294 38.761 39.000 0.091 0.000 1.085 601 F HN 0.395 nan 8.300 nan 0.000 0.564 602 C N -1.626 117.442 119.300 -0.386 0.000 2.673 602 C HA 0.415 4.875 4.460 -0.000 0.000 0.274 602 C C 0.767 175.565 174.990 -0.320 0.000 1.276 602 C CA -0.589 58.054 59.018 -0.625 0.000 1.701 602 C CB -1.711 25.072 27.740 -1.595 0.000 1.836 602 C HN 0.198 nan 8.230 nan 0.000 0.596 603 M N 3.553 123.012 119.600 -0.236 0.000 2.006 603 M HA 0.348 4.828 4.480 -0.000 0.000 0.314 603 M C -0.566 175.618 176.300 -0.194 0.000 0.926 603 M CA 0.205 55.381 55.300 -0.206 0.000 0.906 603 M CB 0.581 33.072 32.600 -0.182 0.000 1.422 603 M HN 0.339 nan 8.290 nan 0.000 0.397 604 N N 1.740 120.315 118.700 -0.209 0.000 2.475 604 N HA 0.188 4.928 4.740 -0.000 0.000 0.272 604 N C -0.071 175.201 175.510 -0.398 0.000 1.482 604 N CA -0.228 52.657 53.050 -0.275 0.000 0.863 604 N CB 1.197 39.573 38.487 -0.184 0.000 1.400 604 N HN 0.645 nan 8.380 nan 0.000 0.489 605 G N -0.004 108.502 108.800 -0.489 0.000 2.511 605 G HA2 0.535 4.495 3.960 -0.000 0.000 0.316 605 G HA3 0.535 4.495 3.960 -0.000 0.000 0.316 605 G C 0.689 175.103 174.900 -0.810 0.000 1.210 605 G CA -0.571 44.166 45.100 -0.604 0.000 0.969 605 G HN 0.121 nan 8.290 nan 0.000 0.492 606 L N -0.447 120.325 121.223 -0.752 0.000 2.567 606 L HA 0.208 4.548 4.340 -0.000 0.000 0.225 606 L C 0.316 176.666 176.870 -0.867 0.000 1.119 606 L CA 0.176 54.600 54.840 -0.693 0.000 0.871 606 L CB 0.189 41.994 42.059 -0.423 0.000 1.036 606 L HN 0.356 nan 8.230 nan 0.000 0.459 607 V N -5.070 114.212 119.914 -1.053 0.000 2.888 607 V HA 0.465 4.585 4.120 -0.000 0.000 0.309 607 V C -0.472 175.230 176.094 -0.653 0.000 1.114 607 V CA -1.112 60.705 62.300 -0.806 0.000 0.940 607 V CB 1.517 32.815 31.823 -0.876 0.000 1.021 607 V HN -0.129 nan 8.190 nan 0.000 0.426 608 F N 2.725 122.555 119.950 -0.200 0.000 2.553 608 F HA 0.521 5.048 4.527 -0.000 0.000 0.356 608 F C 1.993 177.681 175.800 -0.187 0.000 1.142 608 F CA 0.889 58.837 58.000 -0.087 0.000 1.322 608 F CB 1.048 40.050 39.000 0.003 0.000 1.126 608 F HN 0.910 nan 8.300 nan 0.000 0.599 609 A N 1.889 124.729 122.820 0.033 0.000 2.016 609 A HA -0.343 3.977 4.320 -0.000 0.000 0.225 609 A C 1.772 179.311 177.584 -0.074 0.000 1.230 609 A CA 2.405 54.414 52.037 -0.047 0.000 0.678 609 A CB -1.127 17.867 19.000 -0.010 0.000 0.826 609 A HN 0.848 nan 8.150 nan 0.000 0.484 610 D N -3.602 116.778 120.400 -0.033 0.000 2.349 610 D HA 0.131 4.771 4.640 -0.000 0.000 0.224 610 D C 0.662 176.934 176.300 -0.047 0.000 1.029 610 D CA 0.358 54.315 54.000 -0.071 0.000 0.879 610 D CB -0.053 40.709 40.800 -0.063 0.000 0.906 610 D HN 0.260 nan 8.370 nan 0.000 0.528 611 R N -1.124 119.349 120.500 -0.045 0.000 3.822 611 R HA -0.106 4.234 4.340 -0.000 0.000 0.366 611 R C -0.313 175.980 176.300 -0.011 0.000 1.137 611 R CA 0.920 56.985 56.100 -0.058 0.000 0.933 611 R CB -3.400 26.894 30.300 -0.011 0.000 1.522 611 R HN 0.562 nan 8.270 nan 0.000 0.519 612 T N -1.955 112.641 114.554 0.070 0.000 2.907 612 T HA 0.765 5.115 4.350 -0.000 0.000 0.284 612 T C -2.472 172.339 174.700 0.186 0.000 1.004 612 T CA -2.105 60.071 62.100 0.126 0.000 1.063 612 T CB 2.555 71.490 68.868 0.112 0.000 0.992 612 T HN -0.148 nan 8.240 nan 0.000 0.483 613 P HA 0.359 nan 4.420 nan 0.000 0.284 613 P C -0.613 176.740 177.300 0.088 0.000 1.253 613 P CA -0.424 62.687 63.100 0.018 0.000 0.800 613 P CB 0.370 32.074 31.700 0.006 0.000 0.961 614 H N 3.145 122.052 119.070 -0.272 0.000 2.547 614 H HA 0.186 4.742 4.556 -0.000 0.000 0.362 614 H C -1.212 174.030 175.328 -0.143 0.000 1.181 614 H CA -1.574 54.300 56.048 -0.290 0.000 1.376 614 H CB -0.376 29.150 29.762 -0.394 0.000 1.488 614 H HN 0.290 nan 8.280 nan 0.000 0.583 615 P HA -0.178 nan 4.420 nan 0.000 0.215 615 P C 1.156 178.451 177.300 -0.009 0.000 1.157 615 P CA 2.108 65.195 63.100 -0.021 0.000 0.868 615 P CB -0.085 31.598 31.700 -0.029 0.000 0.788 616 A N -0.112 122.702 122.820 -0.009 0.000 1.971 616 A HA -0.249 4.071 4.320 -0.000 0.000 0.222 616 A C 2.143 179.670 177.584 -0.096 0.000 1.182 616 A CA 1.924 53.915 52.037 -0.076 0.000 0.649 616 A CB -1.801 17.117 19.000 -0.137 0.000 0.818 616 A HN 0.195 nan 8.150 nan 0.000 0.458 617 L N 0.238 121.424 121.223 -0.061 0.000 2.089 617 L HA -0.196 4.144 4.340 -0.000 0.000 0.213 617 L C 2.451 179.347 176.870 0.044 0.000 1.079 617 L CA 2.923 57.757 54.840 -0.011 0.000 0.758 617 L CB -1.052 41.002 42.059 -0.009 0.000 0.891 617 L HN 0.494 nan 8.230 nan 0.000 0.433 618 T N -1.764 112.824 114.554 0.056 0.000 2.821 618 T HA -0.177 4.173 4.350 -0.000 0.000 0.267 618 T C 1.693 176.487 174.700 0.158 0.000 1.046 618 T CA 1.183 63.368 62.100 0.142 0.000 1.139 618 T CB -0.278 68.661 68.868 0.119 0.000 0.871 618 T HN 0.319 nan 8.240 nan 0.000 0.454 619 E N 1.920 122.157 120.200 0.061 0.000 2.038 619 E HA -0.079 4.271 4.350 -0.000 0.000 0.195 619 E C 2.365 178.970 176.600 0.009 0.000 1.000 619 E CA 1.490 57.930 56.400 0.066 0.000 0.803 619 E CB -0.804 28.888 29.700 -0.014 0.000 0.750 619 E HN 0.439 nan 8.360 nan 0.000 0.448 620 A N 0.930 123.649 122.820 -0.167 0.000 1.884 620 A HA -0.342 3.978 4.320 -0.000 0.000 0.219 620 A C 2.210 179.672 177.584 -0.202 0.000 1.197 620 A CA 2.524 54.427 52.037 -0.223 0.000 0.637 620 A CB -0.826 18.058 19.000 -0.192 0.000 0.827 620 A HN 0.313 nan 8.150 nan 0.000 0.450 621 K N -1.243 119.114 120.400 -0.072 0.000 2.044 621 K HA -0.263 4.057 4.320 -0.000 0.000 0.210 621 K C 2.118 178.584 176.600 -0.223 0.000 1.049 621 K CA 1.931 58.178 56.287 -0.067 0.000 0.927 621 K CB -0.423 32.172 32.500 0.158 0.000 0.713 621 K HN 0.776 nan 8.250 nan 0.000 0.443 622 H N -0.169 118.701 119.070 -0.333 0.000 2.256 622 H HA -0.112 4.444 4.556 -0.000 0.000 0.299 622 H C 1.985 177.048 175.328 -0.442 0.000 1.071 622 H CA 1.758 57.473 56.048 -0.556 0.000 1.280 622 H CB 0.207 29.707 29.762 -0.436 0.000 1.370 622 H HN 0.311 nan 8.280 nan 0.000 0.490 623 Q N 0.659 120.197 119.800 -0.437 0.000 2.096 623 Q HA -0.170 4.169 4.340 -0.000 0.000 0.204 623 Q C 1.863 177.330 176.000 -0.888 0.000 0.982 623 Q CA 1.250 56.709 55.803 -0.573 0.000 0.850 623 Q CB -0.433 28.082 28.738 -0.372 0.000 0.901 623 Q HN 0.702 nan 8.270 nan 0.000 0.422 624 Q N 1.745 120.968 119.800 -0.960 0.000 2.408 624 Q HA -0.034 4.306 4.340 -0.000 0.000 0.214 624 Q C 0.113 175.559 176.000 -0.924 0.000 0.957 624 Q CA -0.111 55.001 55.803 -1.151 0.000 0.965 624 Q CB -0.340 27.748 28.738 -1.082 0.000 0.991 624 Q HN 0.436 nan 8.270 nan 0.000 0.505 625 Q N -0.874 118.498 119.800 -0.714 0.000 2.327 625 Q HA 0.107 4.447 4.340 -0.000 0.000 0.254 625 Q C -0.290 175.317 176.000 -0.654 0.000 0.952 625 Q CA -0.282 55.198 55.803 -0.539 0.000 0.884 625 Q CB 0.498 29.067 28.738 -0.281 0.000 1.224 625 Q HN 0.141 nan 8.270 nan 0.000 0.422 626 F N 0.345 120.018 119.950 -0.461 0.000 2.661 626 F HA 0.181 4.708 4.527 -0.000 0.000 0.298 626 F C -0.025 175.134 175.800 -1.069 0.000 1.137 626 F CA 0.184 57.664 58.000 -0.866 0.000 1.454 626 F CB 0.285 38.475 39.000 -1.351 0.000 1.103 626 F HN 0.390 nan 8.300 nan 0.000 0.577 627 F N 0.318 120.153 119.950 -0.192 0.000 2.495 627 F HA 0.450 4.977 4.527 -0.000 0.000 0.327 627 F C -0.006 175.477 175.800 -0.529 0.000 1.103 627 F CA -1.191 56.596 58.000 -0.354 0.000 0.949 627 F CB 1.176 39.947 39.000 -0.380 0.000 1.142 627 F HN -0.288 nan 8.300 nan 0.000 0.457 628 Q N 3.080 122.642 119.800 -0.396 0.000 2.345 628 Q HA 0.591 4.931 4.340 -0.000 0.000 0.268 628 Q C -1.515 174.236 176.000 -0.415 0.000 1.054 628 Q CA -0.716 54.903 55.803 -0.307 0.000 0.835 628 Q CB 3.076 31.749 28.738 -0.107 0.000 1.339 628 Q HN 0.535 nan 8.270 nan 0.000 0.447 629 F N 0.100 120.174 119.950 0.207 0.000 2.576 629 F HA 0.596 5.123 4.527 -0.000 0.000 0.313 629 F C 0.204 176.239 175.800 0.391 0.000 1.078 629 F CA -0.853 57.339 58.000 0.320 0.000 0.921 629 F CB 2.105 41.399 39.000 0.490 0.000 1.232 629 F HN 0.159 nan 8.300 nan 0.000 0.459 630 R N 1.481 122.283 120.500 0.503 0.000 2.673 630 R HA 0.647 4.987 4.340 -0.000 0.000 0.281 630 R C -2.029 174.296 176.300 0.042 0.000 0.991 630 R CA -1.198 55.092 56.100 0.315 0.000 0.896 630 R CB 2.945 33.341 30.300 0.160 0.000 1.201 630 R HN 0.579 nan 8.270 nan 0.000 0.457 631 L N 0.903 122.010 121.223 -0.194 0.000 2.307 631 L HA 0.480 4.820 4.340 -0.000 0.000 0.284 631 L C -0.883 175.823 176.870 -0.273 0.000 1.023 631 L CA 0.165 54.694 54.840 -0.518 0.000 0.810 631 L CB 2.062 43.420 42.059 -1.167 0.000 1.231 631 L HN 0.451 nan 8.230 nan 0.000 0.423 632 S N 3.537 119.103 115.700 -0.223 0.000 2.745 632 S HA 0.659 5.129 4.470 -0.000 0.000 0.283 632 S C 0.447 174.959 174.600 -0.147 0.000 1.170 632 S CA 0.035 58.148 58.200 -0.144 0.000 1.119 632 S CB 0.848 63.997 63.200 -0.085 0.000 1.035 632 S HN 1.265 nan 8.310 nan 0.000 0.483 633 G N 3.888 112.603 108.800 -0.142 0.000 2.675 633 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.312 633 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.312 633 G C 0.020 174.820 174.900 -0.166 0.000 1.186 633 G CA 0.947 45.971 45.100 -0.127 0.000 0.965 633 G HN 0.749 nan 8.290 nan 0.000 0.548 634 Q N 0.339 120.044 119.800 -0.158 0.000 2.141 634 Q HA 0.555 4.895 4.340 -0.000 0.000 0.248 634 Q C 0.188 176.064 176.000 -0.207 0.000 0.834 634 Q CA 0.404 56.091 55.803 -0.192 0.000 1.096 634 Q CB 0.106 28.747 28.738 -0.163 0.000 1.189 634 Q HN 0.456 nan 8.270 nan 0.000 0.471 635 T N 1.650 116.090 114.554 -0.190 0.000 2.770 635 T HA 0.595 4.945 4.350 -0.000 0.000 0.283 635 T C -0.357 174.234 174.700 -0.182 0.000 0.988 635 T CA -0.424 61.579 62.100 -0.160 0.000 0.957 635 T CB 0.518 69.321 68.868 -0.109 0.000 0.930 635 T HN 0.248 nan 8.240 nan 0.000 0.443 636 I N 3.392 123.871 120.570 -0.153 0.000 2.315 636 I HA 0.324 4.494 4.170 -0.000 0.000 0.291 636 I C 0.599 176.727 176.117 0.018 0.000 1.006 636 I CA -0.586 60.654 61.300 -0.099 0.000 1.265 636 I CB 1.249 39.227 38.000 -0.036 0.000 1.387 636 I HN 0.527 nan 8.210 nan 0.000 0.475 637 E N 6.323 126.558 120.200 0.059 0.000 2.115 637 E HA 0.391 4.741 4.350 -0.000 0.000 0.282 637 E C -1.239 175.445 176.600 0.139 0.000 0.987 637 E CA -0.568 55.879 56.400 0.078 0.000 0.797 637 E CB 1.426 31.157 29.700 0.053 0.000 1.086 637 E HN 0.364 nan 8.360 nan 0.000 0.397 638 V N 3.725 123.697 119.914 0.096 0.000 2.539 638 V HA 0.380 4.500 4.120 -0.000 0.000 0.292 638 V C 0.170 176.254 176.094 -0.017 0.000 1.045 638 V CA -0.454 61.849 62.300 0.005 0.000 0.945 638 V CB 1.834 33.666 31.823 0.016 0.000 0.993 638 V HN 0.702 nan 8.190 nan 0.000 0.464 639 T N 2.643 117.155 114.554 -0.069 0.000 2.921 639 T HA 0.330 4.680 4.350 -0.000 0.000 0.297 639 T C -0.424 174.248 174.700 -0.047 0.000 1.013 639 T CA -0.252 61.826 62.100 -0.037 0.000 0.990 639 T CB 1.669 70.500 68.868 -0.062 0.000 1.023 639 T HN 0.705 nan 8.240 nan 0.000 0.447 640 S N 1.608 117.283 115.700 -0.042 0.000 2.537 640 S HA 0.282 4.752 4.470 -0.000 0.000 0.275 640 S C 0.747 175.204 174.600 -0.238 0.000 1.272 640 S CA -0.458 57.644 58.200 -0.162 0.000 1.050 640 S CB 0.616 63.791 63.200 -0.042 0.000 0.961 640 S HN 0.729 nan 8.310 nan 0.000 0.496 641 E N 2.600 122.548 120.200 -0.420 0.000 2.501 641 E HA 0.085 4.435 4.350 -0.000 0.000 0.201 641 E C -0.937 175.510 176.600 -0.255 0.000 1.016 641 E CA -0.069 56.141 56.400 -0.317 0.000 0.920 641 E CB 0.359 29.852 29.700 -0.346 0.000 1.023 641 E HN 0.615 nan 8.360 nan 0.000 0.474 642 Y N 0.920 121.122 120.300 -0.163 0.000 2.377 642 Y HA 0.045 4.595 4.550 -0.000 0.000 0.330 642 Y C 1.400 177.149 175.900 -0.251 0.000 1.108 642 Y CA 0.006 58.003 58.100 -0.171 0.000 1.308 642 Y CB 0.617 38.959 38.460 -0.197 0.000 1.216 642 Y HN -0.021 nan 8.280 nan 0.000 0.518 643 L N 1.962 123.053 121.223 -0.221 0.000 2.209 643 L HA -0.083 4.257 4.340 -0.000 0.000 0.207 643 L C 0.859 177.199 176.870 -0.884 0.000 1.094 643 L CA 1.157 55.556 54.840 -0.736 0.000 0.790 643 L CB -0.167 41.076 42.059 -1.361 0.000 0.932 643 L HN 0.573 nan 8.230 nan 0.000 0.447 644 F N -0.665 119.299 119.950 0.023 0.000 2.577 644 F HA 0.183 4.710 4.527 -0.000 0.000 0.276 644 F C 1.438 177.203 175.800 -0.057 0.000 1.032 644 F CA -0.759 57.220 58.000 -0.036 0.000 1.297 644 F CB -0.142 38.813 39.000 -0.074 0.000 1.061 644 F HN -0.119 nan 8.300 nan 0.000 0.680 645 R N 0.209 120.708 120.500 -0.002 0.000 2.543 645 R HA 0.433 4.773 4.340 -0.000 0.000 0.268 645 R C -1.019 175.266 176.300 -0.026 0.000 1.067 645 R CA -0.584 55.461 56.100 -0.093 0.000 1.142 645 R CB 0.498 30.633 30.300 -0.275 0.000 1.110 645 R HN 0.126 nan 8.270 nan 0.000 0.549 646 H N -0.071 118.969 119.070 -0.051 0.000 2.502 646 H HA 0.161 4.717 4.556 -0.000 0.000 0.338 646 H C -0.268 175.088 175.328 0.046 0.000 1.155 646 H CA -0.290 55.773 56.048 0.026 0.000 1.237 646 H CB 1.419 31.199 29.762 0.029 0.000 1.534 646 H HN 0.763 nan 8.280 nan 0.000 0.523 647 S N 2.283 117.991 115.700 0.014 0.000 3.716 647 S HA -0.035 4.435 4.470 -0.000 0.000 0.254 647 S C -0.244 174.487 174.600 0.217 0.000 1.209 647 S CA -0.137 58.174 58.200 0.185 0.000 1.026 647 S CB -0.903 62.378 63.200 0.135 0.000 1.625 647 S HN 0.687 nan 8.310 nan 0.000 0.500 648 D N 0.310 120.819 120.400 0.182 0.000 2.525 648 D HA 0.188 4.828 4.640 -0.000 0.000 0.229 648 D C 0.269 176.621 176.300 0.087 0.000 1.202 648 D CA -0.551 53.535 54.000 0.143 0.000 0.828 648 D CB -0.195 40.670 40.800 0.109 0.000 1.008 648 D HN 0.458 nan 8.370 nan 0.000 0.493 649 N N 0.044 118.798 118.700 0.090 0.000 2.471 649 N HA 0.068 4.808 4.740 -0.000 0.000 0.264 649 N C -1.446 174.110 175.510 0.076 0.000 1.493 649 N CA -0.087 53.003 53.050 0.067 0.000 0.932 649 N CB 0.347 38.867 38.487 0.054 0.000 1.405 649 N HN -0.047 nan 8.380 nan 0.000 0.505 650 E N 0.113 120.351 120.200 0.064 0.000 2.210 650 E HA 0.514 4.864 4.350 -0.000 0.000 0.266 650 E C -1.419 175.167 176.600 -0.023 0.000 0.883 650 E CA -0.613 55.797 56.400 0.015 0.000 0.761 650 E CB 2.197 31.860 29.700 -0.062 0.000 1.156 650 E HN 0.086 nan 8.360 nan 0.000 0.412 651 L N 3.197 124.381 121.223 -0.065 0.000 2.381 651 L HA 0.519 4.859 4.340 -0.000 0.000 0.274 651 L C -1.587 175.190 176.870 -0.155 0.000 0.988 651 L CA -0.860 53.917 54.840 -0.106 0.000 0.824 651 L CB 1.560 43.508 42.059 -0.186 0.000 1.263 651 L HN 0.616 nan 8.230 nan 0.000 0.410 652 L N 5.042 126.248 121.223 -0.028 0.000 2.276 652 L HA 0.454 4.794 4.340 -0.000 0.000 0.286 652 L C -0.788 176.216 176.870 0.225 0.000 1.061 652 L CA 0.125 55.014 54.840 0.082 0.000 0.807 652 L CB 0.491 42.653 42.059 0.172 0.000 1.177 652 L HN 0.635 nan 8.230 nan 0.000 0.429 653 H N 6.037 125.206 119.070 0.164 0.000 2.541 653 H HA 0.320 4.876 4.556 -0.000 0.000 0.316 653 H C -1.189 174.245 175.328 0.177 0.000 1.043 653 H CA -0.804 55.307 56.048 0.105 0.000 1.232 653 H CB 0.730 30.510 29.762 0.031 0.000 1.406 653 H HN 0.666 nan 8.280 nan 0.000 0.469 654 W N 4.597 126.002 121.300 0.175 0.000 2.627 654 W HA 0.603 