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 1jyz_1_J 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 SEMDFXIELG DATA SEQUENCE NKRWQFNRQS GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID DATA SEQUENCE PNAWVERWKA AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS DATA SEQUENCE RKTYRIDGSG QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP DATA SEQUENCE QENYPDRLTA AXFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR DATA SEQUENCE GDFQFNISRY SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS DATA SEQUENCE VSAEFQLSAG RYHYQLVWXQ 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 0.000 176.147 176.117 0.049 0.000 1.063 3 I CA 0.000 61.327 61.300 0.045 0.000 1.566 3 I CB 0.000 38.019 38.000 0.031 0.000 1.214 4 T N -1.831 112.760 114.554 0.061 0.000 3.113 4 T HA 0.151 4.501 4.350 -0.000 0.000 0.256 4 T C 0.808 175.558 174.700 0.083 0.000 1.131 4 T CA 1.213 63.339 62.100 0.044 0.000 1.074 4 T CB -0.564 68.328 68.868 0.040 0.000 0.944 4 T HN 0.343 nan 8.240 nan 0.000 0.516 5 D N 2.291 122.793 120.400 0.169 0.000 2.340 5 D HA 0.103 4.743 4.640 -0.000 0.000 0.220 5 D C 0.829 177.328 176.300 0.333 0.000 1.039 5 D CA 0.077 54.284 54.000 0.345 0.000 0.866 5 D CB 0.019 41.063 40.800 0.406 0.000 0.913 5 D HN 0.570 nan 8.370 nan 0.000 0.523 6 S N 0.127 115.915 115.700 0.147 0.000 2.548 6 S HA 0.086 4.556 4.470 -0.000 0.000 0.277 6 S C 1.344 175.992 174.600 0.081 0.000 1.315 6 S CA -0.688 57.558 58.200 0.076 0.000 1.050 6 S CB 1.189 64.406 63.200 0.028 0.000 0.918 6 S HN -0.122 nan 8.310 nan 0.000 0.497 7 L N 4.060 125.309 121.223 0.042 0.000 1.997 7 L HA -0.142 4.198 4.340 -0.000 0.000 0.216 7 L C 3.033 179.919 176.870 0.027 0.000 1.074 7 L CA 2.631 57.501 54.840 0.050 0.000 0.763 7 L CB -1.800 40.246 42.059 -0.021 0.000 0.890 7 L HN 1.000 nan 8.230 nan 0.000 0.434 8 A N -1.441 121.383 122.820 0.008 0.000 1.971 8 A HA -0.254 4.066 4.320 -0.000 0.000 0.222 8 A C 2.527 180.109 177.584 -0.002 0.000 1.182 8 A CA 2.507 54.547 52.037 0.005 0.000 0.649 8 A CB -1.099 17.900 19.000 -0.001 0.000 0.818 8 A HN 0.283 nan 8.150 nan 0.000 0.458 9 V N -1.015 118.891 119.914 -0.014 0.000 2.331 9 V HA -0.132 3.988 4.120 -0.000 0.000 0.242 9 V C 2.526 178.559 176.094 -0.101 0.000 1.034 9 V CA 1.665 63.937 62.300 -0.047 0.000 1.027 9 V CB -0.182 31.617 31.823 -0.039 0.000 0.667 9 V HN 0.352 nan 8.190 nan 0.000 0.457 10 V N 0.842 120.670 119.914 -0.142 0.000 2.231 10 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 10 V C 2.268 178.257 176.094 -0.174 0.000 1.054 10 V CA 2.408 64.518 62.300 -0.317 0.000 1.015 10 V CB -0.773 30.811 31.823 -0.399 0.000 0.638 10 V HN 0.498 nan 8.190 nan 0.000 0.444 11 L N 0.266 121.479 121.223 -0.017 0.000 2.633 11 L HA -0.155 4.185 4.340 -0.000 0.000 0.235 11 L C 2.451 179.400 176.870 0.133 0.000 1.163 11 L CA 0.921 55.884 54.840 0.206 0.000 0.859 11 L CB -0.840 41.373 42.059 0.257 0.000 0.973 11 L HN 0.424 nan 8.230 nan 0.000 0.451 12 Q N 2.217 122.020 119.800 0.006 0.000 2.030 12 Q HA -0.219 4.121 4.340 -0.000 0.000 0.204 12 Q C 2.241 178.189 176.000 -0.085 0.000 0.986 12 Q CA 2.099 57.885 55.803 -0.028 0.000 0.843 12 Q CB -0.110 28.597 28.738 -0.051 0.000 0.904 12 Q HN 0.567 nan 8.270 nan 0.000 0.420 13 R N -0.266 120.160 120.500 -0.124 0.000 2.120 13 R HA 0.058 4.398 4.340 -0.000 0.000 0.234 13 R C 0.323 176.431 176.300 -0.320 0.000 1.123 13 R CA 0.906 56.896 56.100 -0.183 0.000 0.975 13 R CB -0.454 29.744 30.300 -0.170 0.000 0.866 13 R HN 0.106 nan 8.270 nan 0.000 0.446 14 R N 1.000 121.209 120.500 -0.485 0.000 3.209 14 R HA -0.142 4.198 4.340 -0.000 0.000 0.252 14 R C -0.556 175.218 176.300 -0.876 0.000 0.958 14 R CA 0.516 55.841 56.100 -1.292 0.000 0.651 14 R CB -1.476 28.209 30.300 -1.024 0.000 1.142 14 R HN 0.490 nan 8.270 nan 0.000 0.441 15 D N -0.185 119.925 120.400 -0.483 0.000 2.218 15 D HA -0.191 4.449 4.640 -0.000 0.000 0.204 15 D C 1.608 177.855 176.300 -0.089 0.000 0.976 15 D CA 1.844 55.641 54.000 -0.339 0.000 0.853 15 D CB -0.120 40.270 40.800 -0.684 0.000 0.939 15 D HN 0.735 nan 8.370 nan 0.000 0.481 16 W N 1.736 123.061 121.300 0.042 0.000 3.096 16 W HA 0.115 4.775 4.660 0.000 0.000 0.241 16 W C 0.490 177.122 176.519 0.189 0.000 1.316 16 W CA -0.111 57.369 57.345 0.224 0.000 1.520 16 W CB -0.198 29.422 29.460 0.266 0.000 1.128 16 W HN -0.176 nan 8.180 nan 0.000 0.707 17 E N 0.941 120.972 120.200 -0.281 0.000 2.995 17 E HA 0.058 4.408 4.350 -0.000 0.000 0.203 17 E C -0.828 175.663 176.600 -0.182 0.000 0.980 17 E CA -0.228 56.081 56.400 -0.152 0.000 1.172 17 E CB -0.172 29.463 29.700 -0.109 0.000 1.088 17 E HN 0.108 nan 8.360 nan 0.000 0.463 18 N N 1.212 119.826 118.700 -0.144 0.000 2.594 18 N HA 0.135 4.875 4.740 -0.000 0.000 0.280 18 N C -2.252 173.144 175.510 -0.191 0.000 1.156 18 N CA -1.869 51.064 53.050 -0.196 0.000 0.831 18 N CB 1.460 39.836 38.487 -0.184 0.000 1.379 18 N HN -0.233 nan 8.380 nan 0.000 0.536 19 P HA -0.043 nan 4.420 nan 0.000 0.220 19 P C 1.174 178.252 177.300 -0.370 0.000 1.144 19 P CA 1.044 63.831 63.100 -0.522 0.000 0.800 19 P CB 0.135 31.101 31.700 -1.223 0.000 0.772 20 G N -0.585 108.036 108.800 -0.298 0.000 2.484 20 G HA2 0.002 3.962 3.960 -0.000 0.000 0.218 20 G HA3 0.002 3.962 3.960 -0.000 0.000 0.218 20 G C 0.349 175.181 174.900 -0.113 0.000 1.130 20 G CA 0.211 45.188 45.100 -0.204 0.000 0.784 20 G HN 0.238 nan 8.290 nan 0.000 0.543 21 V N 1.130 120.999 119.914 -0.075 0.000 2.378 21 V HA 0.420 4.540 4.120 -0.000 0.000 0.288 21 V C 0.863 177.023 176.094 0.110 0.000 1.016 21 V CA 0.187 62.500 62.300 0.022 0.000 0.840 21 V CB 1.354 33.192 31.823 0.026 0.000 0.994 21 V HN 0.294 nan 8.190 nan 0.000 0.431 22 T N 0.862 115.465 114.554 0.083 0.000 2.975 22 T HA 0.351 4.701 4.350 -0.000 0.000 0.257 22 T C 0.220 174.926 174.700 0.011 0.000 1.003 22 T CA 0.297 62.431 62.100 0.056 0.000 0.932 22 T CB 0.388 69.253 68.868 -0.004 0.000 1.087 22 T HN 0.725 nan 8.240 nan 0.000 0.512 23 Q N 0.129 119.985 119.800 0.094 0.000 2.756 23 Q HA 0.708 5.048 4.340 -0.000 0.000 0.295 23 Q C -2.474 173.650 176.000 0.207 0.000 0.903 23 Q CA -1.110 54.737 55.803 0.073 0.000 0.768 23 Q CB 0.788 29.507 28.738 -0.031 0.000 1.472 23 Q HN 0.076 nan 8.270 nan 0.000 0.416 24 L N 2.530 123.906 121.223 0.255 0.000 2.528 24 L HA 0.534 4.874 4.340 -0.000 0.000 0.267 24 L C -0.830 176.210 176.870 0.285 0.000 0.961 24 L CA -0.010 55.015 54.840 0.308 0.000 0.866 24 L CB 1.420 43.785 42.059 0.510 0.000 1.248 24 L HN 0.883 nan 8.230 nan 0.000 0.404 25 N N 1.164 119.981 118.700 0.195 0.000 2.753 25 N HA -0.237 4.503 4.740 -0.000 0.000 0.251 25 N C 0.527 176.110 175.510 0.123 0.000 1.097 25 N CA 0.846 54.001 53.050 0.176 0.000 0.786 25 N CB -0.671 37.918 38.487 0.169 0.000 1.137 25 N HN 0.674 nan 8.380 nan 0.000 0.566 26 R N 1.160 121.607 120.500 -0.089 0.000 2.490 26 R HA 0.379 4.719 4.340 -0.000 0.000 0.280 26 R C 0.725 176.844 176.300 -0.302 0.000 1.077 26 R CA -0.364 55.391 56.100 -0.576 0.000 1.065 26 R CB 0.571 30.546 30.300 -0.543 0.000 1.003 26 R HN 0.114 nan 8.270 nan 0.000 0.470 27 L N 2.514 123.548 121.223 -0.315 0.000 2.470 27 L HA 0.318 4.658 4.340 -0.000 0.000 0.243 27 L C 0.655 177.479 176.870 -0.077 0.000 1.227 27 L CA -0.601 54.169 54.840 -0.115 0.000 0.824 27 L CB 0.390 42.422 42.059 -0.046 0.000 1.175 27 L HN 0.742 nan 8.230 nan 0.000 0.503 28 A N 0.362 123.187 122.820 0.008 0.000 2.322 28 A HA 0.608 4.928 4.320 -0.000 0.000 0.269 28 A C 0.139 177.788 177.584 0.109 0.000 1.094 28 A CA -0.222 51.838 52.037 0.038 0.000 0.807 28 A CB 0.523 19.562 19.000 0.066 0.000 1.047 28 A HN 0.753 nan 8.150 nan 0.000 0.487 29 A N 1.186 124.020 122.820 0.023 0.000 2.406 29 A HA 0.653 4.973 4.320 -0.000 0.000 0.243 29 A C 0.154 177.739 177.584 0.002 0.000 1.082 29 A CA 0.737 52.729 52.037 -0.076 0.000 0.786 29 A CB -0.175 18.759 19.000 -0.111 0.000 1.029 29 A HN 2.072 nan 8.150 nan 0.000 0.495 30 H N -2.577 116.425 119.070 -0.114 0.000 2.883 30 H HA 0.541 5.097 4.556 -0.000 0.000 0.266 30 H C -3.423 171.699 175.328 -0.344 0.000 1.446 30 H CA -1.443 54.503 56.048 -0.170 0.000 1.179 30 H CB -0.051 29.640 29.762 -0.119 0.000 1.806 30 H HN 0.425 nan 8.280 nan 0.000 0.467 31 P HA 0.219 nan 4.420 nan 0.000 0.274 31 P C -2.610 174.390 177.300 -0.500 0.000 1.256 31 P CA -1.566 61.310 63.100 -0.373 0.000 0.795 31 P CB -0.414 31.041 31.700 -0.408 0.000 1.038 32 P HA 0.105 nan 4.420 nan 0.000 0.262 32 P C -0.787 176.494 177.300 -0.031 0.000 1.199 32 P CA 0.877 63.868 63.100 -0.181 0.000 0.763 32 P CB -0.203 31.484 31.700 -0.022 0.000 0.790 33 F N 1.421 121.492 119.950 0.202 0.000 2.507 33 F HA 0.598 5.125 4.527 -0.000 0.000 0.327 33 F C 1.202 176.971 175.800 -0.053 0.000 1.068 33 F CA -0.946 57.117 58.000 0.104 0.000 0.965 33 F CB 1.921 40.942 39.000 0.035 0.000 1.192 33 F HN 0.236 nan 8.300 nan 0.000 0.476 34 A N 0.247 123.076 122.820 0.015 0.000 2.263 34 A HA 0.268 4.588 4.320 -0.000 0.000 0.200 34 A C 0.821 178.173 177.584 -0.388 0.000 1.428 34 A CA 0.539 52.313 52.037 -0.439 0.000 1.050 34 A CB -0.069 18.081 19.000 -1.416 0.000 1.226 34 A HN 0.778 nan 8.150 nan 0.000 0.501 35 S N -0.321 115.274 115.700 -0.174 0.000 3.749 35 S HA -0.134 4.336 4.470 -0.000 0.000 0.348 35 S C -0.032 174.538 174.600 -0.049 0.000 1.045 35 S CA 0.382 58.512 58.200 -0.117 0.000 1.051 35 S CB -1.754 61.342 63.200 -0.173 0.000 0.898 35 S HN 0.504 nan 8.310 nan 0.000 0.472 36 W N 0.625 121.929 121.300 0.007 0.000 2.187 36 W HA 0.131 4.791 4.660 0.000 0.000 0.348 36 W C 1.251 177.769 176.519 -0.003 0.000 1.282 36 W CA -0.193 57.160 57.345 0.013 0.000 1.271 36 W CB 0.126 29.593 29.460 0.011 0.000 1.170 36 W HN 0.260 nan 8.180 nan 0.000 0.583 37 R N 1.436 122.092 120.500 0.260 0.000 2.509 37 R HA 0.075 4.415 4.340 -0.000 0.000 0.300 37 R C -0.062 176.320 176.300 0.138 0.000 0.985 37 R CA -0.136 56.055 56.100 0.151 0.000 1.092 37 R CB -0.434 29.927 30.300 0.102 0.000 1.237 37 R HN 0.358 nan 8.270 nan 0.000 0.546 38 N N -0.255 118.549 118.700 0.173 0.000 2.336 38 N HA 0.004 4.744 4.740 -0.000 0.000 0.290 38 N C 0.510 176.019 175.510 -0.000 0.000 1.058 38 N CA 0.231 53.330 53.050 0.081 0.000 0.865 38 N CB 2.023 40.552 38.487 0.071 0.000 1.581 38 N HN -0.087 nan 8.380 nan 0.000 0.480 39 S N 3.014 118.686 115.700 -0.047 0.000 2.365 39 S HA -0.186 4.284 4.470 -0.000 0.000 0.221 39 S C 1.256 175.707 174.600 -0.248 0.000 1.037 39 S CA 1.338 59.461 58.200 -0.129 0.000 1.060 39 S CB -0.391 62.762 63.200 -0.078 0.000 0.974 39 S HN 0.645 nan 8.310 nan 0.000 0.427 40 E N 1.329 121.411 120.200 -0.196 0.000 2.108 40 E HA -0.192 4.158 4.350 -0.000 0.000 0.203 40 E C 2.164 178.590 176.600 -0.289 0.000 1.022 40 E CA 1.770 58.024 56.400 -0.243 0.000 0.823 40 E CB -0.640 28.970 29.700 -0.151 0.000 0.744 40 E HN 0.778 nan 8.360 nan 0.000 0.456 41 E N 0.167 120.227 120.200 -0.233 0.000 2.023 41 E HA -0.186 4.164 4.350 -0.000 0.000 0.196 41 E C 2.086 178.240 176.600 -0.744 0.000 1.003 41 E CA 1.155 57.416 56.400 -0.233 0.000 0.809 41 E CB -0.206 29.551 29.700 0.095 0.000 0.755 41 E HN 0.249 nan 8.360 nan 0.000 0.449 42 A N 1.621 123.581 122.820 -1.433 0.000 1.917 42 A HA -0.278 4.042 4.320 -0.000 0.000 0.219 42 A C 2.125 179.040 177.584 -1.115 0.000 1.182 42 A CA 2.017 52.649 52.037 -2.341 0.000 0.633 42 A CB -0.642 17.510 19.000 -1.413 0.000 0.819 42 A HN 0.149 nan 8.150 nan 0.000 0.448 43 R N -0.194 119.887 120.500 -0.698 0.000 2.091 43 R HA -0.132 4.208 4.340 -0.000 0.000 0.238 43 R C 1.553 177.600 176.300 -0.422 0.000 1.136 43 R CA 2.089 57.863 56.100 -0.544 0.000 0.959 43 R CB -0.483 29.441 30.300 -0.627 0.000 0.856 43 R HN 0.587 nan 8.270 nan 0.000 0.437 44 T N -2.202 112.137 114.554 -0.358 0.000 3.244 44 T HA 0.106 4.456 4.350 -0.000 0.000 0.254 44 T C -0.004 174.629 174.700 -0.112 0.000 1.024 44 T CA 0.153 62.130 62.100 -0.206 0.000 0.920 44 T CB 0.140 68.912 68.868 -0.160 0.000 1.042 44 T HN 0.308 nan 8.240 nan 0.000 0.572 45 D N 1.660 121.962 120.400 -0.164 0.000 2.686 45 D HA -0.164 4.476 4.640 -0.000 0.000 0.235 45 D C 0.465 176.901 176.300 0.227 0.000 1.160 45 D CA 0.418 54.461 54.000 0.071 0.000 0.645 45 D CB -0.451 40.416 40.800 0.112 0.000 1.039 45 D HN 0.437 nan 8.370 nan 0.000 0.423 46 R N -0.241 120.410 120.500 0.252 0.000 2.811 46 R HA 0.565 4.905 4.340 -0.000 0.000 0.237 46 R C -2.001 174.561 176.300 0.437 0.000 1.231 46 R CA -0.840 55.436 56.100 0.294 0.000 1.070 46 R CB -0.750 29.688 30.300 0.229 0.000 1.126 46 R HN 0.174 nan 8.270 nan 0.000 0.540 47 P HA 0.198 nan 4.420 nan 0.000 0.304 47 P C -1.006 176.340 177.300 0.077 0.000 1.365 47 P CA -0.489 62.709 63.100 0.164 0.000 0.935 47 P CB 1.805 33.570 31.700 0.109 0.000 1.091 48 S N 1.952 117.550 115.700 -0.169 0.000 2.554 48 S HA 0.139 4.609 4.470 -0.000 0.000 0.278 48 S C 1.092 175.656 174.600 -0.061 0.000 1.242 48 S CA -0.433 57.618 58.200 -0.248 0.000 1.051 48 S CB 0.596 63.391 63.200 -0.676 0.000 0.986 48 S HN 0.335 nan 8.310 nan 0.000 0.502 49 Q N 2.730 122.548 119.800 0.030 0.000 2.425 49 Q HA 0.012 4.352 4.340 -0.000 0.000 0.204 49 Q C 0.792 176.941 176.000 0.248 0.000 0.933 49 Q CA 0.312 56.194 55.803 0.132 0.000 0.939 49 Q CB -0.324 28.505 28.738 0.152 0.000 1.044 49 Q HN 0.861 nan 8.270 nan 0.000 0.513 50 Q N 0.434 120.300 119.800 0.111 0.000 2.444 50 Q HA 0.165 4.505 4.340 -0.000 0.000 0.206 50 Q C -0.017 176.039 176.000 0.094 0.000 0.948 50 Q CA 0.039 55.891 55.803 0.081 0.000 0.946 50 Q CB -0.034 28.645 28.738 -0.099 0.000 1.027 50 Q HN 0.163 nan 8.270 nan 0.000 0.513 51 L N 1.241 122.530 121.223 0.110 0.000 2.325 51 L HA 0.472 4.812 4.340 -0.000 0.000 0.281 51 L C -1.056 175.900 176.870 0.144 0.000 1.004 51 L CA -0.464 54.430 54.840 0.091 0.000 0.823 51 L CB 1.443 43.480 42.059 -0.036 0.000 1.236 51 L HN -0.082 nan 8.230 nan 0.000 0.415 52 R N 2.642 123.245 120.500 0.172 0.000 2.575 52 R HA 0.443 4.783 4.340 -0.000 0.000 0.293 52 R C -1.014 175.321 176.300 0.058 0.000 0.983 52 R CA -0.482 55.686 56.100 0.113 0.000 0.887 52 R CB 2.220 32.592 30.300 0.120 0.000 1.184 52 R HN 0.709 nan 8.270 nan 0.000 0.445 53 S N 3.234 118.960 115.700 0.042 0.000 2.562 53 S HA 0.303 4.773 4.470 -0.000 0.000 0.275 53 S C 0.870 175.495 174.600 0.042 0.000 1.281 53 S CA -0.511 57.713 58.200 0.040 0.000 1.045 53 S CB 0.583 63.814 63.200 0.053 0.000 0.962 53 S HN 0.584 nan 8.310 nan 0.000 0.503 54 L N 3.412 124.678 121.223 0.071 0.000 2.857 54 L HA 0.288 4.628 4.340 -0.000 0.000 0.249 54 L C 0.031 177.121 176.870 0.366 0.000 1.172 54 L CA -0.321 54.600 54.840 0.135 0.000 0.980 54 L CB -0.464 41.656 42.059 0.102 0.000 1.299 54 L HN 0.530 nan 8.230 nan 0.000 0.535 55 N N 1.654 120.491 118.700 0.228 0.000 2.518 55 N HA 0.493 5.233 4.740 -0.000 0.000 0.266 55 N C 0.657 176.325 175.510 0.264 0.000 1.196 55 N CA 0.737 53.923 53.050 0.228 0.000 0.947 55 N CB 1.774 40.317 38.487 0.093 0.000 1.098 55 N HN 0.296 nan 8.380 nan 0.000 0.450 56 G N 0.540 109.530 108.800 0.318 0.000 2.347 56 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.224 56 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.224 56 G C -1.419 173.735 174.900 0.423 0.000 1.318 56 G CA -0.792 44.478 45.100 0.282 0.000 1.016 56 G HN 0.459 nan 8.290 nan 0.000 0.469 57 E N -0.320 120.075 120.200 0.325 0.000 2.316 57 E HA 0.497 4.847 4.350 -0.000 0.000 0.275 57 E C -0.947 175.916 176.600 0.439 0.000 1.029 57 E CA 0.058 56.650 56.400 0.320 0.000 0.871 57 E CB 0.663 30.465 29.700 0.170 0.000 1.022 57 E HN 0.384 nan 8.360 nan 0.000 0.418 58 W N 1.582 122.957 121.300 0.125 0.000 3.060 58 W HA 0.437 5.097 4.660 -0.000 0.000 0.346 58 W C -0.506 176.110 176.519 0.162 0.000 1.194 58 W CA -0.692 56.753 57.345 0.167 0.000 1.105 58 W CB 0.948 30.553 29.460 0.241 0.000 1.487 58 W HN 0.259 nan 8.180 nan 0.000 0.592 59 R N 1.524 122.289 120.500 0.442 0.000 2.445 59 R HA 0.591 4.931 4.340 -0.000 0.000 0.308 59 R C -1.536 174.948 176.300 0.307 0.000 0.961 59 R CA -0.801 55.482 56.100 0.305 0.000 0.862 59 R CB 1.965 32.390 30.300 0.208 0.000 1.144 59 R HN 0.345 nan 8.270 nan 0.000 0.447 60 F N 1.375 121.321 119.950 -0.007 0.000 2.546 60 F HA 0.725 5.252 4.527 -0.000 0.000 0.320 60 F C -1.288 174.377 175.800 -0.227 0.000 1.076 60 F CA -0.681 57.173 58.000 -0.243 0.000 0.928 60 F CB 2.042 40.752 39.000 -0.484 0.000 1.189 60 F HN 0.639 nan 8.300 nan 0.000 0.465 61 A N 4.287 126.176 122.820 -1.551 0.000 2.517 61 A HA 0.520 4.840 4.320 -0.000 0.000 0.297 61 A C -2.440 174.301 177.584 -1.405 0.000 1.050 61 A CA -0.521 50.836 52.037 -1.133 0.000 