5.263 4.660 -0.000 0.000 0.339 654 W C -1.727 174.837 176.519 0.075 0.000 1.058 654 W CA -1.340 56.079 57.345 0.123 0.000 1.223 654 W CB 1.318 30.847 29.460 0.115 0.000 1.389 654 W HN 0.383 nan 8.180 nan 0.000 0.541 655 M N 3.522 123.284 119.600 0.270 0.000 2.324 655 M HA 0.371 4.851 4.480 -0.000 0.000 0.288 655 M C -1.914 174.532 176.300 0.243 0.000 1.097 655 M CA -0.569 54.792 55.300 0.102 0.000 0.928 655 M CB 2.347 34.934 32.600 -0.022 0.000 1.648 655 M HN 0.257 nan 8.290 nan 0.000 0.460 656 V N 3.674 123.719 119.914 0.220 0.000 2.407 656 V HA 0.858 4.978 4.120 -0.000 0.000 0.278 656 V C -0.154 176.025 176.094 0.141 0.000 1.037 656 V CA -0.528 61.906 62.300 0.222 0.000 0.900 656 V CB 1.048 33.017 31.823 0.243 0.000 0.983 656 V HN 0.869 nan 8.190 nan 0.000 0.459 657 A N 5.185 128.108 122.820 0.172 0.000 2.402 657 A HA 0.726 5.046 4.320 -0.000 0.000 0.291 657 A C -1.211 176.483 177.584 0.182 0.000 1.051 657 A CA -0.563 51.554 52.037 0.133 0.000 0.716 657 A CB 1.293 20.335 19.000 0.070 0.000 1.223 657 A HN 0.700 nan 8.150 nan 0.000 0.425 658 L N 2.042 123.339 121.223 0.123 0.000 2.319 658 L HA 0.364 4.704 4.340 -0.000 0.000 0.280 658 L C 0.021 176.975 176.870 0.140 0.000 1.099 658 L CA 0.583 55.502 54.840 0.132 0.000 0.828 658 L CB -0.144 41.965 42.059 0.083 0.000 1.150 658 L HN 0.815 nan 8.230 nan 0.000 0.442 659 D N 4.828 125.361 120.400 0.223 0.000 2.805 659 D HA -0.198 4.442 4.640 -0.000 0.000 0.221 659 D C 1.241 177.588 176.300 0.078 0.000 1.197 659 D CA 1.535 55.674 54.000 0.231 0.000 0.606 659 D CB -0.957 39.951 40.800 0.180 0.000 1.024 659 D HN 1.073 nan 8.370 nan 0.000 0.408 660 G N -1.279 107.544 108.800 0.039 0.000 2.194 660 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.236 660 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.236 660 G C 0.113 174.944 174.900 -0.115 0.000 0.987 660 G CA 0.200 45.214 45.100 -0.143 0.000 0.635 660 G HN 0.467 nan 8.290 nan 0.000 0.520 661 K N 1.517 121.893 120.400 -0.039 0.000 2.213 661 K HA 0.588 4.908 4.320 -0.000 0.000 0.270 661 K C -2.806 173.783 176.600 -0.018 0.000 1.002 661 K CA -2.158 54.105 56.287 -0.040 0.000 0.868 661 K CB 1.830 34.316 32.500 -0.022 0.000 1.093 661 K HN -0.014 nan 8.250 nan 0.000 0.454 662 P HA 0.047 nan 4.420 nan 0.000 0.271 662 P C -0.195 177.094 177.300 -0.018 0.000 1.233 662 P CA 0.159 63.237 63.100 -0.038 0.000 0.764 662 P CB 0.528 32.183 31.700 -0.074 0.000 0.825 663 L N 2.060 123.288 121.223 0.008 0.000 2.500 663 L HA 0.480 4.820 4.340 -0.000 0.000 0.219 663 L C 0.811 177.692 176.870 0.018 0.000 1.057 663 L CA 0.265 55.118 54.840 0.023 0.000 0.854 663 L CB 0.144 42.236 42.059 0.054 0.000 1.078 663 L HN 0.327 nan 8.230 nan 0.000 0.480 664 A N -0.765 122.058 122.820 0.004 0.000 2.565 664 A HA 0.625 4.945 4.320 -0.000 0.000 0.298 664 A C -1.041 176.382 177.584 -0.268 0.000 1.062 664 A CA -0.238 51.772 52.037 -0.046 0.000 0.723 664 A CB 1.681 20.755 19.000 0.123 0.000 1.282 664 A HN -0.110 nan 8.150 nan 0.000 0.400 665 S N -0.589 114.813 115.700 -0.497 0.000 2.638 665 S HA 0.966 5.436 4.470 -0.000 0.000 0.302 665 S C -0.099 173.747 174.600 -1.256 0.000 1.096 665 S CA 0.134 57.848 58.200 -0.810 0.000 0.953 665 S CB 1.973 64.890 63.200 -0.472 0.000 1.107 665 S HN 2.224 nan 8.310 nan 0.000 0.503 666 G N 1.351 109.230 108.800 -1.534 0.000 2.633 666 G HA2 0.492 4.452 3.960 -0.000 0.000 0.299 666 G HA3 0.492 4.452 3.960 -0.000 0.000 0.299 666 G C -2.323 172.281 174.900 -0.493 0.000 1.501 666 G CA -0.782 43.718 45.100 -1.000 0.000 0.887 666 G HN 0.583 nan 8.290 nan 0.000 0.561 667 E N 0.126 120.350 120.200 0.041 0.000 2.199 667 E HA 0.658 5.008 4.350 -0.000 0.000 0.269 667 E C -0.988 175.806 176.600 0.323 0.000 0.899 667 E CA -1.043 55.555 56.400 0.330 0.000 0.772 667 E CB 3.192 33.129 29.700 0.396 0.000 1.155 667 E HN 0.269 nan 8.360 nan 0.000 0.408 668 V N 3.221 123.326 119.914 0.319 0.000 2.638 668 V HA 0.394 4.514 4.120 -0.000 0.000 0.306 668 V C -2.399 173.777 176.094 0.137 0.000 1.052 668 V CA -2.154 60.274 62.300 0.215 0.000 0.885 668 V CB 2.105 34.050 31.823 0.203 0.000 0.999 668 V HN 0.631 nan 8.190 nan 0.000 0.424 669 P HA 0.302 nan 4.420 nan 0.000 0.282 669 P C -0.513 176.823 177.300 0.061 0.000 1.262 669 P CA -0.220 62.922 63.100 0.069 0.000 0.773 669 P CB 0.916 32.657 31.700 0.070 0.000 0.879 670 L N 3.201 124.442 121.223 0.031 0.000 2.426 670 L HA 0.177 4.517 4.340 -0.000 0.000 0.271 670 L C 0.622 177.525 176.870 0.055 0.000 1.169 670 L CA 0.680 55.524 54.840 0.008 0.000 0.836 670 L CB 0.298 42.294 42.059 -0.105 0.000 1.112 670 L HN 0.379 nan 8.230 nan 0.000 0.465 671 D N 2.437 122.875 120.400 0.065 0.000 2.735 671 D HA 0.301 4.941 4.640 -0.000 0.000 0.291 671 D C -1.198 175.115 176.300 0.023 0.000 1.205 671 D CA -0.135 53.948 54.000 0.139 0.000 0.777 671 D CB 0.739 41.648 40.800 0.182 0.000 1.234 671 D HN 0.059 nan 8.370 nan 0.000 0.520 672 V N 0.198 119.998 119.914 -0.190 0.000 2.628 672 V HA 0.939 5.059 4.120 -0.000 0.000 0.306 672 V C 0.674 176.396 176.094 -0.619 0.000 1.045 672 V CA -1.322 60.837 62.300 -0.236 0.000 0.905 672 V CB 1.454 33.282 31.823 0.010 0.000 0.997 672 V HN 0.381 nan 8.190 nan 0.000 0.436 673 A N 4.850 127.459 122.820 -0.351 0.000 2.302 673 A HA 0.842 5.162 4.320 -0.000 0.000 0.285 673 A C -2.465 175.083 177.584 -0.060 0.000 1.105 673 A CA -1.848 50.077 52.037 -0.187 0.000 0.816 673 A CB 0.039 19.079 19.000 0.068 0.000 1.067 673 A HN 0.726 nan 8.150 nan 0.000 0.489 674 P HA -0.034 nan 4.420 nan 0.000 0.263 674 P C -0.166 177.115 177.300 -0.031 0.000 1.168 674 P CA 0.713 63.812 63.100 -0.002 0.000 0.759 674 P CB 0.134 31.820 31.700 -0.022 0.000 0.782 675 Q N -1.133 118.635 119.800 -0.054 0.000 2.243 675 Q HA -0.241 4.099 4.340 -0.000 0.000 0.208 675 Q C 0.920 176.898 176.000 -0.038 0.000 0.722 675 Q CA 1.379 57.144 55.803 -0.063 0.000 1.420 675 Q CB -2.044 26.651 28.738 -0.073 0.000 1.787 675 Q HN 0.775 nan 8.270 nan 0.000 0.653 676 G N 0.350 109.137 108.800 -0.022 0.000 2.525 676 G HA2 0.516 4.476 3.960 -0.000 0.000 0.287 676 G HA3 0.516 4.476 3.960 -0.000 0.000 0.287 676 G C -0.376 174.524 174.900 -0.000 0.000 1.350 676 G CA -0.505 44.591 45.100 -0.007 0.000 1.039 676 G HN 0.010 nan 8.290 nan 0.000 0.513 677 K N -0.681 119.725 120.400 0.010 0.000 2.469 677 K HA 0.429 4.749 4.320 -0.000 0.000 0.254 677 K C -1.068 175.546 176.600 0.024 0.000 0.939 677 K CA -0.585 55.711 56.287 0.016 0.000 0.812 677 K CB 2.680 35.187 32.500 0.012 0.000 1.301 677 K HN 0.496 nan 8.250 nan 0.000 0.433 678 Q N 2.900 122.719 119.800 0.031 0.000 2.323 678 Q HA 0.385 4.725 4.340 -0.000 0.000 0.271 678 Q C -1.537 174.485 176.000 0.037 0.000 1.048 678 Q CA -0.665 55.159 55.803 0.035 0.000 0.792 678 Q CB 1.442 30.204 28.738 0.041 0.000 1.280 678 Q HN 0.541 nan 8.270 nan 0.000 0.441 679 L N 5.571 126.810 121.223 0.026 0.000 2.255 679 L HA 0.468 4.808 4.340 -0.000 0.000 0.289 679 L C -0.334 176.540 176.870 0.006 0.000 1.046 679 L CA -0.426 54.422 54.840 0.012 0.000 0.816 679 L CB 0.879 42.939 42.059 0.001 0.000 1.197 679 L HN 0.587 nan 8.230 nan 0.000 0.427 680 I N 3.168 123.737 120.570 -0.001 0.000 2.353 680 I HA 0.184 4.354 4.170 -0.000 0.000 0.293 680 I C 0.106 176.180 176.117 -0.073 0.000 0.992 680 I CA -0.362 60.926 61.300 -0.020 0.000 1.268 680 I CB 1.872 39.868 38.000 -0.006 0.000 1.387 680 I HN 0.578 nan 8.210 nan 0.000 0.478 681 E N 6.422 126.578 120.200 -0.073 0.000 2.109 681 E HA 0.461 4.811 4.350 -0.000 0.000 0.278 681 E C -1.082 175.428 176.600 -0.151 0.000 0.954 681 E CA -0.399 55.941 56.400 -0.101 0.000 0.779 681 E CB 1.136 30.795 29.700 -0.067 0.000 1.093 681 E HN 0.442 nan 8.360 nan 0.000 0.401 682 L N 5.178 126.263 121.223 -0.229 0.000 2.375 682 L HA 0.558 4.898 4.340 -0.000 0.000 0.268 682 L C -1.838 174.908 176.870 -0.207 0.000 1.058 682 L CA -2.047 52.591 54.840 -0.337 0.000 0.803 682 L CB 1.017 42.724 42.059 -0.586 0.000 1.212 682 L HN 0.510 nan 8.230 nan 0.000 0.451 683 P HA 0.078 nan 4.420 nan 0.000 0.277 683 P C -0.823 176.438 177.300 -0.064 0.000 1.240 683 P CA -0.578 62.487 63.100 -0.058 0.000 0.798 683 P CB 0.662 32.383 31.700 0.035 0.000 0.979 684 E N 1.789 121.971 120.200 -0.030 0.000 2.694 684 E HA 0.001 4.351 4.350 -0.000 0.000 0.250 684 E C -0.503 176.100 176.600 0.006 0.000 0.963 684 E CA -0.017 56.370 56.400 -0.023 0.000 0.949 684 E CB -0.045 29.648 29.700 -0.011 0.000 0.911 684 E HN 0.321 nan 8.360 nan 0.000 0.500 685 L N 6.649 127.868 121.223 -0.006 0.000 2.350 685 L HA 0.367 4.707 4.340 -0.000 0.000 0.275 685 L C -1.777 175.116 176.870 0.038 0.000 1.099 685 L CA -2.382 52.480 54.840 0.036 0.000 0.808 685 L CB 0.465 42.535 42.059 0.018 0.000 1.149 685 L HN 0.535 nan 8.230 nan 0.000 0.442 686 P HA -0.028 nan 4.420 nan 0.000 0.260 686 P C -1.088 176.233 177.300 0.035 0.000 1.185 686 P CA 0.005 63.136 63.100 0.051 0.000 0.763 686 P CB 0.209 31.948 31.700 0.065 0.000 0.776 687 Q N 2.980 122.793 119.800 0.022 0.000 2.769 687 Q HA 0.367 4.707 4.340 -0.000 0.000 0.375 687 Q C -2.022 173.986 176.000 0.014 0.000 0.996 687 Q CA -1.809 54.001 55.803 0.012 0.000 1.042 687 Q CB -0.347 28.392 28.738 0.001 0.000 1.329 687 Q HN 0.329 nan 8.270 nan 0.000 0.427 688 P HA -0.078 nan 4.420 nan 0.000 0.269 688 P C -0.125 177.185 177.300 0.017 0.000 1.211 688 P CA 0.140 63.253 63.100 0.021 0.000 0.781 688 P CB 0.898 32.615 31.700 0.028 0.000 0.877 689 E N -0.650 119.561 120.200 0.017 0.000 2.460 689 E HA 0.070 4.420 4.350 -0.000 0.000 0.200 689 E C 0.096 176.708 176.600 0.019 0.000 1.011 689 E CA -0.184 56.225 56.400 0.015 0.000 0.912 689 E CB -0.041 29.666 29.700 0.013 0.000 0.953 689 E HN 0.332 nan 8.360 nan 0.000 0.494 690 S N 1.847 117.561 115.700 0.023 0.000 2.563 690 S HA 0.264 4.734 4.470 -0.000 0.000 0.284 690 S C 0.433 175.053 174.600 0.034 0.000 1.331 690 S CA -0.278 57.939 58.200 0.028 0.000 1.047 690 S CB 0.881 64.099 63.200 0.030 0.000 0.859 690 S HN 0.356 nan 8.310 nan 0.000 0.514 691 A N 1.730 124.572 122.820 0.037 0.000 2.366 691 A HA 0.711 5.031 4.320 -0.000 0.000 0.249 691 A C 1.013 178.631 177.584 0.058 0.000 1.084 691 A CA 0.338 52.401 52.037 0.044 0.000 0.794 691 A CB -0.538 18.489 19.000 0.045 0.000 1.034 691 A HN 1.854 nan 8.150 nan 0.000 0.491 692 G N -0.344 108.494 108.800 0.063 0.000 2.331 692 G HA2 0.175 4.135 3.960 -0.000 0.000 0.479 692 G HA3 0.175 4.135 3.960 -0.000 0.000 0.479 692 G C -1.083 173.861 174.900 0.074 0.000 1.262 692 G CA -0.631 44.522 45.100 0.089 0.000 1.029 692 G HN 0.902 nan 8.290 nan 0.000 0.487 693 Q N -0.487 119.384 119.800 0.119 0.000 2.325 693 Q HA 0.573 4.913 4.340 -0.000 0.000 0.262 693 Q C -0.910 175.160 176.000 0.117 0.000 0.968 693 Q CA -0.794 55.057 55.803 0.080 0.000 0.877 693 Q CB 2.423 31.263 28.738 0.170 0.000 1.253 693 Q HN 0.502 nan 8.270 nan 0.000 0.448 694 L N 3.780 124.977 121.223 -0.044 0.000 2.262 694 L HA 0.423 4.763 4.340 -0.000 0.000 0.288 694 L C -1.703 175.110 176.870 -0.095 0.000 1.035 694 L CA -0.048 54.801 54.840 0.016 0.000 0.820 694 L CB 0.332 42.389 42.059 -0.004 0.000 1.204 694 L HN 0.524 nan 8.230 nan 0.000 0.424 695 W N 5.541 126.877 121.300 0.060 0.000 2.551 695 W HA 0.569 5.229 4.660 -0.000 0.000 0.330 695 W C -0.810 175.796 176.519 0.145 0.000 1.063 695 W CA -0.621 56.780 57.345 0.093 0.000 1.222 695 W CB 1.538 31.060 29.460 0.103 0.000 1.349 695 W HN 0.292 nan 8.180 nan 0.000 0.536 696 L N 3.250 124.719 121.223 0.410 0.000 2.305 696 L HA 0.691 5.031 4.340 -0.000 0.000 0.284 696 L C -0.343 176.821 176.870 0.491 0.000 1.013 696 L CA 0.138 55.225 54.840 0.412 0.000 0.819 696 L CB 1.275 43.542 42.059 0.348 0.000 1.227 696 L HN 0.299 nan 8.230 nan 0.000 0.417 697 T N 4.907 119.691 114.554 0.383 0.000 2.841 697 T HA 0.706 5.056 4.350 -0.000 0.000 0.283 697 T C -1.005 173.857 174.700 0.270 0.000 1.000 697 T CA -0.375 61.891 62.100 0.278 0.000 0.977 697 T CB 1.547 70.522 68.868 0.178 0.000 0.979 697 T HN 0.571 nan 8.240 nan 0.000 0.446 698 V N 2.047 122.071 119.914 0.183 0.000 2.735 698 V HA 0.866 4.986 4.120 -0.000 0.000 0.310 698 V C -0.965 175.186 176.094 0.095 0.000 1.061 698 V CA -1.201 61.191 62.300 0.153 0.000 0.913 698 V CB 1.946 33.799 31.823 0.049 0.000 1.005 698 V HN 0.855 nan 8.190 nan 0.000 0.428 699 R N 2.489 123.089 120.500 0.167 0.000 2.725 699 R HA 0.839 5.179 4.340 -0.000 0.000 0.277 699 R C -1.606 174.803 176.300 0.181 0.000 0.987 699 R CA -0.842 55.388 56.100 0.217 0.000 0.901 699 R CB 2.651 33.065 30.300 0.190 0.000 1.207 699 R HN 0.612 nan 8.270 nan 0.000 0.463 700 V N 2.633 122.680 119.914 0.222 0.000 2.435 700 V HA 0.450 4.570 4.120 -0.000 0.000 0.290 700 V C -0.386 175.767 176.094 0.098 0.000 1.030 700 V CA -0.638 61.740 62.300 0.129 0.000 0.881 700 V CB 1.766 33.656 31.823 0.111 0.000 0.983 700 V HN 0.463 nan 8.190 nan 0.000 0.445 701 V N 4.766 124.669 119.914 -0.019 0.000 2.680 701 V HA 0.430 4.550 4.120 -0.000 0.000 0.309 701 V C -0.422 175.681 176.094 0.015 0.000 1.052 701 V CA -0.834 61.457 62.300 -0.014 0.000 0.908 701 V CB 2.034 33.762 31.823 -0.158 0.000 1.001 701 V HN 0.900 nan 8.190 nan 0.000 0.431 702 Q N 4.847 124.693 119.800 0.076 0.000 2.456 702 Q HA 0.251 4.591 4.340 -0.000 0.000 0.234 702 Q C -1.770 174.245 176.000 0.025 0.000 1.061 702 Q CA -1.826 54.014 55.803 0.060 0.000 0.896 702 Q CB 1.423 30.205 28.738 0.074 0.000 1.233 702 Q HN 0.483 nan 8.270 nan 0.000 0.506 703 P HA -0.260 nan 4.420 nan 0.000 0.217 703 P C -0.430 176.873 177.300 0.006 0.000 1.162 703 P CA 1.521 64.629 63.100 0.014 0.000 0.901 703 P CB 0.189 31.898 31.700 0.016 0.000 0.793 704 N N -0.896 117.801 118.700 -0.006 0.000 2.508 704 N HA 0.433 5.173 4.740 -0.000 0.000 0.285 704 N C -0.229 175.242 175.510 -0.066 0.000 1.144 704 N CA -0.593 52.442 53.050 -0.025 0.000 0.978 704 N CB 0.494 38.969 38.487 -0.020 0.000 1.180 704 N HN 0.054 nan 8.380 nan 0.000 0.484 705 A N 0.264 123.038 122.820 -0.077 0.000 2.332 705 A HA 0.534 4.854 4.320 -0.000 0.000 0.258 705 A C 0.578 178.050 177.584 -0.187 0.000 1.087 705 A CA -0.197 51.758 52.037 -0.137 0.000 0.802 705 A CB -0.032 18.910 19.000 -0.096 0.000 1.042 705 A HN 0.737 nan 8.150 nan 0.000 0.489 706 T N -2.947 111.410 114.554 -0.329 0.000 2.762 706 T HA 0.625 4.975 4.350 -0.000 0.000 0.272 706 T C 0.934 175.481 174.700 -0.255 0.000 0.982 706 T CA 0.057 61.952 62.100 -0.341 0.000 1.013 706 T CB 1.106 69.544 68.868 -0.715 0.000 1.309 706 T HN 1.293 nan 8.240 nan 0.000 0.572 707 A N -0.251 122.519 122.820 -0.084 0.000 2.168 707 A HA 0.168 4.488 4.320 -0.000 0.000 0.215 707 A C 1.401 179.112 177.584 0.212 0.000 1.152 707 A CA 0.629 52.739 52.037 0.122 0.000 0.716 707 A CB -0.775 18.381 19.000 0.260 0.000 0.794 707 A HN 0.896 nan 8.150 nan 0.000 0.465 708 W N -0.775 120.559 121.300 0.057 0.000 2.284 708 W HA 0.459 5.119 4.660 -0.000 0.000 0.334 708 W C -0.347 176.126 176.519 -0.077 0.000 0.917 708 W CA 0.332 57.667 57.345 -0.016 0.000 1.621 708 W CB -1.247 28.182 29.460 -0.052 0.000 1.129 708 W HN 0.431 nan 8.180 nan 0.000 0.528 709 S N -0.104 115.159 115.700 -0.730 0.000 2.552 709 S HA 0.366 4.836 4.470 -0.000 0.000 0.272 709 S C -0.674 173.674 174.600 -0.420 0.000 1.150 709 S CA -0.712 57.073 58.200 -0.693 0.000 0.849 709 S CB 2.523 64.935 63.200 -1.314 0.000 1.113 709 S HN 0.079 nan 8.310 nan 0.000 0.458 710 E N 0.897 120.977 120.200 -0.199 0.000 2.371 710 E HA 0.532 4.882 4.350 -0.000 0.000 0.257 710 E C 0.447 177.012 176.600 -0.058 0.000 1.134 710 E CA -0.528 55.823 56.400 -0.082 0.000 0.919 710 E CB 0.950 30.651 29.700 0.003 0.000 1.025 710 E HN 0.890 nan 8.360 nan 0.000 0.438 711 A N -0.020 122.782 122.820 -0.029 0.000 2.407 711 A HA 0.445 4.765 4.320 -0.000 0.000 0.248 711 A C 1.085 178.689 177.584 0.034 0.000 1.082 711 A CA 0.591 52.623 52.037 -0.007 0.000 0.785 711 A CB -0.112 18.887 19.000 -0.002 0.000 1.020 711 A HN 0.754 nan 8.150 nan 0.000 0.489 712 G N 0.076 108.906 108.800 0.050 0.000 2.157 712 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.248 712 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.248 712 G C 0.312 175.268 174.900 0.094 0.000 0.979 712 G CA 0.421 45.559 45.100 0.065 0.000 0.650 712 G HN 1.313 nan 8.290 nan 0.000 0.529 713 H N 0.586 119.665 119.070 0.016 0.000 2.897 713 H HA 0.323 4.879 4.556 -0.000 0.000 0.347 713 H C 0.374 175.769 175.328 0.113 0.000 1.068 713 H CA 0.398 56.480 56.048 0.055 0.000 1.426 713 H CB 0.353 30.126 29.762 0.018 0.000 1.410 713 H HN 0.237 nan 8.280 nan 0.000 0.597 714 I N 4.640 124.945 120.570 -0.443 0.000 2.304 714 I HA -0.055 4.115 4.170 -0.000 0.000 0.291 714 I C 1.383 177.489 176.117 -0.019 0.000 1.018 714 I CA -0.207 61.021 61.300 -0.120 0.000 1.260 714 I CB 1.670 39.660 38.000 -0.017 0.000 1.390 714 I HN 0.584 nan 8.210 nan 0.000 0.475 715 S N 4.490 120.363 115.700 0.289 0.000 2.439 715 S HA 0.407 4.876 4.470 -0.000 0.000 0.224 715 S C 0.692 175.528 174.600 0.393 0.000 1.029 715 S CA 0.085 58.550 58.200 0.443 0.000 0.946 715 S CB 0.465 63.996 63.200 0.552 0.000 0.797 715 S HN 0.757 nan 8.310 nan 0.000 0.504 716 A N 0.152 123.222 122.820 0.417 0.000 2.586 716 A HA 0.661 4.981 4.320 -0.000 0.000 0.291 716 A C -1.924 175.937 177.584 0.462 0.000 1.062 716 A CA -0.830 51.378 52.037 0.284 0.000 0.666 716 A CB 0.299 19.507 19.000 0.348 0.000 1.281 716 A HN 0.901 nan 8.150 nan 0.000 0.421 717 W N -0.884 120.580 121.300 0.273 0.000 2.989 717 W HA 0.781 5.441 4.660 -0.000 0.000 0.344 717 W C -1.182 175.333 176.519 -0.006 0.000 1.233 717 W CA -0.412 56.962 57.345 0.047 0.000 1.187 717 W CB 0.909 30.366 29.460 -0.004 0.000 1.443 717 W HN 1.296 nan 8.180 nan 0.000 0.573 718 Q N 1.455 121.287 119.800 0.053 0.000 2.666 718 Q HA 0.396 4.736 4.340 -0.000 0.000 0.276 718 Q C -1.692 174.062 176.000 -0.411 0.000 0.952 718 Q CA -0.633 55.040 55.803 -0.217 0.000 0.850 718 Q CB 1.893 30.338 28.738 -0.489 0.000 1.512 718 Q HN 0.712 nan 8.270 nan 0.000 0.395 719 Q N 2.120 121.636 119.800 -0.473 0.000 2.456 719 Q HA 0.611 4.951 4.340 -0.000 0.000 0.284 719 Q C -1.302 174.501 176.000 -0.328 0.000 1.061 719 Q CA -0.741 54.907 55.803 -0.259 0.000 0.799 719 Q CB 1.925 30.787 28.738 0.207 0.000 1.445 719 Q HN 0.665 nan 8.270 nan 0.000 0.411 720 W N 0.912 122.356 121.300 0.240 0.000 2.882 720 W HA 0.523 5.183 4.660 -0.000 0.000 0.345 720 W C -0.143 176.279 176.519 -0.160 0.000 1.125 720 W CA -0.898 56.494 57.345 0.078 0.000 1.167 720 W CB 2.044 31.511 29.460 0.012 0.000 1.431 720 W HN 0.531 nan 8.180 nan 0.000 0.543 721 R N 2.388 122.689 120.500 -0.333 0.000 2.230 721 R HA 0.239 4.579 4.340 -0.000 0.000 0.337 721 R C 1.020 177.071 176.300 -0.415 0.000 1.063 721 R CA -0.165 55.375 56.100 -0.933 0.000 0.935 721 R CB 0.413 29.956 30.300 -1.263 0.000 1.121 721 R HN 0.562 nan 8.270 nan 0.000 0.486 722 L N 1.970 123.019 121.223 -0.290 0.000 1.988 722 L HA -0.001 4.339 4.340 -0.000 0.000 0.207 722 L C 1.034 177.810 176.870 -0.155 0.000 1.071 722 L CA 1.406 56.154 54.840 -0.153 0.000 0.744 722 L CB -0.211 41.804 42.059 -0.074 0.000 0.893 722 L HN 0.579 nan 8.230 nan 0.000 0.433 723 A N -0.815 121.902 122.820 -0.172 0.000 2.588 723 A HA 0.623 4.943 4.320 -0.000 0.000 0.290 723 A C -1.407 176.098 177.584 -0.131 0.000 1.136 723 A CA -0.420 51.542 52.037 -0.125 0.000 0.681 723 A CB 1.890 20.848 19.000 -0.070 0.000 1.282 723 A HN 0.105 nan 8.150 nan 0.000 0.421 724 E N 0.308 120.459 120.200 -0.082 0.000 2.290 724 E HA 0.508 4.858 4.350 -0.000 0.000 0.274 724 E C -1.819 174.769 176.600 -0.020 0.000 0.889 724 E CA -0.638 55.730 56.400 -0.053 0.000 0.760 724 E CB 1.333 30.999 29.700 -0.058 0.000 1.206 724 E HN 0.497 nan 8.360 nan 0.000 0.419 725 N N 4.483 123.185 118.700 0.002 0.000 2.518 725 N HA 0.304 5.044 4.740 -0.000 0.000 0.254 725 N C -0.758 174.766 175.510 0.024 0.000 0.979 725 N CA -0.408 52.650 53.050 0.012 0.000 0.930 725 N CB 1.157 39.654 38.487 0.016 0.000 1.152 725 N HN 0.535 nan 8.380 nan 0.000 0.505 726 L N 0.840 122.075 121.223 0.021 0.000 2.456 726 L HA 0.099 4.439 4.340 -0.000 0.000 0.272 726 L C 1.047 177.937 176.870 0.032 0.000 1.189 726 L CA 0.159 55.016 54.840 0.029 0.000 0.846 726 L CB 0.618 42.691 42.059 0.024 0.000 1.111 726 L HN 0.430 nan 8.230 nan 0.000 0.475 727 S N 2.422 118.146 115.700 0.040 0.000 2.465 727 S HA 0.329 4.799 4.470 -0.000 0.000 0.279 727 S C 0.167 174.788 174.600 0.034 0.000 1.201 727 S CA -0.874 57.350 58.200 0.039 0.000 1.053 727 S CB 0.875 64.103 63.200 0.047 0.000 0.953 727 S HN 0.391 nan 8.310 nan 0.000 0.488 728 V N 2.858 122.790 119.914 0.029 0.000 2.940 728 V HA 0.335 4.455 4.120 -0.000 0.000 0.366 728 V C 0.515 176.623 176.094 0.024 0.000 1.353 728 V CA -0.322 61.993 62.300 0.025 0.000 1.232 728 V CB -0.957 30.878 31.823 0.021 0.000 1.278 728 V HN 0.914 nan 8.190 nan 0.000 0.546 729 T N -0.998 113.572 114.554 0.026 0.000 2.829 729 T HA 0.757 5.107 4.350 -0.000 0.000 0.280 729 T C -0.389 174.324 174.700 0.023 0.000 0.999 729 T CA -0.638 61.476 62.100 0.023 0.000 0.983 729 T CB 1.982 70.862 68.868 0.021 0.000 0.968 729 T HN 0.187 nan 8.240 nan 0.000 0.446 730 L N 3.375 124.609 121.223 0.018 0.000 2.453 730 L HA 0.349 4.689 4.340 -0.000 0.000 0.272 730 L C -1.845 175.033 176.870 0.013 0.000 1.182 730 L CA -1.826 53.024 54.840 0.016 0.000 0.858 730 L CB -0.504 41.562 42.059 0.013 0.000 1.120 730 L HN 0.486 nan 8.230 nan 0.000 0.474 731 P HA 0.151 nan 4.420 nan 0.000 0.267 731 P C -0.218 177.080 177.300 -0.003 0.000 1.209 731 P CA -0.208 62.897 63.100 0.007 0.000 0.763 731 P CB 0.797 32.501 31.700 0.007 0.000 0.816 732 A N 3.533 126.348 122.820 -0.009 0.000 2.346 732 A HA 0.486 4.806 4.320 -0.000 0.000 0.255 732 A C 0.568 178.128 177.584 -0.040 0.000 1.113 732 A CA 0.011 52.038 52.037 -0.018 0.000 0.798 732 A CB -0.435 18.557 19.000 -0.014 0.000 1.073 732 A HN 0.638 nan 8.150 nan 0.000 0.502 733 A N 0.481 123.274 122.820 -0.045 0.000 2.531 733 A HA 0.467 4.787 4.320 -0.000 0.000 0.236 733 A C 0.623 178.097 177.584 -0.183 0.000 1.062 733 A CA 0.581 52.578 52.037 -0.068 0.000 0.760 733 A CB -0.559 18.431 19.000 -0.016 0.000 0.995 733 A HN 1.492 nan 8.150 nan 0.000 0.501 734 S N 1.440 117.051 115.700 -0.147 0.000 2.454 734 S HA 0.475 4.945 4.470 -0.000 0.000 0.306 734 S C 0.270 174.792 174.600 -0.129 0.000 1.100 734 S CA -0.615 57.466 58.200 -0.199 0.000 1.087 734 S CB 1.005 64.153 63.200 -0.087 0.000 1.019 734 S HN 0.743 nan 8.310 nan 0.000 0.480 735 H N 1.878 120.954 119.070 0.011 0.000 2.307 735 H HA 0.187 4.743 4.556 -0.000 0.000 0.303 735 H C 1.532 176.866 175.328 0.009 0.000 1.073 735 H CA 0.891 56.944 56.048 0.008 0.000 1.338 735 H CB 0.029 29.795 29.762 0.007 0.000 1.389 735 H HN 0.767 nan 8.280 nan 0.000 0.503 736 A N 1.159 124.050 122.820 0.118 0.000 2.260 736 A HA 0.526 4.845 4.320 -0.000 0.000 0.278 736 A C -0.001 177.612 177.584 0.048 0.000 1.269 736 A CA -0.018 52.065 52.037 0.075 0.000 0.824 736 A CB 0.098 19.139 19.000 0.069 0.000 1.238 736 A HN 0.437 nan 8.150 nan 0.000 0.507 737 I N -2.556 118.043 120.570 0.049 0.000 2.752 737 I HA 0.500 4.670 4.170 -0.000 0.000 0.290 737 I C -2.963 173.190 176.117 0.061 0.000 1.507 737 I CA -1.762 59.561 61.300 0.038 0.000 1.038 737 I CB 2.211 40.228 38.000 0.029 0.000 1.390 737 I HN 0.407 nan 8.210 nan 0.000 0.435 738 P HA -0.013 nan 4.420 nan 0.000 0.264 738 P C -1.212 176.161 177.300 0.121 0.000 1.179 738 P CA 0.466 63.606 63.100 0.066 0.000 0.763 738 P CB 0.178 31.856 31.700 -0.036 0.000 0.806 739 H N 3.636 122.737 119.070 0.052 0.000 2.641 739 H HA 0.260 4.816 4.556 -0.000 0.000 0.295 739 H C -0.758 174.600 175.328 0.050 0.000 1.070 739 H CA -1.039 55.034 56.048 0.041 0.000 1.257 739 H CB 0.627 30.411 29.762 0.037 0.000 1.393 739 H HN 0.204 nan 8.280 nan 0.000 0.464 740 L N 5.591 126.630 121.223 -0.307 0.000 2.360 740 L HA 0.194 4.534 4.340 -0.000 0.000 0.276 740 L C -0.514 176.055 176.870 -0.501 0.000 1.121 740 L CA 0.294 54.949 54.840 -0.309 0.000 0.845 740 L CB 1.034 42.998 42.059 -0.159 0.000 1.143 740 L HN 0.571 nan 8.230 nan 0.000 0.452 741 T N 4.142 118.520 114.554 -0.294 0.000 2.833 741 T HA 0.434 4.784 4.350 -0.000 0.000 0.297 741 T C 0.095 174.821 174.700 0.043 0.000 1.015 741 T CA -0.482 61.522 62.100 -0.160 0.000 0.963 741 T CB 0.840 69.623 68.868 -0.141 0.000 0.955 741 T HN 0.697 nan 8.240 nan 0.000 0.449 742 T N 2.184 116.785 114.554 0.080 0.000 2.824 742 T HA 0.718 5.068 4.350 -0.000 0.000 0.277 742 T C 0.202 174.932 174.700 0.050 0.000 0.975 742 T CA -0.730 61.463 62.100 0.155 0.000 0.966 742 T CB 1.255 70.242 68.868 0.198 0.000 1.054 742 T HN 0.624 nan 8.240 nan 0.000 0.533 743 S N -1.193 114.497 115.700 -0.016 0.000 2.565 743 S HA 0.195 4.665 4.470 -0.000 0.000 0.274 743 S C 0.621 175.153 174.600 -0.114 0.000 1.144 743 S CA -0.723 57.445 58.200 -0.054 0.000 0.849 743 S CB 1.171 64.341 63.200 -0.051 0.000 1.103 743 S HN 0.695 nan 8.310 nan 0.000 0.455 744 E N 2.124 122.276 120.200 -0.081 0.000 2.097 744 E HA -0.177 4.173 4.350 -0.000 0.000 0.196 744 E C 1.447 177.962 176.600 -0.142 0.000 1.000 744 E CA 1.635 57.979 56.400 -0.094 0.000 0.804 744 E CB -0.255 29.410 29.700 -0.060 0.000 0.740 744 E HN 0.706 nan 8.360 nan 0.000 0.454 745 M N 0.601 120.128 119.600 -0.122 0.000 2.558 745 M HA 0.004 4.484 4.480 -0.000 0.000 0.255 745 M C -0.148 176.053 176.300 -0.164 0.000 1.113 745 M CA 0.573 55.802 55.300 -0.118 0.000 1.097 745 M CB -0.148 32.416 32.600 -0.059 0.000 1.426 745 M HN 0.088 nan 8.290 nan 0.000 0.488 746 D N -1.696 118.559 120.400 -0.242 0.000 2.992 746 D HA 0.399 5.039 4.640 -0.000 0.000 0.349 746 D C -1.288 174.789 176.300 -0.372 0.000 1.393 746 D CA -0.697 53.142 54.000 -0.268 0.000 0.887 746 D CB 0.745 41.524 40.800 -0.034 0.000 1.447 746 D HN -0.177 nan 8.370 nan 0.000 0.524 747 F N -0.252 119.755 119.950 0.094 0.000 2.562 747 F HA 0.545 5.072 4.527 -0.000 0.000 0.319 747 F C -0.807 175.076 175.800 0.138 0.000 1.154 747 F CA -1.541 56.505 58.000 0.078 0.000 0.931 747 F CB 2.077 41.108 39.000 0.051 0.000 1.198 747 F HN 0.606 nan 8.300 nan 0.000 0.444 748 C N 5.529 124.983 119.300 0.257 0.000 2.345 748 C HA 0.803 5.263 4.460 -0.000 0.000 0.323 748 C C -0.731 174.353 174.990 0.155 0.000 1.276 748 C CA -0.510 58.626 59.018 0.195 0.000 1.543 748 C CB -0.284 27.505 27.740 0.082 0.000 2.211 748 C HN 0.502 nan 8.230 nan 0.000 0.493 749 I N 5.453 126.188 120.570 0.276 0.000 2.354 749 I HA 0.466 4.636 4.170 -0.000 0.000 0.292 749 I C 0.189 176.532 176.117 0.377 0.000 0.989 749 I CA -0.372 61.082 61.300 0.258 0.000 1.188 749 I CB 1.354 39.502 38.000 0.246 0.000 1.342 749 I HN 0.672 nan 8.210 nan 0.000 0.457 750 E N 6.277 126.628 120.200 0.252 0.000 2.299 750 E HA 0.847 5.197 4.350 -0.000 0.000 0.265 750 E C -1.152 175.625 176.600 0.295 0.000 0.911 750 E CA -1.128 55.428 56.400 0.261 0.000 0.789 750 E CB 2.897 32.685 29.700 0.147 0.000 1.246 750 E HN 0.400 nan 8.360 nan 0.000 0.427 751 L N 0.884 122.264 121.223 0.262 0.000 3.007 751 L HA 0.384 4.724 4.340 -0.000 0.000 0.237 751 L C -0.100 176.857 176.870 0.144 0.000 0.965 751 L CA 0.555 55.529 54.840 0.224 0.000 1.116 751 L CB 0.540 42.783 42.059 0.306 0.000 1.491 751 L HN 0.960 nan 8.230 nan 0.000 0.565 752 G N 3.440 112.289 108.800 0.081 0.000 2.539 752 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.256 752 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.256 752 G C 0.556 175.456 174.900 0.001 0.000 1.233 752 G CA 0.356 45.479 45.100 0.038 0.000 0.936 752 G HN 1.214 nan 8.290 nan 0.000 0.571 753 N N 1.209 119.895 118.700 -0.023 0.000 2.609 753 N HA -0.028 4.712 4.740 -0.000 0.000 0.190 753 N C 0.528 175.975 175.510 -0.105 0.000 1.157 753 N CA 1.555 54.571 53.050 -0.058 0.000 0.918 753 N CB -0.157 38.298 38.487 -0.053 0.000 0.978 753 N HN 0.850 nan 8.380 nan 0.000 0.448 754 K N 0.425 120.743 120.400 -0.136 0.000 2.156 754 K HA 0.523 4.843 4.320 -0.000 0.000 0.254 754 K C -0.301 176.064 176.600 -0.392 0.000 0.950 754 K CA -0.649 55.427 56.287 -0.352 0.000 0.849 754 K CB 1.901 34.065 32.500 -0.561 0.000 1.100 754 K HN -0.005 nan 8.250 nan 0.000 0.434 755 R N 1.111 121.302 120.500 -0.515 0.000 2.725 755 R HA 0.431 4.771 4.340 -0.000 0.000 0.277 755 R C -1.198 174.895 176.300 -0.345 0.000 0.987 755 R CA -0.882 55.081 56.100 -0.229 0.000 0.901 755 R CB 1.956 32.202 30.300 -0.091 0.000 1.207 755 R HN 0.555 nan 8.270 nan 0.000 0.463 756 W N 2.561 123.951 121.300 0.151 0.000 2.683 756 W HA 0.298 4.958 4.660 -0.000 0.000 0.329 756 W C -0.517 176.065 176.519 0.104 0.000 1.037 756 W CA -0.451 56.927 57.345 0.056 0.000 1.232 756 W CB 2.192 31.663 29.460 0.018 0.000 1.390 756 W HN 0.461 nan 8.180 nan 0.000 0.465 757 Q N 2.961 122.879 119.800 0.197 0.000 2.337 757 Q HA 0.492 4.832 4.340 -0.000 0.000 0.266 757 Q C -1.942 174.041 176.000 -0.027 0.000 1.023 757 Q CA -0.474 55.451 55.803 0.204 0.000 0.829 757 Q CB 1.602 30.529 28.738 0.314 0.000 1.306 757 Q HN 0.383 nan 8.270 nan 0.000 0.449 758 F N 3.395 123.436 119.950 0.152 0.000 2.382 758 F HA 0.275 4.802 4.527 -0.000 0.000 0.361 758 F C 0.591 176.421 175.800 0.050 0.000 1.109 758 F CA -0.818 57.242 58.000 0.100 0.000 1.031 758 F CB 1.189 40.268 39.000 0.131 0.000 1.234 758 F HN 0.589 nan 8.300 nan 0.000 0.445 759 N N 2.852 121.650 118.700 0.163 0.000 2.345 759 N HA -0.001 4.739 4.740 -0.000 0.000 0.243 759 N C 0.749 176.273 175.510 0.022 0.000 1.246 759 N CA 0.544 53.637 53.050 0.071 0.000 0.863 759 N CB 0.770 39.299 38.487 0.070 0.000 1.096 759 N HN 0.684 nan 8.380 nan 0.000 0.446 760 R N 1.659 122.099 120.500 -0.101 0.000 2.365 760 R HA 0.105 4.445 4.340 -0.000 0.000 0.223 760 R C 1.311 177.538 176.300 -0.123 0.000 0.899 760 R CA 0.131 56.123 56.100 -0.180 0.000 1.059 760 R CB 0.437 30.471 30.300 -0.444 0.000 1.086 760 R HN 0.625 nan 8.270 nan 0.000 0.522 761 Q N -0.225 119.527 119.800 -0.080 0.000 2.134 761 Q HA -0.036 4.304 4.340 -0.000 0.000 