0.694 61 A CB 0.469 19.200 19.000 -0.449 0.000 1.277 61 A HN 0.977 nan 8.150 nan 0.000 0.400 62 W N 2.501 123.063 121.300 -1.230 0.000 2.606 62 W HA 0.797 5.457 4.660 0.000 0.000 0.332 62 W C -1.983 174.083 176.519 -0.755 0.000 1.052 62 W CA -0.555 56.265 57.345 -0.876 0.000 1.223 62 W CB 1.321 30.450 29.460 -0.551 0.000 1.383 62 W HN 0.501 nan 8.180 nan 0.000 0.524 63 F N 5.536 124.883 119.950 -1.006 0.000 2.591 63 F HA 0.329 4.856 4.527 0.000 0.000 0.309 63 F C -1.417 173.559 175.800 -1.374 0.000 1.098 63 F CA -2.565 54.970 58.000 -0.775 0.000 0.937 63 F CB 1.546 40.239 39.000 -0.513 0.000 1.250 63 F HN 0.186 nan 8.300 nan 0.000 0.447 64 P HA 0.020 nan 4.420 nan 0.000 0.225 64 P C -0.180 177.023 177.300 -0.162 0.000 1.148 64 P CA 1.144 64.070 63.100 -0.291 0.000 0.779 64 P CB 0.551 32.328 31.700 0.127 0.000 0.780 65 A N -1.282 121.448 122.820 -0.150 0.000 2.605 65 A HA 0.528 4.848 4.320 -0.000 0.000 0.294 65 A C -2.401 175.082 177.584 -0.168 0.000 1.062 65 A CA -1.076 50.900 52.037 -0.103 0.000 0.682 65 A CB 0.600 19.601 19.000 0.001 0.000 1.278 65 A HN -0.281 nan 8.150 nan 0.000 0.410 66 P HA -0.161 nan 4.420 nan 0.000 0.215 66 P C 1.021 178.207 177.300 -0.189 0.000 1.157 66 P CA 1.864 64.808 63.100 -0.260 0.000 0.863 66 P CB -0.016 31.491 31.700 -0.320 0.000 0.787 67 E N 0.744 120.901 120.200 -0.072 0.000 2.171 67 E HA -0.178 4.172 4.350 -0.000 0.000 0.197 67 E C 1.818 178.383 176.600 -0.058 0.000 0.997 67 E CA 1.576 57.962 56.400 -0.025 0.000 0.810 67 E CB -1.228 28.494 29.700 0.037 0.000 0.738 67 E HN 0.220 nan 8.360 nan 0.000 0.467 68 A N 1.709 124.490 122.820 -0.066 0.000 2.255 68 A HA 0.149 4.469 4.320 -0.000 0.000 0.206 68 A C 1.111 178.591 177.584 -0.173 0.000 1.193 68 A CA -0.002 52.024 52.037 -0.018 0.000 0.794 68 A CB -0.220 18.855 19.000 0.124 0.000 0.794 68 A HN 0.056 nan 8.150 nan 0.000 0.481 69 V N 1.016 120.691 119.914 -0.399 0.000 2.834 69 V HA 0.289 4.409 4.120 -0.000 0.000 0.301 69 V C -2.374 173.557 176.094 -0.272 0.000 1.066 69 V CA -1.361 60.550 62.300 -0.649 0.000 1.052 69 V CB 1.047 32.303 31.823 -0.945 0.000 1.021 69 V HN 0.264 nan 8.190 nan 0.000 0.480 70 P HA 0.437 nan 4.420 nan 0.000 0.306 70 P C 0.176 177.477 177.300 0.002 0.000 1.385 70 P CA -0.598 62.478 63.100 -0.041 0.000 0.915 70 P CB 1.794 33.513 31.700 0.031 0.000 1.013 71 E N 1.446 121.630 120.200 -0.026 0.000 2.187 71 E HA -0.211 4.139 4.350 -0.000 0.000 0.199 71 E C 1.515 178.081 176.600 -0.056 0.000 1.004 71 E CA 2.139 58.508 56.400 -0.053 0.000 0.813 71 E CB -0.215 29.455 29.700 -0.049 0.000 0.736 71 E HN 0.387 nan 8.360 nan 0.000 0.468 72 S N -0.102 115.592 115.700 -0.010 0.000 2.387 72 S HA -0.243 4.227 4.470 -0.000 0.000 0.230 72 S C 1.452 176.044 174.600 -0.013 0.000 1.035 72 S CA 1.202 59.397 58.200 -0.007 0.000 1.014 72 S CB -0.785 62.434 63.200 0.033 0.000 0.836 72 S HN 0.551 nan 8.310 nan 0.000 0.466 73 W N 2.642 123.858 121.300 -0.140 0.000 2.292 73 W HA -0.187 4.473 4.660 -0.000 0.000 0.304 73 W C 1.640 178.048 176.519 -0.186 0.000 1.228 73 W CA 1.132 58.384 57.345 -0.156 0.000 1.241 73 W CB -0.685 28.650 29.460 -0.210 0.000 1.142 73 W HN 0.248 nan 8.180 nan 0.000 0.520 74 L N 0.040 120.971 121.223 -0.486 0.000 2.083 74 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 74 L C 2.608 179.204 176.870 -0.457 0.000 1.083 74 L CA 1.537 55.964 54.840 -0.689 0.000 0.752 74 L CB -0.716 41.011 42.059 -0.553 0.000 0.899 74 L HN -0.048 nan 8.230 nan 0.000 0.433 75 E N -1.244 118.789 120.200 -0.279 0.000 2.079 75 E HA 0.068 4.418 4.350 -0.000 0.000 0.191 75 E C 0.354 176.865 176.600 -0.147 0.000 0.961 75 E CA 0.449 56.745 56.400 -0.174 0.000 0.823 75 E CB 0.108 29.745 29.700 -0.105 0.000 0.789 75 E HN 0.318 nan 8.360 nan 0.000 0.459 76 C N 1.918 121.149 119.300 -0.116 0.000 2.507 76 C HA 0.361 4.821 4.460 -0.000 0.000 0.319 76 C C 0.196 175.180 174.990 -0.009 0.000 1.208 76 C CA -1.272 57.712 59.018 -0.057 0.000 1.619 76 C CB 1.565 29.293 27.740 -0.019 0.000 2.230 76 C HN 0.243 nan 8.230 nan 0.000 0.492 77 D N 1.273 121.683 120.400 0.016 0.000 2.378 77 D HA 0.217 4.857 4.640 -0.000 0.000 0.238 77 D C -0.125 176.249 176.300 0.125 0.000 1.180 77 D CA 0.442 54.500 54.000 0.096 0.000 0.895 77 D CB 0.672 41.515 40.800 0.072 0.000 1.192 77 D HN 0.358 nan 8.370 nan 0.000 0.438 78 L N 2.462 123.786 121.223 0.168 0.000 2.416 78 L HA 0.217 4.557 4.340 -0.000 0.000 0.262 78 L C -1.199 175.713 176.870 0.070 0.000 1.093 78 L CA -1.547 53.364 54.840 0.119 0.000 0.801 78 L CB 0.636 42.770 42.059 0.125 0.000 1.191 78 L HN 0.268 nan 8.230 nan 0.000 0.459 79 P HA -0.036 nan 4.420 nan 0.000 0.216 79 P C 0.587 177.900 177.300 0.021 0.000 1.156 79 P CA 0.895 64.013 63.100 0.031 0.000 0.855 79 P CB 0.226 31.940 31.700 0.023 0.000 0.786 80 E N 0.123 120.329 120.200 0.009 0.000 2.494 80 E HA 0.245 4.595 4.350 -0.000 0.000 0.193 80 E C 0.763 177.353 176.600 -0.015 0.000 1.074 80 E CA -0.089 56.304 56.400 -0.013 0.000 0.867 80 E CB -0.756 28.918 29.700 -0.043 0.000 0.924 80 E HN 0.178 nan 8.360 nan 0.000 0.502 81 A N 1.261 124.086 122.820 0.009 0.000 2.445 81 A HA 0.135 4.455 4.320 -0.000 0.000 0.242 81 A C -0.033 177.581 177.584 0.051 0.000 1.075 81 A CA -0.236 51.809 52.037 0.013 0.000 0.777 81 A CB 0.372 19.408 19.000 0.059 0.000 1.013 81 A HN 0.052 nan 8.150 nan 0.000 0.493 82 D N 0.203 120.656 120.400 0.087 0.000 2.326 82 D HA 0.430 5.070 4.640 -0.000 0.000 0.248 82 D C -0.669 175.720 176.300 0.148 0.000 1.001 82 D CA -0.068 54.012 54.000 0.132 0.000 0.961 82 D CB 1.636 42.570 40.800 0.223 0.000 1.183 82 D HN 0.428 nan 8.370 nan 0.000 0.502 83 T N 0.911 115.539 114.554 0.122 0.000 2.767 83 T HA 0.450 4.800 4.350 -0.000 0.000 0.284 83 T C -0.089 174.683 174.700 0.119 0.000 0.973 83 T CA -0.424 61.754 62.100 0.131 0.000 0.996 83 T CB 1.043 69.971 68.868 0.100 0.000 0.927 83 T HN 0.047 nan 8.240 nan 0.000 0.456 84 V N 3.420 123.433 119.914 0.164 0.000 3.040 84 V HA 0.540 4.660 4.120 -0.000 0.000 0.312 84 V C -0.320 175.878 176.094 0.172 0.000 1.115 84 V CA -0.922 61.444 62.300 0.110 0.000 0.998 84 V CB 2.435 34.308 31.823 0.083 0.000 1.042 84 V HN 0.633 nan 8.190 nan 0.000 0.433 85 V N 2.372 122.358 119.914 0.121 0.000 2.481 85 V HA 0.542 4.662 4.120 -0.000 0.000 0.286 85 V C -0.213 175.929 176.094 0.080 0.000 1.042 85 V CA -0.427 61.950 62.300 0.127 0.000 0.928 85 V CB 1.565 33.436 31.823 0.081 0.000 0.986 85 V HN 0.556 nan 8.190 nan 0.000 0.462 86 V N 6.778 126.685 119.914 -0.011 0.000 2.604 86 V HA 0.518 4.638 4.120 -0.000 0.000 0.305 86 V C -2.276 173.737 176.094 -0.135 0.000 1.043 86 V CA -1.736 60.441 62.300 -0.205 0.000 0.888 86 V CB 2.691 34.065 31.823 -0.749 0.000 0.995 86 V HN 0.786 nan 8.190 nan 0.000 0.429 87 P HA 0.580 nan 4.420 nan 0.000 0.278 87 P C -0.969 176.284 177.300 -0.079 0.000 1.258 87 P CA -0.283 62.726 63.100 -0.152 0.000 0.811 87 P CB 1.521 33.137 31.700 -0.141 0.000 1.063 88 S N -0.346 115.328 115.700 -0.043 0.000 2.643 88 S HA 0.391 4.861 4.470 -0.000 0.000 0.266 88 S C -1.486 173.084 174.600 -0.050 0.000 1.130 88 S CA -1.013 57.158 58.200 -0.048 0.000 0.817 88 S CB 0.124 63.312 63.200 -0.019 0.000 1.107 88 S HN 0.333 nan 8.310 nan 0.000 0.471 89 N N 1.140 119.730 118.700 -0.183 0.000 2.444 89 N HA 0.424 5.164 4.740 -0.000 0.000 0.262 89 N C 0.527 175.896 175.510 -0.234 0.000 0.974 89 N CA -0.754 52.161 53.050 -0.225 0.000 0.933 89 N CB 0.713 39.025 38.487 -0.293 0.000 1.137 89 N HN 0.817 nan 8.380 nan 0.000 0.498 90 W N 3.064 124.239 121.300 -0.207 0.000 2.350 90 W HA -0.169 4.491 4.660 -0.000 0.000 0.289 90 W C 0.946 177.457 176.519 -0.013 0.000 1.215 90 W CA 1.140 58.370 57.345 -0.192 0.000 1.236 90 W CB -0.439 28.826 29.460 -0.324 0.000 1.130 90 W HN 0.498 nan 8.180 nan 0.000 0.541 91 Q N 0.246 120.058 119.800 0.020 0.000 2.291 91 Q HA -0.121 4.219 4.340 -0.000 0.000 0.206 91 Q C 2.051 178.034 176.000 -0.029 0.000 0.976 91 Q CA 1.670 57.500 55.803 0.046 0.000 0.875 91 Q CB -0.629 28.009 28.738 -0.166 0.000 0.927 91 Q HN 0.241 nan 8.270 nan 0.000 0.450 92 M N -0.889 118.616 119.600 -0.159 0.000 2.630 92 M HA -0.037 4.443 4.480 -0.000 0.000 0.254 92 M C 0.411 176.684 176.300 -0.046 0.000 1.092 92 M CA 1.241 56.427 55.300 -0.189 0.000 1.087 92 M CB -0.531 31.888 32.600 -0.303 0.000 1.453 92 M HN 0.336 nan 8.290 nan 0.000 0.509 93 H N -1.358 117.785 119.070 0.122 0.000 2.592 93 H HA 0.354 4.910 4.556 -0.000 0.000 0.279 93 H C 1.257 176.512 175.328 -0.122 0.000 1.089 93 H CA 0.090 56.191 56.048 0.089 0.000 1.150 93 H CB 0.468 30.429 29.762 0.332 0.000 1.575 93 H HN 0.502 nan 8.280 nan 0.000 0.547 94 G N 0.625 109.464 108.800 0.067 0.000 2.179 94 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.260 94 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.260 94 G C 0.519 175.329 174.900 -0.150 0.000 0.977 94 G CA 0.607 45.662 45.100 -0.075 0.000 0.641 94 G HN 0.471 nan 8.290 nan 0.000 0.533 95 Y N 1.812 122.149 120.300 0.061 0.000 2.207 95 Y HA 0.196 4.746 4.550 0.000 0.000 0.287 95 Y C 1.721 177.444 175.900 -0.296 0.000 1.156 95 Y CA 1.639 59.647 58.100 -0.153 0.000 1.182 95 Y CB -0.072 38.307 38.460 -0.134 0.000 0.979 95 Y HN 0.663 nan 8.280 nan 0.000 0.521 96 D N -2.429 118.119 120.400 0.247 0.000 2.768 96 D HA 0.512 5.152 4.640 -0.000 0.000 0.327 96 D C -1.157 175.279 176.300 0.227 0.000 1.302 96 D CA -0.769 53.377 54.000 0.242 0.000 0.897 96 D CB 0.690 41.798 40.800 0.512 0.000 1.420 96 D HN 0.002 nan 8.370 nan 0.000 0.494 97 A N -0.346 122.606 122.820 0.220 0.000 2.316 97 A HA 0.703 5.023 4.320 -0.000 0.000 0.284 97 A C -2.412 175.226 177.584 0.091 0.000 1.115 97 A CA -1.133 51.006 52.037 0.169 0.000 0.812 97 A CB 0.092 19.240 19.000 0.246 0.000 1.064 97 A HN 0.488 nan 8.150 nan 0.000 0.489 98 P HA 0.506 nan 4.420 nan 0.000 0.288 98 P C -0.857 176.578 177.300 0.225 0.000 1.267 98 P CA -0.010 63.029 63.100 -0.101 0.000 0.815 98 P CB 0.886 32.237 31.700 -0.581 0.000 0.989 99 I N 2.236 123.035 120.570 0.381 0.000 2.493 99 I HA 0.344 4.514 4.170 -0.000 0.000 0.298 99 I C -0.629 175.709 176.117 0.368 0.000 0.998 99 I CA -0.978 60.559 61.300 0.396 0.000 1.137 99 I CB 1.805 39.959 38.000 0.256 0.000 1.310 99 I HN 0.311 nan 8.210 nan 0.000 0.445 100 Y N 5.335 125.616 120.300 -0.032 0.000 2.686 100 Y HA 0.430 4.980 4.550 -0.000 0.000 0.331 100 Y C -0.383 175.364 175.900 -0.255 0.000 0.996 100 Y CA -0.523 57.298 58.100 -0.465 0.000 1.293 100 Y CB 0.842 38.413 38.460 -1.481 0.000 1.092 100 Y HN 0.675 nan 8.280 nan 0.000 0.524 101 T N 0.966 114.984 114.554 -0.893 0.000 2.930 101 T HA 0.334 4.684 4.350 -0.000 0.000 0.290 101 T C 0.202 174.369 174.700 -0.889 0.000 1.052 101 T CA -0.810 60.793 62.100 -0.827 0.000 1.017 101 T CB 2.333 70.941 68.868 -0.433 0.000 1.137 101 T HN 0.699 nan 8.240 nan 0.000 0.511 102 N N -0.210 118.068 118.700 -0.703 0.000 2.622 102 N HA 0.020 4.760 4.740 -0.000 0.000 0.213 102 N C 1.171 176.383 175.510 -0.497 0.000 1.037 102 N CA 0.172 52.917 53.050 -0.509 0.000 0.999 102 N CB 0.415 38.618 38.487 -0.474 0.000 1.342 102 N HN 0.334 nan 8.380 nan 0.000 0.465 103 V N 0.915 120.472 119.914 -0.595 0.000 2.521 103 V HA 0.087 4.207 4.120 -0.000 0.000 0.239 103 V C 0.613 176.370 176.094 -0.563 0.000 1.053 103 V CA 0.769 62.640 62.300 -0.715 0.000 1.073 103 V CB -0.093 31.232 31.823 -0.829 0.000 0.746 103 V HN 0.281 nan 8.190 nan 0.000 0.476 104 T N 1.142 115.437 114.554 -0.432 0.000 2.871 104 T HA 0.106 4.456 4.350 -0.000 0.000 0.296 104 T C -0.404 174.133 174.700 -0.271 0.000 0.998 104 T CA 0.368 62.290 62.100 -0.297 0.000 1.162 104 T CB -0.300 68.433 68.868 -0.224 0.000 0.947 104 T HN 0.189 nan 8.240 nan 0.000 0.536 105 Y N 4.838 125.027 120.300 -0.185 0.000 2.597 105 Y HA 0.112 4.662 4.550 -0.000 0.000 0.336 105 Y C -0.939 174.820 175.900 -0.236 0.000 1.216 105 Y CA -1.829 56.148 58.100 -0.205 0.000 1.463 105 Y CB 0.429 38.764 38.460 -0.207 0.000 1.303 105 Y HN 0.556 nan 8.280 nan 0.000 0.576 106 P HA -0.124 nan 4.420 nan 0.000 0.220 106 P C 0.129 177.233 177.300 -0.326 0.000 1.148 106 P CA 1.406 64.386 63.100 -0.200 0.000 0.803 106 P CB 0.193 31.755 31.700 -0.230 0.000 0.782 107 I N -4.839 115.476 120.570 -0.425 0.000 3.237 107 I HA 0.462 4.632 4.170 -0.000 0.000 0.308 107 I C -0.584 175.391 176.117 -0.236 0.000 1.093 107 I CA -1.055 59.980 61.300 -0.442 0.000 1.001 107 I CB 1.503 39.071 38.000 -0.720 0.000 1.245 107 I HN -0.425 nan 8.210 nan 0.000 0.485 108 T N 2.264 116.721 114.554 -0.163 0.000 2.919 108 T HA 0.221 4.571 4.350 -0.000 0.000 0.302 108 T C 0.141 174.820 174.700 -0.036 0.000 1.031 108 T CA -0.321 61.741 62.100 -0.063 0.000 1.127 108 T CB 0.989 69.851 68.868 -0.010 0.000 0.952 108 T HN 0.375 nan 8.240 nan 0.000 0.540 109 V N 4.637 124.555 119.914 0.006 0.000 2.352 109 V HA 0.252 4.372 4.120 -0.000 0.000 0.253 109 V C 0.648 176.813 176.094 0.117 0.000 1.083 109 V CA -0.180 62.158 62.300 0.064 0.000 0.993 109 V CB -0.386 31.460 31.823 0.038 0.000 1.111 109 V HN 0.845 nan 8.190 nan 0.000 0.490 110 N N 5.622 124.463 118.700 0.235 0.000 2.679 110 N HA 0.241 4.981 4.740 -0.000 0.000 0.240 110 N C -2.993 172.581 175.510 0.108 0.000 1.537 110 N CA -1.242 51.918 53.050 0.182 0.000 0.793 110 N CB 1.476 40.119 38.487 0.259 0.000 1.391 110 N HN 0.263 nan 8.380 nan 0.000 0.524 111 P HA 0.181 nan 4.420 nan 0.000 0.266 111 P C -2.375 174.600 177.300 -0.541 0.000 1.195 111 P CA -0.713 61.887 63.100 -0.833 0.000 0.768 111 P CB 0.366 31.391 31.700 -1.125 0.000 0.838 112 P HA 0.277 nan 4.420 nan 0.000 0.257 112 P C -0.680 176.453 177.300 -0.278 0.000 1.737 112 P CA -0.356 62.459 63.100 -0.475 0.000 1.130 112 P CB -0.208 31.253 31.700 -0.398 0.000 1.572 113 F N -0.327 119.737 119.950 0.192 0.000 2.396 113 F HA 0.282 4.809 4.527 0.000 0.000 0.343 113 F C 1.130 177.114 175.800 0.306 0.000 1.104 113 F CA -0.961 57.168 58.000 0.214 0.000 1.161 113 F CB 1.178 40.250 39.000 0.120 0.000 1.146 113 F HN -0.263 nan 8.300 nan 0.000 0.522 114 V N 3.700 123.920 119.914 0.510 0.000 2.966 114 V HA 0.416 4.536 4.120 -0.000 0.000 0.317 114 V C -2.011 174.281 176.094 0.330 0.000 1.070 114 V CA -1.889 60.644 62.300 0.389 0.000 1.008 114 V CB 1.878 34.024 31.823 0.539 0.000 1.070 114 V HN 0.523 nan 8.190 nan 0.000 0.457 115 P HA 0.168 nan 4.420 nan 0.000 0.285 115 P C 0.807 178.272 177.300 0.274 0.000 1.259 115 P CA -0.048 63.178 63.100 0.209 0.000 0.794 115 P CB 0.911 32.692 31.700 0.136 0.000 0.940 116 T N 0.243 114.920 114.554 0.206 0.000 2.721 116 T HA -0.229 4.121 4.350 -0.000 0.000 0.268 116 T C 0.373 175.187 174.700 0.190 0.000 1.038 116 T CA 1.414 63.630 62.100 0.193 0.000 1.145 116 T CB -0.816 68.129 68.868 0.128 0.000 0.858 116 T HN 0.385 nan 8.240 nan 0.000 0.459 117 E N 2.722 123.038 120.200 0.194 0.000 1.941 117 E HA 0.446 4.796 4.350 -0.000 0.000 0.275 117 E C -0.643 176.109 176.600 0.254 0.000 1.113 117 E CA -0.300 56.214 56.400 0.190 0.000 0.878 117 E CB 0.315 30.132 29.700 0.195 0.000 1.070 117 E HN 0.497 nan 8.360 nan 0.000 0.399 118 N N 3.353 122.157 118.700 0.173 0.000 2.531 118 N HA 0.291 5.031 4.740 -0.000 0.000 0.268 118 N C -2.813 172.667 175.510 -0.050 0.000 1.023 118 N CA -2.718 50.430 53.050 0.164 0.000 0.896 118 N CB 1.117 39.748 38.487 0.240 0.000 1.233 118 N HN -0.028 nan 8.380 nan 0.000 0.512 119 P HA -0.002 nan 4.420 nan 0.000 0.256 119 P C -0.757 176.389 177.300 -0.257 0.000 1.173 119 P CA 0.547 63.512 63.100 -0.225 0.000 0.768 119 P CB 0.156 31.975 31.700 0.197 0.000 0.758 120 T N 2.669 116.877 114.554 -0.578 0.000 2.824 120 T HA 0.602 4.952 4.350 -0.000 0.000 0.280 120 T C 0.458 174.732 174.700 -0.710 0.000 0.995 120 T CA -0.544 61.283 62.100 -0.455 0.000 1.009 120 T CB 1.687 70.303 68.868 -0.420 0.000 0.955 120 T HN 0.321 nan 8.240 nan 0.000 0.452 121 G N 0.902 109.428 108.800 -0.456 0.000 2.533 121 G HA2 0.484 4.444 3.960 -0.000 0.000 0.310 121 G HA3 0.484 4.444 3.960 -0.000 0.000 0.310 121 G C -0.335 174.499 174.900 -0.110 0.000 1.266 121 G CA -0.456 44.387 45.100 -0.429 0.000 0.967 121 G HN 0.905 nan 8.290 nan 0.000 0.493 122 C N 3.173 122.130 119.300 -0.572 0.000 2.281 122 C HA 0.478 4.938 4.460 -0.000 0.000 0.336 122 C C -0.488 174.473 174.990 -0.050 0.000 1.217 122 C CA -1.048 57.637 59.018 -0.554 0.000 1.730 122 C CB -1.753 25.041 27.740 -1.577 0.000 2.338 122 C HN 0.596 nan 8.230 nan 0.000 0.521 123 Y N 1.747 122.251 120.300 0.341 0.000 2.387 123 Y HA 0.625 5.175 4.550 0.000 0.000 0.330 123 Y C 0.762 177.113 175.900 0.752 0.000 1.133 123 Y CA -0.456 57.989 58.100 0.575 0.000 1.152 123 Y CB 1.372 