0.195 761 Q C 2.113 178.078 176.000 -0.059 0.000 0.958 761 Q CA 1.735 57.500 55.803 -0.062 0.000 0.840 761 Q CB 0.216 28.934 28.738 -0.033 0.000 0.918 761 Q HN 0.186 nan 8.270 nan 0.000 0.467 762 S N -0.897 114.787 115.700 -0.028 0.000 2.395 762 S HA 0.059 4.529 4.470 -0.000 0.000 0.225 762 S C 1.685 176.153 174.600 -0.221 0.000 1.027 762 S CA 0.953 59.136 58.200 -0.029 0.000 0.965 762 S CB -0.022 63.254 63.200 0.128 0.000 0.812 762 S HN 0.544 nan 8.310 nan 0.000 0.482 763 G N -0.100 108.602 108.800 -0.163 0.000 2.175 763 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.244 763 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.244 763 G C -0.117 174.716 174.900 -0.113 0.000 0.982 763 G CA 0.266 45.245 45.100 -0.203 0.000 0.641 763 G HN 0.505 nan 8.290 nan 0.000 0.527 764 F N -0.462 119.679 119.950 0.317 0.000 2.523 764 F HA 0.710 5.237 4.527 -0.000 0.000 0.329 764 F C 0.505 176.385 175.800 0.135 0.000 1.061 764 F CA -1.687 56.478 58.000 0.275 0.000 0.967 764 F CB 1.240 40.348 39.000 0.179 0.000 1.218 764 F HN 0.029 nan 8.300 nan 0.000 0.480 765 L N 1.652 122.973 121.223 0.163 0.000 2.678 765 L HA 0.128 4.468 4.340 -0.000 0.000 0.276 765 L C 0.830 177.604 176.870 -0.159 0.000 1.142 765 L CA 0.837 55.389 54.840 -0.480 0.000 0.961 765 L CB -0.132 41.609 42.059 -0.530 0.000 1.291 765 L HN 0.654 nan 8.230 nan 0.000 0.476 766 S N 2.216 117.834 115.700 -0.137 0.000 2.446 766 S HA 0.073 4.543 4.470 -0.000 0.000 0.225 766 S C 0.469 174.975 174.600 -0.156 0.000 1.016 766 S CA 0.575 58.736 58.200 -0.063 0.000 0.943 766 S CB -0.030 63.169 63.200 -0.000 0.000 0.786 766 S HN 0.779 nan 8.310 nan 0.000 0.508 767 Q N -0.418 119.233 119.800 -0.248 0.000 2.687 767 Q HA 0.639 4.979 4.340 -0.000 0.000 0.295 767 Q C -1.734 173.937 176.000 -0.548 0.000 0.920 767 Q CA -0.696 54.832 55.803 -0.459 0.000 0.766 767 Q CB 1.355 29.703 28.738 -0.649 0.000 1.467 767 Q HN 0.209 nan 8.270 nan 0.000 0.415 768 M N 0.045 119.167 119.600 -0.796 0.000 2.333 768 M HA 0.683 5.163 4.480 -0.000 0.000 0.286 768 M C -2.165 173.742 176.300 -0.656 0.000 1.113 768 M CA -0.234 54.695 55.300 -0.619 0.000 0.959 768 M CB 1.583 33.852 32.600 -0.552 0.000 1.776 768 M HN 0.456 nan 8.290 nan 0.000 0.492 769 W N 4.565 125.609 121.300 -0.426 0.000 2.627 769 W HA 0.739 5.399 4.660 -0.000 0.000 0.339 769 W C -1.113 175.167 176.519 -0.397 0.000 1.058 769 W CA -0.984 56.163 57.345 -0.331 0.000 1.223 769 W CB 1.811 31.124 29.460 -0.244 0.000 1.389 769 W HN 0.593 nan 8.180 nan 0.000 0.541 770 I N 2.782 123.320 120.570 -0.053 0.000 2.476 770 I HA 0.411 4.581 4.170 -0.000 0.000 0.281 770 I C 0.663 176.755 176.117 -0.041 0.000 1.040 770 I CA -0.046 61.184 61.300 -0.118 0.000 1.094 770 I CB 1.149 39.051 38.000 -0.163 0.000 1.219 770 I HN 0.737 nan 8.210 nan 0.000 0.450 771 G N 5.859 114.635 108.800 -0.040 0.000 2.509 771 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.259 771 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.259 771 G C 0.074 174.985 174.900 0.019 0.000 1.169 771 G CA 0.400 45.486 45.100 -0.022 0.000 0.953 771 G HN 0.746 nan 8.290 nan 0.000 0.563 772 D N 0.767 121.189 120.400 0.037 0.000 2.368 772 D HA 0.256 4.896 4.640 -0.000 0.000 0.218 772 D C 0.488 176.891 176.300 0.172 0.000 1.112 772 D CA 0.199 54.247 54.000 0.081 0.000 0.834 772 D CB 0.120 40.932 40.800 0.020 0.000 0.953 772 D HN 0.619 nan 8.370 nan 0.000 0.505 773 K N 1.063 121.543 120.400 0.135 0.000 2.263 773 K HA 0.324 4.644 4.320 -0.000 0.000 0.272 773 K C 0.024 176.593 176.600 -0.052 0.000 1.033 773 K CA -0.616 55.699 56.287 0.048 0.000 0.884 773 K CB 2.003 34.496 32.500 -0.011 0.000 1.107 773 K HN -0.115 nan 8.250 nan 0.000 0.460 774 K N 1.926 122.206 120.400 -0.199 0.000 2.319 774 K HA 0.029 4.349 4.320 -0.000 0.000 0.265 774 K C 0.636 177.021 176.600 -0.358 0.000 1.000 774 K CA -0.380 55.564 56.287 -0.571 0.000 0.943 774 K CB 0.574 32.762 32.500 -0.520 0.000 0.950 774 K HN 0.452 nan 8.250 nan 0.000 0.485 775 Q N 0.639 120.203 119.800 -0.394 0.000 2.353 775 Q HA 0.204 4.544 4.340 -0.000 0.000 0.240 775 Q C 0.126 176.020 176.000 -0.177 0.000 0.868 775 Q CA 0.547 56.231 55.803 -0.198 0.000 0.944 775 Q CB 0.510 29.184 28.738 -0.107 0.000 1.104 775 Q HN 0.498 nan 8.270 nan 0.000 0.531 776 L N 1.080 122.152 121.223 -0.251 0.000 2.329 776 L HA 0.382 4.722 4.340 -0.000 0.000 0.279 776 L C 0.908 177.643 176.870 -0.225 0.000 1.014 776 L CA -0.354 54.364 54.840 -0.204 0.000 0.814 776 L CB 1.485 43.434 42.059 -0.183 0.000 1.257 776 L HN -0.072 nan 8.230 nan 0.000 0.424 777 L N 1.150 122.230 121.223 -0.237 0.000 2.529 777 L HA 0.204 4.544 4.340 -0.000 0.000 0.223 777 L C 0.024 176.762 176.870 -0.221 0.000 1.113 777 L CA 0.627 55.328 54.840 -0.232 0.000 0.861 777 L CB 0.193 42.096 42.059 -0.260 0.000 1.012 777 L HN 0.663 nan 8.230 nan 0.000 0.461 778 T N -0.641 113.772 114.554 -0.235 0.000 2.956 778 T HA 0.354 4.704 4.350 -0.000 0.000 0.312 778 T C -2.695 171.936 174.700 -0.116 0.000 1.151 778 T CA -1.093 60.906 62.100 -0.167 0.000 1.024 778 T CB 2.452 71.187 68.868 -0.222 0.000 1.140 778 T HN -0.290 nan 8.240 nan 0.000 0.473 779 P HA 0.198 nan 4.420 nan 0.000 0.271 779 P C -0.491 176.788 177.300 -0.036 0.000 1.233 779 P CA -0.749 62.337 63.100 -0.024 0.000 0.789 779 P CB 0.481 32.211 31.700 0.050 0.000 0.951 780 L N 2.769 124.007 121.223 0.025 0.000 2.456 780 L HA 0.161 4.501 4.340 -0.000 0.000 0.277 780 L C 0.720 177.511 176.870 -0.131 0.000 1.124 780 L CA 0.569 55.444 54.840 0.059 0.000 0.880 780 L CB -0.905 41.304 42.059 0.250 0.000 1.192 780 L HN 0.403 nan 8.230 nan 0.000 0.463 781 R N 2.032 122.380 120.500 -0.254 0.000 2.808 781 R HA 0.640 4.980 4.340 -0.000 0.000 0.272 781 R C -1.156 174.957 176.300 -0.311 0.000 0.995 781 R CA -1.095 54.682 56.100 -0.537 0.000 0.917 781 R CB 0.873 30.658 30.300 -0.858 0.000 1.217 781 R HN 0.378 nan 8.270 nan 0.000 0.471 782 D N 0.995 121.232 120.400 -0.272 0.000 2.372 782 D HA 0.070 4.710 4.640 -0.000 0.000 0.243 782 D C -0.616 175.213 176.300 -0.785 0.000 1.121 782 D CA 0.023 53.729 54.000 -0.489 0.000 0.898 782 D CB 0.742 41.168 40.800 -0.623 0.000 1.202 782 D HN 0.325 nan 8.370 nan 0.000 0.428 783 Q N 0.893 120.087 119.800 -1.009 0.000 2.304 783 Q HA 0.332 4.672 4.340 -0.000 0.000 0.270 783 Q C -1.165 174.124 176.000 -1.184 0.000 1.035 783 Q CA -0.659 54.605 55.803 -0.898 0.000 0.781 783 Q CB 0.855 29.297 28.738 -0.493 0.000 1.261 783 Q HN 0.469 nan 8.270 nan 0.000 0.444 784 F N 0.878 120.446 119.950 -0.636 0.000 2.698 784 F HA 0.210 4.737 4.527 -0.000 0.000 0.304 784 F C 0.477 175.892 175.800 -0.641 0.000 1.108 784 F CA -0.127 57.409 58.000 -0.773 0.000 1.263 784 F CB 1.081 39.288 39.000 -1.321 0.000 1.013 784 F HN 0.376 nan 8.300 nan 0.000 0.532 785 T N -1.367 112.911 114.554 -0.460 0.000 2.812 785 T HA 0.781 5.131 4.350 -0.000 0.000 0.294 785 T C -0.717 173.747 174.700 -0.394 0.000 1.159 785 T CA -1.044 60.733 62.100 -0.538 0.000 1.008 785 T CB 3.108 71.659 68.868 -0.529 0.000 1.289 785 T HN 0.241 nan 8.240 nan 0.000 0.514 786 R N -0.085 120.215 120.500 -0.333 0.000 2.774 786 R HA 0.762 5.102 4.340 -0.000 0.000 0.272 786 R C -0.989 175.361 176.300 0.084 0.000 1.000 786 R CA -1.122 54.907 56.100 -0.118 0.000 0.906 786 R CB 1.630 31.865 30.300 -0.108 0.000 1.227 786 R HN 0.878 nan 8.270 nan 0.000 0.468 787 A N 3.611 126.466 122.820 0.058 0.000 2.444 787 A HA 0.295 4.615 4.320 -0.000 0.000 0.287 787 A C -2.008 175.635 177.584 0.098 0.000 1.195 787 A CA -1.459 50.609 52.037 0.052 0.000 0.858 787 A CB -0.473 18.509 19.000 -0.029 0.000 1.117 787 A HN 0.534 nan 8.150 nan 0.000 0.521 788 P HA 0.034 nan 4.420 nan 0.000 0.261 788 P C -0.056 177.345 177.300 0.169 0.000 1.183 788 P CA 0.525 63.764 63.100 0.231 0.000 0.761 788 P CB 0.281 32.157 31.700 0.294 0.000 0.785 789 L N 2.452 123.745 121.223 0.116 0.000 2.475 789 L HA 0.140 4.480 4.340 -0.000 0.000 0.250 789 L C 1.900 178.775 176.870 0.007 0.000 1.224 789 L CA -0.386 54.463 54.840 0.015 0.000 0.821 789 L CB -0.144 41.863 42.059 -0.087 0.000 1.141 789 L HN 0.304 nan 8.230 nan 0.000 0.494 790 D N 0.264 120.600 120.400 -0.106 0.000 2.123 790 D HA -0.154 4.486 4.640 -0.000 0.000 0.196 790 D C 1.691 177.910 176.300 -0.135 0.000 0.992 790 D CA 1.415 55.288 54.000 -0.213 0.000 0.833 790 D CB 0.046 40.648 40.800 -0.331 0.000 0.954 790 D HN 0.483 nan 8.370 nan 0.000 0.455 791 N N 1.153 119.797 118.700 -0.093 0.000 2.223 791 N HA -0.116 4.624 4.740 -0.000 0.000 0.185 791 N C 1.164 176.695 175.510 0.034 0.000 1.016 791 N CA 0.781 53.807 53.050 -0.041 0.000 0.863 791 N CB -0.285 38.166 38.487 -0.060 0.000 0.983 791 N HN 0.270 nan 8.380 nan 0.000 0.429 792 D N 0.131 120.571 120.400 0.067 0.000 2.264 792 D HA -0.016 4.624 4.640 -0.000 0.000 0.208 792 D C 1.867 178.232 176.300 0.109 0.000 0.966 792 D CA 0.524 54.608 54.000 0.139 0.000 0.864 792 D CB 0.175 41.136 40.800 0.267 0.000 0.933 792 D HN 0.380 nan 8.370 nan 0.000 0.499 793 I N 0.061 120.668 120.570 0.061 0.000 2.512 793 I HA 0.095 4.265 4.170 -0.000 0.000 0.247 793 I C 1.910 178.046 176.117 0.032 0.000 1.094 793 I CA 0.649 61.969 61.300 0.034 0.000 1.427 793 I CB -0.439 37.550 38.000 -0.019 0.000 1.149 793 I HN 0.067 nan 8.210 nan 0.000 0.438 794 G N 1.555 110.375 108.800 0.034 0.000 2.561 794 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.289 794 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.289 794 G C 0.661 175.740 174.900 0.297 0.000 1.169 794 G CA 0.816 46.019 45.100 0.171 0.000 0.980 794 G HN 0.660 nan 8.290 nan 0.000 0.550 795 V N -1.617 118.453 119.914 0.260 0.000 3.421 795 V HA 0.655 4.775 4.120 -0.000 0.000 0.316 795 V C 1.094 177.249 176.094 0.101 0.000 1.347 795 V CA 1.192 63.617 62.300 0.209 0.000 1.183 795 V CB 0.146 31.985 31.823 0.027 0.000 1.092 795 V HN 1.157 nan 8.190 nan 0.000 0.433 796 S N 1.469 117.215 115.700 0.076 0.000 2.516 796 S HA 0.294 4.764 4.470 -0.000 0.000 0.282 796 S C -0.017 174.609 174.600 0.042 0.000 1.286 796 S CA 0.000 58.225 58.200 0.041 0.000 1.066 796 S CB 0.184 63.399 63.200 0.026 0.000 0.884 796 S HN 0.815 nan 8.310 nan 0.000 0.491 797 E N 2.060 122.280 120.200 0.033 0.000 2.227 797 E HA 0.505 4.855 4.350 -0.000 0.000 0.268 797 E C 0.713 177.333 176.600 0.034 0.000 0.907 797 E CA -0.569 55.853 56.400 0.037 0.000 0.786 797 E CB 1.473 31.192 29.700 0.032 0.000 1.191 797 E HN 0.674 nan 8.360 nan 0.000 0.411 798 A N 1.901 124.746 122.820 0.042 0.000 2.042 798 A HA -0.216 4.104 4.320 -0.000 0.000 0.222 798 A C 1.762 179.365 177.584 0.031 0.000 1.167 798 A CA 2.380 54.441 52.037 0.040 0.000 0.649 798 A CB -0.523 18.505 19.000 0.047 0.000 0.809 798 A HN 0.640 nan 8.150 nan 0.000 0.457 799 T N -1.671 112.900 114.554 0.028 0.000 3.010 799 T HA 0.144 4.494 4.350 -0.000 0.000 0.252 799 T C 1.030 175.737 174.700 0.012 0.000 1.047 799 T CA 0.408 62.520 62.100 0.020 0.000 1.140 799 T CB 0.136 69.015 68.868 0.019 0.000 0.885 799 T HN 0.358 nan 8.240 nan 0.000 0.464 800 R N 1.027 121.533 120.500 0.010 0.000 2.363 800 R HA 0.482 4.822 4.340 -0.000 0.000 0.297 800 R C -1.123 175.179 176.300 0.003 0.000 1.208 800 R CA -0.280 55.820 56.100 -0.000 0.000 1.121 800 R CB 0.691 30.984 30.300 -0.012 0.000 1.124 800 R HN 0.304 nan 8.270 nan 0.000 0.561 801 I N 1.559 122.131 120.570 0.003 0.000 2.519 801 I HA 0.007 4.177 4.170 -0.000 0.000 0.287 801 I C 0.350 176.461 176.117 -0.010 0.000 1.047 801 I CA 0.097 61.399 61.300 0.003 0.000 1.381 801 I CB 0.871 38.874 38.000 0.004 0.000 1.417 801 I HN 0.363 nan 8.210 nan 0.000 0.540 802 D N 8.338 128.729 120.400 -0.014 0.000 2.464 802 D HA 0.280 4.920 4.640 -0.000 0.000 0.243 802 D C -1.808 174.459 176.300 -0.055 0.000 1.104 802 D CA -2.433 51.549 54.000 -0.030 0.000 0.883 802 D CB 1.409 42.196 40.800 -0.022 0.000 1.050 802 D HN 0.068 nan 8.370 nan 0.000 0.524 803 P HA -0.193 nan 4.420 nan 0.000 0.218 803 P C 0.644 177.858 177.300 -0.143 0.000 1.150 803 P CA 1.146 64.195 63.100 -0.085 0.000 0.841 803 P CB 0.187 31.843 31.700 -0.075 0.000 0.784 804 N N -0.507 118.102 118.700 -0.152 0.000 2.446 804 N HA 0.053 4.793 4.740 -0.000 0.000 0.179 804 N C 0.900 176.229 175.510 -0.302 0.000 1.054 804 N CA 0.256 53.163 53.050 -0.239 0.000 0.905 804 N CB -0.342 38.018 38.487 -0.212 0.000 0.973 804 N HN 0.105 nan 8.380 nan 0.000 0.448 805 A N 0.742 123.444 122.820 -0.196 0.000 2.520 805 A HA 0.005 4.325 4.320 -0.000 0.000 0.235 805 A C 0.824 178.245 177.584 -0.273 0.000 1.065 805 A CA -0.319 51.613 52.037 -0.175 0.000 0.764 805 A CB -0.005 18.961 19.000 -0.057 0.000 1.002 805 A HN 0.355 nan 8.150 nan 0.000 0.502 806 W N 1.605 122.672 121.300 -0.390 0.000 2.315 806 W HA -0.188 4.472 4.660 -0.000 0.000 0.323 806 W C 2.249 178.271 176.519 -0.827 0.000 1.233 806 W CA 1.738 58.592 57.345 -0.820 0.000 1.267 806 W CB -0.372 28.461 29.460 -1.045 0.000 1.160 806 W HN 0.541 nan 8.180 nan 0.000 0.474 807 V N 1.004 120.885 119.914 -0.055 0.000 2.660 807 V HA -0.266 3.854 4.120 -0.000 0.000 0.257 807 V C 1.939 178.155 176.094 0.203 0.000 1.088 807 V CA 2.018 64.505 62.300 0.311 0.000 1.106 807 V CB -0.364 31.643 31.823 0.307 0.000 0.686 807 V HN 0.160 nan 8.190 nan 0.000 0.481 808 E N -0.429 119.785 120.200 0.023 0.000 2.170 808 E HA -0.074 4.276 4.350 -0.000 0.000 0.191 808 E C 2.352 178.940 176.600 -0.021 0.000 0.981 808 E CA 0.507 56.917 56.400 0.016 0.000 0.830 808 E CB -0.165 29.519 29.700 -0.028 0.000 0.775 808 E HN 0.621 nan 8.360 nan 0.000 0.470 809 R N 0.214 120.628 120.500 -0.143 0.000 2.070 809 R HA -0.116 4.223 4.340 -0.000 0.000 0.233 809 R C 2.270 178.538 176.300 -0.053 0.000 1.137 809 R CA 1.206 57.194 56.100 -0.186 0.000 0.945 809 R CB -0.304 29.759 30.300 -0.394 0.000 0.845 809 R HN 0.243 nan 8.270 nan 0.000 0.430 810 W N 1.704 122.957 121.300 -0.078 0.000 2.317 810 W HA -0.146 4.514 4.660 -0.000 0.000 0.318 810 W C 2.124 178.628 176.519 -0.024 0.000 1.227 810 W CA 0.738 57.953 57.345 -0.217 0.000 1.269 810 W CB -0.889 28.522 29.460 -0.083 0.000 1.155 810 W HN 0.145 nan 8.180 nan 0.000 0.484 811 K N -0.172 120.473 120.400 0.409 0.000 2.032 811 K HA -0.131 4.189 4.320 -0.000 0.000 0.209 811 K C 2.106 178.802 176.600 0.159 0.000 1.048 811 K CA 1.837 58.334 56.287 0.351 0.000 0.927 811 K CB -0.608 32.051 32.500 0.265 0.000 0.712 811 K HN 0.017 nan 8.250 nan 0.000 0.441 812 A N 0.590 123.463 122.820 0.088 0.000 2.172 812 A HA -0.004 4.316 4.320 -0.000 0.000 0.216 812 A C 1.900 179.477 177.584 -0.012 0.000 1.154 812 A CA 1.496 53.552 52.037 0.031 0.000 0.701 812 A CB -0.258 18.749 19.000 0.012 0.000 0.789 812 A HN 0.343 nan 8.150 nan 0.000 0.465 813 A N -2.085 120.731 122.820 -0.007 0.000 2.308 813 A HA 0.450 4.770 4.320 -0.000 0.000 0.217 813 A C 1.760 179.300 177.584 -0.073 0.000 1.216 813 A CA 1.035 53.070 52.037 -0.003 0.000 0.864 813 A CB -0.632 18.390 19.000 0.036 0.000 0.902 813 A HN 1.708 nan 8.150 nan 0.000 0.499 814 G N -0.880 107.827 