40.143 38.460 0.519 0.000 1.215 123 Y HN 0.695 nan 8.280 nan 0.000 0.466 124 S N 2.849 119.039 115.700 0.815 0.000 2.541 124 S HA 0.809 5.279 4.470 -0.000 0.000 0.271 124 S C -1.594 173.096 174.600 0.150 0.000 1.133 124 S CA -0.878 57.611 58.200 0.481 0.000 0.876 124 S CB 2.203 65.635 63.200 0.388 0.000 1.105 124 S HN 0.678 nan 8.310 nan 0.000 0.470 125 L N 0.910 122.075 121.223 -0.096 0.000 2.565 125 L HA 0.684 5.024 4.340 -0.000 0.000 0.261 125 L C -1.512 175.333 176.870 -0.040 0.000 0.932 125 L CA -0.013 54.605 54.840 -0.369 0.000 0.878 125 L CB 2.244 43.492 42.059 -1.352 0.000 1.333 125 L HN 0.784 nan 8.230 nan 0.000 0.409 126 T N 5.283 119.827 114.554 -0.017 0.000 2.771 126 T HA 0.755 5.105 4.350 -0.000 0.000 0.281 126 T C -0.894 173.889 174.700 0.138 0.000 0.982 126 T CA -0.086 62.043 62.100 0.047 0.000 0.978 126 T CB 0.561 69.405 68.868 -0.039 0.000 0.930 126 T HN 0.470 nan 8.240 nan 0.000 0.447 127 F N 0.709 120.578 119.950 -0.134 0.000 2.711 127 F HA 0.694 5.221 4.527 -0.000 0.000 0.313 127 F C -0.985 174.757 175.800 -0.096 0.000 1.141 127 F CA -1.498 56.429 58.000 -0.122 0.000 0.941 127 F CB 1.325 40.243 39.000 -0.137 0.000 1.349 127 F HN 0.264 nan 8.300 nan 0.000 0.464 128 N N 0.149 118.799 118.700 -0.082 0.000 2.443 128 N HA 0.707 5.447 4.740 -0.000 0.000 0.295 128 N C -1.669 173.789 175.510 -0.086 0.000 1.076 128 N CA -0.591 52.366 53.050 -0.154 0.000 0.919 128 N CB 2.156 40.584 38.487 -0.099 0.000 1.176 128 N HN 0.582 nan 8.380 nan 0.000 0.487 129 V N 1.360 121.183 119.914 -0.153 0.000 2.540 129 V HA 0.266 4.386 4.120 -0.000 0.000 0.302 129 V C -0.210 175.765 176.094 -0.199 0.000 1.035 129 V CA -1.015 61.195 62.300 -0.150 0.000 0.873 129 V CB 1.599 33.388 31.823 -0.056 0.000 0.992 129 V HN 0.653 nan 8.190 nan 0.000 0.428 130 D N 2.916 123.101 120.400 -0.358 0.000 2.423 130 D HA -0.002 4.638 4.640 -0.000 0.000 0.238 130 D C 1.178 177.395 176.300 -0.138 0.000 1.142 130 D CA 0.194 54.021 54.000 -0.288 0.000 0.884 130 D CB 1.536 42.084 40.800 -0.420 0.000 1.199 130 D HN 0.878 nan 8.370 nan 0.000 0.438 131 E N 1.070 121.234 120.200 -0.061 0.000 2.299 131 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 131 E C 1.644 178.281 176.600 0.061 0.000 0.998 131 E CA 0.812 57.217 56.400 0.008 0.000 0.851 131 E CB -0.194 29.506 29.700 -0.001 0.000 0.795 131 E HN 0.378 nan 8.360 nan 0.000 0.492 132 S N 0.389 116.123 115.700 0.057 0.000 2.387 132 S HA -0.222 4.248 4.470 -0.000 0.000 0.230 132 S C 1.539 176.237 174.600 0.164 0.000 1.035 132 S CA 1.051 59.315 58.200 0.106 0.000 1.014 132 S CB -0.866 62.402 63.200 0.114 0.000 0.836 132 S HN 0.522 nan 8.310 nan 0.000 0.466 133 W N 1.472 122.644 121.300 -0.213 0.000 2.402 133 W HA 0.282 4.942 4.660 0.000 0.000 0.286 133 W C 2.226 178.689 176.519 -0.092 0.000 1.221 133 W CA -0.067 57.022 57.345 -0.427 0.000 1.257 133 W CB -0.855 28.362 29.460 -0.404 0.000 1.120 133 W HN 0.314 nan 8.180 nan 0.000 0.551 134 L N -0.274 121.079 121.223 0.216 0.000 2.291 134 L HA -0.183 4.157 4.340 -0.000 0.000 0.214 134 L C 2.293 179.237 176.870 0.124 0.000 1.120 134 L CA 0.971 55.908 54.840 0.162 0.000 0.799 134 L CB -0.376 41.747 42.059 0.107 0.000 0.925 134 L HN 0.044 nan 8.230 nan 0.000 0.446 135 Q N -0.326 119.542 119.800 0.113 0.000 1.922 135 Q HA -0.103 4.237 4.340 -0.000 0.000 0.201 135 Q C 0.891 176.948 176.000 0.094 0.000 0.979 135 Q CA 1.053 56.908 55.803 0.087 0.000 0.841 135 Q CB -0.008 28.774 28.738 0.074 0.000 0.903 135 Q HN 0.260 nan 8.270 nan 0.000 0.431 136 E N 0.331 120.602 120.200 0.119 0.000 2.264 136 E HA 0.438 4.788 4.350 -0.000 0.000 0.260 136 E C 0.337 177.035 176.600 0.164 0.000 0.961 136 E CA 0.008 56.473 56.400 0.110 0.000 0.834 136 E CB 1.040 30.787 29.700 0.079 0.000 1.230 136 E HN 0.347 nan 8.360 nan 0.000 0.412 137 G N 0.778 109.593 108.800 0.025 0.000 2.698 137 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.233 137 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.233 137 G C -0.838 173.962 174.900 -0.166 0.000 1.352 137 G CA 0.194 45.191 45.100 -0.171 0.000 0.879 137 G HN 0.796 nan 8.290 nan 0.000 0.567 138 Q N -0.642 118.911 119.800 -0.412 0.000 2.356 138 Q HA 0.652 4.992 4.340 -0.000 0.000 0.270 138 Q C -1.235 174.624 176.000 -0.235 0.000 1.058 138 Q CA -0.478 55.192 55.803 -0.222 0.000 0.802 138 Q CB 1.915 30.556 28.738 -0.162 0.000 1.303 138 Q HN 0.636 nan 8.270 nan 0.000 0.444 139 T N 4.641 119.206 114.554 0.019 0.000 2.809 139 T HA 0.522 4.872 4.350 -0.000 0.000 0.284 139 T C -0.912 173.862 174.700 0.123 0.000 0.992 139 T CA -0.642 61.528 62.100 0.116 0.000 0.957 139 T CB 0.705 69.772 68.868 0.331 0.000 0.942 139 T HN 0.651 nan 8.240 nan 0.000 0.439 140 R N 3.367 123.918 120.500 0.085 0.000 2.837 140 R HA 0.721 5.061 4.340 -0.000 0.000 0.271 140 R C -1.311 175.033 176.300 0.072 0.000 0.993 140 R CA -0.951 55.205 56.100 0.092 0.000 0.931 140 R CB 1.661 32.000 30.300 0.065 0.000 1.206 140 R HN 0.537 nan 8.270 nan 0.000 0.474 141 I N 2.717 123.319 120.570 0.053 0.000 2.607 141 I HA 0.467 4.637 4.170 -0.000 0.000 0.305 141 I C -0.995 175.043 176.117 -0.133 0.000 0.995 141 I CA -1.449 59.807 61.300 -0.073 0.000 1.148 141 I CB 1.508 39.431 38.000 -0.128 0.000 1.323 141 I HN 0.644 nan 8.210 nan 0.000 0.461 142 I N 6.589 126.971 120.570 -0.312 0.000 2.512 142 I HA 0.264 4.434 4.170 -0.000 0.000 0.287 142 I C -1.291 174.549 176.117 -0.461 0.000 1.069 142 I CA -0.368 60.765 61.300 -0.278 0.000 1.056 142 I CB 1.749 39.674 38.000 -0.124 0.000 1.229 142 I HN 0.354 nan 8.210 nan 0.000 0.429 143 F N 4.531 124.485 119.950 0.007 0.000 2.350 143 F HA 0.252 4.779 4.527 -0.000 0.000 0.365 143 F C 1.282 176.988 175.800 -0.156 0.000 1.122 143 F CA -0.449 57.489 58.000 -0.103 0.000 1.139 143 F CB 0.834 39.761 39.000 -0.122 0.000 1.220 143 F HN 0.487 nan 8.300 nan 0.000 0.499 144 D N 2.394 122.763 120.400 -0.051 0.000 2.264 144 D HA 0.050 4.690 4.640 -0.000 0.000 0.208 144 D C 0.948 177.104 176.300 -0.240 0.000 0.966 144 D CA 0.906 54.816 54.000 -0.150 0.000 0.864 144 D CB 0.360 41.038 40.800 -0.203 0.000 0.933 144 D HN 0.649 nan 8.370 nan 0.000 0.499 145 G N -0.701 107.882 108.800 -0.363 0.000 2.524 145 G HA2 0.409 4.369 3.960 -0.000 0.000 0.306 145 G HA3 0.409 4.369 3.960 -0.000 0.000 0.306 145 G C -1.580 172.872 174.900 -0.747 0.000 1.420 145 G CA -0.519 44.197 45.100 -0.640 0.000 1.086 145 G HN -0.057 nan 8.290 nan 0.000 0.591 146 V N 2.457 122.183 119.914 -0.313 0.000 2.524 146 V HA 0.560 4.680 4.120 -0.000 0.000 0.297 146 V C -0.760 175.386 176.094 0.086 0.000 1.035 146 V CA -1.128 61.036 62.300 -0.227 0.000 0.867 146 V CB 1.852 33.272 31.823 -0.672 0.000 1.004 146 V HN 0.783 nan 8.190 nan 0.000 0.426 147 N N 2.612 121.410 118.700 0.163 0.000 2.372 147 N HA 0.391 5.131 4.740 -0.000 0.000 0.285 147 N C 0.664 176.123 175.510 -0.085 0.000 1.008 147 N CA 0.159 53.236 53.050 0.046 0.000 0.880 147 N CB 2.420 40.848 38.487 -0.099 0.000 1.239 147 N HN 0.599 nan 8.380 nan 0.000 0.484 148 S N 2.429 118.106 115.700 -0.039 0.000 2.502 148 S HA 0.495 4.965 4.470 -0.000 0.000 0.228 148 S C 0.550 175.216 174.600 0.111 0.000 1.061 148 S CA 0.339 58.569 58.200 0.050 0.000 0.935 148 S CB 0.049 63.294 63.200 0.076 0.000 0.809 148 S HN 0.694 nan 8.310 nan 0.000 0.510 149 A N 0.743 123.642 122.820 0.132 0.000 2.485 149 A HA 0.867 5.187 4.320 -0.000 0.000 0.292 149 A C -1.033 176.707 177.584 0.262 0.000 1.147 149 A CA -0.974 51.134 52.037 0.118 0.000 0.750 149 A CB 1.094 20.184 19.000 0.150 0.000 1.331 149 A HN 1.235 nan 8.150 nan 0.000 0.419 150 F N -1.131 118.726 119.950 -0.154 0.000 2.746 150 F HA 0.594 5.121 4.527 -0.000 0.000 0.311 150 F C -1.468 174.371 175.800 0.065 0.000 1.135 150 F CA -0.814 57.184 58.000 -0.003 0.000 0.954 150 F CB 0.865 39.823 39.000 -0.069 0.000 1.276 150 F HN 0.643 nan 8.300 nan 0.000 0.440 151 H N 1.908 121.150 119.070 0.287 0.000 2.533 151 H HA 0.812 5.368 4.556 -0.000 0.000 0.343 151 H C -1.401 174.010 175.328 0.138 0.000 1.160 151 H CA -0.682 55.484 56.048 0.197 0.000 1.218 151 H CB 2.351 32.285 29.762 0.286 0.000 1.566 151 H HN 0.832 nan 8.280 nan 0.000 0.522 152 L N 2.105 123.232 121.223 -0.160 0.000 2.431 152 L HA 0.417 4.757 4.340 -0.000 0.000 0.266 152 L C -1.864 174.678 176.870 -0.546 0.000 0.978 152 L CA -0.521 54.220 54.840 -0.164 0.000 0.822 152 L CB 1.850 43.755 42.059 -0.256 0.000 1.310 152 L HN 0.508 nan 8.230 nan 0.000 0.409 153 W N 4.185 125.448 121.300 -0.061 0.000 2.936 153 W HA 0.631 5.292 4.660 0.000 0.000 0.338 153 W C -1.234 175.212 176.519 -0.122 0.000 1.121 153 W CA -0.780 56.496 57.345 -0.116 0.000 1.209 153 W CB 2.103 31.525 29.460 -0.064 0.000 1.420 153 W HN 0.692 nan 8.180 nan 0.000 0.516 154 C N 4.974 124.342 119.300 0.114 0.000 2.446 154 C HA 0.318 4.778 4.460 -0.000 0.000 0.329 154 C C 0.092 175.179 174.990 0.162 0.000 1.166 154 C CA -0.388 58.679 59.018 0.081 0.000 1.341 154 C CB -0.412 27.296 27.740 -0.054 0.000 1.970 154 C HN 0.800 nan 8.230 nan 0.000 0.452 155 N N 3.725 122.488 118.700 0.105 0.000 2.725 155 N HA -0.182 4.558 4.740 -0.000 0.000 0.251 155 N C 0.999 176.565 175.510 0.092 0.000 1.031 155 N CA 2.106 55.197 53.050 0.068 0.000 0.720 155 N CB -1.299 37.230 38.487 0.070 0.000 0.930 155 N HN 1.932 nan 8.380 nan 0.000 0.543 156 G N -1.327 107.514 108.800 0.069 0.000 2.234 156 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.260 156 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.260 156 G C 0.230 175.290 174.900 0.267 0.000 0.987 156 G CA 0.665 45.799 45.100 0.058 0.000 0.625 156 G HN 0.573 nan 8.290 nan 0.000 0.532 157 R N -0.853 119.875 120.500 0.379 0.000 2.312 157 R HA 0.455 4.795 4.340 -0.000 0.000 0.311 157 R C -0.068 176.533 176.300 0.501 0.000 1.004 157 R CA -0.879 55.523 56.100 0.503 0.000 0.902 157 R CB 0.670 31.298 30.300 0.547 0.000 1.073 157 R HN 0.258 nan 8.270 nan 0.000 0.457 158 W N 4.001 125.454 121.300 0.255 0.000 2.251 158 W HA 0.093 4.753 4.660 -0.000 0.000 0.327 158 W C -0.136 176.208 176.519 -0.290 0.000 1.361 158 W CA 0.058 57.147 57.345 -0.427 0.000 1.234 158 W CB 0.627 29.883 29.460 -0.341 0.000 1.212 158 W HN 0.345 nan 8.180 nan 0.000 0.557 159 V N 4.957 123.822 119.914 -1.749 0.000 2.948 159 V HA 0.578 4.698 4.120 -0.000 0.000 0.234 159 V C 0.941 175.928 176.094 -1.845 0.000 1.205 159 V CA 0.795 62.209 62.300 -1.477 0.000 1.234 159 V CB -0.277 30.821 31.823 -1.208 0.000 1.020 159 V HN 0.778 nan 8.190 nan 0.000 0.491 160 G N -1.698 105.905 108.800 -1.996 0.000 2.554 160 G HA2 0.524 4.484 3.960 -0.000 0.000 0.306 160 G HA3 0.524 4.484 3.960 -0.000 0.000 0.306 160 G C -2.504 172.198 174.900 -0.331 0.000 1.320 160 G CA -0.327 44.140 45.100 -1.054 0.000 0.800 160 G HN -0.012 nan 8.290 nan 0.000 0.481 161 Y N -0.655 119.595 120.300 -0.084 0.000 2.588 161 Y HA 0.739 5.289 4.550 -0.000 0.000 0.343 161 Y C -0.043 175.726 175.900 -0.218 0.000 1.065 161 Y CA -0.258 57.680 58.100 -0.270 0.000 1.038 161 Y CB 2.332 40.728 38.460 -0.108 0.000 1.297 161 Y HN 1.192 nan 8.280 nan 0.000 0.467 162 G N 3.318 111.359 108.800 -1.265 0.000 2.742 162 G HA2 0.569 4.529 3.960 -0.000 0.000 0.296 162 G HA3 0.569 4.529 3.960 -0.000 0.000 0.296 162 G C -2.176 172.281 174.900 -0.738 0.000 1.436 162 G CA -0.906 43.729 45.100 -0.776 0.000 0.928 162 G HN 0.599 nan 8.290 nan 0.000 0.520 163 Q N -0.085 119.516 119.800 -0.332 0.000 2.496 163 Q HA 0.609 4.949 4.340 -0.000 0.000 0.286 163 Q C -1.359 174.636 176.000 -0.007 0.000 1.103 163 Q CA -0.842 54.880 55.803 -0.134 0.000 0.813 163 Q CB 2.782 31.483 28.738 -0.062 0.000 1.444 163 Q HN 0.654 nan 8.270 nan 0.000 0.443 164 D N -0.074 120.361 120.400 0.058 0.000 4.150 164 D HA -0.097 4.543 4.640 -0.000 0.000 0.231 164 D C -0.204 176.158 176.300 0.104 0.000 1.129 164 D CA 0.673 54.724 54.000 0.085 0.000 1.005 164 D CB -0.701 40.136 40.800 0.062 0.000 0.691 164 D HN 0.575 nan 8.370 nan 0.000 0.320 165 S N 3.077 118.853 115.700 0.127 0.000 2.465 165 S HA -0.159 4.311 4.470 -0.000 0.000 0.241 165 S C 1.601 176.324 174.600 0.205 0.000 1.000 165 S CA 0.714 59.017 58.200 0.172 0.000 0.964 165 S CB 0.128 63.417 63.200 0.149 0.000 0.763 165 S HN 0.568 nan 8.310 nan 0.000 0.512 166 R N 0.230 120.820 120.500 0.150 0.000 2.362 166 R HA 0.449 4.789 4.340 -0.000 0.000 0.227 166 R C 0.055 176.416 176.300 0.102 0.000 0.905 166 R CA 0.044 56.233 56.100 0.148 0.000 1.067 166 R CB -0.370 30.030 30.300 0.167 0.000 1.078 166 R HN 0.378 nan 8.270 nan 0.000 0.516 167 L N 1.278 122.539 121.223 0.063 0.000 2.301 167 L HA 0.501 4.841 4.340 -0.000 0.000 0.264 167 L C -2.333 174.529 176.870 -0.014 0.000 1.016 167 L CA -2.438 52.411 54.840 0.016 0.000 0.821 167 L CB 1.959 44.020 42.059 0.003 0.000 1.346 167 L HN -0.232 nan 8.230 nan 0.000 0.429 168 P HA 0.133 nan 4.420 nan 0.000 0.269 168 P C -1.144 176.144 177.300 -0.021 0.000 1.215 168 P CA -0.221 62.850 63.100 -0.048 0.000 0.780 168 P CB 0.794 32.427 31.700 -0.113 0.000 0.898 169 S N 1.104 116.843 115.700 0.066 0.000 2.561 169 S HA 0.362 4.832 4.470 -0.000 0.000 0.303 169 S C -0.735 173.868 174.600 0.005 0.000 1.110 169 S CA -0.615 57.620 58.200 0.057 0.000 1.034 169 S CB 0.948 64.334 63.200 0.311 0.000 1.010 169 S HN 0.343 nan 8.310 nan 0.000 0.482 170 E N 1.905 121.929 120.200 -0.293 0.000 2.238 170 E HA 0.629 4.979 4.350 -0.000 0.000 0.267 170 E C -1.505 174.797 176.600 -0.496 0.000 0.887 170 E CA -0.618 55.657 56.400 -0.209 0.000 0.769 170 E CB 1.690 31.355 29.700 -0.057 0.000 1.187 170 E HN 0.417 nan 8.360 nan 0.000 0.416 171 F N 0.334 120.302 119.950 0.029 0.000 2.578 171 F HA 0.239 4.766 4.527 0.000 0.000 0.311 171 F C -0.184 175.618 175.800 0.004 0.000 1.094 171 F CA -1.202 56.800 58.000 0.003 0.000 0.923 171 F CB 1.356 40.333 39.000 -0.037 0.000 1.230 171 F HN 0.242 nan 8.300 nan 0.000 0.450 172 D N 2.425 122.960 120.400 0.226 0.000 2.336 172 D HA 0.262 4.902 4.640 -0.000 0.000 0.249 172 D C 0.463 176.888 176.300 0.208 0.000 1.213 172 D CA 0.286 54.389 54.000 0.172 0.000 0.870 172 D CB 1.004 41.894 40.800 0.149 0.000 1.076 172 D HN 0.585 nan 8.370 nan 0.000 0.483 173 L N 2.516 123.860 121.223 0.201 0.000 2.513 173 L HA -0.035 4.305 4.340 -0.000 0.000 0.222 173 L C 2.192 179.303 176.870 0.402 0.000 1.096 173 L CA -0.062 54.931 54.840 0.255 0.000 0.857 173 L CB -0.057 42.117 42.059 0.193 0.000 1.026 173 L HN 0.329 nan 8.230 nan 0.000 0.469 174 S N 1.182 117.048 115.700 0.276 0.000 2.429 174 S HA -0.354 4.116 4.470 -0.000 0.000 0.251 174 S C 1.871 176.579 174.600 0.181 0.000 1.104 174 S CA 2.055 60.380 58.200 0.208 0.000 1.130 174 S CB -0.281 63.000 63.200 0.135 0.000 1.000 174 S HN 0.586 nan 8.310 nan 0.000 0.449 175 A N -0.826 122.102 122.820 0.180 0.000 2.251 175 A HA 0.370 4.690 4.320 -0.000 0.000 0.209 175 A C 0.984 178.427 177.584 -0.234 0.000 1.187 175 A CA 0.239 52.222 52.037 -0.090 0.000 0.823 175 A CB -0.259 18.548 19.000 -0.322 0.000 0.846 175 A HN 0.487 nan 8.150 nan 0.000 0.486 176 F N -0.960 119.025 119.950 0.058 0.000 2.706 176 F HA 0.391 4.918 4.527 -0.000 0.000 0.313 176 F C 0.287 176.116 175.800 0.048 0.000 1.096 176 F CA -0.682 57.348 58.000 0.051 0.000 1.219 176 F CB -0.054 38.978 39.000 0.054 0.000 1.051 176 F HN -0.075 nan 8.300 nan 0.000 0.568 177 L N 1.907 123.279 121.223 0.248 0.000 2.350 177 L HA 0.480 4.820 4.340 -0.000 0.000 0.275 177 L C 0.320 177.235 176.870 0.074 0.000 1.099 177 L CA -0.445 54.486 54.840 0.153 0.000 0.808 177 L CB 0.935 43.103 42.059 0.183 0.000 1.149 177 L HN -0.009 nan 8.230 nan 0.000 0.442 178 R N 1.588 122.096 120.500 0.014 0.000 2.787 178 R HA 0.712 5.052 4.340 -0.000 0.000 0.271 178 R C -0.527 175.749 176.300 -0.040 0.000 0.993 178 R CA -0.934 55.156 56.100 -0.016 0.000 0.993 178 R CB 1.718 31.993 30.300 -0.042 0.000 1.155 178 R HN 0.693 nan 8.270 nan 0.000 0.486 179 A N 0.828 123.627 122.820 -0.034 0.000 2.407 179 A HA 0.542 4.862 4.320 -0.000 0.000 0.248 179 A C 0.937 178.471 177.584 -0.084 0.000 1.082 179 A CA 0.775 52.783 52.037 -0.048 0.000 0.785 179 A CB -0.044 18.937 19.000 -0.031 0.000 1.020 179 A HN 0.894 nan 8.150 nan 0.000 0.489 180 G N 0.793 109.529 108.800 -0.105 0.000 2.536 180 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.277 180 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.277 180 G C 0.059 174.841 174.900 -0.196 0.000 1.155 180 G CA 0.352 45.377 45.100 -0.126 0.000 0.960 180 G HN 0.994 nan 8.290 nan 0.000 0.544 181 E N 2.359 122.447 120.200 -0.187 0.000 2.257 181 E HA 0.339 4.689 4.350 -0.000 0.000 0.278 181 E C -0.060 176.344 176.600 -0.327 0.000 1.049 181 