108.800 -0.155 0.000 2.184 814 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.264 814 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.264 814 G C 0.839 175.819 174.900 0.133 0.000 0.975 814 G CA 0.861 45.795 45.100 -0.277 0.000 0.642 814 G HN 0.713 nan 8.290 nan 0.000 0.536 815 H N -1.272 117.793 119.070 -0.009 0.000 2.368 815 H HA -0.243 4.313 4.556 -0.000 0.000 0.292 815 H C 2.288 177.600 175.328 -0.027 0.000 1.117 815 H CA 2.039 58.086 56.048 -0.003 0.000 1.231 815 H CB -0.050 29.611 29.762 -0.169 0.000 1.359 815 H HN 0.588 nan 8.280 nan 0.000 0.490 816 Y N 0.780 121.227 120.300 0.245 0.000 2.274 816 Y HA -0.168 4.382 4.550 -0.000 0.000 0.290 816 Y C 1.607 177.608 175.900 0.168 0.000 1.145 816 Y CA 1.291 59.487 58.100 0.160 0.000 1.203 816 Y CB 0.122 38.661 38.460 0.131 0.000 0.984 816 Y HN 0.408 nan 8.280 nan 0.000 0.533 817 Q N -0.766 119.241 119.800 0.344 0.000 2.506 817 Q HA 0.624 4.964 4.340 -0.000 0.000 0.380 817 Q C -0.568 175.661 176.000 0.382 0.000 0.867 817 Q CA -0.378 55.621 55.803 0.326 0.000 1.093 817 Q CB 0.659 29.578 28.738 0.301 0.000 1.388 817 Q HN 0.106 nan 8.270 nan 0.000 0.400 818 A N 1.351 124.410 122.820 0.399 0.000 2.304 818 A HA 0.473 4.793 4.320 -0.000 0.000 0.301 818 A C -0.291 177.558 177.584 0.442 0.000 1.132 818 A CA -0.561 51.752 52.037 0.460 0.000 0.819 818 A CB 0.593 19.913 19.000 0.533 0.000 1.094 818 A HN 0.461 nan 8.150 nan 0.000 0.492 819 E N 1.423 121.821 120.200 0.330 0.000 2.133 819 E HA 0.477 4.827 4.350 -0.000 0.000 0.274 819 E C -0.186 176.444 176.600 0.050 0.000 0.930 819 E CA -0.595 55.925 56.400 0.200 0.000 0.770 819 E CB 1.705 31.480 29.700 0.124 0.000 1.104 819 E HN 0.739 nan 8.360 nan 0.000 0.403 820 A N 2.682 125.403 122.820 -0.164 0.000 2.520 820 A HA 0.423 4.743 4.320 -0.000 0.000 0.235 820 A C -0.060 177.377 177.584 -0.246 0.000 1.065 820 A CA 0.191 51.848 52.037 -0.635 0.000 0.764 820 A CB 0.290 18.913 19.000 -0.628 0.000 1.002 820 A HN 0.671 nan 8.150 nan 0.000 0.502 821 A N 1.991 124.671 122.820 -0.234 0.000 2.375 821 A HA 0.555 4.875 4.320 -0.000 0.000 0.295 821 A C -0.688 176.839 177.584 -0.095 0.000 1.066 821 A CA -0.571 51.413 52.037 -0.089 0.000 0.722 821 A CB 0.754 19.731 19.000 -0.038 0.000 1.206 821 A HN 1.357 nan 8.150 nan 0.000 0.435 822 L N 3.202 124.346 121.223 -0.132 0.000 2.410 822 L HA 0.234 4.574 4.340 -0.000 0.000 0.273 822 L C 0.437 177.187 176.870 -0.201 0.000 1.144 822 L CA 0.251 54.915 54.840 -0.294 0.000 0.863 822 L CB 0.199 42.081 42.059 -0.295 0.000 1.140 822 L HN 0.755 nan 8.230 nan 0.000 0.463 823 L N 3.622 124.709 121.223 -0.228 0.000 2.537 823 L HA 0.271 4.611 4.340 -0.000 0.000 0.224 823 L C 0.290 177.096 176.870 -0.108 0.000 1.065 823 L CA 0.346 55.119 54.840 -0.112 0.000 0.860 823 L CB 0.141 42.173 42.059 -0.045 0.000 1.086 823 L HN 0.841 nan 8.230 nan 0.000 0.482 824 Q N -0.762 118.939 119.800 -0.164 0.000 2.666 824 Q HA 0.229 4.569 4.340 -0.000 0.000 0.276 824 Q C -2.095 173.832 176.000 -0.122 0.000 0.952 824 Q CA -0.535 55.203 55.803 -0.108 0.000 0.850 824 Q CB 2.478 31.183 28.738 -0.054 0.000 1.512 824 Q HN 0.003 nan 8.270 nan 0.000 0.395 825 C N 2.664 121.932 119.300 -0.054 0.000 2.817 825 C HA 0.836 5.296 4.460 -0.000 0.000 0.385 825 C C -1.298 173.724 174.990 0.054 0.000 1.050 825 C CA 0.704 59.720 59.018 -0.004 0.000 1.245 825 C CB 0.948 28.704 27.740 0.027 0.000 1.706 825 C HN 0.838 nan 8.230 nan 0.000 0.488 826 T N 2.743 117.271 114.554 -0.043 0.000 2.933 826 T HA 0.842 5.192 4.350 -0.000 0.000 0.305 826 T C -0.528 173.949 174.700 -0.372 0.000 1.092 826 T CA -0.128 61.896 62.100 -0.127 0.000 1.008 826 T CB 1.695 70.516 68.868 -0.078 0.000 1.102 826 T HN 1.628 nan 8.240 nan 0.000 0.469 827 A N 2.330 124.792 122.820 -0.596 0.000 2.320 827 A HA 0.846 5.166 4.320 -0.000 0.000 0.334 827 A C -0.695 176.658 177.584 -0.385 0.000 1.147 827 A CA -0.599 51.016 52.037 -0.704 0.000 0.820 827 A CB 1.112 19.386 19.000 -1.210 0.000 1.218 827 A HN 0.931 nan 8.150 nan 0.000 0.482 828 D N -0.180 120.047 120.400 -0.289 0.000 2.655 828 D HA 0.470 5.110 4.640 -0.000 0.000 0.229 828 D C -1.339 174.877 176.300 -0.141 0.000 1.229 828 D CA -0.014 53.880 54.000 -0.177 0.000 0.807 828 D CB 2.523 43.245 40.800 -0.130 0.000 1.514 828 D HN 0.456 nan 8.370 nan 0.000 0.444 829 T N 1.538 116.035 114.554 -0.095 0.000 2.779 829 T HA 0.559 4.909 4.350 -0.000 0.000 0.280 829 T C -0.209 174.462 174.700 -0.049 0.000 0.987 829 T CA -0.574 61.485 62.100 -0.069 0.000 0.966 829 T CB 1.215 70.054 68.868 -0.049 0.000 0.933 829 T HN 0.078 nan 8.240 nan 0.000 0.442 830 L N 1.519 122.715 121.223 -0.044 0.000 2.286 830 L HA 0.717 5.057 4.340 -0.000 0.000 0.265 830 L C 1.647 178.505 176.870 -0.020 0.000 1.012 830 L CA -0.682 54.138 54.840 -0.032 0.000 0.818 830 L CB 0.508 42.545 42.059 -0.036 0.000 1.337 830 L HN 0.726 nan 8.230 nan 0.000 0.438 831 A N 0.669 123.481 122.820 -0.014 0.000 1.859 831 A HA -0.224 4.095 4.320 -0.000 0.000 0.217 831 A C 1.319 178.899 177.584 -0.006 0.000 1.198 831 A CA 2.256 54.289 52.037 -0.007 0.000 0.629 831 A CB -0.862 18.136 19.000 -0.004 0.000 0.830 831 A HN 0.894 nan 8.150 nan 0.000 0.446 832 D N -1.886 118.508 120.400 -0.010 0.000 2.339 832 D HA 0.515 5.155 4.640 -0.000 0.000 0.217 832 D C 0.463 176.750 176.300 -0.022 0.000 1.050 832 D CA 0.839 54.832 54.000 -0.011 0.000 0.856 832 D CB 0.167 40.960 40.800 -0.011 0.000 0.922 832 D HN 0.692 nan 8.370 nan 0.000 0.518 833 A N -1.036 121.766 122.820 -0.030 0.000 2.375 833 A HA 0.532 4.852 4.320 -0.000 0.000 0.299 833 A C -1.802 175.742 177.584 -0.066 0.000 1.044 833 A CA -0.739 51.268 52.037 -0.050 0.000 0.585 833 A CB 0.394 19.355 19.000 -0.065 0.000 1.438 833 A HN 0.047 nan 8.150 nan 0.000 0.574 834 V N 0.185 120.040 119.914 -0.098 0.000 2.483 834 V HA 0.705 4.825 4.120 -0.000 0.000 0.295 834 V C -0.728 175.280 176.094 -0.144 0.000 1.035 834 V CA -0.360 61.863 62.300 -0.129 0.000 0.896 834 V CB 1.283 33.015 31.823 -0.152 0.000 0.986 834 V HN 0.893 nan 8.190 nan 0.000 0.447 835 L N 5.784 126.911 121.223 -0.159 0.000 2.372 835 L HA 0.612 4.952 4.340 -0.000 0.000 0.274 835 L C -0.780 175.959 176.870 -0.220 0.000 0.988 835 L CA -0.056 54.697 54.840 -0.146 0.000 0.833 835 L CB 1.176 43.177 42.059 -0.097 0.000 1.236 835 L HN 0.430 nan 8.230 nan 0.000 0.410 836 I N 3.511 123.931 120.570 -0.249 0.000 2.428 836 I HA 0.460 4.630 4.170 -0.000 0.000 0.296 836 I C -0.003 176.048 176.117 -0.111 0.000 0.985 836 I CA -0.287 60.792 61.300 -0.369 0.000 1.260 836 I CB 1.591 39.088 38.000 -0.839 0.000 1.389 836 I HN 0.538 nan 8.210 nan 0.000 0.484 837 T N 4.352 118.840 114.554 -0.110 0.000 2.965 837 T HA 0.456 4.806 4.350 -0.000 0.000 0.306 837 T C 0.142 174.857 174.700 0.025 0.000 0.991 837 T CA -0.509 61.597 62.100 0.009 0.000 1.001 837 T CB 1.447 70.302 68.868 -0.022 0.000 0.984 837 T HN 0.842 nan 8.240 nan 0.000 0.446 838 T N 0.251 114.881 114.554 0.127 0.000 2.841 838 T HA 0.952 5.302 4.350 -0.000 0.000 0.276 838 T C -0.704 174.044 174.700 0.079 0.000 1.003 838 T CA -1.043 61.097 62.100 0.067 0.000 0.995 838 T CB 1.939 70.919 68.868 0.186 0.000 1.260 838 T HN 0.906 nan 8.240 nan 0.000 0.581 839 A N 1.226 124.019 122.820 -0.045 0.000 2.540 839 A HA 0.569 4.889 4.320 -0.000 0.000 0.315 839 A C -1.534 175.985 177.584 -0.108 0.000 1.037 839 A CA -0.894 51.181 52.037 0.064 0.000 0.940 839 A CB -0.113 18.930 19.000 0.071 0.000 1.262 839 A HN 1.013 nan 8.150 nan 0.000 0.377 840 H N 0.511 119.641 119.070 0.101 0.000 2.731 840 H HA 0.877 5.433 4.556 -0.000 0.000 0.368 840 H C 0.188 175.584 175.328 0.113 0.000 1.168 840 H CA 0.026 56.049 56.048 -0.042 0.000 1.181 840 H CB 2.011 31.559 29.762 -0.357 0.000 1.743 840 H HN 1.135 nan 8.280 nan 0.000 0.547 841 A N 1.440 124.356 122.820 0.160 0.000 2.355 841 A HA 0.455 4.775 4.320 -0.000 0.000 0.317 841 A C -1.323 176.409 177.584 0.247 0.000 1.094 841 A CA -0.737 51.474 52.037 0.290 0.000 0.764 841 A CB 1.121 20.230 19.000 0.180 0.000 1.230 841 A HN 0.600 nan 8.150 nan 0.000 0.448 842 W N 2.029 123.492 121.300 0.272 0.000 2.429 842 W HA 0.443 5.103 4.660 -0.000 0.000 0.314 842 W C -0.257 176.352 176.519 0.150 0.000 1.062 842 W CA -0.194 57.321 57.345 0.284 0.000 1.211 842 W CB 1.682 31.428 29.460 0.477 0.000 1.305 842 W HN 0.797 nan 8.180 nan 0.000 0.476 843 Q N 1.532 121.540 119.800 0.346 0.000 2.605 843 Q HA 0.493 4.833 4.340 -0.000 0.000 0.296 843 Q C -1.121 175.037 176.000 0.263 0.000 1.056 843 Q CA -1.025 54.913 55.803 0.225 0.000 0.778 843 Q CB 3.568 32.391 28.738 0.142 0.000 1.497 843 Q HN 0.404 nan 8.270 nan 0.000 0.443 844 H N 0.706 119.837 119.070 0.101 0.000 3.026 844 H HA 0.046 4.602 4.556 -0.000 0.000 0.352 844 H C -0.719 174.655 175.328 0.076 0.000 1.090 844 H CA -0.079 56.031 56.048 0.102 0.000 1.268 844 H CB 1.402 31.232 29.762 0.115 0.000 1.816 844 H HN 0.799 nan 8.280 nan 0.000 0.518 845 Q N 2.644 122.249 119.800 -0.326 0.000 2.378 845 Q HA -0.249 4.091 4.340 -0.000 0.000 0.296 845 Q C 0.844 176.845 176.000 0.003 0.000 1.209 845 Q CA 1.260 56.993 55.803 -0.116 0.000 0.910 845 Q CB -1.786 26.936 28.738 -0.026 0.000 1.240 845 Q HN 1.091 nan 8.270 nan 0.000 0.499 846 G N -0.045 108.762 108.800 0.012 0.000 2.143 846 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.249 846 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.249 846 G C -0.066 174.864 174.900 0.050 0.000 0.981 846 G CA 0.556 45.675 45.100 0.031 0.000 0.665 846 G HN 0.421 nan 8.290 nan 0.000 0.528 847 K N 0.827 121.270 120.400 0.073 0.000 2.244 847 K HA 0.639 4.959 4.320 -0.000 0.000 0.260 847 K C -0.040 176.595 176.600 0.057 0.000 0.951 847 K CA -0.366 55.959 56.287 0.064 0.000 0.826 847 K CB 1.053 33.596 32.500 0.072 0.000 1.108 847 K HN -0.019 nan 8.250 nan 0.000 0.433 848 T N 6.138 120.713 114.554 0.035 0.000 2.739 848 T HA 0.190 4.540 4.350 -0.000 0.000 0.298 848 T C 1.126 175.786 174.700 -0.067 0.000 0.929 848 T CA -0.420 61.700 62.100 0.034 0.000 1.014 848 T CB 0.211 69.112 68.868 0.056 0.000 0.914 848 T HN 0.546 nan 8.240 nan 0.000 0.509 849 L N 2.002 123.103 121.223 -0.203 0.000 2.102 849 L HA 0.335 4.675 4.340 -0.000 0.000 0.202 849 L C 0.144 176.487 176.870 -0.879 0.000 1.076 849 L CA 0.828 55.270 54.840 -0.663 0.000 0.761 849 L CB -0.292 41.100 42.059 -1.110 0.000 0.921 849 L HN 0.434 nan 8.230 nan 0.000 0.444 850 F N -1.296 118.608 119.950 -0.077 0.000 2.664 850 F HA 0.662 5.189 4.527 -0.000 0.000 0.329 850 F C -0.379 175.508 175.800 0.144 0.000 1.090 850 F CA -1.051 56.851 58.000 -0.164 0.000 0.978 850 F CB 1.641 40.182 39.000 -0.765 0.000 1.378 850 F HN -0.360 nan 8.300 nan 0.000 0.495 851 I N 1.294 122.094 120.570 0.383 0.000 2.576 851 I HA 0.143 4.313 4.170 -0.000 0.000 0.279 851 I C -0.858 175.526 176.117 0.447 0.000 1.114 851 I CA -0.206 61.346 61.300 0.420 0.000 1.076 851 I CB 1.653 39.811 38.000 0.264 0.000 1.212 851 I HN 0.542 nan 8.210 nan 0.000 0.472 852 S N 6.084 122.201 115.700 0.694 0.000 2.513 852 S HA 0.514 4.984 4.470 -0.000 0.000 0.276 852 S C -0.225 174.644 174.600 0.450 0.000 1.254 852 S CA -0.325 58.225 58.200 0.584 0.000 1.053 852 S CB 0.524 64.182 63.200 0.763 0.000 0.958 852 S HN 0.520 nan 8.310 nan 0.000 0.491 853 R N 3.684 124.364 120.500 0.300 0.000 2.435 853 R HA 0.397 4.737 4.340 -0.000 0.000 0.308 853 R C -0.623 175.766 176.300 0.149 0.000 0.975 853 R CA -0.630 55.602 56.100 0.220 0.000 0.867 853 R CB 1.591 31.990 30.300 0.165 0.000 1.171 853 R HN 0.612 nan 8.270 nan 0.000 0.470 854 K N 0.689 121.181 120.400 0.153 0.000 2.313 854 K HA 0.577 4.897 4.320 -0.000 0.000 0.235 854 K C -0.376 176.236 176.600 0.020 0.000 1.035 854 K CA -0.971 55.329 56.287 0.021 0.000 0.868 854 K CB 2.031 34.478 32.500 -0.089 0.000 1.232 854 K HN 0.480 nan 8.250 nan 0.000 0.459 855 T N -1.088 113.401 114.554 -0.108 0.000 3.293 855 T HA 0.414 4.764 4.350 -0.000 0.000 0.320 855 T C -1.398 173.286 174.700 -0.027 0.000 0.995 855 T CA -0.875 61.226 62.100 0.002 0.000 1.041 855 T CB 0.116 68.988 68.868 0.006 0.000 1.058 855 T HN 0.382 nan 8.240 nan 0.000 0.453 856 Y N 1.644 121.931 120.300 -0.022 0.000 2.361 856 Y HA 0.807 5.357 4.550 -0.000 0.000 0.332 856 Y C 0.658 176.513 175.900 -0.074 0.000 1.101 856 Y CA -1.827 56.279 58.100 0.009 0.000 1.137 856 Y CB 1.349 39.909 38.460 0.167 0.000 1.207 856 Y HN 0.884 nan 8.280 nan 0.000 0.463 857 R N 3.362 123.915 120.500 0.088 0.000 2.569 857 R HA 0.546 4.886 4.340 -0.000 0.000 0.293 857 R C -2.079 174.176 176.300 -0.075 0.000 1.186 857 R CA -0.188 55.901 56.100 -0.018 0.000 0.956 857 R CB 0.440 30.734 30.300 -0.010 0.000 1.196 857 R HN 0.799 nan 8.270 nan 0.000 0.444 858 I N 4.151 124.614 120.570 -0.178 0.000 2.385 858 I HA 0.360 4.530 4.170 -0.000 0.000 0.294 858 I C -0.126 175.861 176.117 -0.217 0.000 0.988 858 I CA -0.747 60.358 61.300 -0.324 0.000 1.265 858 I CB 1.376 38.992 38.000 -0.640 0.000 1.388 858 I HN 0.687 nan 8.210 nan 0.000 0.480 859 D N 3.889 124.189 120.400 -0.166 0.000 2.727 859 D HA 0.244 4.884 4.640 -0.000 0.000 0.264 859 D C 1.099 177.362 176.300 -0.062 0.000 1.101 859 D CA -0.581 53.364 54.000 -0.091 0.000 1.122 859 D CB 0.763 41.531 40.800 -0.053 0.000 1.390 859 D HN 0.520 nan 8.370 nan 0.000 0.606 860 G N -0.618 108.162 108.800 -0.034 0.000 2.507 860 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.221 860 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.221 860 G C 1.173 176.068 174.900 -0.009 0.000 1.119 860 G CA 1.590 46.680 45.100 -0.017 0.000 0.751 860 G HN 0.573 nan 8.290 nan 0.000 0.574 861 S N -0.531 115.161 115.700 -0.013 0.000 2.593 861 S HA 0.388 4.858 4.470 -0.000 0.000 0.217 861 S C 1.565 176.189 174.600 0.039 0.000 0.966 861 S CA 0.732 58.933 58.200 0.002 0.000 0.914 861 S CB 0.080 63.278 63.200 -0.005 0.000 0.776 861 S HN 1.549 nan 8.310 nan 0.000 0.523 862 G N 1.035 109.862 108.800 0.046 0.000 2.289 862 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.280 862 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.280 862 G C -0.398 174.570 174.900 0.114 0.000 1.089 862 G CA -0.137 45.048 45.100 0.141 0.000 0.939 862 G HN 0.578 nan 8.290 nan 0.000 0.499 863 Q N -0.610 119.198 119.800 0.013 0.000 2.325 863 Q HA 0.590 4.930 4.340 -0.000 0.000 0.270 863 Q C 0.005 175.990 176.000 -0.024 0.000 1.020 863 Q CA -0.676 55.147 55.803 0.033 0.000 0.785 863 Q CB 1.358 30.116 28.738 0.033 0.000 1.259 863 Q HN 0.463 nan 8.270 nan 0.000 0.452 864 M N 2.252 121.869 119.600 0.029 0.000 2.238 864 M HA 0.585 5.065 4.480 -0.000 0.000 0.350 864 M C -1.272 175.103 176.300 0.126 0.000 1.138 864 M CA -0.377 54.934 55.300 0.018 0.000 1.040 864 M CB 1.145 33.744 32.600 -0.001 0.000 1.639 864 M HN 0.700 nan 8.290 nan 0.000 0.451 865 A N 7.106 129.981 122.820 0.091 0.000 2.304 865 A HA 0.699 5.019 4.320 -0.000 0.000 0.314 865 A C -0.846 176.771 177.584 0.055 0.000 1.187 865 A CA -0.765 51.325 52.037 0.088 0.000 0.810 865 A CB 0.559 