E CA -0.048 56.202 56.400 -0.250 0.000 0.876 181 E CB 0.195 29.795 29.700 -0.167 0.000 1.035 181 E HN 0.424 nan 8.360 nan 0.000 0.419 182 N N 3.057 121.404 118.700 -0.588 0.000 2.321 182 N HA 0.413 5.153 4.740 -0.000 0.000 0.290 182 N C -0.844 174.347 175.510 -0.532 0.000 1.212 182 N CA -0.739 51.938 53.050 -0.621 0.000 0.767 182 N CB 2.382 40.384 38.487 -0.809 0.000 1.494 182 N HN 0.253 nan 8.380 nan 0.000 0.479 183 R N 1.431 121.813 120.500 -0.197 0.000 2.575 183 R HA 0.462 4.802 4.340 -0.000 0.000 0.293 183 R C -1.332 175.037 176.300 0.114 0.000 0.983 183 R CA -0.517 55.576 56.100 -0.012 0.000 0.887 183 R CB 1.302 31.561 30.300 -0.069 0.000 1.184 183 R HN 0.512 nan 8.270 nan 0.000 0.445 184 L N 2.902 124.250 121.223 0.208 0.000 2.309 184 L HA 0.656 4.996 4.340 -0.000 0.000 0.282 184 L C -0.204 176.757 176.870 0.151 0.000 1.036 184 L CA -0.764 54.200 54.840 0.207 0.000 0.806 184 L CB 1.878 44.078 42.059 0.235 0.000 1.220 184 L HN 0.690 nan 8.230 nan 0.000 0.429 185 A N 3.779 126.693 122.820 0.157 0.000 2.410 185 A HA 0.675 4.995 4.320 -0.000 0.000 0.289 185 A C -0.899 177.001 177.584 0.526 0.000 1.200 185 A CA -0.439 51.633 52.037 0.058 0.000 0.751 185 A CB 1.192 19.623 19.000 -0.947 0.000 1.161 185 A HN 0.377 nan 8.150 nan 0.000 0.459 186 V N 3.315 123.689 119.914 0.767 0.000 2.357 186 V HA 0.480 4.600 4.120 -0.000 0.000 0.284 186 V C 0.121 176.691 176.094 0.793 0.000 1.018 186 V CA -0.320 62.405 62.300 0.709 0.000 0.841 186 V CB 1.250 33.291 31.823 0.364 0.000 0.991 186 V HN 0.946 nan 8.190 nan 0.000 0.437 187 M N 6.281 126.361 119.600 0.799 0.000 2.088 187 M HA 0.602 5.082 4.480 -0.000 0.000 0.346 187 M C -1.438 175.105 176.300 0.404 0.000 1.111 187 M CA -0.273 55.325 55.300 0.496 0.000 1.017 187 M CB 1.237 34.164 32.600 0.545 0.000 1.568 187 M HN 0.470 nan 8.290 nan 0.000 0.445 188 V N 6.721 126.808 119.914 0.287 0.000 2.472 188 V HA 0.528 4.648 4.120 -0.000 0.000 0.290 188 V C -0.183 176.049 176.094 0.229 0.000 1.037 188 V CA -0.769 61.694 62.300 0.272 0.000 0.908 188 V CB 1.630 33.618 31.823 0.274 0.000 0.985 188 V HN 0.836 nan 8.190 nan 0.000 0.454 189 L N 2.806 124.118 121.223 0.149 0.000 2.362 189 L HA 0.672 5.012 4.340 -0.000 0.000 0.271 189 L C 1.049 177.879 176.870 -0.067 0.000 1.002 189 L CA -0.809 54.047 54.840 0.026 0.000 0.818 189 L CB 1.777 43.747 42.059 -0.148 0.000 1.298 189 L HN 0.444 nan 8.230 nan 0.000 0.420 190 R N 1.555 121.910 120.500 -0.240 0.000 2.082 190 R HA 0.004 4.344 4.340 -0.000 0.000 0.228 190 R C -0.211 175.691 176.300 -0.663 0.000 1.140 190 R CA 1.769 57.425 56.100 -0.739 0.000 0.920 190 R CB 0.013 29.536 30.300 -1.294 0.000 0.828 190 R HN 0.628 nan 8.270 nan 0.000 0.430 191 W N 0.364 121.723 121.300 0.098 0.000 2.375 191 W HA 0.298 4.958 4.660 -0.000 0.000 0.336 191 W C 0.142 176.779 176.519 0.197 0.000 1.160 191 W CA -0.693 56.722 57.345 0.117 0.000 1.266 191 W CB 1.062 30.592 29.460 0.116 0.000 1.195 191 W HN 0.140 nan 8.180 nan 0.000 0.599 192 S N -1.172 114.822 115.700 0.490 0.000 2.636 192 S HA 0.160 4.630 4.470 -0.000 0.000 0.268 192 S C 0.018 174.879 174.600 0.435 0.000 1.159 192 S CA -0.489 58.007 58.200 0.492 0.000 0.815 192 S CB 1.130 64.579 63.200 0.416 0.000 1.130 192 S HN 0.632 nan 8.310 nan 0.000 0.471 193 D N 0.799 121.451 120.400 0.419 0.000 2.178 193 D HA 0.036 4.676 4.640 -0.000 0.000 0.201 193 D C 1.897 178.489 176.300 0.485 0.000 0.980 193 D CA 1.306 55.582 54.000 0.460 0.000 0.842 193 D CB -0.837 40.118 40.800 0.257 0.000 0.948 193 D HN 0.733 nan 8.370 nan 0.000 0.472 194 G N 0.199 109.209 108.800 0.350 0.000 2.475 194 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.220 194 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.220 194 G C 1.741 176.818 174.900 0.294 0.000 1.125 194 G CA 1.049 46.327 45.100 0.296 0.000 0.755 194 G HN 0.338 nan 8.290 nan 0.000 0.565 195 S N 0.039 115.908 115.700 0.283 0.000 2.383 195 S HA -0.146 4.324 4.470 -0.000 0.000 0.229 195 S C 1.969 176.682 174.600 0.188 0.000 1.030 195 S CA 1.131 59.468 58.200 0.228 0.000 1.002 195 S CB -0.486 62.852 63.200 0.230 0.000 0.829 195 S HN 0.549 nan 8.310 nan 0.000 0.467 196 Y N 1.261 121.659 120.300 0.163 0.000 2.384 196 Y HA -0.010 4.540 4.550 0.000 0.000 0.289 196 Y C 1.610 177.604 175.900 0.156 0.000 1.152 196 Y CA 0.686 58.804 58.100 0.030 0.000 1.258 196 Y CB -0.287 38.093 38.460 -0.134 0.000 0.979 196 Y HN 0.199 nan 8.280 nan 0.000 0.549 197 L N -0.047 121.364 121.223 0.313 0.000 2.700 197 L HA 0.125 4.465 4.340 -0.000 0.000 0.234 197 L C -0.070 176.938 176.870 0.229 0.000 1.156 197 L CA 0.368 55.349 54.840 0.235 0.000 0.946 197 L CB 0.002 42.195 42.059 0.224 0.000 1.216 197 L HN 0.194 nan 8.230 nan 0.000 0.493 198 E N -0.405 119.949 120.200 0.257 0.000 4.044 198 E HA 0.044 4.394 4.350 -0.000 0.000 0.216 198 E C -0.468 176.248 176.600 0.193 0.000 1.104 198 E CA -0.091 56.444 56.400 0.224 0.000 1.383 198 E CB 0.510 30.336 29.700 0.209 0.000 1.195 198 E HN 0.004 nan 8.360 nan 0.000 0.442 199 D N 1.291 121.770 120.400 0.131 0.000 2.519 199 D HA 0.005 4.645 4.640 -0.000 0.000 0.238 199 D C -0.210 176.082 176.300 -0.013 0.000 1.192 199 D CA -0.042 53.925 54.000 -0.055 0.000 0.835 199 D CB 0.096 40.629 40.800 -0.444 0.000 0.975 199 D HN 0.077 nan 8.370 nan 0.000 0.490 200 Q N 0.561 120.441 119.800 0.133 0.000 2.349 200 Q HA 0.058 4.398 4.340 -0.000 0.000 0.287 200 Q C -0.115 175.978 176.000 0.155 0.000 1.044 200 Q CA 0.244 56.186 55.803 0.232 0.000 0.918 200 Q CB 0.516 29.532 28.738 0.463 0.000 1.242 200 Q HN 0.120 nan 8.270 nan 0.000 0.405 201 D N 3.422 123.926 120.400 0.174 0.000 2.441 201 D HA 0.206 4.846 4.640 -0.000 0.000 0.243 201 D C -0.666 175.752 176.300 0.197 0.000 1.257 201 D CA 0.059 54.121 54.000 0.103 0.000 1.027 201 D CB -0.320 40.521 40.800 0.068 0.000 1.084 201 D HN 0.470 nan 8.370 nan 0.000 0.514 202 M N 0.434 120.110 119.600 0.127 0.000 3.008 202 M HA 0.459 4.939 4.480 -0.000 0.000 0.271 202 M C -1.278 175.112 176.300 0.150 0.000 1.265 202 M CA -1.227 54.111 55.300 0.064 0.000 0.817 202 M CB 1.060 33.630 32.600 -0.049 0.000 1.638 202 M HN -0.035 nan 8.290 nan 0.000 0.479 203 W N 1.990 123.361 121.300 0.118 0.000 2.216 203 W HA 0.377 5.037 4.660 -0.000 0.000 0.326 203 W C 0.126 176.653 176.519 0.014 0.000 1.319 203 W CA -0.212 57.193 57.345 0.099 0.000 1.213 203 W CB 0.532 29.992 29.460 0.001 0.000 1.171 203 W HN 0.274 nan 8.180 nan 0.000 0.557 204 R N 4.970 125.652 120.500 0.303 0.000 2.196 204 R HA 0.425 4.765 4.340 -0.000 0.000 0.340 204 R C -0.130 176.204 176.300 0.057 0.000 1.043 204 R CA -0.185 56.019 56.100 0.172 0.000 0.883 204 R CB 0.249 30.696 30.300 0.245 0.000 1.078 204 R HN 0.581 nan 8.270 nan 0.000 0.462 205 M N 0.268 119.797 119.600 -0.119 0.000 2.708 205 M HA 0.525 5.005 4.480 -0.000 0.000 0.280 205 M C -0.243 175.752 176.300 -0.508 0.000 1.095 205 M CA -0.789 54.322 55.300 -0.315 0.000 0.822 205 M CB 2.186 34.586 32.600 -0.333 0.000 1.698 205 M HN 0.665 nan 8.290 nan 0.000 0.475 206 S N -1.304 113.970 115.700 -0.710 0.000 2.611 206 S HA 0.866 5.336 4.470 -0.000 0.000 0.270 206 S C -0.644 173.514 174.600 -0.735 0.000 1.131 206 S CA -0.306 57.395 58.200 -0.831 0.000 0.826 206 S CB 1.506 64.039 63.200 -1.111 0.000 1.095 206 S HN 1.470 nan 8.310 nan 0.000 0.461 207 G N 0.101 108.678 108.800 -0.370 0.000 2.316 207 G HA2 0.187 4.147 3.960 -0.000 0.000 0.349 207 G HA3 0.187 4.147 3.960 -0.000 0.000 0.349 207 G C -1.559 173.304 174.900 -0.062 0.000 1.274 207 G CA -0.574 44.528 45.100 0.003 0.000 1.018 207 G HN 1.202 nan 8.290 nan 0.000 0.486 208 I N 2.111 122.524 120.570 -0.262 0.000 2.316 208 I HA 0.296 4.466 4.170 -0.000 0.000 0.286 208 I C 1.001 176.988 176.117 -0.217 0.000 1.107 208 I CA -0.310 60.740 61.300 -0.416 0.000 1.219 208 I CB -0.057 37.486 38.000 -0.762 0.000 1.455 208 I HN 0.505 nan 8.210 nan 0.000 0.498 209 F N 3.719 123.526 119.950 -0.238 0.000 2.727 209 F HA 0.458 4.985 4.527 -0.000 0.000 0.302 209 F C 0.661 176.396 175.800 -0.108 0.000 1.097 209 F CA -0.518 57.381 58.000 -0.169 0.000 1.330 209 F CB 0.075 38.976 39.000 -0.166 0.000 1.084 209 F HN 0.133 nan 8.300 nan 0.000 0.578 210 R N 0.718 120.808 120.500 -0.684 0.000 2.867 210 R HA 0.226 4.566 4.340 -0.000 0.000 0.268 210 R C -0.890 175.261 176.300 -0.249 0.000 1.014 210 R CA -1.160 54.685 56.100 -0.425 0.000 0.946 210 R CB 1.064 31.050 30.300 -0.523 0.000 1.208 210 R HN 0.010 nan 8.270 nan 0.000 0.477 211 D N 0.669 120.995 120.400 -0.124 0.000 2.515 211 D HA 0.071 4.711 4.640 -0.000 0.000 0.230 211 D C -0.372 175.878 176.300 -0.083 0.000 1.181 211 D CA 0.534 54.490 54.000 -0.073 0.000 0.875 211 D CB 0.429 41.218 40.800 -0.020 0.000 1.213 211 D HN 0.011 nan 8.370 nan 0.000 0.478 212 V N 0.779 120.663 119.914 -0.050 0.000 2.588 212 V HA 0.639 4.759 4.120 -0.000 0.000 0.304 212 V C -0.239 175.814 176.094 -0.067 0.000 1.042 212 V CA -0.587 61.667 62.300 -0.077 0.000 0.877 212 V CB 1.770 33.614 31.823 0.035 0.000 0.996 212 V HN 0.742 nan 8.190 nan 0.000 0.425 213 S N 4.421 120.033 115.700 -0.147 0.000 2.656 213 S HA 0.825 5.295 4.470 -0.000 0.000 0.273 213 S C -1.231 173.327 174.600 -0.070 0.000 1.168 213 S CA -0.943 57.214 58.200 -0.073 0.000 0.817 213 S CB 1.962 65.145 63.200 -0.028 0.000 1.146 213 S HN 0.474 nan 8.310 nan 0.000 0.475 214 L N 1.323 122.566 121.223 0.034 0.000 2.386 214 L HA 0.680 5.020 4.340 -0.000 0.000 0.271 214 L C -1.637 175.342 176.870 0.182 0.000 0.993 214 L CA -0.798 54.122 54.840 0.134 0.000 0.819 214 L CB 1.833 44.058 42.059 0.277 0.000 1.294 214 L HN 0.593 nan 8.230 nan 0.000 0.414 215 L N 2.469 123.755 121.223 0.105 0.000 2.381 215 L HA 0.479 4.819 4.340 -0.000 0.000 0.274 215 L C -0.957 175.813 176.870 -0.167 0.000 0.988 215 L CA -0.254 54.583 54.840 -0.005 0.000 0.824 215 L CB 1.591 43.651 42.059 0.001 0.000 1.263 215 L HN 0.454 nan 8.230 nan 0.000 0.410 216 H N 4.175 122.921 119.070 -0.539 0.000 2.581 216 H HA 0.554 5.110 4.556 -0.000 0.000 0.308 216 H C -1.114 173.926 175.328 -0.480 0.000 1.040 216 H CA -0.128 55.429 56.048 -0.819 0.000 1.231 216 H CB 0.783 29.472 29.762 -1.788 0.000 1.396 216 H HN 0.577 nan 8.280 nan 0.000 0.467 217 K N 5.597 125.502 120.400 -0.824 0.000 2.375 217 K HA 0.389 4.709 4.320 -0.000 0.000 0.249 217 K C -2.723 173.516 176.600 -0.600 0.000 0.942 217 K CA -2.445 53.497 56.287 -0.574 0.000 0.806 217 K CB 1.837 34.107 32.500 -0.382 0.000 1.227 217 K HN 0.437 nan 8.250 nan 0.000 0.430 218 P HA -0.034 nan 4.420 nan 0.000 0.270 218 P C 0.337 177.499 177.300 -0.229 0.000 1.223 218 P CA -0.031 62.910 63.100 -0.264 0.000 0.785 218 P CB 0.442 32.039 31.700 -0.171 0.000 0.923 219 T N -1.996 112.459 114.554 -0.164 0.000 2.821 219 T HA -0.056 4.294 4.350 -0.000 0.000 0.267 219 T C 0.693 175.312 174.700 -0.134 0.000 1.046 219 T CA 1.313 63.334 62.100 -0.132 0.000 1.139 219 T CB -0.838 67.979 68.868 -0.086 0.000 0.871 219 T HN 0.337 nan 8.240 nan 0.000 0.454 220 T N 3.312 117.785 114.554 -0.134 0.000 2.801 220 T HA 0.480 4.830 4.350 -0.000 0.000 0.306 220 T C -0.346 174.254 174.700 -0.167 0.000 1.020 220 T CA -0.804 61.204 62.100 -0.152 0.000 0.948 220 T CB 0.851 69.634 68.868 -0.142 0.000 0.962 220 T HN 0.614 nan 8.240 nan 0.000 0.465 221 Q N 2.589 122.274 119.800 -0.191 0.000 2.615 221 Q HA 0.590 4.930 4.340 -0.000 0.000 0.298 221 Q C -1.086 174.789 176.000 -0.207 0.000 1.023 221 Q CA -1.193 54.484 55.803 -0.210 0.000 0.768 221 Q CB 1.333 29.912 28.738 -0.265 0.000 1.500 221 Q HN 0.434 nan 8.270 nan 0.000 0.441 222 I N 2.748 123.173 120.570 -0.241 0.000 2.505 222 I HA -0.026 4.144 4.170 -0.000 0.000 0.287 222 I C 0.984 176.901 176.117 -0.334 0.000 1.104 222 I CA 0.165 61.333 61.300 -0.219 0.000 1.387 222 I CB 0.967 38.810 38.000 -0.262 0.000 1.404 222 I HN 0.861 nan 8.210 nan 0.000 0.528 223 S N 3.138 118.754 115.700 -0.140 0.000 2.486 223 S HA 0.114 4.584 4.470 -0.000 0.000 0.220 223 S C 0.232 174.937 174.600 0.176 0.000 1.011 223 S CA -0.097 58.053 58.200 -0.083 0.000 0.921 223 S CB 0.251 63.429 63.200 -0.036 0.000 0.785 223 S HN 0.756 nan 8.310 nan 0.000 0.517 224 D N -0.602 119.952 120.400 0.256 0.000 2.766 224 D HA 0.433 5.073 4.640 -0.000 0.000 0.244 224 D C -1.704 174.787 176.300 0.319 0.000 1.198 224 D CA -0.738 53.495 54.000 0.388 0.000 0.739 224 D CB 0.989 41.919 40.800 0.216 0.000 1.379 224 D HN 0.255 nan 8.370 nan 0.000 0.437 225 F N -0.334 119.623 119.950 0.011 0.000 2.678 225 F HA 0.734 5.261 4.527 -0.000 0.000 0.308 225 F C -1.517 174.227 175.800 -0.094 0.000 1.118 225 F CA -0.800 57.100 58.000 -0.167 0.000 0.959 225 F CB 1.418 40.405 39.000 -0.021 0.000 1.305 225 F HN 0.317 nan 8.300 nan 0.000 0.443 226 H N 0.905 119.976 119.070 0.002 0.000 2.768 226 H HA 0.803 5.359 4.556 -0.000 0.000 0.371 226 H C -1.374 173.937 175.328 -0.029 0.000 1.151 226 H CA -1.533 54.441 56.048 -0.122 0.000 1.165 226 H CB 2.604 32.312 29.762 -0.089 0.000 1.722 226 H HN 0.620 nan 8.280 nan 0.000 0.543 227 V N 1.063 121.019 119.914 0.070 0.000 2.769 227 V HA 0.831 4.951 4.120 -0.000 0.000 0.312 227 V C -0.464 175.607 176.094 -0.038 0.000 1.061 227 V CA -0.643 61.665 62.300 0.013 0.000 0.931 227 V CB 1.624 33.432 31.823 -0.025 0.000 1.010 227 V HN 0.985 nan 8.190 nan 0.000 0.433 228 A N 2.129 124.906 122.820 -0.070 0.000 2.547 228 A HA 0.865 5.185 4.320 -0.000 0.000 0.297 228 A C -0.438 177.057 177.584 -0.149 0.000 1.056 228 A CA -0.431 51.552 52.037 -0.089 0.000 0.688 228 A CB 2.056 21.027 19.000 -0.049 0.000 1.282 228 A HN 0.939 nan 8.150 nan 0.000 0.400 229 T N -0.134 114.321 114.554 -0.165 0.000 2.829 229 T HA 0.810 5.160 4.350 -0.000 0.000 0.280 229 T C -0.365 174.147 174.700 -0.313 0.000 0.999 229 T CA -0.706 61.226 62.100 -0.279 0.000 0.983 229 T CB 1.589 70.254 68.868 -0.339 0.000 0.968 229 T HN 0.704 nan 8.240 nan 0.000 0.446 230 R N 1.385 121.584 120.500 -0.502 0.000 2.750 230 R HA 0.734 5.074 4.340 -0.000 0.000 0.281 230 R C -1.425 174.457 176.300 -0.696 0.000 0.972 230 R CA -0.761 55.108 56.100 -0.386 0.000 0.912 230 R CB 1.529 31.723 30.300 -0.176 0.000 1.187 230 R HN 0.609 nan 8.270 nan 0.000 0.464 231 F N 0.571 120.520 119.950 -0.001 0.000 2.631 231 F HA 0.387 4.914 4.527 -0.000 0.000 0.328 231 F C 0.518 176.207 175.800 -0.184 0.000 1.067 231 F CA -1.112 56.838 58.000 -0.084 0.000 0.969 231 F CB 0.854 39.741 39.000 -0.188 0.000 1.332 231 F HN 0.465 nan 8.300 nan 0.000 0.490 232 N N 0.189 118.893 118.700 0.008 0.000 2.463 232 N HA 0.064 4.804 4.740 -0.000 0.000 0.270 232 N C 0.407 175.781 175.510 -0.227 0.000 1.205 232 N CA -0.159 52.844 53.050 -0.078 0.000 0.974 232 N CB 0.631 39.095 38.487 -0.038 0.000 1.197 232 N HN 0.730 nan 8.380 nan 0.000 0.504 233 D N -0.598 119.702 120.400 -0.167 0.000 2.254 233 D HA -0.272 4.368 4.640 -0.000 0.000 0.201 233 D C 0.374 176.536 176.300 -0.230 0.000 0.998 233 D CA 1.693 55.580 54.000 -0.189 0.000 0.885 233 D CB -0.362 40.394 40.800 -0.073 0.000 0.915 233 D HN 0.751 nan 8.370 nan 0.000 0.460 234 D N -1.948 118.358 120.400 -0.156 0.000 2.469 234 D HA 0.013 4.653 4.640 -0.000 0.000 0.215 234 D C 0.255 176.674 176.300 0.198 0.000 1.154 234 D CA -0.818 53.203 54.000 0.036 0.000 0.832 234 D CB -1.044 39.806 40.800 0.083 0.000 1.008 234 D HN 0.216 nan 8.370 nan 0.000 0.506 235 F N 0.463 120.468 119.950 0.092 0.000 2.988 235 F HA -0.283 4.244 4.527 0.000 0.000 0.287 235 F C 1.649 177.521 175.800 0.120 0.000 0.781 235 F CA 0.721 58.792 58.000 0.120 0.000 1.221 235 F CB -2.472 36.502 39.000 -0.044 0.000 1.392 235 F HN 0.202 nan 8.300 nan 0.000 0.425 236 S N -0.352 115.455 115.700 0.179 0.000 2.528 236 S HA 0.184 4.654 4.470 -0.000 0.000 0.219 236 S C 0.645 175.299 174.600 0.090 0.000 0.985 236 S CA 0.061 58.335 58.200 0.123 0.000 0.914 236 S CB 0.387 63.633 63.200 0.077 0.000 0.776 236 S HN 0.349 nan 8.310 nan 0.000 0.526 237 R N 0.457 121.019 120.500 0.103 0.000 2.566 237 R HA 0.790 5.130 4.340 -0.000 0.000 0.271 237 R C -1.226 175.096 176.300 0.037 0.000 1.071 237 R CA -0.289 55.835 56.100 0.040 0.000 0.915 237 R CB 1.254 31.555 30.300 0.001 0.000 1.228 237 R HN 0.176 nan 8.270 nan 0.000 0.449 238 A N 1.337 124.119 122.820 -0.064 0.000 2.435 238 A HA 0.828 5.148 4.320 -0.000 0.000 0.296 238 A C -1.056 176.434 177.584 -0.156 0.000 1.147 238 A CA -0.789 51.124 52.037 -0.206 0.000 0.775 238 A CB 2.156 21.012 19.000 -0.241 0.000 1.340 238 A HN 0.318 nan 8.150 nan 0.000 0.427 239 V N 1.325 121.119 119.914 -0.200 0.000 2.482 239 V HA 0.374 4.494 4.120 -0.000 0.000 0.295 239 V C -1.080 174.959 176.094 -0.092 0.000 1.026 239 V CA -0.448 61.783 62.300 -0.115 0.000 0.856 239 V CB 1.347 33.104 31.823 -0.110 0.000 1.001 239 V HN 0.801 nan 8.190 nan 0.000 0.424 240 L N 5.319 126.525 121.223 -0.029 0.000 2.276 240 L HA 0.605 4.945 4.340 -0.000 0.000 0.286 240 L C -0.027 176.806 176.870 -0.061 0.000 1.061 240 L CA 0.239 55.047 54.840 -0.052 0.000 0.807 240 L CB 1.037 43.091 42.059 -0.009 0.000 1.177 240 L HN 0.868 nan 8.230 nan 0.000 0.429 241 E N 4.842 125.000 120.200 -0.070 0.000 2.218 241 E HA 0.760 5.110 4.350 -0.000 0.000 0.263 241 E C -1.778 174.808 176.600 -0.024 0.000 0.879 241 E CA -0.817 55.555 56.400 -0.047 0.000 0.762 241 E CB 1.551 31.221 29.700 -0.050 0.000 1.166 241 E HN 0.832 nan 8.360 nan 0.000 0.415 242 A N 4.281 127.093 122.820 -0.014 0.000 2.343 242 A HA 0.472 4.792 4.320 -0.000 0.000 0.316 242 A C -0.890 176.686 177.584 -0.013 0.000 1.104 242 A CA -0.733 51.315 52.037 0.017 0.000 0.768 242 A CB 1.372 20.392 19.000 0.034 0.000 1.213 242 A HN 0.775 nan 8.150 nan 0.000 0.456 243 E N 2.212 122.403 120.200 -0.016 0.000 2.187 243 E HA 0.615 4.965 4.350 -0.000 0.000 0.268 243 E C -1.668 174.860 176.600 -0.120 0.000 0.896 243 E CA -0.528 55.819 56.400 -0.088 0.000 0.766 243 E CB 1.691 31.333 29.700 -0.097 0.000 1.142 243 E HN 0.383 nan 8.360 nan 0.000 0.408 244 V N 3.981 123.830 119.914 -0.108 0.000 2.604 244 V HA 0.357 4.477 4.120 -0.000 0.000 0.305 244 V C -0.574 175.526 176.094 0.011 0.000 1.043 244 V CA -0.827 61.441 62.300 -0.052 0.000 0.888 244 V CB 1.696 33.460 31.823 -0.098 0.000 0.995 244 V HN 0.748 nan 8.190 nan 0.000 0.429 245 Q N 4.167 124.009 119.800 0.069 0.000 2.365 245 Q HA 0.833 5.173 4.340 -0.000 0.000 0.269 245 Q C -0.830 175.255 176.000 0.142 0.000 1.061 245 Q CA -0.823 55.057 55.803 0.128 0.000 0.816 245 Q CB 2.820 31.571 28.738 0.022 0.000 1.325 245 Q HN 0.856 nan 8.270 nan 0.000 0.446 246 M N -0.880 118.782 119.600 0.103 0.000 2.662 246 M HA 0.776 5.256 4.480 -0.000 0.000 0.310 246 M C -1.313 174.895 176.300 -0.153 0.000 1.204 246 M CA -0.505 54.739 55.300 -0.093 0.000 0.891 246 M CB 2.115 34.483 32.600 -0.387 0.000 1.732 246 M HN 0.550 nan 8.290 nan 0.000 0.467 247 C N 1.512 120.710 119.300 -0.170 0.000 2.563 247 C HA 1.017 5.477 4.460 -0.000 0.000 0.314 247 C C 0.558 175.444 174.990 -0.174 0.000 1.199 247 C CA 0.943 59.873 59.018 -0.147 0.000 1.564 247 C CB 0.933 28.602 27.740 -0.117 0.000 2.173 247 C HN 1.305 nan 8.230 nan 0.000 0.485 248 G N 3.174 111.883 108.800 -0.151 0.000 2.265 248 G HA2 0.080 4.040 3.960 -0.000 0.000 0.246 248 G HA3 0.080 4.040 3.960 -0.000 0.000 0.246 248 G C -1.209 173.602 174.900 -0.148 0.000 1.299 248 G CA -0.482 44.530 45.100 -0.146 0.000 1.117 248 G HN 0.744 nan 8.290 nan 0.000 0.485 249 E N 0.444 120.556 120.200 -0.146 0.000 2.044 249 E HA 0.587 4.937 4.350 -0.000 0.000 0.282 249 E C 0.339 176.825 176.600 -0.190 0.000 1.031 249 E CA -0.401 55.921 56.400 -0.131 0.000 0.824 249 E CB 0.603 30.253 29.700 -0.084 0.000 1.076 249 E HN 0.524 nan 8.360 nan 0.000 0.395 250 L N 5.307 126.416 121.223 -0.190 0.000 2.410 250 L HA 0.321 4.661 4.340 -0.000 0.000 0.273 250 L C -0.004 176.747 176.870 -0.198 0.000 1.144 250 L CA 0.115 54.812 54.840 -0.239 0.000 0.863 250 L CB 0.212 42.149 42.059 -0.204 0.000 1.140 250 L HN 0.487 nan 8.230 nan 0.000 0.463 251 R N 2.577 122.903 120.500 -0.291 0.000 2.626 251 R HA 0.141 4.481 4.340 -0.000 0.000 0.274 251 R C -0.070 176.038 176.300 -0.321 0.000 1.031 251 R CA -0.620 55.304 56.100 -0.294 0.000 0.898 251 R CB 1.665 31.605 30.300 -0.599 0.000 1.222 251 R HN 0.685 nan 8.270 nan 0.000 0.455 252 D N 1.385 121.731 120.400 -0.090 0.000 2.384 252 D HA -0.157 4.483 4.640 -0.000 0.000 0.222 252 D C 0.861 177.180 176.300 0.031 0.000 0.976 252 D CA 1.166 55.163 54.000 -0.005 0.000 0.915 252 D CB 0.003 40.846 40.800 0.072 0.000 0.896 252 D HN 0.688 nan 8.370 nan 0.000 0.523 253 Y N -0.599 119.701 120.300 0.001 0.000 2.468 253 Y HA 0.393 4.943 4.550 -0.000 0.000 0.268 253 Y C 0.857 176.753 175.900 -0.006 0.000 1.177 253 Y CA -0.948 57.154 58.100 0.003 0.000 1.265 253 Y CB -0.278 38.185 38.460 0.006 0.000 1.103 253 Y HN -0.236 nan 8.280 nan 0.000 0.522 254 L N 2.931 123.944 121.223 -0.350 0.000 2.397 254 L HA 0.393 4.733 4.340 -0.000 0.000 0.271 254 L C 0.189 176.995 176.870 -0.106 0.000 1.148 254 L CA -0.190 54.509 54.840 -0.235 0.000 0.825 254 L CB 0.626 42.544 42.059 -0.234 0.000 1.117 254 L HN 0.242 nan 8.230 nan 0.000 0.456 255 R N 2.038 122.381 120.500 -0.261 0.000 2.799 255 R HA 0.761 5.101 4.340 -0.000 0.000 0.270 255 R C -1.505 174.488 176.300 -0.511 0.000 1.010 255 R CA -0.839 55.026 56.100 -0.391 0.000 0.916 255 R CB 2.371 32.390 30.300 -0.468 0.000 1.228 255 R HN 0.288 nan 8.270 nan 0.000 0.469 256 V N 0.660 120.374 119.914 -0.335 0.000 2.760 256 V HA 0.518 4.638 4.120 -0.000 0.000 0.309 256 V C -0.612 175.473 176.094 -0.016 0.000 1.077 256 V CA -0.627 61.554 62.300 -0.198 0.000 0.910 256 V CB 2.410 34.040 31.823 -0.322 0.000 1.008 256 V HN 0.783 nan 8.190 nan 0.000 0.424 257 T N 3.436 118.051 114.554 0.102 0.000 2.881 257 T HA 0.672 5.022 4.350 -0.000 0.000 0.290 257 T C -0.852 173.860 174.700 0.019 0.000 1.000 257 T CA -0.491 61.662 62.100 0.089 0.000 0.978 257 T CB 1.864 70.821 68.868 0.147 0.000 0.997 257 T HN 0.370 nan 8.240 nan 0.000 0.443 258 V N 3.296 123.204 119.914 -0.009 0.000 2.531 258 V HA 0.695 4.815 4.120 -0.000 0.000 0.301 258 V C -0.338 175.748 176.094 -0.013 0.000 1.034 258 V CA -0.838 61.453 62.300 -0.015 0.000 0.865 258 V CB 1.810 33.613 31.823 -0.034 0.000 0.995 258 V HN 1.065 nan 8.190 nan 0.000 0.424 259 S N 5.198 120.913 115.700 0.025 0.000 2.526 259 S HA 0.841 5.311 4.470 -0.000 0.000 0.293 259 S C -1.071 173.531 174.600 0.004 0.000 1.092 259 S CA -0.748 57.431 58.200 -0.036 0.000 0.980 259 S CB 2.321 65.545 63.200 0.040 0.000 1.048 259 S HN 0.459 nan 8.310 nan 0.000 0.483 260 L N 2.224 123.338 121.223 -0.183 0.000 2.322 260 L HA 0.746 5.086 4.340 -0.000 0.000 0.281 260 L C -1.808 174.938 176.870 -0.207 0.000 1.014 260 L CA -0.440 54.376 54.840 -0.040 0.000 0.815 260 L CB 0.732 42.782 42.059 -0.015 0.000 1.247 260 L HN 0.880 nan 8.230 nan 0.000 0.421 261 W N 3.085 124.485 121.300 0.166 0.000 2.819 261 W HA 0.560 5.220 4.660 0.000 0.000 0.337 261 W C -0.553 176.098 176.519 0.220 0.000 1.077 261 W CA -0.586 56.851 57.345 0.153 0.000 1.226 261 W CB 1.571 31.073 29.460 0.070 0.000 1.419 261 W HN 0.420 nan 8.180 nan 0.000 0.502 262 Q N 2.422 122.463 119.800 0.402 0.000 2.721 262 Q HA 0.491 4.831 4.340 -0.000 0.000 0.257 262 Q C 0.732 176.815 176.000 0.139 0.000 1.070 262 Q CA 0.638 56.532 55.803 0.152 0.000 0.910 262 Q CB 0.320 29.111 28.738 0.088 0.000 1.163 262 Q HN 0.729 nan 8.270 nan 0.000 0.501 263 G N 2.331 111.206 108.800 0.125 0.000 2.675 263 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.312 263 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.312 263 G C 0.778 175.753 174.900 0.124 0.000 1.186 263 G CA 0.403 45.547 45.100 0.074 0.000 0.965 263 G HN 0.519 nan 8.290 nan 0.000 0.548 264 E N 1.376 121.649 120.200 0.123 0.000 2.230 264 E HA 0.193 4.543 4.350 -0.000 0.000 0.192 264 E C 1.505 178.312 176.600 0.345 0.000 0.987 264 E CA 1.032 57.522 56.400 0.149 0.000 0.841 264 E CB -0.308 29.443 29.700 0.084 0.000 0.783 264 E HN 0.492 nan 8.360 nan 0.000 0.481 265 T N 1.250 115.991 114.554 0.310 0.000 2.856 265 T HA 0.175 4.525 4.350 -0.000 0.000 0.292 265 T C 0.044 174.862 174.700 0.197 0.000 0.980 265 T CA -0.366 61.888 62.100 0.256 0.000 1.091 265 T CB 1.450 70.384 68.868 0.111 0.000 0.936 265 T HN -0.061 nan 8.240 nan 0.000 0.503 266 Q N 2.757 122.402 119.800 -0.260 0.000 2.322 266 Q HA 0.286 4.626 4.340 -0.000 0.000 0.256 266 Q C 0.447 176.178 176.000 -0.449 0.000 0.960 266 Q CA -0.450 54.758 55.803 -0.991 0.000 0.934 266 Q CB 0.923 28.686 28.738 -1.626 0.000 1.200 266 Q HN 0.618 nan 8.270 nan 0.000 0.435 267 V N 1.849 121.558 119.914 -0.341 0.000 2.825 267 V HA 0.379 4.499 4.120 -0.000 0.000 0.246 267 V C 0.507 176.495 176.094 -0.176 0.000 1.068 267 V CA 0.812 63.021 62.300 -0.152 0.000 1.088 267 V CB -0.194 31.626 31.823 -0.004 0.000 0.733 267 V HN 0.718 nan 8.190 nan 0.000 0.468 268 A N -1.115 121.558 122.820 -0.246 0.000 2.594 268 A HA 0.743 5.063 4.320 -0.000 0.000 0.296 268 A C -0.808 176.652 177.584 -0.206 0.000 1.056 268 A CA -0.003 51.922 52.037 -0.187 0.000 0.693 268 A CB 1.661 20.588 19.000 -0.121 0.000 1.278 268 A HN 0.055 nan 8.150 nan 0.000 0.408 269 S N -0.954 114.656 115.700 -0.151 0.000 2.588 269 S HA 0.911 5.381 4.470 -0.000 0.000 0.275 269 S C -0.412 174.142 174.600 -0.077 0.000 1.130 269 S CA 0.128 58.257 58.200 -0.119 0.000 0.855 269 S CB 1.990 65.115 63.200 -0.125 0.000 1.116 269 S HN 2.265 nan 8.310 nan 0.000 0.472 270 G N 1.161 109.928 108.800 -0.055 0.000 2.759 270 G HA2 0.590 4.550 3.960 -0.000 0.000 0.297 270 G HA3 0.590 4.550 3.960 -0.000 0.000 0.297 270 G C -1.517 173.366 174.900 -0.028 0.000 1.434 270 G CA -0.360 44.713 45.100 -0.044 0.000 0.980 270 G HN 0.666 nan 8.290 nan 0.000 0.531 271 T N -0.134 114.407 114.554 -0.021 0.000 2.893 271 T HA 0.904 5.254 4.350 -0.000 0.000 0.293 271 T C -0.197 174.482 174.700 -0.034 0.000 1.027 271 T CA 0.146 62.246 62.100 -0.001 0.000 0.988 271 T CB 1.839 70.738 68.868 0.052 0.000 1.043 271 T HN 1.766 nan 8.240 nan 0.000 0.461 272 A N 3.143 125.920 122.820 -0.072 0.000 2.566 272 A HA 0.904 5.224 4.320 -0.000 0.000 0.290 272 A C -3.243 174.244 177.584 -0.161 0.000 1.071 272 A CA -1.384 50.592 52.037 -0.102 0.000 0.658 272 A CB 1.112 20.042 19.000 -0.117 0.000 1.285 272 A HN 0.533 nan 8.150 nan 0.000 0.427 273 P HA 0.670 nan 4.420 nan 0.000 0.289 273 P C -0.738 176.494 177.300 -0.113 0.000 1.293 273 P CA -0.489 62.563 63.100 -0.080 0.000 0.897 273 P CB 0.514 32.208 31.700 -0.009 0.000 1.166 274 F N 0.611 120.512 119.950 -0.083 0.000 2.535 274 F HA 0.427 4.954 4.527 -0.000 0.000 0.332 274 F C 1.610 177.389 175.800 -0.035 0.000 1.208 274 F CA 1.813 59.776 58.000 -0.062 0.000 1.330 274 F CB -0.266 38.691 39.000 -0.072 0.000 1.167 274 F HN 0.625 nan 8.300 nan 0.000 0.597 275 G N 0.836 109.754 108.800 0.197 0.000 3.438 275 G HA2 0.380 4.340 3.960 -0.000 0.000 0.684 275 G HA3 0.380 4.340 3.960 -0.000 0.000 0.684 275 G C -0.471 174.469 174.900 0.067 0.000 1.192 275 G CA -0.782 44.389 45.100 0.119 0.000 1.013 275 G HN 1.060 nan 8.290 nan 0.000 0.530 276 G N 0.655 109.511 108.800 0.094 0.000 2.537 276 G HA2 0.755 4.715 3.960 -0.000 0.000 0.297 276 G HA3 0.755 4.715 3.960 -0.000 0.000 0.297 276 G C 0.073 175.006 174.900 0.054 0.000 1.310 276 G CA -0.332 44.815 45.100 0.079 0.000 1.027 276 G HN 0.888 nan 8.290 nan 0.000 0.505 277 E N -0.851 119.378 120.200 0.048 0.000 2.345 277 E HA 0.384 4.734 4.350 -0.000 0.000 0.259 277 E C -0.315 176.304 176.600 0.032 0.000 1.117 277 E CA -0.643 55.775 56.400 0.029 0.000 0.913 277 E CB 0.817 30.529 29.700 0.020 0.000 1.057 277 E HN 0.220 nan 8.360 nan 0.000 0.432 278 I N 1.614 122.192 120.570 0.013 0.000 2.710 278 I HA -0.055 4.115 4.170 -0.000 0.000 0.286 278 I C 1.037 177.159 176.117 0.009 0.000 1.181 278 I CA 0.684 61.985 61.300 0.001 0.000 1.430 278 I CB 0.188 38.185 38.000 -0.006 0.000 1.367 278 I HN 0.650 nan 8.210 nan 0.000 0.577 279 I N 0.899 121.468 120.570 -0.003 0.000 4.244 279 I HA 0.426 4.596 4.170 -0.000 0.000 0.318 279 I C -0.176 175.939 176.117 -0.003 0.000 1.282 279 I CA 0.173 61.481 61.300 0.014 0.000 1.276 279 I CB 0.356 38.389 38.000 0.054 0.000 1.183 279 I HN 0.607 nan 8.210 nan 0.000 0.431 280 D N -0.373 120.013 120.400 -0.024 0.000 2.946 280 D HA 0.189 4.829 4.640 -0.000 0.000 0.337 280 D C 0.372 176.655 176.300 -0.027 0.000 1.332 280 D CA -0.460 53.527 54.000 -0.021 0.000 0.935 280 D CB 0.340 41.128 40.800 -0.021 0.000 1.440 280 D HN -0.084 nan 8.370 nan 0.000 0.540 281 E N -0.871 119.315 120.200 -0.023 0.000 2.209 281 E HA -0.080 4.270 4.350 -0.000 0.000 0.196 281 E C 1.520 178.101 176.600 -0.031 0.000 0.993 281 E CA 1.131 57.517 56.400 -0.023 0.000 0.819 281 E CB -0.051 29.639 29.700 -0.017 0.000 0.745 281 E HN 0.252 nan 8.360 nan 0.000 0.477 282 R N -0.413 120.059 120.500 -0.045 0.000 2.300 282 R HA 0.265 4.605 4.340 -0.000 0.000 0.199 282 R C 0.954 177.213 176.300 -0.069 0.000 0.920 282 R CA 0.726 56.792 56.100 -0.056 0.000 1.046 282 R CB 0.768 31.028 30.300 -0.066 0.000 0.984 282 R HN 0.206 nan 8.270 nan 0.000 0.493 283 G N -0.375 108.383 108.800 -0.070 0.000 2.301 283 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.194 283 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.194 283 G C -0.393 174.449 174.900 -0.098 0.000 1.266 283 G CA -0.624 44.434 45.100 -0.070 0.000 1.210 283 G HN 0.426 nan 8.290 nan 0.000 0.524 284 G N -1.828 106.908 108.800 -0.106 0.000 3.251 284 G HA2 0.639 4.599 3.960 -0.000 0.000 0.248 284 G HA3 0.639 4.599 3.960 -0.000 0.000 0.248 284 G C -1.610 173.155 174.900 -0.226 0.000 1.320 284 G CA -0.746 44.283 45.100 -0.117 0.000 0.982 284 G HN 0.735 nan 8.290 nan 0.000 0.575 285 Y N 0.835 121.149 120.300 0.024 0.000 2.404 285 Y HA 0.460 5.010 4.550 -0.000 0.000 0.344 285 Y C 1.368 177.299 175.900 0.052 0.000 0.970 285 Y CA 0.023 58.144 58.100 0.035 0.000 1.180 285 Y CB 1.856 40.343 38.460 0.044 0.000 1.138 285 Y HN 0.534 nan 8.280 nan 0.000 0.510 286 A N 1.829 124.735 122.820 0.142 0.000 1.968 286 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 286 A C 1.324 179.005 177.584 0.162 0.000 1.169 286 A CA 1.468 53.571 52.037 0.111 0.000 0.638 286 A CB -0.241 18.781 19.000 0.036 0.000 0.812 286 A HN 0.788 nan 8.150 nan 0.000 0.446 287 D N -0.599 119.902 120.400 0.168 0.000 2.460 287 D HA 0.168 4.808 4.640 -0.000 0.000 0.229 287 D C 0.388 176.903 176.300 0.358 0.000 1.170 287 D CA -0.073 53.989 54.000 0.104 0.000 0.827 287 D CB -0.084 40.717 40.800 0.003 0.000 0.973 287 D HN 0.399 nan 8.370 nan 0.000 0.496 288 R N -0.996 119.777 120.500 0.454 0.000 2.817 288 R HA 0.762 5.102 4.340 -0.000 0.000 0.268 288 R C -1.595 174.763 176.300 0.097 0.000 1.027 288 R CA -1.181 55.089 56.100 0.284 0.000 0.928 288 R CB 2.869 33.213 30.300 0.073 0.000 1.228 288 R HN -0.014 nan 8.270 nan 0.000 0.469 289 V N 0.118 119.957 119.914 -0.126 0.000 3.077 289 V HA 0.501 4.621 4.120 -0.000 0.000 0.299 289 V C -1.678 174.312 176.094 -0.174 0.000 1.276 289 V CA -0.256 61.906 62.300 -0.230 0.000 0.993 289 V CB 2.755 34.269 31.823 -0.515 0.000 1.076 289 V HN 0.819 nan 8.190 nan 0.000 0.434 290 T N 6.918 121.399 114.554 -0.123 0.000 2.841 290 T HA 0.744 5.094 4.350 -0.000 0.000 0.285 290 T C -1.056 173.594 174.700 -0.084 0.000 0.991 290 T CA -0.270 61.777 62.100 -0.089 0.000 0.966 290 T CB 1.225 70.063 68.868 -0.051 0.000 0.962 290 T HN 0.481 nan 8.240 nan 0.000 0.438 291 L N 2.812 123.989 121.223 -0.077 0.000 2.330 291 L HA 0.656 4.996 4.340 -0.000 0.000 0.271 291 L C 0.383 177.222 176.870 -0.052 0.000 1.013 291 L CA -0.707 54.092 54.840 -0.068 0.000 0.816 291 L CB 1.302 43.317 42.059 -0.074 0.000 1.287 291 L HN 0.396 nan 8.230 nan 0.000 0.435 292 R N 2.737 123.206 120.500 -0.050 0.000 2.435 292 R HA 0.635 4.975 4.340 -0.000 0.000 0.308 292 R C -1.482 174.789 176.300 -0.048 0.000 0.975 292 R CA -0.598 55.473 56.100 -0.048 0.000 0.867 292 R CB 1.359 31.631 30.300 -0.046 0.000 1.171 292 R HN 0.475 nan 8.270 nan 0.000 0.470 293 L N 2.764 123.959 121.223 -0.047 0.000 2.317 293 L HA 0.448 4.788 4.340 -0.000 0.000 0.281 293 L C 0.070 176.910 176.870 -0.050 0.000 1.024 293 L CA -0.914 53.897 54.840 -0.049 0.000 0.810 293 L CB 1.423 43.455 42.059 -0.046 0.000 1.240 293 L HN 0.471 nan 8.230 nan 0.000 0.427 294 N N 2.019 120.684 118.700 -0.059 0.000 2.473 294 N HA 0.481 5.221 4.740 -0.000 0.000 0.291 294 N C -0.985 174.475 175.510 -0.083 0.000 1.083 294 N CA -0.336 52.674 53.050 -0.066 0.000 0.951 294 N CB 2.897 41.349 38.487 -0.059 0.000 1.164 294 N HN 0.208 nan 8.380 nan 0.000 0.480 295 V N 1.862 121.711 119.914 -0.108 0.000 2.525 295 V HA 0.200 4.320 4.120 -0.000 0.000 0.299 295 V C -0.150 175.863 176.094 -0.136 0.000 1.034 295 V CA -0.852 61.352 62.300 -0.159 0.000 0.863 295 V CB 2.152 33.790 31.823 -0.308 0.000 0.999 295 V HN 0.521 nan 8.190 nan 0.000 0.423 296 E N 3.624 123.767 120.200 -0.095 0.000 2.301 296 E HA 0.292 4.642 4.350 -0.000 0.000 0.275 296 E C -0.016 176.553 176.600 -0.050 0.000 1.030 296 E CA -0.351 56.015 56.400 -0.056 0.000 0.852 296 E CB 0.723 30.403 29.700 -0.034 0.000 1.060 296 E HN 0.693 nan 8.360 nan 0.000 0.401 297 N N 1.311 120.002 118.700 -0.015 0.000 2.699 297 N HA -0.131 4.609 4.740 -0.000 0.000 