19.594 19.000 0.057 0.000 1.183 865 A HN 0.891 nan 8.150 nan 0.000 0.487 866 I N 1.090 121.674 120.570 0.024 0.000 2.437 866 I HA 0.506 4.676 4.170 -0.000 0.000 0.298 866 I C 0.006 176.012 176.117 -0.185 0.000 0.984 866 I CA -0.415 60.802 61.300 -0.140 0.000 1.214 866 I CB 2.047 39.961 38.000 -0.144 0.000 1.365 866 I HN 0.453 nan 8.210 nan 0.000 0.469 867 T N 4.856 119.250 114.554 -0.268 0.000 2.906 867 T HA 0.471 4.821 4.350 -0.000 0.000 0.302 867 T C -0.525 173.967 174.700 -0.345 0.000 1.002 867 T CA -0.343 61.601 62.100 -0.259 0.000 0.988 867 T CB 1.196 70.007 68.868 -0.095 0.000 0.972 867 T HN 0.303 nan 8.240 nan 0.000 0.447 868 V N 3.798 123.358 119.914 -0.591 0.000 2.513 868 V HA 0.630 4.750 4.120 -0.000 0.000 0.299 868 V C -0.333 175.552 176.094 -0.349 0.000 1.035 868 V CA -0.889 61.100 62.300 -0.518 0.000 0.889 868 V CB 2.042 33.360 31.823 -0.841 0.000 0.988 868 V HN 0.780 nan 8.190 nan 0.000 0.440 869 D N 2.622 123.007 120.400 -0.025 0.000 2.686 869 D HA 0.518 5.158 4.640 -0.000 0.000 0.249 869 D C -1.118 175.309 176.300 0.212 0.000 1.260 869 D CA -0.043 54.049 54.000 0.153 0.000 0.910 869 D CB 2.758 43.676 40.800 0.196 0.000 1.323 869 D HN 0.310 nan 8.370 nan 0.000 0.561 870 V N 1.713 121.786 119.914 0.265 0.000 2.994 870 V HA 0.485 4.605 4.120 -0.000 0.000 0.318 870 V C -0.043 176.177 176.094 0.209 0.000 1.085 870 V CA -0.703 61.750 62.300 0.255 0.000 0.998 870 V CB 2.613 34.606 31.823 0.284 0.000 1.063 870 V HN 0.402 nan 8.190 nan 0.000 0.447 871 E N 0.770 121.078 120.200 0.180 0.000 2.263 871 E HA 0.559 4.909 4.350 -0.000 0.000 0.268 871 E C -1.783 174.903 176.600 0.142 0.000 0.884 871 E CA -0.452 56.032 56.400 0.142 0.000 0.766 871 E CB 2.531 32.304 29.700 0.121 0.000 1.196 871 E HN 0.428 nan 8.360 nan 0.000 0.416 872 V N 2.112 122.110 119.914 0.139 0.000 2.435 872 V HA 0.461 4.581 4.120 -0.000 0.000 0.290 872 V C 0.299 176.431 176.094 0.064 0.000 1.030 872 V CA -0.873 61.508 62.300 0.136 0.000 0.881 872 V CB 1.435 33.391 31.823 0.222 0.000 0.983 872 V HN 0.827 nan 8.190 nan 0.000 0.445 873 A N 3.364 126.168 122.820 -0.026 0.000 2.540 873 A HA 0.271 4.591 4.320 -0.000 0.000 0.239 873 A C 1.626 179.246 177.584 0.060 0.000 1.061 873 A CA 0.622 52.658 52.037 -0.002 0.000 0.758 873 A CB 0.260 19.232 19.000 -0.047 0.000 0.991 873 A HN 1.323 nan 8.150 nan 0.000 0.502 874 S N 1.043 116.784 115.700 0.068 0.000 2.423 874 S HA -0.138 4.332 4.470 -0.000 0.000 0.231 874 S C 0.821 175.485 174.600 0.105 0.000 1.014 874 S CA 1.319 59.580 58.200 0.102 0.000 0.965 874 S CB -0.336 62.908 63.200 0.074 0.000 0.785 874 S HN 0.813 nan 8.310 nan 0.000 0.495 875 D N 0.501 120.941 120.400 0.067 0.000 2.370 875 D HA 0.186 4.826 4.640 -0.000 0.000 0.230 875 D C 0.094 176.427 176.300 0.055 0.000 1.143 875 D CA -0.080 53.953 54.000 0.054 0.000 0.834 875 D CB -0.258 40.562 40.800 0.032 0.000 0.944 875 D HN 0.230 nan 8.370 nan 0.000 0.504 876 T N 1.479 116.090 114.554 0.096 0.000 2.807 876 T HA 0.384 4.734 4.350 -0.000 0.000 0.279 876 T C -2.756 172.064 174.700 0.199 0.000 0.993 876 T CA -2.100 60.083 62.100 0.138 0.000 0.970 876 T CB 1.323 70.268 68.868 0.128 0.000 0.950 876 T HN -0.145 nan 8.240 nan 0.000 0.441 877 P HA -0.024 nan 4.420 nan 0.000 0.259 877 P C -0.276 177.291 177.300 0.444 0.000 1.163 877 P CA 0.053 63.224 63.100 0.117 0.000 0.760 877 P CB 0.081 31.823 31.700 0.071 0.000 0.762 878 H N 3.717 123.110 119.070 0.539 0.000 3.115 878 H HA 0.029 4.585 4.556 -0.000 0.000 0.324 878 H C -1.907 173.755 175.328 0.558 0.000 1.007 878 H CA -1.111 55.213 56.048 0.460 0.000 1.385 878 H CB -1.005 28.964 29.762 0.346 0.000 1.351 878 H HN 0.354 nan 8.280 nan 0.000 0.592 879 P HA 0.178 nan 4.420 nan 0.000 0.282 879 P C 0.254 177.482 177.300 -0.120 0.000 1.259 879 P CA -0.460 62.733 63.100 0.156 0.000 0.826 879 P CB 0.947 32.685 31.700 0.064 0.000 1.064 880 A N 2.542 125.035 122.820 -0.546 0.000 1.969 880 A HA -0.064 4.256 4.320 -0.000 0.000 0.218 880 A C 0.973 178.220 177.584 -0.561 0.000 1.169 880 A CA 1.399 53.116 52.037 -0.533 0.000 0.635 880 A CB -0.543 17.985 19.000 -0.786 0.000 0.810 880 A HN 0.713 nan 8.150 nan 0.000 0.445 881 R N -2.725 117.467 120.500 -0.514 0.000 2.733 881 R HA 0.721 5.061 4.340 -0.000 0.000 0.272 881 R C -1.917 174.202 176.300 -0.303 0.000 1.029 881 R CA -0.794 55.021 56.100 -0.475 0.000 0.888 881 R CB 0.686 30.579 30.300 -0.678 0.000 1.251 881 R HN 0.001 nan 8.270 nan 0.000 0.464 882 I N 1.499 121.932 120.570 -0.229 0.000 2.542 882 I HA 0.573 4.743 4.170 -0.000 0.000 0.278 882 I C -0.440 175.521 176.117 -0.261 0.000 1.069 882 I CA -0.270 60.964 61.300 -0.111 0.000 1.100 882 I CB 1.859 39.859 38.000 0.000 0.000 1.204 882 I HN 0.961 nan 8.210 nan 0.000 0.470 883 G N 5.679 114.283 108.800 -0.328 0.000 2.815 883 G HA2 0.805 4.765 3.960 -0.000 0.000 0.305 883 G HA3 0.805 4.765 3.960 -0.000 0.000 0.305 883 G C -1.633 173.125 174.900 -0.236 0.000 1.277 883 G CA -0.547 44.357 45.100 -0.327 0.000 0.795 883 G HN 0.236 nan 8.290 nan 0.000 0.528 884 L N 0.779 121.886 121.223 -0.193 0.000 2.393 884 L HA 0.611 4.951 4.340 -0.000 0.000 0.260 884 L C -1.079 175.693 176.870 -0.162 0.000 1.002 884 L CA -1.093 53.658 54.840 -0.148 0.000 0.818 884 L CB 2.616 44.655 42.059 -0.034 0.000 1.369 884 L HN 0.734 nan 8.230 nan 0.000 0.412 885 N N 1.161 119.788 118.700 -0.122 0.000 2.367 885 N HA 0.616 5.356 4.740 -0.000 0.000 0.278 885 N C -1.402 174.120 175.510 0.019 0.000 1.117 885 N CA -0.428 52.592 53.050 -0.050 0.000 0.867 885 N CB 2.484 40.944 38.487 -0.046 0.000 1.649 885 N HN 0.821 nan 8.380 nan 0.000 0.479 886 C N 0.497 119.821 119.300 0.040 0.000 3.318 886 C HA 0.620 5.080 4.460 -0.000 0.000 0.322 886 C C -0.812 174.033 174.990 -0.242 0.000 1.398 886 C CA -0.792 58.199 59.018 -0.044 0.000 1.339 886 C CB 1.196 28.934 27.740 -0.004 0.000 1.668 886 C HN 0.814 nan 8.230 nan 0.000 0.462 887 Q N 1.274 120.748 119.800 -0.543 0.000 2.347 887 Q HA 0.663 5.003 4.340 -0.000 0.000 0.262 887 Q C -1.016 174.732 176.000 -0.421 0.000 0.980 887 Q CA -0.420 54.862 55.803 -0.868 0.000 0.867 887 Q CB 0.851 28.651 28.738 -1.563 0.000 1.242 887 Q HN 0.754 nan 8.270 nan 0.000 0.453 888 L N 2.359 123.413 121.223 -0.281 0.000 2.453 888 L HA 0.309 4.649 4.340 -0.000 0.000 0.261 888 L C 1.037 177.810 176.870 -0.161 0.000 1.179 888 L CA -0.106 54.650 54.840 -0.141 0.000 0.813 888 L CB 0.644 42.696 42.059 -0.012 0.000 1.110 888 L HN 0.809 nan 8.230 nan 0.000 0.466 889 A N 1.024 123.772 122.820 -0.120 0.000 2.030 889 A HA -0.003 4.317 4.320 -0.000 0.000 0.215 889 A C 1.041 178.580 177.584 -0.075 0.000 1.164 889 A CA 0.234 52.200 52.037 -0.118 0.000 0.697 889 A CB -0.155 18.770 19.000 -0.124 0.000 0.827 889 A HN 0.780 nan 8.150 nan 0.000 0.457 890 Q N -0.260 119.514 119.800 -0.044 0.000 2.454 890 Q HA 0.422 4.762 4.340 -0.000 0.000 0.247 890 Q C -1.107 174.880 176.000 -0.022 0.000 1.028 890 Q CA 0.440 56.214 55.803 -0.048 0.000 0.910 890 Q CB 0.786 29.488 28.738 -0.060 0.000 1.276 890 Q HN 0.152 nan 8.270 nan 0.000 0.489 891 V N 2.156 122.026 119.914 -0.073 0.000 2.655 891 V HA 0.778 4.898 4.120 -0.000 0.000 0.301 891 V C -1.103 174.922 176.094 -0.114 0.000 1.082 891 V CA -0.169 62.124 62.300 -0.012 0.000 0.899 891 V CB 1.374 33.199 31.823 0.003 0.000 1.014 891 V HN 0.901 nan 8.190 nan 0.000 0.429 892 A N 3.092 125.808 122.820 -0.174 0.000 2.423 892 A HA 0.884 5.204 4.320 -0.000 0.000 0.304 892 A C 0.568 178.179 177.584 0.046 0.000 1.104 892 A CA -0.397 51.519 52.037 -0.201 0.000 0.757 892 A CB 1.645 20.299 19.000 -0.576 0.000 1.313 892 A HN 0.640 nan 8.150 nan 0.000 0.423 893 E N 0.730 120.945 120.200 0.025 0.000 2.000 893 E HA -0.110 4.240 4.350 -0.000 0.000 0.199 893 E C 0.518 177.198 176.600 0.133 0.000 1.011 893 E CA 1.450 57.892 56.400 0.070 0.000 0.836 893 E CB -0.141 29.584 29.700 0.040 0.000 0.778 893 E HN 0.675 nan 8.360 nan 0.000 0.462 894 R N -0.680 119.905 120.500 0.142 0.000 2.782 894 R HA 0.627 4.967 4.340 -0.000 0.000 0.258 894 R C -0.640 175.831 176.300 0.285 0.000 1.055 894 R CA -0.800 55.412 56.100 0.187 0.000 1.065 894 R CB 1.533 31.918 30.300 0.142 0.000 1.172 894 R HN -0.131 nan 8.270 nan 0.000 0.510 895 V N 1.174 121.258 119.914 0.284 0.000 2.540 895 V HA 0.305 4.425 4.120 -0.000 0.000 0.302 895 V C -0.567 175.752 176.094 0.374 0.000 1.035 895 V CA -0.879 61.613 62.300 0.320 0.000 0.873 895 V CB 1.738 33.696 31.823 0.225 0.000 0.992 895 V HN 0.687 nan 8.190 nan 0.000 0.428 896 N N 4.040 122.951 118.700 0.352 0.000 2.354 896 N HA 0.526 5.266 4.740 -0.000 0.000 0.287 896 N C -1.393 174.366 175.510 0.415 0.000 1.016 896 N CA -0.419 52.827 53.050 0.326 0.000 0.871 896 N CB 2.507 41.103 38.487 0.181 0.000 1.299 896 N HN 0.835 nan 8.380 nan 0.000 0.482 897 W N 3.465 124.801 121.300 0.060 0.000 3.075 897 W HA 0.595 5.255 4.660 -0.000 0.000 0.334 897 W C -2.080 174.403 176.519 -0.060 0.000 1.243 897 W CA -1.057 56.304 57.345 0.027 0.000 1.170 897 W CB 0.754 30.273 29.460 0.099 0.000 1.452 897 W HN 0.228 nan 8.180 nan 0.000 0.572 898 L N 4.098 125.327 121.223 0.009 0.000 2.384 898 L HA 0.879 5.219 4.340 -0.000 0.000 0.261 898 L C -0.137 176.572 176.870 -0.269 0.000 1.024 898 L CA 0.237 54.875 54.840 -0.337 0.000 0.899 898 L CB 0.639 42.564 42.059 -0.222 0.000 1.243 898 L HN 0.947 nan 8.230 nan 0.000 0.449 899 G N 3.108 111.661 108.800 -0.412 0.000 2.494 899 G HA2 0.283 4.243 3.960 -0.000 0.000 0.308 899 G HA3 0.283 4.243 3.960 -0.000 0.000 0.308 899 G C -1.598 173.347 174.900 0.075 0.000 1.263 899 G CA -1.001 44.072 45.100 -0.045 0.000 0.840 899 G HN 0.291 nan 8.290 nan 0.000 0.479 900 L N 1.036 122.420 121.223 0.268 0.000 2.367 900 L HA 0.603 4.943 4.340 -0.000 0.000 0.275 900 L C 1.024 177.977 176.870 0.137 0.000 1.129 900 L CA 0.643 55.595 54.840 0.185 0.000 0.839 900 L CB 0.648 42.763 42.059 0.093 0.000 1.133 900 L HN 1.041 nan 8.230 nan 0.000 0.453 901 G N 2.947 111.600 108.800 -0.246 0.000 2.494 901 G HA2 0.320 4.280 3.960 -0.000 0.000 0.308 901 G HA3 0.320 4.280 3.960 -0.000 0.000 0.308 901 G C -2.765 171.256 174.900 -1.464 0.000 1.263 901 G CA -0.271 44.302 45.100 -0.877 0.000 0.840 901 G HN 0.309 nan 8.290 nan 0.000 0.479 902 P HA 0.127 nan 4.420 nan 0.000 0.234 902 P C 0.441 177.519 177.300 -0.370 0.000 1.175 902 P CA 0.411 62.824 63.100 -1.145 0.000 0.801 902 P CB 0.482 31.647 31.700 -0.893 0.000 0.891 903 Q N 0.895 120.481 119.800 -0.356 0.000 2.443 903 Q HA 0.047 4.386 4.340 -0.000 0.000 0.232 903 Q C 0.544 176.434 176.000 -0.184 0.000 1.026 903 Q CA -0.031 55.647 55.803 -0.208 0.000 0.924 903 Q CB 0.628 29.264 28.738 -0.170 0.000 1.256 903 Q HN 0.258 nan 8.270 nan 0.000 0.519 904 E N 1.448 121.552 120.200 -0.160 0.000 2.442 904 E HA -0.087 4.263 4.350 -0.000 0.000 0.262 904 E C -0.928 175.613 176.600 -0.098 0.000 1.004 904 E CA 0.133 56.439 56.400 -0.157 0.000 0.928 904 E CB 0.350 30.012 29.700 -0.063 0.000 0.937 904 E HN 0.622 nan 8.360 nan 0.000 0.446 905 N N 2.405 120.993 118.700 -0.186 0.000 2.484 905 N HA 0.314 5.054 4.740 -0.000 0.000 0.269 905 N C -2.018 173.302 175.510 -0.317 0.000 1.237 905 N CA -0.612 52.373 53.050 -0.109 0.000 0.838 905 N CB 0.693 39.111 38.487 -0.115 0.000 1.593 905 N HN 0.336 nan 8.380 nan 0.000 0.485 906 Y N -0.690 119.515 120.300 -0.158 0.000 2.634 906 Y HA 0.540 5.090 4.550 -0.000 0.000 0.340 906 Y C -1.711 174.116 175.900 -0.121 0.000 1.058 906 Y CA -2.002 55.988 58.100 -0.185 0.000 1.081 906 Y CB 1.800 40.132 38.460 -0.213 0.000 1.295 906 Y HN 0.405 nan 8.280 nan 0.000 0.487 907 P HA -0.119 nan 4.420 nan 0.000 0.216 907 P C 0.127 177.404 177.300 -0.038 0.000 1.150 907 P CA 1.857 65.020 63.100 0.105 0.000 0.837 907 P CB 0.199 32.057 31.700 0.263 0.000 0.786 908 D N -1.580 118.554 120.400 -0.442 0.000 2.738 908 D HA 0.104 4.744 4.640 -0.000 0.000 0.246 908 D C 0.376 176.516 176.300 -0.267 0.000 1.270 908 D CA -0.381 53.119 54.000 -0.833 0.000 0.833 908 D CB -0.298 39.579 40.800 -1.537 0.000 1.040 908 D HN 0.061 nan 8.370 nan 0.000 0.487 909 R N 0.928 121.385 120.500 -0.072 0.000 2.606 909 R HA 0.094 4.434 4.340 -0.000 0.000 0.202 909 R C -0.662 175.672 176.300 0.056 0.000 1.371 909 R CA -0.019 56.092 56.100 0.019 0.000 1.355 909 R CB -0.068 30.237 30.300 0.008 0.000 1.477 909 R HN 0.144 nan 8.270 nan 0.000 0.775 910 L N -2.836 118.433 121.223 0.075 0.000 3.217 910 L HA 0.352 4.692 4.340 -0.000 0.000 0.288 910 L C 1.564 178.493 176.870 0.099 0.000 1.202 910 L CA 0.347 55.230 54.840 0.070 0.000 1.027 910 L CB 0.001 42.093 42.059 0.055 0.000 1.427 910 L HN 0.064 nan 8.230 nan 0.000 0.600 911 T N -1.709 112.934 114.554 0.148 0.000 2.684 911 T HA -0.167 4.183 4.350 -0.000 0.000 0.267 911 T C 1.976 176.749 174.700 0.121 0.000 1.036 911 T CA 1.765 63.982 62.100 0.195 0.000 1.148 911 T CB -0.698 68.345 68.868 0.291 0.000 0.863 911 T HN 0.386 nan 8.240 nan 0.000 0.436 912 A N 2.549 125.456 122.820 0.145 0.000 1.948 912 A HA 0.364 4.684 4.320 -0.000 0.000 0.220 912 A C 1.768 179.412 177.584 0.100 0.000 1.177 912 A CA 1.260 53.346 52.037 0.082 0.000 0.636 912 A CB -1.404 17.725 19.000 0.215 0.000 0.815 912 A HN 1.038 nan 8.150 nan 0.000 0.449 913 A N -1.124 121.707 122.820 0.017 0.000 2.440 913 A HA 0.436 4.756 4.320 -0.000 0.000 0.251 913 A C 0.214 177.776 177.584 -0.037 0.000 1.089 913 A CA -0.131 51.865 52.037 -0.070 0.000 0.779 913 A CB -0.243 18.717 19.000 -0.068 0.000 1.022 913 A HN 0.536 nan 8.150 nan 0.000 0.492 914 C N 1.138 120.396 119.300 -0.069 0.000 2.365 914 C HA 0.554 5.014 4.460 -0.000 0.000 0.349 914 C C 0.122 175.214 174.990 0.171 0.000 1.191 914 C CA -0.490 58.558 59.018 0.049 0.000 2.114 914 C CB 0.493 28.263 27.740 0.050 0.000 2.367 914 C HN 0.784 nan 8.230 nan 0.000 0.530 915 F N 3.146 122.944 119.950 -0.252 0.000 2.424 915 F HA 0.501 5.028 4.527 -0.000 0.000 0.356 915 F C 0.262 175.758 175.800 -0.507 0.000 1.110 915 F CA 0.978 58.706 58.000 -0.452 0.000 1.161 915 F CB -0.038 38.248 39.000 -1.191 0.000 1.115 915 F HN 0.646 nan 8.300 nan 0.000 0.507 916 D N 3.423 123.219 120.400 -1.008 0.000 3.010 916 D HA 0.171 4.811 4.640 -0.000 0.000 0.353 916 D C -1.601 173.778 176.300 -1.534 0.000 1.415 916 D CA -0.739 52.542 54.000 -1.199 0.000 0.864 916 D CB 1.429 41.409 40.800 -1.367 0.000 1.445 916 D HN 0.546 nan 8.370 nan 0.000 0.516 917 R N 0.777 120.468 120.500 -1.350 0.000 2.198 917 R HA 0.492 4.832 4.340 -0.000 0.000 0.339 917 R C -0.995 174.527 176.300 -1.298 0.000 1.020 917 R CA -0.373 55.078 56.100 -1.083 0.000 0.864 917 R CB 0.313 30.250 30.300 -0.605 0.000 1.105 917 R HN 0.257 nan 8.270 nan 0.000 0.463 918 W N 2.239 123.025 121.300 -0.857 0.000 2.481 918 W HA 0.429 5.089 4.660 -0.000 0.000 0.369 918 W C -0.409 175.818 176.519 -0.488 0.000 1.235 918 W CA -0.472 56.337 57.345 -0.893 0.000 1.344 918 W CB 1.167 29.556 29.460 -1.786 0.000 1.360 918 W HN 0.430 nan 8.180 nan 0.000 0.658 919 D N 1.032 121.444 120.400 0.019 0.000 2.369 