0.256 297 N C -2.353 173.150 175.510 -0.012 0.000 0.993 297 N CA 0.395 53.450 53.050 0.009 0.000 0.759 297 N CB -1.405 37.092 38.487 0.016 0.000 0.906 297 N HN 0.330 nan 8.380 nan 0.000 0.541 298 P HA 0.104 nan 4.420 nan 0.000 0.270 298 P C 0.110 177.414 177.300 0.008 0.000 1.223 298 P CA 0.229 63.210 63.100 -0.199 0.000 0.785 298 P CB 0.707 32.048 31.700 -0.598 0.000 0.923 299 K N 1.401 121.893 120.400 0.154 0.000 2.234 299 K HA 0.367 4.687 4.320 -0.000 0.000 0.277 299 K C -0.155 176.603 176.600 0.264 0.000 1.038 299 K CA -0.313 56.078 56.287 0.173 0.000 0.888 299 K CB 0.191 32.766 32.500 0.125 0.000 1.091 299 K HN 0.368 nan 8.250 nan 0.000 0.467 300 L N 2.714 124.012 121.223 0.126 0.000 2.395 300 L HA 0.346 4.686 4.340 -0.000 0.000 0.269 300 L C -0.067 176.879 176.870 0.127 0.000 1.133 300 L CA -0.725 54.194 54.840 0.132 0.000 0.812 300 L CB 0.498 42.475 42.059 -0.138 0.000 1.125 300 L HN 0.618 nan 8.230 nan 0.000 0.452 301 W N 3.096 124.422 121.300 0.044 0.000 2.381 301 W HA 0.504 5.164 4.660 -0.000 0.000 0.329 301 W C -0.023 176.443 176.519 -0.089 0.000 1.157 301 W CA 0.104 57.456 57.345 0.013 0.000 1.240 301 W CB 1.388 30.905 29.460 0.095 0.000 1.199 301 W HN 0.628 nan 8.180 nan 0.000 0.579 302 S N 2.885 117.888 115.700 -1.162 0.000 2.595 302 S HA 0.561 5.031 4.470 -0.000 0.000 0.270 302 S C 0.028 173.841 174.600 -1.312 0.000 1.145 302 S CA -0.343 57.291 58.200 -0.943 0.000 0.825 302 S CB 0.900 63.814 63.200 -0.476 0.000 1.107 302 S HN 1.145 nan 8.310 nan 0.000 0.461 303 A N 0.803 123.057 122.820 -0.943 0.000 2.019 303 A HA 0.030 4.350 4.320 -0.000 0.000 0.219 303 A C 1.776 179.032 177.584 -0.547 0.000 1.164 303 A CA 1.685 53.151 52.037 -0.952 0.000 0.644 303 A CB -1.028 17.227 19.000 -1.242 0.000 0.805 303 A HN 0.892 nan 8.150 nan 0.000 0.449 304 E N -0.867 119.146 120.200 -0.312 0.000 2.072 304 E HA -0.004 4.346 4.350 -0.000 0.000 0.191 304 E C -0.218 176.223 176.600 -0.265 0.000 0.985 304 E CA 0.825 57.099 56.400 -0.210 0.000 0.801 304 E CB -0.029 29.680 29.700 0.015 0.000 0.750 304 E HN 0.620 nan 8.360 nan 0.000 0.452 305 I N 0.913 121.275 120.570 -0.346 0.000 2.576 305 I HA 0.142 4.312 4.170 -0.000 0.000 0.279 305 I C -2.615 173.221 176.117 -0.469 0.000 1.114 305 I CA -1.887 59.230 61.300 -0.305 0.000 1.076 305 I CB 2.249 40.127 38.000 -0.203 0.000 1.212 305 I HN -0.234 nan 8.210 nan 0.000 0.472 306 P HA 0.076 nan 4.420 nan 0.000 0.231 306 P C -0.496 176.776 177.300 -0.047 0.000 1.756 306 P CA -0.140 62.617 63.100 -0.572 0.000 0.990 306 P CB -0.370 31.225 31.700 -0.175 0.000 1.973 307 N N 1.576 120.265 118.700 -0.018 0.000 2.447 307 N HA 0.104 4.844 4.740 -0.000 0.000 0.263 307 N C 0.105 175.816 175.510 0.336 0.000 1.226 307 N CA 0.442 53.562 53.050 0.116 0.000 0.906 307 N CB 0.745 39.287 38.487 0.092 0.000 1.060 307 N HN 0.256 nan 8.380 nan 0.000 0.468 308 L N 2.196 123.530 121.223 0.185 0.000 2.323 308 L HA 0.527 4.867 4.340 -0.000 0.000 0.265 308 L C -0.843 176.086 176.870 0.099 0.000 1.012 308 L CA -0.872 54.111 54.840 0.240 0.000 0.820 308 L CB 1.213 43.388 42.059 0.193 0.000 1.334 308 L HN 0.408 nan 8.230 nan 0.000 0.427 309 Y N -0.158 120.270 120.300 0.212 0.000 2.605 309 Y HA 0.578 5.128 4.550 -0.000 0.000 0.343 309 Y C -0.361 175.644 175.900 0.175 0.000 1.036 309 Y CA -0.799 57.433 58.100 0.221 0.000 1.065 309 Y CB 2.113 40.759 38.460 0.310 0.000 1.288 309 Y HN 0.377 nan 8.280 nan 0.000 0.481 310 R N 1.135 121.868 120.500 0.387 0.000 2.562 310 R HA 0.876 5.216 4.340 -0.000 0.000 0.298 310 R C -1.535 174.954 176.300 0.316 0.000 0.961 310 R CA -0.679 55.581 56.100 0.266 0.000 0.881 310 R CB 1.207 31.584 30.300 0.129 0.000 1.159 310 R HN 0.798 nan 8.270 nan 0.000 0.450 311 A N 3.541 126.489 122.820 0.214 0.000 2.355 311 A HA 0.617 4.937 4.320 -0.000 0.000 0.317 311 A C -1.199 176.457 177.584 0.120 0.000 1.094 311 A CA -0.655 51.499 52.037 0.196 0.000 0.764 311 A CB 1.602 20.695 19.000 0.156 0.000 1.230 311 A HN 0.447 nan 8.150 nan 0.000 0.448 312 V N 2.020 122.010 119.914 0.126 0.000 2.487 312 V HA 0.516 4.636 4.120 -0.000 0.000 0.298 312 V C -0.437 175.642 176.094 -0.024 0.000 1.028 312 V CA -0.692 61.624 62.300 0.027 0.000 0.860 312 V CB 1.441 33.289 31.823 0.041 0.000 0.991 312 V HN 0.597 nan 8.190 nan 0.000 0.427 313 V N 4.810 124.648 119.914 -0.128 0.000 2.313 313 V HA 0.432 4.552 4.120 -0.000 0.000 0.278 313 V C -0.029 176.010 176.094 -0.093 0.000 1.017 313 V CA -0.483 61.712 62.300 -0.174 0.000 0.823 313 V CB 1.006 32.572 31.823 -0.428 0.000 1.010 313 V HN 1.039 nan 8.190 nan 0.000 0.443 314 E N 5.046 125.243 120.200 -0.006 0.000 2.165 314 E HA 0.565 4.915 4.350 -0.000 0.000 0.266 314 E C -1.065 175.638 176.600 0.172 0.000 0.889 314 E CA -1.055 55.392 56.400 0.079 0.000 0.756 314 E CB 2.710 32.464 29.700 0.091 0.000 1.131 314 E HN 0.406 nan 8.360 nan 0.000 0.411 315 L N 5.450 126.738 121.223 0.110 0.000 2.255 315 L HA 0.285 4.625 4.340 -0.000 0.000 0.289 315 L C -0.695 176.242 176.870 0.112 0.000 1.046 315 L CA 0.058 54.932 54.840 0.056 0.000 0.816 315 L CB -0.232 41.832 42.059 0.009 0.000 1.197 315 L HN 0.699 nan 8.230 nan 0.000 0.427 316 H N 1.168 120.255 119.070 0.028 0.000 2.942 316 H HA 0.611 5.167 4.556 -0.000 0.000 0.316 316 H C -0.912 174.451 175.328 0.059 0.000 1.323 316 H CA -0.328 55.742 56.048 0.038 0.000 1.144 316 H CB 0.886 30.669 29.762 0.034 0.000 1.866 316 H HN 0.462 nan 8.280 nan 0.000 0.545 317 T N -2.854 111.828 114.554 0.213 0.000 2.881 317 T HA 0.534 4.884 4.350 -0.000 0.000 0.278 317 T C 1.465 176.335 174.700 0.284 0.000 0.982 317 T CA -0.172 62.061 62.100 0.221 0.000 0.989 317 T CB 1.387 70.447 68.868 0.319 0.000 1.058 317 T HN 0.777 nan 8.240 nan 0.000 0.529 318 A N 1.034 123.995 122.820 0.235 0.000 1.940 318 A HA -0.104 4.216 4.320 -0.000 0.000 0.219 318 A C 1.855 179.539 177.584 0.166 0.000 1.176 318 A CA 2.093 54.245 52.037 0.191 0.000 0.631 318 A CB -1.425 17.671 19.000 0.159 0.000 0.814 318 A HN 1.046 nan 8.150 nan 0.000 0.446 319 D N -2.458 118.027 120.400 0.141 0.000 2.182 319 D HA 0.206 4.846 4.640 -0.000 0.000 0.201 319 D C 1.263 177.615 176.300 0.086 0.000 0.986 319 D CA 1.485 55.537 54.000 0.088 0.000 0.847 319 D CB -0.260 40.573 40.800 0.054 0.000 0.942 319 D HN 0.805 nan 8.370 nan 0.000 0.467 320 G N -1.476 107.403 108.800 0.132 0.000 2.227 320 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.168 320 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.168 320 G C 0.193 175.129 174.900 0.060 0.000 1.006 320 G CA -0.024 45.115 45.100 0.065 0.000 0.684 320 G HN 0.347 nan 8.290 nan 0.000 0.489 321 T N 1.915 116.538 114.554 0.115 0.000 2.814 321 T HA 0.473 4.823 4.350 -0.000 0.000 0.297 321 T C 0.246 175.033 174.700 0.144 0.000 0.956 321 T CA 0.006 62.167 62.100 0.102 0.000 1.123 321 T CB 1.567 70.492 68.868 0.094 0.000 0.902 321 T HN 0.604 nan 8.240 nan 0.000 0.528 322 L N 4.977 126.259 121.223 0.099 0.000 2.331 322 L HA 0.341 4.681 4.340 -0.000 0.000 0.278 322 L C 0.584 177.512 176.870 0.097 0.000 1.106 322 L CA 0.131 55.042 54.840 0.118 0.000 0.824 322 L CB 0.324 42.422 42.059 0.065 0.000 1.142 322 L HN 0.543 nan 8.230 nan 0.000 0.443 323 I N 3.121 123.748 120.570 0.096 0.000 2.494 323 I HA 0.158 4.328 4.170 -0.000 0.000 0.250 323 I C 0.624 176.754 176.117 0.021 0.000 1.112 323 I CA 0.930 62.256 61.300 0.044 0.000 1.438 323 I CB -0.299 37.709 38.000 0.013 0.000 1.111 323 I HN 0.869 nan 8.210 nan 0.000 0.431 324 E N -0.730 119.488 120.200 0.030 0.000 2.411 324 E HA 0.682 5.032 4.350 -0.000 0.000 0.279 324 E C -1.622 175.004 176.600 0.043 0.000 1.132 324 E CA -1.038 55.376 56.400 0.024 0.000 0.876 324 E CB 0.951 30.627 29.700 -0.040 0.000 1.335 324 E HN -0.071 nan 8.360 nan 0.000 0.436 325 A N 0.916 123.790 122.820 0.090 0.000 2.539 325 A HA 0.754 5.074 4.320 -0.000 0.000 0.296 325 A C -1.272 176.439 177.584 0.212 0.000 1.073 325 A CA -0.695 51.402 52.037 0.100 0.000 0.700 325 A CB 1.972 21.019 19.000 0.079 0.000 1.296 325 A HN 0.495 nan 8.150 nan 0.000 0.405 326 E N -0.532 119.723 120.200 0.091 0.000 2.393 326 E HA 0.783 5.133 4.350 -0.000 0.000 0.273 326 E C -0.624 175.992 176.600 0.027 0.000 0.918 326 E CA -0.472 56.040 56.400 0.187 0.000 0.773 326 E CB 2.487 32.226 29.700 0.065 0.000 1.275 326 E HN 1.190 nan 8.360 nan 0.000 0.451 327 A N 0.176 123.126 122.820 0.217 0.000 2.588 327 A HA 0.862 5.182 4.320 -0.000 0.000 0.290 327 A C -1.158 176.606 177.584 0.299 0.000 1.136 327 A CA -0.323 51.777 52.037 0.105 0.000 0.681 327 A CB 1.110 20.041 19.000 -0.116 0.000 1.282 327 A HN 0.949 nan 8.150 nan 0.000 0.421 328 C N -0.787 118.647 119.300 0.223 0.000 3.303 328 C HA 0.688 5.148 4.460 -0.000 0.000 0.340 328 C C -1.630 173.441 174.990 0.136 0.000 1.274 328 C CA -0.999 58.142 59.018 0.204 0.000 1.234 328 C CB 0.798 28.675 27.740 0.228 0.000 1.532 328 C HN 0.847 nan 8.230 nan 0.000 0.483 329 D N 0.970 121.427 120.400 0.096 0.000 2.302 329 D HA 0.542 5.182 4.640 -0.000 0.000 0.248 329 D C -0.475 175.859 176.300 0.057 0.000 1.094 329 D CA 0.138 54.196 54.000 0.096 0.000 0.897 329 D CB 2.112 42.969 40.800 0.095 0.000 1.200 329 D HN 0.522 nan 8.370 nan 0.000 0.429 330 V N 0.753 120.730 119.914 0.105 0.000 2.656 330 V HA 0.648 4.768 4.120 -0.000 0.000 0.307 330 V C 0.381 176.522 176.094 0.078 0.000 1.051 330 V CA -0.698 61.612 62.300 0.016 0.000 0.893 330 V CB 2.183 33.998 31.823 -0.013 0.000 0.999 330 V HN 0.667 nan 8.190 nan 0.000 0.426 331 G N 2.768 111.503 108.800 -0.108 0.000 2.609 331 G HA2 0.639 4.599 3.960 -0.000 0.000 0.308 331 G HA3 0.639 4.599 3.960 -0.000 0.000 0.308 331 G C -1.257 173.632 174.900 -0.017 0.000 1.369 331 G CA -0.406 44.705 45.100 0.019 0.000 0.958 331 G HN 0.404 nan 8.290 nan 0.000 0.499 332 F N 2.276 122.409 119.950 0.305 0.000 2.413 332 F HA 0.563 5.090 4.527 -0.000 0.000 0.359 332 F C 0.940 176.966 175.800 0.376 0.000 1.122 332 F CA -0.255 57.975 58.000 0.383 0.000 1.160 332 F CB 1.096 40.346 39.000 0.417 0.000 1.146 332 F HN 0.534 nan 8.300 nan 0.000 0.514 333 R N 1.234 122.022 120.500 0.480 0.000 2.664 333 R HA 0.483 4.823 4.340 -0.000 0.000 0.266 333 R C -1.722 174.720 176.300 0.237 0.000 1.046 333 R CA -1.113 55.119 56.100 0.221 0.000 0.885 333 R CB 1.538 31.989 30.300 0.251 0.000 1.254 333 R HN 0.467 nan 8.270 nan 0.000 0.465 334 E N 2.018 122.261 120.200 0.072 0.000 2.199 334 E HA 0.461 4.811 4.350 -0.000 0.000 0.265 334 E C -1.353 175.308 176.600 0.103 0.000 0.882 334 E CA -0.985 55.518 56.400 0.172 0.000 0.759 334 E CB 2.118 31.969 29.700 0.252 0.000 1.148 334 E HN 0.419 nan 8.360 nan 0.000 0.412 335 V N 5.528 125.501 119.914 0.099 0.000 2.384 335 V HA 0.563 4.683 4.120 -0.000 0.000 0.287 335 V C -0.210 175.920 176.094 0.060 0.000 1.020 335 V CA -0.529 61.803 62.300 0.054 0.000 0.850 335 V CB 1.124 32.960 31.823 0.021 0.000 0.987 335 V HN 0.749 nan 8.190 nan 0.000 0.436 336 R N 4.420 124.951 120.500 0.052 0.000 2.680 336 R HA 0.691 5.031 4.340 -0.000 0.000 0.269 336 R C -2.006 174.317 176.300 0.038 0.000 1.026 336 R CA -0.869 55.263 56.100 0.053 0.000 0.889 336 R CB 1.715 32.059 30.300 0.073 0.000 1.241 336 R HN 0.509 nan 8.270 nan 0.000 0.463 337 I N 1.964 122.556 120.570 0.037 0.000 2.312 337 I HA 0.305 4.475 4.170 -0.000 0.000 0.290 337 I C -0.513 175.623 176.117 0.031 0.000 1.008 337 I CA -0.278 61.038 61.300 0.028 0.000 1.226 337 I CB 1.616 39.634 38.000 0.030 0.000 1.371 337 I HN 0.703 nan 8.210 nan 0.000 0.468 338 E N 6.437 126.652 120.200 0.025 0.000 2.263 338 E HA 0.232 4.582 4.350 -0.000 0.000 0.268 338 E C -0.248 176.363 176.600 0.018 0.000 0.884 338 E CA -0.638 55.778 56.400 0.027 0.000 0.766 338 E CB 1.077 30.797 29.700 0.034 0.000 1.196 338 E HN 0.528 nan 8.360 nan 0.000 0.416 339 N N 3.368 122.079 118.700 0.018 0.000 2.727 339 N HA -0.236 4.504 4.740 -0.000 0.000 0.249 339 N C 0.469 175.984 175.510 0.008 0.000 1.048 339 N CA 2.090 55.148 53.050 0.013 0.000 0.714 339 N CB -1.227 37.267 38.487 0.012 0.000 0.959 339 N HN 1.023 nan 8.380 nan 0.000 0.544 340 G N -2.203 106.601 108.800 0.007 0.000 2.176 340 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.253 340 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.253 340 G C -0.072 174.822 174.900 -0.009 0.000 0.979 340 G CA 0.512 45.612 45.100 0.000 0.000 0.641 340 G HN 0.491 nan 8.290 nan 0.000 0.530 341 L N -0.021 121.198 121.223 -0.007 0.000 2.362 341 L HA 0.740 5.080 4.340 -0.000 0.000 0.271 341 L C -0.051 176.809 176.870 -0.016 0.000 1.002 341 L CA -1.351 53.478 54.840 -0.018 0.000 0.818 341 L CB 1.903 43.950 42.059 -0.019 0.000 1.298 341 L HN 0.089 nan 8.230 nan 0.000 0.420 342 L N 3.980 125.182 121.223 -0.035 0.000 2.278 342 L HA 0.502 4.842 4.340 -0.000 0.000 0.287 342 L C -0.914 175.933 176.870 -0.038 0.000 1.072 342 L CA 0.324 55.143 54.840 -0.035 0.000 0.819 342 L CB 0.478 42.504 42.059 -0.056 0.000 1.176 342 L HN 0.389 nan 8.230 nan 0.000 0.435 343 L N 5.941 127.156 121.223 -0.012 0.000 2.342 343 L HA 0.578 4.918 4.340 -0.000 0.000 0.271 343 L C -0.807 176.068 176.870 0.009 0.000 1.008 343 L CA -0.759 54.082 54.840 0.003 0.000 0.818 343 L CB 1.989 44.071 42.059 0.038 0.000 1.296 343 L HN 0.574 nan 8.230 nan 0.000 0.427 344 L N 3.318 124.555 121.223 0.024 0.000 2.372 344 L HA 0.482 4.822 4.340 -0.000 0.000 0.274 344 L C -0.417 176.495 176.870 0.069 0.000 0.988 344 L CA -0.258 54.609 54.840 0.045 0.000 0.833 344 L CB 0.972 43.048 42.059 0.028 0.000 1.236 344 L HN 0.659 nan 8.230 nan 0.000 0.410 345 N N 4.110 122.758 118.700 -0.087 0.000 2.716 345 N HA -0.223 4.517 4.740 -0.000 0.000 0.250 345 N C 0.816 176.124 175.510 -0.338 0.000 1.033 345 N CA 1.404 54.167 53.050 -0.477 0.000 0.727 345 N CB -1.070 37.014 38.487 -0.672 0.000 0.950 345 N HN 1.153 nan 8.380 nan 0.000 0.541 346 G N -2.157 106.666 108.800 0.038 0.000 2.284 346 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.230 346 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.230 346 G C 0.019 174.969 174.900 0.084 0.000 1.021 346 G CA 0.670 45.858 45.100 0.146 0.000 0.619 346 G HN 0.478 nan 8.290 nan 0.000 0.510 347 K N 1.233 121.672 120.400 0.065 0.000 2.139 347 K HA 0.597 4.917 4.320 -0.000 0.000 0.243 347 K C -3.040 173.546 176.600 -0.023 0.000 0.983 347 K CA -2.010 54.271 56.287 -0.011 0.000 0.890 347 K CB 2.210 34.629 32.500 -0.136 0.000 1.090 347 K HN 0.119 nan 8.250 nan 0.000 0.445 348 P HA 0.313 nan 4.420 nan 0.000 0.297 348 P C -0.238 177.004 177.300 -0.097 0.000 1.331 348 P CA -0.375 62.685 63.100 -0.067 0.000 0.803 348 P CB 0.684 32.346 31.700 -0.063 0.000 0.929 349 L N 3.410 124.569 121.223 -0.106 0.000 2.466 349 L HA 0.347 4.687 4.340 -0.000 0.000 0.257 349 L C 0.468 177.258 176.870 -0.132 0.000 1.189 349 L CA -0.615 54.149 54.840 -0.126 0.000 0.813 349 L CB 0.426 42.376 42.059 -0.183 0.000 1.118 349 L HN 0.235 nan 8.230 nan 0.000 0.471 350 L N 3.115 124.274 121.223 -0.108 0.000 2.485 350 L HA 0.398 4.738 4.340 -0.000 0.000 0.260 350 L C -0.605 176.211 176.870 -0.090 0.000 0.998 350 L CA -0.270 54.493 54.840 -0.128 0.000 0.883 350 L CB 0.866 42.881 42.059 -0.074 0.000 1.196 350 L HN 0.213 nan 8.230 nan 0.000 0.443 351 I N 4.317 124.768 120.570 -0.199 0.000 2.505 351 I HA 0.147 4.317 4.170 -0.000 0.000 0.287 351 I C 0.646 176.694 176.117 -0.115 0.000 1.104 351 I CA 0.315 61.501 61.300 -0.190 0.000 1.387 351 I CB 0.286 38.048 38.000 -0.397 0.000 1.404 351 I HN 0.532 nan 8.210 nan 0.000 0.528 352 R N 4.789 125.302 120.500 0.022 0.000 2.937 352 R HA 0.466 4.806 4.340 -0.000 0.000 0.264 352 R C 0.536 176.913 176.300 0.129 0.000 1.334 352 R CA -0.265 55.881 56.100 0.078 0.000 1.516 352 R CB 0.816 31.031 30.300 -0.142 0.000 1.187 352 R HN 0.782 nan 8.270 nan 0.000 0.609 353 G N 0.018 108.842 108.800 0.042 0.000 2.552 353 G HA2 0.628 4.588 3.960 -0.000 0.000 0.324 353 G HA3 0.628 4.588 3.960 -0.000 0.000 0.324 353 G C -1.278 173.926 174.900 0.507 0.000 1.217 353 G CA -0.508 44.645 45.100 0.088 0.000 0.989 353 G HN 0.228 nan 8.290 nan 0.000 0.490 354 V N -0.238 120.012 119.914 0.560 0.000 3.048 354 V HA 0.483 4.603 4.120 -0.000 0.000 0.303 354 V C -1.313 174.940 176.094 0.265 0.000 1.214 354 V CA -1.192 61.319 62.300 0.352 0.000 0.984 354 V CB 2.290 34.071 31.823 -0.070 0.000 1.054 354 V HN 0.774 nan 8.190 nan 0.000 0.430 355 N N 3.877 122.638 118.700 0.101 0.000 2.498 355 N HA 0.553 5.293 4.740 -0.000 0.000 0.287 355 N C -0.831 174.491 175.510 -0.313 0.000 1.097 355 N CA -0.439 52.538 53.050 -0.123 0.000 0.973 355 N CB 1.800 40.222 38.487 -0.108 0.000 1.153 355 N HN 0.686 nan 8.380 nan 0.000 0.472 356 R N 1.589 121.863 120.500 -0.377 0.000 2.522 356 R HA 0.247 4.587 4.340 -0.000 0.000 0.283 356 R C -1.197 174.866 176.300 -0.395 0.000 1.074 356 R CA -0.553 55.347 56.100 -0.334 0.000 0.925 356 R CB 1.019 31.128 30.300 -0.318 0.000 1.205 356 R HN 0.579 nan 8.270 nan 0.000 0.436 357 H N 2.002 120.943 119.070 -0.215 0.000 2.495 357 H HA 0.186 4.742 4.556 0.000 0.000 0.350 357 H C -0.533 174.795 175.328 0.000 0.000 1.202 357 H CA -0.217 55.786 56.048 -0.074 0.000 1.322 357 H CB 1.644 31.415 29.762 0.014 0.000 1.544 357 H HN 0.567 nan 8.280 nan 0.000 0.565 358 E N 1.632 122.027 120.200 0.324 0.000 1.963 358 E HA 0.112 4.462 4.350 -0.000 0.000 0.274 358 E C -0.773 175.965 176.600 0.228 0.000 1.061 358 E CA -0.033 56.469 56.400 0.171 0.000 0.847 358 E CB 0.224 30.023 29.700 0.165 0.000 1.083 358 E HN 0.390 nan 8.360 nan 0.000 0.402 359 H N 1.563 120.682 119.070 0.082 0.000 2.947 359 H HA 0.235 4.791 4.556 -0.000 0.000 0.354 359 H C -1.661 173.704 175.328 0.060 0.000 1.085 359 H CA -0.693 55.397 56.048 0.069 0.000 1.253 359 H CB 1.080 30.876 29.762 0.058 0.000 1.757 359 H HN 0.367 nan 8.280 nan 0.000 0.523 360 H N 6.505 125.202 119.070 -0.623 0.000 2.744 360 H HA 0.202 4.758 4.556 -0.000 0.000 0.339 360 H C -2.223 172.661 175.328 -0.741 0.000 1.004 360 H CA -2.453 53.288 56.048 -0.511 0.000 1.257 360 H CB 2.494 32.090 29.762 -0.277 0.000 1.552 360 H HN 0.563 nan 8.280 nan 0.000 0.522 361 P HA -0.135 nan 4.420 nan 0.000 0.218 361 P C 1.207 178.378 177.300 -0.215 0.000 1.146 361 P CA 1.011 63.892 63.100 -0.365 0.000 0.813 361 P CB 0.749 32.264 31.700 -0.309 0.000 0.778 362 L N -2.126 119.107 121.223 0.018 0.000 2.349 362 L HA 0.105 4.445 4.340 -0.000 0.000 0.200 362 L C 2.463 179.271 176.870 -0.103 0.000 1.064 362 L CA 0.615 55.416 54.840 -0.065 0.000 0.821 362 L CB -0.756 41.157 42.059 -0.243 0.000 1.027 362 L HN -0.008 nan 8.230 nan 0.000 0.476 363 H N -0.311 118.728 119.070 -0.051 0.000 2.551 363 H HA 0.186 4.742 4.556 -0.000 0.000 0.266 363 H C 1.460 176.670 175.328 -0.197 0.000 0.977 363 H CA 0.132 56.033 56.048 -0.246 0.000 1.163 363 H CB 0.307 29.800 29.762 -0.448 0.000 1.381 363 H HN 0.446 nan 8.280 nan 0.000 0.581 364 G N 1.436 110.156 108.800 -0.133 0.000 2.523 364 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.271 364 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.271 364 G C 0.497 175.311 174.900 -0.144 0.000 1.146 364 G CA 0.242 45.208 45.100 -0.223 0.000 0.961 364 G HN 0.453 nan 8.290 nan 0.000 0.549 365 Q N 0.118 119.843 119.800 -0.125 0.000 2.247 365 Q HA 0.447 4.787 4.340 -0.000 0.000 0.205 365 Q C 0.297 176.331 176.000 0.057 0.000 0.896 365 Q CA -0.044 55.714 55.803 -0.075 0.000 0.950 365 Q CB 0.764 29.351 28.738 -0.252 0.000 1.054 365 Q HN 0.384 nan 8.270 nan 0.000 0.482 366 V N 1.825 121.776 119.914 0.062 0.000 2.432 366 V HA 0.234 4.354 4.120 -0.000 0.000 0.275 366 V C 0.140 176.272 176.094 0.063 0.000 1.043 366 V CA -0.205 62.153 62.300 0.096 0.000 0.925 366 V CB 1.037 32.871 31.823 0.019 0.000 0.985 366 V HN 0.325 nan 8.190 nan 0.000 0.466 367 M N 4.413 124.045 119.600 0.053 0.000 2.528 367 M HA 0.580 5.060 4.480 -0.000 0.000 0.318 367 M C -0.563 175.681 176.300 -0.095 0.000 1.195 367 M CA -0.546 54.743 55.300 -0.018 0.000 1.000 367 M CB 1.651 34.207 32.600 -0.073 0.000 1.615 367 M HN 0.965 nan 8.290 nan 0.000 0.469 368 D N -2.121 118.237 120.400 -0.070 0.000 2.655 368 D HA 0.235 4.875 4.640 -0.000 0.000 0.229 368 D C 0.249 176.541 176.300 -0.014 0.000 1.229 368 D CA -0.701 53.261 54.000 -0.063 0.000 0.807 368 D CB 1.422 42.220 40.800 -0.004 0.000 1.514 368 D HN 0.674 nan 8.370 nan 0.000 0.444 369 E N 0.317 120.518 120.200 0.001 0.000 2.082 369 E HA -0.431 3.919 4.350 -0.000 0.000 0.215 369 E C 1.590 178.244 176.600 0.090 0.000 1.048 369 E CA 2.174 58.612 56.400 0.063 0.000 0.869 369 E CB 0.025 29.774 29.700 0.083 0.000 0.773 369 E HN 0.581 nan 8.360 nan 0.000 0.466 370 Q N -0.654 119.197 119.800 0.085 0.000 2.047 370 Q HA -0.233 4.107 4.340 -0.000 0.000 0.211 370 Q C 2.365 178.429 176.000 0.107 0.000 1.005 370 Q CA 2.703 58.563 55.803 0.095 0.000 0.866 370 Q CB -0.434 28.361 28.738 0.095 0.000 0.938 370 Q HN 0.436 nan 8.270 nan 0.000 0.414 371 T N 1.188 115.813 114.554 0.118 0.000 2.622 371 T HA -0.215 4.135 4.350 -0.000 0.000 0.266 371 T C 1.950 176.733 174.700 0.139 0.000 1.047 371 T CA 1.776 63.956 62.100 0.134 0.000 1.159 371 T CB -0.319 68.642 68.868 0.155 0.000 0.863 371 T HN 0.277 nan 8.240 nan 0.000 0.422 372 M N 0.652 120.339 119.600 0.145 0.000 2.151 372 M HA -0.182 4.298 4.480 -0.000 0.000 0.256 372 M C 2.495 178.923 176.300 0.215 0.000 1.072 372 M CA 1.717 57.173 55.300 0.259 0.000 1.090 372 M CB -1.013 31.770 32.600 0.305 0.000 1.294 372 M HN 0.116 nan 8.290 nan 0.000 0.415 373 V N -0.099 119.889 119.914 0.123 0.000 2.392 373 V HA -0.312 3.808 4.120 -0.000 0.000 0.249 373 V C 2.301 178.396 176.094 0.000 0.000 1.059 373 V CA 2.035 64.341 62.300 0.010 0.000 1.051 373 V CB -0.966 30.881 31.823 0.041 0.000 0.658 373 V HN 0.545 nan 8.190 nan 0.000 0.455 374 Q N -0.268 119.576 119.800 0.074 0.000 2.045 374 Q HA -0.283 4.057 4.340 -0.000 0.000 0.206 374 Q C 2.137 178.214 176.000 0.128 0.000 0.991 374 Q CA 2.268 58.128 55.803 0.095 0.000 0.851 374 Q CB -0.184 28.626 28.738 0.121 0.000 0.911 374 Q HN 0.644 nan 8.270 nan 0.000 0.418 375 D N 0.242 120.745 120.400 0.172 0.000 2.106 375 D HA -0.197 4.443 4.640 -0.000 0.000 0.191 375 D C 1.902 178.183 176.300 -0.031 0.000 0.997 375 D CA 1.279 55.389 54.000 0.183 0.000 0.834 375 D CB -0.375 40.516 40.800 0.152 0.000 0.956 375 D HN 0.330 nan 8.370 nan 0.000 0.448 376 I N 0.604 121.135 120.570 -0.066 0.000 2.118 376 I HA -0.281 3.889 4.170 -0.000 0.000 0.241 376 I C 2.527 178.523 176.117 -0.202 0.000 1.070 376 I CA 0.874 62.034 61.300 -0.234 0.000 1.327 376 I CB -0.362 37.394 38.000 -0.408 0.000 1.034 376 I HN 0.024 nan 8.210 nan 0.000 0.405 377 L N 0.211 121.346 121.223 -0.147 0.000 2.042 377 L HA -0.253 4.087 4.340 -0.000 0.000 0.210 377 L C 2.624 179.558 176.870 0.107 0.000 1.076 377 L CA 1.370 56.205 54.840 -0.008 0.000 0.749 377 L CB -0.601 41.473 42.059 0.026 0.000 0.893 377 L HN 0.298 nan 8.230 nan 0.000 0.432 378 L N -0.928 120.383 121.223 0.146 0.000 1.989 378 L HA -0.278 4.062 4.340 -0.000 0.000 0.211 378 L C 2.760 179.788 176.870 0.264 0.000 1.071 378 L CA 1.602 56.607 54.840 0.275 0.000 0.749 378 L CB -0.407 41.940 42.059 0.481 0.000 0.890 378 L HN 0.325 nan 8.230 nan 0.000 0.431 379 M N -0.560 119.057 119.600 0.028 0.000 2.082 379 M HA -0.280 4.200 4.480 -0.000 0.000 0.258 379 M C 2.326 178.698 176.300 0.121 0.000 1.071 379 M CA 1.882 57.130 55.300 -0.087 0.000 1.103 379 M CB -0.556 31.780 32.600 -0.439 0.000 1.307 379 M HN 0.129 nan 8.290 nan 0.000 0.409 380 K N 0.240 120.612 120.400 -0.046 0.000 2.074 380 K HA -0.221 4.099 4.320 -0.000 0.000 0.209 380 K C 1.940 178.520 176.600 -0.034 0.000 1.048 380 K CA 1.652 57.807 56.287 -0.221 0.000 0.926 380 K CB -0.346 31.821 32.500 -0.556 0.000 0.713 380 K HN 0.536 nan 8.250 nan 0.000 0.444 381 Q N 0.172 120.116 119.800 0.240 0.000 2.291 381 Q HA -0.051 4.289 4.340 -0.000 0.000 0.205 381 Q C 0.860 177.146 176.000 0.476 0.000 0.970 381 Q CA 0.737 56.802 55.803 0.437 0.000 0.876 381 Q CB 0.065 29.029 28.738 0.376 0.000 0.935 381 Q HN 0.304 nan 8.270 nan 0.000 0.455 382 N N 0.844 119.793 118.700 0.415 0.000 2.320 382 N HA 0.053 4.793 4.740 -0.000 0.000 0.237 382 N C -0.687 174.971 175.510 0.246 0.000 1.129 382 N CA -0.010 53.286 53.050 0.411 0.000 0.854 382 N CB 0.619 39.417 38.487 0.517 0.000 1.083 382 N HN 0.166 nan 8.380 nan 0.000 0.504 383 N N 0.192 119.021 118.700 0.216 0.000 2.776 383 N HA -0.178 4.562 4.740 -0.000 0.000 0.249 383 N C -0.881 174.542 175.510 -0.144 0.000 1.111 383 N CA 0.840 53.929 53.050 0.064 0.000 0.711 383 N CB -1.771 36.636 38.487 -0.132 0.000 1.065 383 N HN 0.260 nan 8.380 nan 0.000 0.556 384 F N 0.985 120.949 119.950 0.024 0.000 2.399 384 F HA 0.387 4.914 4.527 -0.000 0.000 0.328 384 F C 1.752 177.547 175.800 -0.008 0.000 1.084 384 F CA -0.567 57.434 58.000 0.001 0.000 1.053 384 F CB 0.920 39.897 39.000 -0.038 0.000 1.209 384 F HN 0.048 nan 8.300 nan 0.000 0.502 385 N N 0.288 119.113 118.700 0.208 0.000 2.118 385 N HA 0.435 5.175 4.740 -0.000 0.000 0.226 385 N C -0.886 174.692 175.510 0.113 0.000 1.305 385 N CA 0.032 53.139 53.050 0.095 0.000 0.890 385 N CB 0.742 39.327 38.487 0.164 0.000 1.118 385 N HN 0.485 nan 8.380 nan 0.000 0.511 386 A N -0.437 122.513 122.820 0.216 0.000 2.606 386 A HA 0.784 5.104 4.320 -0.000 0.000 0.293 386 A C -1.708 176.102 177.584 0.375 0.000 1.082 386 A CA -0.595 51.628 52.037 0.309 0.000 0.685 386 A CB 1.727 20.958 19.000 0.385 0.000 1.284 386 A HN 0.376 nan 8.150 nan 0.000 0.408 387 V N 0.688 120.857 119.914 0.426 0.000 3.012 387 V HA 0.836 4.956 4.120 -0.000 0.000 0.307 387 V C -0.933 175.268 176.094 0.178 0.000 1.166 387 V CA -0.730 61.772 62.300 0.336 0.000 0.974 387 V CB 1.993 33.910 31.823 0.156 0.000 1.040 387 V HN 1.181 nan 8.190 nan 0.000 0.428 388 R N 4.487 124.937 120.500 -0.083 0.000 2.387 388 R HA 0.510 4.850 4.340 -0.000 0.000 0.314 388 R C -0.830 175.319 176.300 -0.251 0.000 0.958 388 R CA -0.484 55.410 56.100 -0.344 0.000 0.846 388 R CB 1.222 31.056 30.300 -0.776 0.000 1.147 388 R HN 0.859 nan 8.270 nan 0.000 0.447 389 C N 4.279 123.461 119.300 -0.197 0.000 3.183 389 C HA 0.105 4.565 4.460 -0.000 0.000 0.545 389 C C 0.551 175.244 174.990 -0.495 0.000 1.044 389 C CA -0.467 58.382 59.018 -0.283 0.000 1.117 389 C CB -2.141 25.541 27.740 -0.097 0.000 1.393 389 C HN 0.689 nan 8.230 nan 0.000 0.611 390 S N 1.491 116.771 115.700 -0.700 0.000 2.465 390 S HA 0.187 4.657 4.470 -0.000 0.000 0.280 390 S C -0.114 173.558 174.600 -1.547 0.000 1.232 390 S CA 0.108 57.592 58.200 -1.194 0.000 1.066 390 S CB 0.099 62.532 63.200 -1.278 0.000 0.929 390 S HN 0.739 nan 8.310 nan 0.000 0.494 391 H N 3.431 121.852 119.070 -1.082 0.000 2.597 391 H HA 0.297 4.853 4.556 -0.000 0.000 0.225 391 H C -1.191 173.994 175.328 -0.238 0.000 1.422 391 H CA -0.359 55.447 56.048 -0.403 0.000 1.335 391 H CB -0.099 29.636 29.762 -0.046 0.000 1.783 391 H HN 0.890 nan 8.280 nan 0.000 0.513 392 Y N -2.698 117.702 120.300 0.167 0.000 2.774 392 Y HA 0.438 4.988 4.550 -0.000 0.000 0.346 392 Y C -3.305 172.695 175.900 0.166 0.000 1.222 392 Y CA -3.040 55.165 58.100 0.175 0.000 1.088 392 Y CB 0.009 38.576 38.460 0.179 0.000 1.354 392 Y HN -0.109 nan 8.280 nan 0.000 0.455 393 P HA 0.221 nan 4.420 nan 0.000 0.271 393 P C -0.756 176.837 177.300 0.488 0.000 1.218 393 P CA 0.054 63.413 63.100 0.431 0.000 0.780 393 P CB 0.678 32.568 31.700 0.316 0.000 0.901 394 N N 0.157 119.158 118.700 0.501 0.000 2.491 394 N HA 0.110 4.850 4.740 -0.000 0.000 0.279 394 N C 0.005 175.765 175.510 0.416 0.000 1.236 394 N CA -0.624 52.622 53.050 0.326 0.000 0.982 394 N CB 0.386 38.815 38.487 -0.098 0.000 1.194 394 N HN 0.585 nan 8.380 nan 0.000 0.582 395 H N 2.209 121.390 119.070 0.184 0.000 3.046 395 H HA 0.027 4.583 4.556 -0.000 0.000 0.303 395 H C -1.717 173.815 175.328 0.340 0.000 1.002 395 H CA -1.121 55.045 56.048 0.197 0.000 1.460 395 H CB 0.911 30.740 29.762 0.112 0.000 1.493 395 H HN 0.419 nan 8.280 nan 0.000 0.559 396 P HA -0.282 nan 4.420 nan 0.000 0.219 396 P C 1.881 179.497 177.300 0.525 0.000 1.158 396 P CA 1.021 64.339 63.100 0.364 0.000 0.895 396 P CB 0.154 31.871 31.700 0.028 0.000 0.792 397 L N -1.177 120.423 121.223 0.629 0.000 2.081 397 L HA -0.139 4.201 4.340 -0.000 0.000 0.212 397 L C 2.414 179.533 176.870 0.415 0.000 1.080 397 L CA 1.669 56.820 54.840 0.518 0.000 0.754 397 L CB -1.430 40.939 42.059 0.516 0.000 0.893 397 L HN 0.086 nan 8.230 nan 0.000 0.433 398 W N -0.283 121.125 121.300 0.179 0.000 2.290 398 W HA -0.408 4.252 4.660 0.000 0.000 0.328 398 W C 2.313 178.745 176.519 -0.146 0.000 1.272 398 W CA 2.269 59.567 57.345 -0.077 0.000 1.262 398 W CB -0.593 28.680 29.460 -0.312 0.000 1.151 398 W HN 0.285 nan 8.180 nan 0.000 0.473 399 Y N 0.711 120.988 120.300 -0.037 0.000 2.193 399 Y HA -0.283 4.267 4.550 -0.000 0.000 0.285 399 Y C 2.834 178.513 175.900 -0.368 0.000 1.166 399 Y CA 2.253 60.087 58.100 -0.444 0.000 1.181 399 Y CB -1.469 36.431 38.460 -0.934 0.000 0.976 399 Y HN -0.144 nan 8.280 nan 0.000 0.520 400 T N 0.570 115.163 114.554 0.064 0.000 2.708 400 T HA -0.147 4.203 4.350 -0.000 0.000 0.266 400 T C 2.040 176.775 174.700 0.059 0.000 1.037 400 T CA 1.380 63.570 62.100 0.150 0.000 1.146 400 T CB -0.571 68.434 68.868 0.228 0.000 0.865 400 T HN 0.231 nan 8.240 nan 0.000 0.435 401 L N 0.460 121.696 121.223 0.022 0.000 2.042 401 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 401 L C 2.908 179.778 176.870 -0.000 0.000 1.076 401 L CA 1.069 55.945 54.840 0.060 0.000 0.749 401 L CB -0.776 41.299 42.059 0.026 0.000 0.893 401 L HN 0.388 nan 8.230 nan 0.000 0.432 402 C N -0.342 118.787 119.300 -0.284 0.000 2.425 402 C HA -0.152 4.308 4.460 -0.000 0.000 0.277 402 C C 2.447 177.450 174.990 0.022 0.000 1.280 402 C CA 0.390 59.254 59.018 -0.258 0.000 1.744 402 C CB -0.829 26.630 27.740 -0.468 0.000 1.989 402 C HN 0.546 nan 8.230 nan 0.000 0.491 403 D N 0.419 120.833 120.400 0.024 0.000 2.123 403 D HA -0.118 4.522 4.640 -0.000 0.000 0.196 403 D C 2.352 178.804 176.300 0.253 0.000 0.992 403 D CA 1.316 55.393 54.000 0.129 0.000 0.833 403 D CB -0.323 40.525 40.800 0.079 0.000 0.954 403 D HN 0.469 nan 8.370 nan 0.000 0.455 404 R N -0.853 119.703 120.500 0.093 0.000 2.075 404 R HA -0.019 4.321 4.340 -0.000 0.000 0.226 404 R C 2.319 178.531 176.300 -0.147 0.000 1.114 404 R CA 0.752 56.831 56.100 -0.036 0.000 0.972 404 R CB -0.333 29.856 30.300 -0.186 0.000 0.869 404 R HN 0.280 nan 8.270 nan 0.000 0.437 405 Y N -0.782 119.526 120.300 0.013 0.000 2.337 405 Y HA 0.129 4.679 4.550 -0.000 0.000 0.293 405 Y C 0.954 176.780 175.900 -0.123 0.000 1.123 405 Y CA 0.931 59.008 58.100 -0.039 0.000 1.201 405 Y CB 0.569 38.974 38.460 -0.092 0.000 1.011 405 Y HN 0.260 nan 8.280 nan 0.000 0.545 406 G N 1.045 109.864 108.800 0.033 0.000 2.943 406 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.250 406 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.250 406 G C -1.160 173.568 174.900 -0.286 0.000 0.996 406 G CA -0.631 44.349 45.100 -0.200 0.000 1.248 406 G HN 0.122 nan 8.290 nan 0.000 0.589 407 L N 0.958 122.080 121.223 -0.168 0.000 2.464 407 L HA 0.468 4.808 4.340 -0.000 0.000 0.266 407 L C -0.057 176.757 176.870 -0.093 0.000 0.965 407 L CA -1.221 53.477 54.840 -0.238 0.000 0.833 407 L CB 2.043 43.987 42.059 -0.192 0.000 1.296 407 L HN 0.437 nan 8.230 nan 0.000 0.405 408 Y N 2.063 122.461 120.300 0.164 0.000 2.359 408 Y HA 0.380 4.930 4.550 -0.000 0.000 0.330 408 Y C 0.308 176.306 175.900 0.164 0.000 1.143 408 Y CA -0.568 57.655 58.100 0.206 0.000 1.318 408 Y CB 1.272 39.846 38.460 0.190 0.000 1.234 408 Y HN 0.163 nan 8.280 nan 0.000 0.522 409 V N 3.723 123.803 119.914 0.278 0.000 2.735 409 V HA 0.385 4.505 4.120 -0.000 0.000 0.310 409 V C -0.737 175.423 176.094 0.110 0.000 1.061 409 V CA -1.046 61.358 62.300 0.174 0.000 0.913 409 V CB 2.105 33.987 31.823 0.099 0.000 1.005 409 V HN 0.454 nan 8.190 nan 0.000 0.428 410 V N 2.595 122.552 119.914 0.072 0.000 2.328 410 V HA 0.352 4.472 4.120 -0.000 0.000 0.278 410 V C -0.399 175.725 176.094 0.049 0.000 1.021 410 V CA -0.449 61.853 62.300 0.003 0.000 0.838 410 V CB 1.408 33.159 31.823 -0.120 0.000 0.999 410 V HN 0.869 nan 8.190 nan 0.000 0.447 411 D N 4.051 124.508 120.400 0.095 0.000 2.312 411 D HA 0.295 4.935 4.640 -0.000 0.000 0.252 411 D C -0.182 176.289 176.300 0.285 0.000 1.150 411 D CA 0.091 54.242 54.000 0.251 0.000 0.870 411 D CB 1.212 42.201 40.800 0.316 0.000 1.153 411 D HN 0.709 nan 8.370 nan 0.000 0.457 412 E N 1.827 122.170 120.200 0.238 0.000 2.234 412 E HA 0.607 4.957 4.350 -0.000 0.000 0.266 412 E C -1.116 175.619 176.600 0.225 0.000 0.877 412 E CA -1.074 55.455 56.400 0.215 0.000 0.758 412 E CB 1.387 31.169 29.700 0.135 0.000 1.170 412 E HN 0.452 nan 8.360 nan 0.000 0.415 413 A N 3.734 126.682 122.820 0.214 0.000 2.445 413 A HA 0.071 4.391 4.320 -0.000 0.000 0.242 413 A C 0.352 178.058 177.584 0.203 0.000 1.075 413 A CA -0.270 51.876 52.037 0.181 0.000 0.777 413 A CB 0.178 19.253 19.000 0.124 0.000 1.013 413 A HN 0.685 nan 8.150 nan 0.000 0.493 414 N N 1.457 120.285 118.700 0.213 0.000 2.971 414 N HA 0.202 4.942 4.740 -0.000 0.000 0.294 414 N C -0.947 174.685 175.510 0.203 0.000 1.210 414 N CA 0.239 53.443 53.050 0.257 