919 D HA 0.349 4.989 4.640 -0.000 0.000 0.212 919 D C -1.710 174.707 176.300 0.194 0.000 1.326 919 D CA -0.220 53.868 54.000 0.147 0.000 0.933 919 D CB 0.152 40.982 40.800 0.049 0.000 1.516 919 D HN 0.332 nan 8.370 nan 0.000 0.557 920 L N 2.978 124.377 121.223 0.295 0.000 2.350 920 L HA 0.685 5.025 4.340 -0.000 0.000 0.260 920 L C -2.179 174.797 176.870 0.177 0.000 1.015 920 L CA -2.345 52.622 54.840 0.212 0.000 0.821 920 L CB 2.458 44.658 42.059 0.234 0.000 1.370 920 L HN 0.156 nan 8.230 nan 0.000 0.416 921 P HA -0.036 nan 4.420 nan 0.000 0.266 921 P C 0.510 177.876 177.300 0.109 0.000 1.193 921 P CA -0.161 63.003 63.100 0.106 0.000 0.770 921 P CB 0.579 32.323 31.700 0.074 0.000 0.836 922 L N 3.808 125.100 121.223 0.116 0.000 2.189 922 L HA -0.240 4.100 4.340 -0.000 0.000 0.214 922 L C 2.208 179.117 176.870 0.064 0.000 1.097 922 L CA 2.505 57.403 54.840 0.097 0.000 0.764 922 L CB -1.375 40.761 42.059 0.129 0.000 0.900 922 L HN 0.454 nan 8.230 nan 0.000 0.436 923 S N -0.984 114.758 115.700 0.070 0.000 2.365 923 S HA -0.237 4.233 4.470 -0.000 0.000 0.225 923 S C 1.582 176.232 174.600 0.083 0.000 1.039 923 S CA 1.482 59.729 58.200 0.078 0.000 1.033 923 S CB -0.910 62.328 63.200 0.064 0.000 0.887 923 S HN 0.578 nan 8.310 nan 0.000 0.447 924 D N 1.540 121.972 120.400 0.053 0.000 2.378 924 D HA 0.068 4.708 4.640 -0.000 0.000 0.227 924 D C 1.167 177.459 176.300 -0.014 0.000 1.012 924 D CA 0.572 54.584 54.000 0.019 0.000 0.905 924 D CB -0.129 40.688 40.800 0.029 0.000 0.895 924 D HN 0.591 nan 8.370 nan 0.000 0.532 925 M N -0.673 118.929 119.600 0.003 0.000 2.404 925 M HA 0.134 4.614 4.480 -0.000 0.000 0.271 925 M C -0.195 176.096 176.300 -0.014 0.000 1.128 925 M CA -0.328 54.930 55.300 -0.070 0.000 0.982 925 M CB -0.115 32.395 32.600 -0.149 0.000 1.445 925 M HN -0.122 nan 8.290 nan 0.000 0.495 926 Y N 1.278 121.514 120.300 -0.107 0.000 2.376 926 Y HA 0.522 5.072 4.550 -0.000 0.000 0.340 926 Y C -0.884 174.914 175.900 -0.171 0.000 0.965 926 Y CA -0.870 57.172 58.100 -0.097 0.000 1.078 926 Y CB 1.417 39.878 38.460 0.002 0.000 1.193 926 Y HN -0.049 nan 8.280 nan 0.000 0.452 927 T N 9.095 123.200 114.554 -0.748 0.000 2.753 927 T HA 0.256 4.606 4.350 -0.000 0.000 0.297 927 T C -2.521 171.366 174.700 -1.356 0.000 0.981 927 T CA -1.523 59.992 62.100 -0.975 0.000 0.956 927 T CB 0.965 69.271 68.868 -0.937 0.000 0.936 927 T HN 0.463 nan 8.240 nan 0.000 0.463 928 P HA 0.040 nan 4.420 nan 0.000 0.262 928 P C -0.609 176.497 177.300 -0.324 0.000 1.647 928 P CA -0.401 62.188 63.100 -0.852 0.000 0.865 928 P CB -0.812 30.518 31.700 -0.616 0.000 1.834 929 Y N -0.295 119.902 120.300 -0.171 0.000 2.729 929 Y HA -0.085 4.465 4.550 -0.000 0.000 0.331 929 Y C 2.218 178.146 175.900 0.047 0.000 1.208 929 Y CA -0.260 57.828 58.100 -0.020 0.000 1.521 929 Y CB -0.322 38.067 38.460 -0.119 0.000 1.233 929 Y HN -0.137 nan 8.280 nan 0.000 0.539 930 V N 3.708 123.819 119.914 0.328 0.000 2.363 930 V HA -0.320 3.800 4.120 -0.000 0.000 0.254 930 V C 0.636 176.874 176.094 0.241 0.000 1.074 930 V CA 1.697 64.158 62.300 0.268 0.000 1.069 930 V CB -0.723 31.287 31.823 0.312 0.000 0.659 930 V HN 0.613 nan 8.190 nan 0.000 0.455 931 F N 2.986 122.955 119.950 0.032 0.000 2.347 931 F HA 0.595 5.122 4.527 -0.000 0.000 0.366 931 F C -2.589 173.197 175.800 -0.024 0.000 1.107 931 F CA -3.564 54.402 58.000 -0.056 0.000 1.058 931 F CB 1.088 39.936 39.000 -0.252 0.000 1.236 931 F HN -0.056 nan 8.300 nan 0.000 0.456 932 P HA 0.437 nan 4.420 nan 0.000 0.277 932 P C -1.100 175.980 177.300 -0.365 0.000 1.240 932 P CA -0.153 62.767 63.100 -0.301 0.000 0.798 932 P CB 1.611 33.172 31.700 -0.232 0.000 0.979 933 S N -0.908 114.736 115.700 -0.093 0.000 2.694 933 S HA 0.417 4.887 4.470 -0.000 0.000 0.273 933 S C -0.791 173.827 174.600 0.030 0.000 1.180 933 S CA -0.938 57.248 58.200 -0.025 0.000 0.864 933 S CB 0.166 63.392 63.200 0.042 0.000 1.198 933 S HN 0.402 nan 8.310 nan 0.000 0.499 934 E N 1.220 121.446 120.200 0.044 0.000 2.481 934 E HA 0.406 4.756 4.350 -0.000 0.000 0.263 934 E C -0.075 176.598 176.600 0.123 0.000 0.992 934 E CA 0.814 57.261 56.400 0.077 0.000 0.938 934 E CB -0.118 29.653 29.700 0.118 0.000 0.933 934 E HN 0.818 nan 8.360 nan 0.000 0.453 935 N N 0.845 119.631 118.700 0.144 0.000 3.339 935 N HA 0.438 5.178 4.740 -0.000 0.000 0.275 935 N C 0.394 175.941 175.510 0.062 0.000 1.514 935 N CA -0.665 52.492 53.050 0.178 0.000 0.879 935 N CB 0.270 38.806 38.487 0.082 0.000 1.557 935 N HN 0.705 nan 8.380 nan 0.000 0.524 936 G N -1.260 107.528 108.800 -0.020 0.000 2.228 936 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.270 936 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.270 936 G C 0.039 174.692 174.900 -0.412 0.000 0.976 936 G CA 0.709 45.693 45.100 -0.193 0.000 0.636 936 G HN 0.704 nan 8.290 nan 0.000 0.542 937 L N 0.653 121.586 121.223 -0.484 0.000 2.517 937 L HA 0.377 4.717 4.340 -0.000 0.000 0.294 937 L C 0.910 177.246 176.870 -0.890 0.000 1.264 937 L CA 0.942 55.270 54.840 -0.853 0.000 0.839 937 L CB 0.335 41.583 42.059 -1.352 0.000 1.098 937 L HN 0.394 nan 8.230 nan 0.000 0.525 938 R N 3.060 122.979 120.500 -0.969 0.000 2.548 938 R HA 0.461 4.801 4.340 -0.000 0.000 0.280 938 R C -1.343 174.651 176.300 -0.511 0.000 1.061 938 R CA -0.733 54.909 56.100 -0.763 0.000 0.915 938 R CB 1.073 30.811 30.300 -0.937 0.000 1.210 938 R HN 0.591 nan 8.270 nan 0.000 0.442 939 C N -0.349 118.794 119.300 -0.262 0.000 2.531 939 C HA 0.693 5.153 4.460 -0.000 0.000 0.369 939 C C 1.215 176.194 174.990 -0.019 0.000 1.258 939 C CA 0.023 58.948 59.018 -0.155 0.000 1.876 939 C CB 1.354 29.019 27.740 -0.125 0.000 2.256 939 C HN 1.071 nan 8.230 nan 0.000 0.510 940 G N 2.119 110.909 108.800 -0.016 0.000 2.386 940 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.295 940 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.295 940 G C -0.162 174.783 174.900 0.075 0.000 0.979 940 G CA 0.520 45.655 45.100 0.059 0.000 1.193 940 G HN 0.803 nan 8.290 nan 0.000 0.508 941 T N -0.172 114.297 114.554 -0.143 0.000 2.824 941 T HA 0.537 4.887 4.350 -0.000 0.000 0.280 941 T C 1.460 175.866 174.700 -0.490 0.000 0.995 941 T CA -0.643 61.326 62.100 -0.217 0.000 1.009 941 T CB 1.543 70.310 68.868 -0.168 0.000 0.955 941 T HN 0.378 nan 8.240 nan 0.000 0.452 942 R N 1.176 121.583 120.500 -0.155 0.000 2.250 942 R HA 0.251 4.591 4.340 -0.000 0.000 0.194 942 R C 0.492 176.843 176.300 0.085 0.000 0.927 942 R CA 0.143 56.223 56.100 -0.034 0.000 1.052 942 R CB 0.879 31.264 30.300 0.142 0.000 1.055 942 R HN 0.615 nan 8.270 nan 0.000 0.537 943 E N 1.160 121.423 120.200 0.105 0.000 2.291 943 E HA 0.295 4.645 4.350 -0.000 0.000 0.276 943 E C -1.962 174.771 176.600 0.221 0.000 0.896 943 E CA -0.586 55.935 56.400 0.203 0.000 0.774 943 E CB 1.808 31.593 29.700 0.142 0.000 1.227 943 E HN -0.055 nan 8.360 nan 0.000 0.413 944 L N 4.071 125.469 121.223 0.292 0.000 2.408 944 L HA 0.632 4.972 4.340 -0.000 0.000 0.268 944 L C -1.907 175.168 176.870 0.342 0.000 0.986 944 L CA -0.390 54.548 54.840 0.164 0.000 0.820 944 L CB 1.944 43.833 42.059 -0.283 0.000 1.303 944 L HN 0.447 nan 8.230 nan 0.000 0.411 945 N N 4.133 123.001 118.700 0.280 0.000 2.346 945 N HA 0.383 5.123 4.740 -0.000 0.000 0.289 945 N C -2.026 173.738 175.510 0.423 0.000 1.027 945 N CA -0.268 52.994 53.050 0.354 0.000 0.864 945 N CB 2.096 40.721 38.487 0.229 0.000 1.370 945 N HN 0.607 nan 8.380 nan 0.000 0.481 946 Y N 1.287 121.786 120.300 0.331 0.000 2.307 946 Y HA 0.425 4.975 4.550 -0.000 0.000 0.323 946 Y C 0.643 176.707 175.900 0.272 0.000 1.100 946 Y CA 0.100 58.351 58.100 0.252 0.000 1.140 946 Y CB 0.610 39.215 38.460 0.241 0.000 1.159 946 Y HN 0.871 nan 8.280 nan 0.000 0.436 947 G N 6.579 115.344 108.800 -0.059 0.000 2.566 947 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.280 947 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.280 947 G C -1.584 173.328 174.900 0.019 0.000 1.225 947 G CA 0.000 45.059 45.100 -0.070 0.000 0.966 947 G HN 0.498 nan 8.290 nan 0.000 0.560 948 P HA -0.020 nan 4.420 nan 0.000 0.218 948 P C 0.765 177.909 177.300 -0.260 0.000 1.149 948 P CA 1.816 64.801 63.100 -0.193 0.000 0.817 948 P CB -0.339 31.145 31.700 -0.360 0.000 0.785 949 H N -0.268 118.773 119.070 -0.047 0.000 2.836 949 H HA 0.304 4.860 4.556 -0.000 0.000 0.368 949 H C 0.770 176.006 175.328 -0.154 0.000 1.164 949 H CA 0.410 56.338 56.048 -0.200 0.000 1.425 949 H CB -0.013 29.418 29.762 -0.550 0.000 1.414 949 H HN 0.097 nan 8.280 nan 0.000 0.614 950 Q N 1.989 121.667 119.800 -0.204 0.000 2.487 950 Q HA 0.154 4.494 4.340 -0.000 0.000 0.234 950 Q C -1.938 174.070 176.000 0.013 0.000 0.828 950 Q CA -0.433 55.393 55.803 0.037 0.000 0.907 950 Q CB 0.848 29.632 28.738 0.076 0.000 1.462 950 Q HN 0.680 nan 8.270 nan 0.000 0.442 951 W N 3.927 125.202 121.300 -0.041 0.000 2.496 951 W HA 0.616 5.275 4.660 -0.000 0.000 0.327 951 W C 0.172 176.749 176.519 0.098 0.000 1.086 951 W CA -1.107 56.188 57.345 -0.085 0.000 1.222 951 W CB 1.527 30.752 29.460 -0.392 0.000 1.304 951 W HN 0.378 nan 8.180 nan 0.000 0.547 952 R N 0.969 121.695 120.500 0.378 0.000 2.670 952 R HA 0.761 5.101 4.340 -0.000 0.000 0.289 952 R C 0.148 176.700 176.300 0.421 0.000 0.965 952 R CA -0.536 55.785 56.100 0.368 0.000 0.899 952 R CB 2.106 32.551 30.300 0.242 0.000 1.173 952 R HN 0.807 nan 8.270 nan 0.000 0.456 953 G N 0.802 109.864 108.800 0.437 0.000 2.513 953 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.182 953 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.182 953 G C -1.760 173.279 174.900 0.231 0.000 1.190 953 G CA -0.419 44.920 45.100 0.398 0.000 0.987 953 G HN 0.473 nan 8.290 nan 0.000 0.479 954 D N 0.194 120.734 120.400 0.235 0.000 2.472 954 D HA 0.587 5.227 4.640 -0.000 0.000 0.248 954 D C -0.519 175.763 176.300 -0.031 0.000 1.271 954 D CA -0.435 53.565 54.000 -0.001 0.000 0.888 954 D CB 0.087 40.926 40.800 0.066 0.000 1.337 954 D HN 0.487 nan 8.370 nan 0.000 0.526 955 F N -0.534 119.410 119.950 -0.009 0.000 2.922 955 F HA 0.730 5.257 4.527 -0.000 0.000 0.345 955 F C -0.900 174.861 175.800 -0.066 0.000 1.209 955 F CA -0.974 56.959 58.000 -0.112 0.000 1.018 955 F CB 0.613 39.526 39.000 -0.145 0.000 1.472 955 F HN -0.192 nan 8.300 nan 0.000 0.521 956 Q N 1.213 121.097 119.800 0.141 0.000 2.394 956 Q HA 0.614 4.954 4.340 -0.000 0.000 0.273 956 Q C -1.476 174.647 176.000 0.205 0.000 1.089 956 Q CA -0.513 55.309 55.803 0.031 0.000 0.812 956 Q CB 2.842 31.488 28.738 -0.155 0.000 1.353 956 Q HN 0.852 nan 8.270 nan 0.000 0.438 957 F N -1.009 118.840 119.950 -0.170 0.000 2.668 957 F HA 0.737 5.264 4.527 -0.000 0.000 0.309 957 F C -1.639 173.952 175.800 -0.349 0.000 1.117 957 F CA -1.097 56.754 58.000 -0.249 0.000 0.951 957 F CB 1.440 40.284 39.000 -0.259 0.000 1.323 957 F HN 0.549 nan 8.300 nan 0.000 0.451 958 N N 1.958 120.494 118.700 -0.273 0.000 2.240 958 N HA 0.698 5.438 4.740 -0.000 0.000 0.302 958 N C -1.977 173.465 175.510 -0.115 0.000 1.106 958 N CA -0.766 52.089 53.050 -0.325 0.000 0.778 958 N CB 2.554 40.883 38.487 -0.263 0.000 1.431 958 N HN 1.104 nan 8.380 nan 0.000 0.479 959 I N 1.045 121.532 120.570 -0.137 0.000 2.560 959 I HA 0.459 4.629 4.170 -0.000 0.000 0.283 959 I C -1.095 174.928 176.117 -0.158 0.000 1.115 959 I CA 0.041 61.239 61.300 -0.170 0.000 1.066 959 I CB 0.814 38.657 38.000 -0.261 0.000 1.221 959 I HN 0.974 nan 8.210 nan 0.000 0.450 960 S N 6.744 122.377 115.700 -0.113 0.000 3.359 960 S HA 0.617 5.087 4.470 -0.000 0.000 0.323 960 S C 0.138 174.632 174.600 -0.177 0.000 1.143 960 S CA -0.853 57.280 58.200 -0.112 0.000 0.989 960 S CB 1.814 65.004 63.200 -0.016 0.000 1.375 960 S HN 0.620 nan 8.310 nan 0.000 0.728 961 R N -0.130 120.101 120.500 -0.449 0.000 2.596 961 R HA 0.330 4.670 4.340 -0.000 0.000 0.369 961 R C -1.266 174.596 176.300 -0.732 0.000 1.042 961 R CA 0.058 55.839 56.100 -0.531 0.000 1.120 961 R CB 0.050 29.957 30.300 -0.655 0.000 1.353 961 R HN 0.597 nan 8.270 nan 0.000 0.564 962 Y N 0.026 120.271 120.300 -0.092 0.000 2.499 962 Y HA 0.331 4.881 4.550 -0.000 0.000 0.347 962 Y C 0.733 176.366 175.900 -0.445 0.000 0.987 962 Y CA -1.201 56.762 58.100 -0.229 0.000 1.044 962 Y CB 1.466 39.741 38.460 -0.308 0.000 1.245 962 Y HN -0.103 nan 8.280 nan 0.000 0.461 963 S N 0.632 115.994 115.700 -0.562 0.000 2.693 963 S HA 0.200 4.670 4.470 -0.000 0.000 0.276 963 S C 0.657 174.929 174.600 -0.546 0.000 1.192 963 S CA -0.807 56.746 58.200 -1.078 0.000 0.994 963 S CB 1.326 63.746 63.200 -1.300 0.000 1.012 963 S HN 0.738 nan 8.310 nan 0.000 0.550 964 Q N 0.354 119.839 119.800 -0.525 0.000 2.084 964 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 964 Q C 2.149 178.010 176.000 -0.232 0.000 0.978 964 Q CA 1.472 57.104 55.803 -0.285 0.000 0.844 964 Q CB -0.520 28.092 28.738 -0.211 0.000 0.898 964 Q HN 0.848 nan 8.270 nan 0.000 0.426 965 Q N 0.823 120.466 119.800 -0.262 0.000 2.112 965 Q HA -0.244 4.096 4.340 -0.000 0.000 0.206 965 Q C 2.106 178.008 176.000 -0.164 0.000 0.987 965 Q CA 1.605 57.304 55.803 -0.173 0.000 0.858 965 Q CB 0.036 28.691 28.738 -0.139 0.000 0.905 965 Q HN 0.429 nan 8.270 nan 0.000 0.420 966 Q N -0.015 119.666 119.800 -0.199 0.000 1.942 966 Q HA -0.167 4.173 4.340 -0.000 0.000 0.203 966 Q C 2.397 178.279 176.000 -0.197 0.000 0.987 966 Q CA 1.360 57.054 55.803 -0.180 0.000 0.844 966 Q CB -0.250 28.371 28.738 -0.195 0.000 0.911 966 Q HN 0.441 nan 8.270 nan 0.000 0.423 967 L N 0.527 121.627 121.223 -0.205 0.000 2.085 967 L HA -0.280 4.060 4.340 -0.000 0.000 0.218 967 L C 2.662 179.401 176.870 -0.217 0.000 1.080 967 L CA 1.955 56.667 54.840 -0.212 0.000 0.776 967 L CB -0.600 41.367 42.059 -0.154 0.000 0.891 967 L HN 0.551 nan 8.230 nan 0.000 0.437 968 M N -1.171 118.325 119.600 -0.174 0.000 2.618 968 M HA -0.058 4.422 4.480 -0.000 0.000 0.240 968 M C 1.081 177.294 176.300 -0.146 0.000 1.123 968 M CA 1.338 56.545 55.300 -0.156 0.000 1.060 968 M CB 0.094 32.617 32.600 -0.129 0.000 1.535 968 M HN 0.160 nan 8.290 nan 0.000 0.507 969 E N -0.113 120.000 120.200 -0.145 0.000 2.514 969 E HA 0.153 4.503 4.350 -0.000 0.000 0.215 969 E C -0.349 176.192 176.600 -0.098 0.000 0.946 969 E CA -0.015 56.324 56.400 -0.100 0.000 1.038 969 E CB 0.876 30.531 29.700 -0.074 0.000 1.069 969 E HN 0.338 nan 8.360 nan 0.000 0.503 970 T N 0.926 115.389 114.554 -0.151 0.000 2.845 970 T HA 0.108 4.458 4.350 -0.000 0.000 0.288 970 T C 1.127 175.723 174.700 -0.173 0.000 0.980 970 T CA -0.261 61.755 62.100 -0.140 0.000 1.071 970 T CB 1.580 70.332 68.868 -0.193 0.000 0.941 970 T HN 0.054 nan 8.240 nan 0.000 0.487 971 S N 1.457 117.141 115.700 -0.027 0.000 2.503 971 S HA 0.092 4.562 4.470 -0.000 0.000 0.215 971 S C 0.148 174.763 174.600 0.024 0.000 1.003 971 S CA 0.008 58.220 58.200 0.020 0.000 0.910 971 S CB -0.175 63.175 63.200 0.249 0.000 0.790 971 S HN 0.738 nan 8.310 nan 0.000 0.514 972 H N 0.944 120.036 119.070 0.036 0.000 2.667 972 H HA 0.504 5.060 4.556 -0.000 0.000 0.353 972 H C 0.869 176.241 175.328 0.074 0.000 1.072 972 H CA -0.748 55.396 56.048 0.159 0.000 1.214 972 H CB 1.420 31.349 29.762 0.278 0.000 1.600 972 H HN 0.162 nan 8.280 nan 0.000 0.527 973 R N 1.787 122.400 120.500 0.189 0.000 2.185 973 R HA -0.233 4.107 4.340 -0.000 0.000 0.247 973 R C 1.218 177.562 176.300 0.074 0.000 1.159 973 R CA 2.071 58.212 56.100 0.069 0.000 0.988 973 R CB -0.482 29.869 30.300 0.084 0.000 0.871 973 R HN 0.771 nan 8.270 nan 0.000 0.458 974 H N 1.014 120.076 119.070 -0.013 0.000 2.521 974 H HA 0.019 4.575 4.556 -0.000 0.000 0.286 974 H C 1.617 176.862 175.328 -0.137 0.000 1.034 974 H CA 0.948 56.950 56.048 -0.078 0.000 1.278 974 H CB -0.242 29.461 29.762 -0.099 0.000 1.386 974 H HN 0.326 nan 8.280 nan 0.000 0.567 975 L N 0.674 121.616 121.223 -0.469 0.000 2.492 975 L HA 0.148 4.488 4.340 -0.000 0.000 0.223 975 L C 0.835 177.579 176.870 -0.211 0.000 1.132 975 L CA -0.002 54.576 54.840 -0.436 0.000 0.850 975 L CB -0.030 41.809 42.059 -0.365 0.000 0.966 975 L HN 0.087 nan 8.230 nan 0.000 0.454 976 L N 0.704 121.791 121.223 -0.227 0.000 2.439 976 L HA 0.134 4.474 4.340 -0.000 0.000 0.269 976 L C 0.174 176.987 176.870 -0.097 0.000 1.179 976 L CA -0.035 54.622 54.840 -0.306 0.000 0.828 976 L CB 0.455 42.138 42.059 -0.627 0.000 1.106 976 L HN 0.207 nan 8.230 nan 0.000 0.467 977 H N 1.232 120.352 119.070 0.083 0.000 2.771 977 H HA 0.583 5.139 4.556 -0.000 0.000 0.361 977 H C -0.923 174.519 175.328 0.189 0.000 1.108 977 H CA -1.239 54.880 56.048 0.118 0.000 1.201 977 H CB 1.453 31.224 29.762 0.015 0.000 1.681 977 H HN 0.671 nan 8.280 nan 0.000 0.534 978 A N 3.673 126.596 122.820 0.171 0.000 2.524 978 A HA 0.099 4.419 4.320 -0.000 0.000 0.250 978 A C 0.443 178.040 177.584 0.021 0.000 1.078 978 A CA -0.252 51.704 52.037 -0.135 0.000 0.761 978 A CB -0.040 18.864 19.000 -0.161 0.000 1.012 978 A HN 0.820 nan 8.150 nan 0.000 0.500 979 E N 1.459 121.630 120.200 -0.047 0.000 2.385 979 E HA 0.073 4.423 4.350 -0.000 0.000 0.254 979 E C 0.645 177.249 176.600 0.007 0.000 1.228 979 E CA -0.484 55.968 56.400 0.088 0.000 0.956 979 E CB 0.596 30.434 29.700 0.229 0.000 1.116 979 E HN 0.834 nan 8.360 nan 0.000 0.507 980 E N 0.149 120.350 120.200 0.001 0.000 2.035 980 E HA -0.204 4.146 4.350 -0.000 0.000 0.204 980 E C 0.998 177.536 176.600 -0.103 0.000 1.025 980 E CA 1.690 58.053 56.400 -0.061 0.000 0.835 980 E CB -0.049 29.613 29.700 -0.063 0.000 0.764 980 E HN 0.531 nan 8.360 nan 0.000 0.457 981 G N -1.378 107.318 108.800 -0.174 0.000 3.194 981 G HA2 0.256 4.216 3.960 -0.000 0.000 0.160 981 G HA3 0.256 4.216 3.960 -0.000 0.000 0.160 981 G C -0.738 174.090 174.900 -0.119 0.000 1.267 981 G CA -0.280 44.734 45.100 -0.143 0.000 0.962 981 G HN 0.076 nan 8.290 nan 0.000 0.612 982 T N 0.835 115.338 114.554 -0.085 0.000 2.758 982 T HA 0.331 4.681 4.350 -0.000 0.000 0.285 982 T C -1.226 173.405 174.700 -0.114 0.000 0.981 982 T CA -0.033 62.037 62.100 -0.051 0.000 0.965 982 T CB 0.848 69.778 68.868 0.104 0.000 0.927 982 T HN 0.294 nan 8.240 nan 0.000 0.448 983 W N 3.494 124.690 121.300 -0.173 0.000 2.315 983 W HA 0.583 5.243 4.660 -0.000 0.000 0.316 983 W C -0.153 176.241 176.519 -0.208 0.000 1.211 983 W CA -0.726 56.520 57.345 -0.164 0.000 1.201 983 W CB 0.733 30.104 29.460 -0.149 0.000 1.184 983 W HN 0.433 nan 8.180 nan 0.000 0.544 984 L N 5.254 126.538 121.223 0.102 0.000 2.376 984 L HA 0.501 4.841 4.340 -0.000 0.000 0.275 984 L C -1.055 175.754 176.870 -0.102 0.000 0.987 984 L CA -0.373 54.400 54.840 -0.111 0.000 0.828 984 L CB 0.893 42.758 42.059 -0.323 0.000 1.249 984 L HN 0.325 nan 8.230 nan 0.000 0.409 985 N N 7.024 125.645 118.700 -0.132 0.000 2.446 985 N HA 0.466 5.206 4.740 -0.000 0.000 0.265 985 N C -1.221 174.176 175.510 -0.188 0.000 0.975 985 N CA -0.323 52.640 53.050 -0.146 0.000 0.928 985 N CB 2.221 40.636 38.487 -0.120 0.000 1.160 985 N HN 0.536 nan 8.380 nan 0.000 0.495 986 I N 2.435 122.852 120.570 -0.255 0.000 2.390 986 I HA 0.222 4.392 4.170 -0.000 0.000 0.283 986 I C -0.623 175.333 176.117 -0.269 0.000 1.016 986 I CA -0.546 60.569 61.300 -0.308 0.000 1.151 986 I CB 1.469 39.136 38.000 -0.555 0.000 1.293 986 I HN 0.193 nan 8.210 nan 0.000 0.458 987 D N 4.485 124.770 120.400 -0.193 0.000 2.163 987 D HA 0.311 4.951 4.640 -0.000 0.000 0.248 987 D C 1.072 177.110 176.300 -0.437 0.000 1.035 987 D CA -0.256 53.566 54.000 -0.295 0.000 0.872 987 D CB 2.454 43.162 40.800 -0.153 0.000 1.183 987 D HN 0.674 nan 8.370 nan 0.000 0.445 988 G N 0.462 108.711 108.800 -0.917 0.000 2.603 988 G HA2 0.135 4.095 3.960 -0.000 0.000 0.214 988 G HA3 0.135 4.095 3.960 -0.000 0.000 0.214 988 G C -0.062 173.889 174.900 -1.581 0.000 1.140 988 G CA 0.335 44.635 45.100 -1.333 0.000 0.800 988 G HN 0.353 nan 8.290 nan 0.000 0.533 989 F N -1.898 117.890 119.950 -0.271 0.000 2.703 989 F HA 0.532 5.059 4.527 -0.000 0.000 0.308 989 F C -0.873 174.846 175.800 -0.136 0.000 1.126 989 F CA -1.307 56.596 58.000 -0.162 0.000 0.959 989 F CB 1.780 40.604 39.000 -0.294 0.000 1.297 989 F HN -0.063 nan 8.300 nan 0.000 0.441 990 H N 2.458 121.557 119.070 0.048 0.000 3.087 990 H HA 0.402 4.958 4.556 -0.000 0.000 0.348 990 H C -1.204 174.152 175.328 0.047 0.000 1.092 990 H CA -0.823 55.217 56.048 -0.013 0.000 1.285 990 H CB 2.171 31.902 29.762 -0.052 0.000 1.875 990 H HN 0.872 nan 8.280 nan 0.000 0.512 991 M N 3.238 122.951 119.600 0.188 0.000 2.245 991 M HA 0.395 4.875 4.480 -0.000 0.000 0.330 991 M C 0.236 176.702 176.300 0.276 0.000 1.098 991 M CA 0.437 55.846 55.300 0.181 0.000 1.172 991 M CB 0.607 33.211 32.600 0.006 0.000 1.467 991 M HN 0.609 nan 8.290 nan 0.000 0.454 992 G N 2.568 111.474 108.800 0.177 0.000 2.667 992 G HA2 0.315 4.275 3.960 -0.000 0.000 0.250 992 G HA3 0.315 4.275 3.960 -0.000 0.000 0.250 992 G C 0.687 175.570 174.900 -0.027 0.000 1.212 992 G CA -0.393 44.726 45.100 0.032 0.000 0.874 992 G HN 1.032 nan 8.290 nan 0.000 0.561 993 I N -1.342 119.153 120.570 -0.125 0.000 2.716 993 I HA 0.355 4.525 4.170 -0.000 0.000 0.259 993 I C 1.214 177.256 176.117 -0.125 0.000 1.172 993 I CA 0.619 61.809 61.300 -0.182 0.000 1.478 993 I CB -0.797 36.992 38.000 -0.353 0.000 1.104 993 I HN 0.943 nan 8.210 nan 0.000 0.439 994 G N 0.994 109.734 108.800 -0.100 0.000 2.741 994 G HA2 0.090 4.050 3.960 -0.000 0.000 0.222 994 G HA3 0.090 4.050 3.960 -0.000 0.000 0.222 994 G C 0.426 175.300 174.900 -0.043 0.000 1.364 994 G CA -0.096 44.981 45.100 -0.038 0.000 0.866 994 G HN 1.287 nan 8.290 nan 0.000 0.555 995 G N -2.198 106.592 108.800 -0.017 0.000 2.870 995 G HA2 0.059 4.019 3.960 -0.000 0.000 0.216 995 G HA3 0.059 4.019 3.960 -0.000 0.000 0.216 995 G C 0.595 175.529 174.900 0.057 0.000 0.973 995 G CA 0.987 46.087 45.100 -0.000 0.000 0.807 995 G HN 0.919 nan 8.290 nan 0.000 0.573 996 D N 1.145 121.590 120.400 0.075 0.000 2.221 996 D HA 0.171 4.811 4.640 -0.000 0.000 0.204 996 D C 0.919 177.198 176.300 -0.036 0.000 0.982 996 D CA 2.063 56.157 54.000 0.156 0.000 0.857 996 D CB 0.206 41.102 40.800 0.159 0.000 0.934 996 D HN 0.791 nan 8.370 nan 0.000 0.475 997 D N -3.283 116.918 120.400 -0.331 0.000 2.694 997 D HA 0.225 4.865 4.640 -0.000 0.000 0.260 997 D C -1.215 174.538 176.300 -0.912 0.000 1.250 997 D CA -0.752 52.656 54.000 -0.985 0.000 0.763 997 D CB 0.758 40.725 40.800 -1.388 0.000 1.311 997 D HN -0.268 nan 8.370 nan 0.000 0.420 998 S N 0.468 115.395 115.700 -1.290 0.000 2.499 998 S HA 0.368 4.838 4.470 -0.000 0.000 0.238 998 S C -0.735 173.855 174.600 -0.017 0.000 1.205 998 S CA -0.676 57.302 58.200 -0.370 0.000 1.203 998 S CB -0.808 62.416 63.200 0.041 0.000 0.954 998 S HN 0.631 nan 8.310 nan 0.000 0.484 999 W N -0.023 121.227 121.300 -0.084 0.000 1.003 999 W HA 0.440 5.100 4.660 -0.000 0.000 0.169 999 W C -0.229 176.250 176.519 -0.067 0.000 0.697 999 W CA -0.397 56.903 57.345 -0.074 0.000 0.737 999 W CB -0.720 28.634 29.460 -0.178 0.000 0.805 999 W HN 0.249 nan 8.180 nan 0.000 0.413 1000 S N -0.703 114.916 115.700 -0.135 0.000 2.537 1000 S HA 0.636 5.106 4.470 -0.000 0.000 0.270 1000 S C -3.069 171.465 174.600 -0.109 0.000 1.142 1000 S CA -1.578 56.574 58.200 -0.081 0.000 0.870 1000 S CB 1.889 65.080 63.200 -0.015 0.000 1.112 1000 S HN -0.179 nan 8.310 nan 0.000 0.466 1001 P HA 0.141 nan 4.420 nan 0.000 0.260 1001 P C 0.322 177.637 177.300 0.025 0.000 1.185 1001 P CA 0.147 63.225 63.100 -0.037 0.000 0.763 1001 P CB 0.404 31.986 31.700 -0.198 0.000 0.776 1002 S N 1.088 116.834 115.700 0.076 0.000 2.843 1002 S HA 0.207 4.677 4.470 -0.000 0.000 0.249 1002 S C 0.036 174.701 174.600 0.108 0.000 1.047 1002 S CA -0.469 57.762 58.200 0.052 0.000 1.042 1002 S CB -0.360 62.826 63.200 -0.023 0.000 0.936 1002 S HN 0.090 nan 8.310 nan 0.000 0.531 1003 V N 3.786 123.825 119.914 0.207 0.000 2.406 1003 V HA 0.475 4.595 4.120 -0.000 0.000 0.272 1003 V C 0.667 176.916 176.094 0.259 0.000 1.043 1003 V CA -0.478 61.952 62.300 0.217 0.000 0.915 1003 V CB 0.873 32.820 31.823 0.206 0.000 0.988 1003 V HN 0.681 nan 8.190 nan 0.000 0.466 1004 S N 4.276 120.138 115.700 0.270 0.000 2.548 1004 S HA 0.464 4.934 4.470 -0.000 0.000 0.277 1004 S C 1.466 176.227 174.600 0.268 0.000 1.315 1004 S CA -0.057 58.304 58.200 0.269 0.000 1.050 1004 S CB 1.544 64.872 63.200 0.213 0.000 0.918 1004 S HN 1.124 nan 8.310 nan 0.000 0.497 1005 A N 2.929 125.864 122.820 0.192 0.000 1.923 1005 A HA -0.306 4.014 4.320 -0.000 0.000 0.222 1005 A C 1.848 179.488 177.584 0.094 0.000 1.258 1005 A CA 2.448 54.581 52.037 0.159 0.000 0.670 1005 A CB -1.512 17.552 19.000 0.106 0.000 0.834 1005 A HN 1.006 nan 8.150 nan 0.000 0.470 1006 E N -1.369 118.832 120.200 0.001 0.000 2.455 1006 E HA -0.097 4.253 4.350 -0.000 0.000 0.202 1006 E C 0.723 177.100 176.600 -0.372 0.000 1.045 1006 E CA 1.146 57.411 56.400 -0.224 0.000 0.872 1006 E CB -0.355 29.081 29.700 -0.440 0.000 0.792 1006 E HN 0.756 nan 8.360 nan 0.000 0.542 1007 F N 0.432 120.440 119.950 0.097 0.000 2.688 1007 F HA 0.238 4.765 4.527 -0.000 0.000 0.310 1007 F C 0.510 176.367 175.800 0.094 0.000 1.098 1007 F CA -0.438 57.620 58.000 0.096 0.000 1.228 1007 F CB 0.407 39.462 39.000 0.091 0.000 1.042 1007 F HN -0.165 nan 8.300 nan 0.000 0.557 1008 Q N 1.138 121.085 119.800 0.244 0.000 2.259 1008 Q HA 0.378 4.718 4.340 -0.000 0.000 0.246 1008 Q C -0.104 175.964 176.000 0.113 0.000 0.920 1008 Q CA -0.426 55.510 55.803 0.223 0.000 0.895 1008 Q CB 1.712 30.682 28.738 0.387 0.000 1.220 1008 Q HN 0.207 nan 8.270 nan 0.000 0.439 1009 L N 2.604 123.870 121.223 0.071 0.000 2.399 1009 L HA 0.081 4.421 4.340 -0.000 0.000 0.257 1009 L C 0.563 177.369 176.870 -0.106 0.000 1.236 1009 L CA 0.038 54.860 54.840 -0.029 0.000 1.144 1009 L CB -0.249 41.711 42.059 -0.165 0.000 1.379 1009 L HN 0.699 nan 8.230 nan 0.000 0.414 1010 S N -1.171 114.436 115.700 -0.155 0.000 2.593 1010 S HA 0.155 4.625 4.470 -0.000 0.000 0.236 1010 S C 1.567 176.078 174.600 -0.147 0.000 0.991 1010 S CA 0.156 58.096 58.200 -0.433 0.000 0.963 1010 S CB 0.812 63.649 63.200 -0.605 0.000 0.865 1010 S HN 0.496 nan 8.310 nan 0.000 0.488 1011 A N 1.554 124.332 122.820 -0.069 0.000 2.125 1011 A HA 0.422 4.742 4.320 -0.000 0.000 0.219 1011 A C 2.154 179.542 177.584 -0.326 0.000 1.156 1011 A CA 1.257 53.080 52.037 -0.357 0.000 0.671 1011 A CB -1.332 17.170 19.000 -0.830 0.000 0.794 1011 A HN 1.541 nan 8.150 nan 0.000 0.459 1012 G N -1.498 107.222 108.800 -0.133 0.000 2.396 1012 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.242 1012 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.242 1012 G C 0.480 175.345 174.900 -0.058 0.000 1.069 1012 G CA 0.587 45.666 45.100 -0.035 0.000 0.633 1012 G HN 0.676 nan 8.290 nan 0.000 0.517 1013 R N -0.283 120.041 120.500 -0.294 0.000 2.483 1013 R HA 0.619 4.959 4.340 -0.000 0.000 0.303 1013 R C -1.346 174.667 176.300 -0.479 0.000 0.987 1013 R CA -0.558 55.416 56.100 -0.211 0.000 0.881 1013 R CB 1.199 31.428 30.300 -0.117 0.000 1.177 1013 R HN 0.243 nan 8.270 nan 0.000 0.451 1014 Y N 0.314 120.618 120.300 0.007 0.000 2.587 1014 Y HA 0.464 5.014 4.550 -0.000 0.000 0.337 1014 Y C -0.163 175.936 175.900 0.332 0.000 1.065 1014 Y CA -0.862 57.252 58.100 0.022 0.000 1.126 1014 Y CB 1.995 40.284 38.460 -0.284 0.000 1.279 1014 Y HN 0.547 nan 8.280 nan 0.000 0.489 1015 H N 1.238 120.664 119.070 0.593 0.000 3.128 1015 H HA 0.476 5.032 4.556 -0.000 0.000 0.336 1015 H C -1.995 173.688 175.328 0.591 0.000 1.026 1015 H CA -0.805 55.520 56.048 0.461 0.000 1.376 1015 H CB 0.819 30.726 29.762 0.242 0.000 1.882 1015 H HN 0.548 nan 8.280 nan 0.000 0.479 1016 Y N 1.711 121.882 120.300 -0.215 0.000 2.609 1016 Y HA 0.666 5.216 4.550 -0.000 0.000 0.342 1016 Y C -1.546 174.180 175.900 -0.290 0.000 1.058 1016 Y CA -1.211 56.790 58.100 -0.166 0.000 1.055 1016 Y CB 1.547 39.941 38.460 -0.109 0.000 1.292 1016 Y HN 0.641 nan 8.280 nan 0.000 0.476 1017 Q N 2.330 122.133 119.800 0.005 0.000 2.347 1017 Q HA 0.658 4.998 4.340 -0.000 0.000 0.271 1017 Q C -1.747 174.313 176.000 0.100 0.000 1.064 1017 Q CA -0.798 54.986 55.803 -0.032 0.000 0.800 1017 Q CB 3.328 32.102 28.738 0.059 0.000 1.304 1017 Q HN 0.748 nan 8.270 nan 0.000 0.438 1018 L N 2.209 123.465 121.223 0.055 0.000 2.381 1018 L HA 0.701 5.041 4.340 -0.000 0.000 0.268 1018 L C -1.368 175.590 176.870 0.148 0.000 0.997 1018 L CA -1.078 53.835 54.840 0.122 0.000 0.818 1018 L CB 2.169 44.278 42.059 0.083 0.000 1.310 1018 L HN 0.449 nan 8.230 nan 0.000 0.416 1019 V N 3.332 123.363 119.914 0.194 0.000 2.376 1019 V HA 0.296 4.416 4.120 -0.000 0.000 0.287 1019 V C -0.922 175.325 176.094 0.256 0.000 1.015 1019 V CA -0.519 61.903 62.300 0.203 0.000 0.834 1019 V CB 1.859 33.783 31.823 0.169 0.000 1.001 1019 V HN 0.609 nan 8.190 nan 0.000 0.428 1020 W N 7.272 128.602 121.300 0.050 0.000 2.361 1020 W HA 0.695 5.355 4.660 -0.000 0.000 0.309 1020 W C -0.096 176.383 176.519 -0.067 0.000 1.122 1020 W CA -1.095 56.203 57.345 -0.079 0.000 1.208 1020 W CB 1.299 30.728 29.460 -0.052 0.000 1.246 1020 W HN 0.817 nan 8.180 nan 0.000 0.490 1021 C N 4.857 124.417 119.300 0.434 0.000 3.332 1021 C HA 0.807 5.267 4.460 -0.000 0.000 0.329 1021 C C -0.710 174.316 174.990 0.059 0.000 1.434 1021 C CA -0.562 58.564 59.018 0.180 0.000 1.314 1021 C CB 1.543 29.352 27.740 0.115 0.000 1.664 1021 C HN 0.638 nan 8.230 nan 0.000 0.457 1022 Q N 0.541 120.310 119.800 -0.050 0.000 3.017 1022 Q HA 0.892 5.232 4.340 -0.000 0.000 0.299 1022 Q C -0.944 174.998 176.000 -0.097 0.000 1.046 1022 Q CA -0.500 55.202 55.803 -0.169 0.000 0.821 1022 Q CB 1.610 30.186 28.738 -0.270 0.000 1.481 1022 Q HN 0.827 nan 8.270 nan 0.000 0.494 1023 K N 0.000 120.329 120.400 -0.119 0.000 2.780 1023 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1023 K CA 0.000 56.245 56.287 -0.070 0.000 0.838 1023 K CB 0.000 32.472 32.500 -0.047 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543