0.000 1.157 414 N CB -0.877 37.769 38.487 0.265 0.000 1.450 414 N HN 0.472 nan 8.380 nan 0.000 0.527 415 I N 0.748 121.432 120.570 0.189 0.000 2.529 415 I HA 0.263 4.433 4.170 -0.000 0.000 0.284 415 I C -0.586 175.617 176.117 0.144 0.000 1.088 415 I CA -0.660 60.732 61.300 0.153 0.000 1.062 415 I CB 1.872 39.937 38.000 0.108 0.000 1.218 415 I HN 0.210 nan 8.210 nan 0.000 0.442 416 E N 4.218 124.500 120.200 0.137 0.000 2.278 416 E HA 0.399 4.749 4.350 -0.000 0.000 0.272 416 E C -0.448 176.211 176.600 0.099 0.000 0.890 416 E CA -0.443 56.010 56.400 0.088 0.000 0.770 416 E CB 1.871 31.602 29.700 0.052 0.000 1.212 416 E HN 0.649 nan 8.360 nan 0.000 0.415 417 T N 0.628 115.228 114.554 0.078 0.000 3.331 417 T HA 0.147 4.497 4.350 -0.000 0.000 0.282 417 T C 0.962 175.708 174.700 0.076 0.000 1.010 417 T CA -0.248 61.927 62.100 0.125 0.000 0.928 417 T CB -0.313 68.605 68.868 0.083 0.000 1.154 417 T HN 0.679 nan 8.240 nan 0.000 0.516 418 H N 1.282 120.269 119.070 -0.138 0.000 2.330 418 H HA -0.149 4.407 4.556 0.000 0.000 0.290 418 H C 2.320 177.514 175.328 -0.224 0.000 1.111 418 H CA 1.617 57.544 56.048 -0.201 0.000 1.226 418 H CB -0.266 29.340 29.762 -0.260 0.000 1.355 418 H HN 0.579 nan 8.280 nan 0.000 0.485 419 G N 0.250 108.901 108.800 -0.248 0.000 2.679 419 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.212 419 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.212 419 G C 0.623 175.614 174.900 0.151 0.000 1.137 419 G CA -0.017 44.968 45.100 -0.192 0.000 0.787 419 G HN 0.159 nan 8.290 nan 0.000 0.534 420 M N -0.038 119.692 119.600 0.217 0.000 2.113 420 M HA 0.340 4.820 4.480 -0.000 0.000 0.288 420 M C -0.300 176.032 176.300 0.053 0.000 1.225 420 M CA 0.097 55.485 55.300 0.146 0.000 1.148 420 M CB 1.021 33.661 32.600 0.067 0.000 1.388 420 M HN -0.163 nan 8.290 nan 0.000 0.469 421 V N 1.921 121.845 119.914 0.017 0.000 2.624 421 V HA 0.280 4.400 4.120 -0.000 0.000 0.294 421 V C -2.202 173.882 176.094 -0.018 0.000 1.077 421 V CA -1.291 61.006 62.300 -0.005 0.000 0.905 421 V CB 1.978 33.796 31.823 -0.008 0.000 1.025 421 V HN 0.734 nan 8.190 nan 0.000 0.440 422 P HA 0.265 nan 4.420 nan 0.000 0.274 422 P C 1.137 178.432 177.300 -0.009 0.000 1.246 422 P CA -0.522 62.569 63.100 -0.014 0.000 0.795 422 P CB 0.820 32.513 31.700 -0.011 0.000 1.006 423 M N 1.201 120.800 119.600 -0.001 0.000 2.192 423 M HA -0.257 4.223 4.480 -0.000 0.000 0.256 423 M C 1.117 177.424 176.300 0.012 0.000 1.076 423 M CA 2.246 57.552 55.300 0.009 0.000 1.075 423 M CB -0.377 32.219 32.600 -0.007 0.000 1.368 423 M HN 0.405 nan 8.290 nan 0.000 0.406 424 N N -0.224 118.483 118.700 0.012 0.000 2.268 424 N HA -0.062 4.678 4.740 -0.000 0.000 0.204 424 N C 1.153 176.624 175.510 -0.064 0.000 1.124 424 N CA 0.184 53.238 53.050 0.006 0.000 0.838 424 N CB -0.660 37.852 38.487 0.043 0.000 0.994 424 N HN 0.405 nan 8.380 nan 0.000 0.489 425 R N 0.640 121.092 120.500 -0.080 0.000 2.134 425 R HA -0.086 4.254 4.340 -0.000 0.000 0.248 425 R C 1.582 177.756 176.300 -0.210 0.000 1.143 425 R CA 1.718 57.745 56.100 -0.121 0.000 0.957 425 R CB -0.144 30.085 30.300 -0.118 0.000 0.867 425 R HN 0.297 nan 8.270 nan 0.000 0.441 426 L N -0.804 120.227 121.223 -0.320 0.000 2.102 426 L HA -0.032 4.308 4.340 -0.000 0.000 0.202 426 L C 2.556 179.230 176.870 -0.326 0.000 1.076 426 L CA 1.389 55.895 54.840 -0.556 0.000 0.761 426 L CB -0.757 40.721 42.059 -0.969 0.000 0.921 426 L HN 0.400 nan 8.230 nan 0.000 0.444 427 T N -3.700 110.706 114.554 -0.248 0.000 2.897 427 T HA -0.225 4.125 4.350 -0.000 0.000 0.271 427 T C 1.228 175.805 174.700 -0.206 0.000 1.084 427 T CA 1.483 63.424 62.100 -0.266 0.000 1.123 427 T CB -0.365 68.310 68.868 -0.321 0.000 0.865 427 T HN 0.116 nan 8.240 nan 0.000 0.496 428 D N 1.406 121.726 120.400 -0.135 0.000 2.358 428 D HA 0.154 4.794 4.640 -0.000 0.000 0.224 428 D C -0.547 175.720 176.300 -0.055 0.000 1.123 428 D CA -0.217 53.725 54.000 -0.097 0.000 0.833 428 D CB -0.061 40.696 40.800 -0.072 0.000 0.946 428 D HN 0.362 nan 8.370 nan 0.000 0.505 429 D N -0.614 119.770 120.400 -0.028 0.000 2.549 429 D HA 0.185 4.825 4.640 -0.000 0.000 0.251 429 D C -1.829 174.537 176.300 0.111 0.000 1.153 429 D CA -2.293 51.741 54.000 0.057 0.000 0.861 429 D CB 2.199 43.069 40.800 0.118 0.000 1.207 429 D HN -0.156 nan 8.370 nan 0.000 0.543 430 P HA -0.207 nan 4.420 nan 0.000 0.218 430 P C 1.164 178.472 177.300 0.013 0.000 1.154 430 P CA 1.262 64.372 63.100 0.016 0.000 0.872 430 P CB 0.316 32.014 31.700 -0.002 0.000 0.790 431 R N -1.825 118.690 120.500 0.025 0.000 2.139 431 R HA -0.157 4.183 4.340 -0.000 0.000 0.243 431 R C 1.915 178.078 176.300 -0.229 0.000 1.145 431 R CA 1.663 57.702 56.100 -0.102 0.000 0.976 431 R CB -0.860 29.363 30.300 -0.130 0.000 0.866 431 R HN 0.339 nan 8.270 nan 0.000 0.449 432 W N -0.579 120.660 121.300 -0.102 0.000 3.290 432 W HA 0.163 4.823 4.660 -0.000 0.000 0.287 432 W C 1.386 177.841 176.519 -0.107 0.000 1.288 432 W CA -0.545 56.738 57.345 -0.103 0.000 1.725 432 W CB -0.154 29.241 29.460 -0.109 0.000 1.103 432 W HN 0.040 nan 8.180 nan 0.000 0.670 433 L N 2.916 124.183 121.223 0.073 0.000 1.963 433 L HA -0.165 4.175 4.340 -0.000 0.000 0.220 433 L C -0.499 176.343 176.870 -0.046 0.000 1.076 433 L CA 2.471 57.307 54.840 -0.006 0.000 0.772 433 L CB -1.982 40.058 42.059 -0.032 0.000 0.892 433 L HN -0.196 nan 8.230 nan 0.000 0.435 434 P HA -0.241 nan 4.420 nan 0.000 0.217 434 P C 1.605 178.854 177.300 -0.084 0.000 1.158 434 P CA 2.615 65.657 63.100 -0.097 0.000 0.887 434 P CB -0.402 31.233 31.700 -0.109 0.000 0.792 435 A N -0.517 122.266 122.820 -0.061 0.000 1.865 435 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 435 A C 2.341 179.931 177.584 0.010 0.000 1.191 435 A CA 2.569 54.601 52.037 -0.009 0.000 0.623 435 A CB -1.577 17.468 19.000 0.075 0.000 0.826 435 A HN 0.098 nan 8.150 nan 0.000 0.444 436 M N 0.366 119.982 119.600 0.027 0.000 2.108 436 M HA -0.182 4.298 4.480 -0.000 0.000 0.261 436 M C 2.457 178.703 176.300 -0.090 0.000 1.066 436 M CA 1.973 57.262 55.300 -0.017 0.000 1.107 436 M CB -0.801 31.768 32.600 -0.051 0.000 1.356 436 M HN 0.595 nan 8.290 nan 0.000 0.406 437 S N 0.456 116.076 115.700 -0.133 0.000 2.359 437 S HA -0.184 4.286 4.470 -0.000 0.000 0.223 437 S C 1.661 176.105 174.600 -0.260 0.000 1.039 437 S CA 1.399 59.457 58.200 -0.237 0.000 1.042 437 S CB -0.721 62.324 63.200 -0.259 0.000 0.915 437 S HN 0.479 nan 8.310 nan 0.000 0.439 438 E N 1.276 121.369 120.200 -0.178 0.000 2.097 438 E HA -0.169 4.181 4.350 -0.000 0.000 0.196 438 E C 2.348 178.868 176.600 -0.134 0.000 1.000 438 E CA 1.021 57.327 56.400 -0.156 0.000 0.804 438 E CB -0.240 29.402 29.700 -0.097 0.000 0.740 438 E HN 0.500 nan 8.360 nan 0.000 0.454 439 R N 0.141 120.589 120.500 -0.087 0.000 2.120 439 R HA -0.110 4.230 4.340 -0.000 0.000 0.234 439 R C 2.390 178.649 176.300 -0.068 0.000 1.123 439 R CA 1.000 57.076 56.100 -0.040 0.000 0.975 439 R CB -0.038 30.272 30.300 0.017 0.000 0.866 439 R HN 0.026 nan 8.270 nan 0.000 0.446 440 V N 0.040 119.868 119.914 -0.143 0.000 2.374 440 V HA -0.183 3.937 4.120 -0.000 0.000 0.241 440 V C 2.400 178.342 176.094 -0.253 0.000 1.034 440 V CA 2.034 64.236 62.300 -0.163 0.000 1.037 440 V CB -0.401 31.316 31.823 -0.176 0.000 0.682 440 V HN 0.521 nan 8.190 nan 0.000 0.463 441 T N -0.169 114.112 114.554 -0.455 0.000 2.624 441 T HA -0.333 4.017 4.350 -0.000 0.000 0.268 441 T C 1.944 176.508 174.700 -0.227 0.000 1.041 441 T CA 1.894 63.656 62.100 -0.563 0.000 1.159 441 T CB -0.546 67.869 68.868 -0.755 0.000 0.863 441 T HN 0.387 nan 8.240 nan 0.000 0.434 442 R N 0.588 120.974 120.500 -0.190 0.000 2.091 442 R HA -0.004 4.336 4.340 -0.000 0.000 0.238 442 R C 2.738 178.975 176.300 -0.105 0.000 1.136 442 R CA 1.812 57.837 56.100 -0.125 0.000 0.959 442 R CB -0.579 29.656 30.300 -0.108 0.000 0.856 442 R HN 0.529 nan 8.270 nan 0.000 0.437 443 M N 0.785 120.332 119.600 -0.089 0.000 2.080 443 M HA -0.181 4.299 4.480 -0.000 0.000 0.260 443 M C 1.951 178.196 176.300 -0.092 0.000 1.068 443 M CA 1.750 57.025 55.300 -0.041 0.000 1.109 443 M CB -0.016 32.601 32.600 0.028 0.000 1.342 443 M HN -0.009 nan 8.290 nan 0.000 0.405 444 V N 1.553 121.325 119.914 -0.237 0.000 2.295 444 V HA -0.307 3.813 4.120 -0.000 0.000 0.246 444 V C 2.404 178.396 176.094 -0.169 0.000 1.049 444 V CA 2.309 64.361 62.300 -0.413 0.000 1.024 444 V CB -1.208 30.332 31.823 -0.471 0.000 0.648 444 V HN 0.627 nan 8.190 nan 0.000 0.447 445 Q N 0.018 119.755 119.800 -0.105 0.000 2.170 445 Q HA -0.249 4.091 4.340 -0.000 0.000 0.203 445 Q C 2.349 178.282 176.000 -0.112 0.000 0.976 445 Q CA 1.634 57.388 55.803 -0.081 0.000 0.858 445 Q CB -0.354 28.365 28.738 -0.033 0.000 0.907 445 Q HN 0.597 nan 8.270 nan 0.000 0.433 446 R N 0.778 121.202 120.500 -0.126 0.000 2.062 446 R HA -0.094 4.246 4.340 -0.000 0.000 0.226 446 R C 0.753 176.975 176.300 -0.130 0.000 1.125 446 R CA 1.429 57.428 56.100 -0.169 0.000 0.966 446 R CB 0.320 30.515 30.300 -0.173 0.000 0.861 446 R HN 0.150 nan 8.270 nan 0.000 0.433 447 D N -0.016 120.370 120.400 -0.024 0.000 2.360 447 D HA -0.020 4.620 4.640 -0.000 0.000 0.210 447 D C 1.465 177.863 176.300 0.164 0.000 1.047 447 D CA 0.234 54.264 54.000 0.050 0.000 0.854 447 D CB 0.209 40.995 40.800 -0.025 0.000 0.936 447 D HN 0.348 nan 8.370 nan 0.000 0.514 448 R N 0.795 121.412 120.500 0.194 0.000 2.303 448 R HA -0.009 4.331 4.340 -0.000 0.000 0.225 448 R C 0.904 177.200 176.300 -0.007 0.000 1.114 448 R CA 1.067 57.295 56.100 0.214 0.000 1.007 448 R CB -0.413 29.978 30.300 0.152 0.000 0.861 448 R HN -0.036 nan 8.270 nan 0.000 0.471 449 N N 0.214 118.823 118.700 -0.151 0.000 2.280 449 N HA -0.014 4.726 4.740 -0.000 0.000 0.192 449 N C -0.529 174.838 175.510 -0.239 0.000 1.109 449 N CA 0.129 53.045 53.050 -0.222 0.000 0.855 449 N CB 0.154 38.454 38.487 -0.312 0.000 0.974 449 N HN 0.321 nan 8.380 nan 0.000 0.482 450 H N 1.567 120.549 119.070 -0.147 0.000 2.723 450 H HA 0.115 4.671 4.556 -0.000 0.000 0.294 450 H C -1.201 173.962 175.328 -0.275 0.000 1.079 450 H CA -1.330 54.614 56.048 -0.173 0.000 1.411 450 H CB 1.632 31.327 29.762 -0.113 0.000 1.439 450 H HN 0.016 nan 8.280 nan 0.000 0.474 451 P HA -0.177 nan 4.420 nan 0.000 0.217 451 P C 1.432 178.312 177.300 -0.700 0.000 1.148 451 P CA 1.325 64.078 63.100 -0.579 0.000 0.828 451 P CB 0.205 31.298 31.700 -1.011 0.000 0.783 452 S N -1.310 114.052 115.700 -0.563 0.000 2.442 452 S HA -0.036 4.434 4.470 -0.000 0.000 0.236 452 S C 1.050 175.613 174.600 -0.061 0.000 1.007 452 S CA 0.307 58.349 58.200 -0.264 0.000 0.965 452 S CB -1.407 61.755 63.200 -0.063 0.000 0.773 452 S HN -0.054 nan 8.310 nan 0.000 0.504 453 V N 3.563 123.403 119.914 -0.123 0.000 2.470 453 V HA 0.263 4.383 4.120 -0.000 0.000 0.276 453 V C 1.022 176.972 176.094 -0.240 0.000 1.040 453 V CA -0.075 62.120 62.300 -0.175 0.000 1.008 453 V CB 0.621 32.238 31.823 -0.342 0.000 0.990 453 V HN 0.625 nan 8.190 nan 0.000 0.477 454 I N 2.537 123.009 120.570 -0.164 0.000 4.327 454 I HA 0.525 4.695 4.170 -0.000 0.000 0.331 454 I C 0.202 176.196 176.117 -0.204 0.000 1.348 454 I CA 0.340 61.551 61.300 -0.148 0.000 1.152 454 I CB 0.519 38.512 38.000 -0.012 0.000 1.151 454 I HN 0.319 nan 8.210 nan 0.000 0.410 455 I N 0.491 120.905 120.570 -0.259 0.000 2.692 455 I HA 0.336 4.506 4.170 -0.000 0.000 0.293 455 I C -1.598 174.412 176.117 -0.178 0.000 1.200 455 I CA -0.398 60.799 61.300 -0.172 0.000 1.036 455 I CB 2.047 40.043 38.000 -0.007 0.000 1.258 455 I HN 0.038 nan 8.210 nan 0.000 0.421 456 W N 3.862 125.207 121.300 0.074 0.000 2.449 456 W HA 0.616 5.276 4.660 -0.000 0.000 0.331 456 W C 0.441 177.022 176.519 0.102 0.000 1.119 456 W CA -0.628 56.767 57.345 0.083 0.000 1.240 456 W CB 1.652 31.154 29.460 0.069 0.000 1.251 456 W HN 0.364 nan 8.180 nan 0.000 0.576 457 S N 2.798 118.728 115.700 0.383 0.000 2.557 457 S HA 0.398 4.868 4.470 -0.000 0.000 0.291 457 S C -0.091 174.674 174.600 0.276 0.000 1.116 457 S CA -0.756 57.617 58.200 0.288 0.000 0.992 457 S CB 0.788 64.112 63.200 0.207 0.000 1.028 457 S HN 0.568 nan 8.310 nan 0.000 0.484 458 L N 4.188 125.571 121.223 0.266 0.000 2.645 458 L HA 0.387 4.727 4.340 -0.000 0.000 0.235 458 L C 1.411 178.375 176.870 0.156 0.000 1.150 458 L CA 0.380 55.313 54.840 0.155 0.000 0.911 458 L CB -1.452 40.613 42.059 0.009 0.000 1.077 458 L HN 1.039 nan 8.230 nan 0.000 0.438 459 G N 0.132 109.085 108.800 0.255 0.000 2.297 459 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.209 459 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.209 459 G C -1.482 173.586 174.900 0.280 0.000 1.267 459 G CA -0.549 44.696 45.100 0.242 0.000 1.127 459 G HN 0.233 nan 8.290 nan 0.000 0.498 460 N N 0.333 119.146 118.700 0.189 0.000 2.598 460 N HA 0.451 5.191 4.740 -0.000 0.000 0.263 460 N C -0.459 175.005 175.510 -0.076 0.000 1.254 460 N CA 0.142 53.164 53.050 -0.047 0.000 0.863 460 N CB 1.390 39.571 38.487 -0.509 0.000 1.586 460 N HN 0.952 nan 8.380 nan 0.000 0.491 461 E N 0.273 120.321 120.200 -0.252 0.000 1.867 461 E HA -0.203 4.147 4.350 -0.000 0.000 0.164 461 E C -0.783 175.713 176.600 -0.174 0.000 1.355 461 E CA 0.691 56.865 56.400 -0.377 0.000 0.575 461 E CB -1.445 27.732 29.700 -0.871 0.000 1.037 461 E HN 0.360 nan 8.360 nan 0.000 0.286 462 S N 0.166 115.915 115.700 0.082 0.000 2.941 462 S HA 0.399 4.869 4.470 -0.000 0.000 0.251 462 S C 0.724 175.481 174.600 0.261 0.000 1.029 462 S CA -0.121 58.182 58.200 0.172 0.000 1.062 462 S CB 1.363 64.715 63.200 0.255 0.000 0.977 462 S HN 0.892 nan 8.310 nan 0.000 0.552 463 G N 1.980 110.879 108.800 0.165 0.000 2.575 463 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.267 463 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.267 463 G C -0.516 174.599 174.900 0.357 0.000 1.264 463 G CA -0.007 45.197 45.100 0.173 0.000 0.935 463 G HN 0.625 nan 8.290 nan 0.000 0.568 464 H N 0.433 119.629 119.070 0.209 0.000 2.840 464 H HA 0.577 5.133 4.556 -0.000 0.000 0.340 464 H C 0.115 175.620 175.328 0.295 0.000 1.004 464 H CA 0.060 56.259 56.048 0.252 0.000 1.288 464 H CB 1.021 30.858 29.762 0.126 0.000 1.607 464 H HN 1.263 nan 8.280 nan 0.000 0.522 465 G N 1.383 110.188 108.800 0.008 0.000 2.642 465 G HA2 0.453 4.413 3.960 -0.000 0.000 0.293 465 G HA3 0.453 4.413 3.960 -0.000 0.000 0.293 465 G C 0.494 175.221 174.900 -0.288 0.000 1.341 465 G CA -0.143 44.817 45.100 -0.234 0.000 0.916 465 G HN 0.665 nan 8.290 nan 0.000 0.474 466 A N 0.602 123.300 122.820 -0.204 0.000 1.986 466 A HA -0.148 4.172 4.320 -0.000 0.000 0.220 466 A C 2.187 179.725 177.584 -0.075 0.000 1.171 466 A CA 2.206 54.178 52.037 -0.108 0.000 0.640 466 A CB -0.523 18.441 19.000 -0.060 0.000 0.811 466 A HN 0.566 nan 8.150 nan 0.000 0.451 467 N N -0.346 118.270 118.700 -0.141 0.000 2.137 467 N HA -0.181 4.559 4.740 -0.000 0.000 0.190 467 N C 1.416 176.851 175.510 -0.126 0.000 1.017 467 N CA 1.885 54.843 53.050 -0.155 0.000 0.859 467 N CB -0.724 37.636 38.487 -0.212 0.000 1.002 467 N HN 0.812 nan 8.380 nan 0.000 0.428 468 H N 0.396 119.407 119.070 -0.097 0.000 2.293 468 H HA -0.044 4.512 4.556 -0.000 0.000 0.300 468 H C 1.367 176.734 175.328 0.065 0.000 1.082 468 H CA 1.354 57.360 56.048 -0.071 0.000 1.308 468 H CB 0.065 29.771 29.762 -0.093 0.000 1.375 468 H HN 0.177 nan 8.280 nan 0.000 0.495 469 D N 0.517 121.050 120.400 0.222 0.000 2.116 469 D HA -0.192 4.448 4.640 -0.000 0.000 0.193 469 D C 2.314 178.755 176.300 0.235 0.000 0.998 469 D CA 1.344 55.475 54.000 0.220 0.000 0.836 469 D CB -0.565 40.331 40.800 0.161 0.000 0.951 469 D HN 0.445 nan 8.370 nan 0.000 0.449 470 A N 0.799 123.708 122.820 0.147 0.000 1.908 470 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 470 A C 2.464 180.154 177.584 0.175 0.000 1.181 470 A CA 1.043 53.163 52.037 0.137 0.000 0.627 470 A CB -0.773 18.266 19.000 0.065 0.000 0.818 470 A HN 0.216 nan 8.150 nan 0.000 0.445 471 L N -2.170 119.140 121.223 0.145 0.000 2.056 471 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 471 L C 2.600 179.611 176.870 0.234 0.000 1.078 471 L CA 1.739 56.666 54.840 0.144 0.000 0.749 471 L CB -0.808 41.273 42.059 0.037 0.000 0.901 471 L HN 0.611 nan 8.230 nan 0.000 0.433 472 Y N 0.950 121.328 120.300 0.131 0.000 2.081 472 Y HA -0.315 4.235 4.550 -0.000 0.000 0.280 472 Y C 2.919 178.897 175.900 0.131 0.000 1.163 472 Y CA 1.629 59.809 58.100 0.135 0.000 1.135 472 Y CB -0.233 38.307 38.460 0.134 0.000 0.970 472 Y HN -0.056 nan 8.280 nan 0.000 0.498 473 R N 0.009 120.640 120.500 0.219 0.000 2.083 473 R HA -0.250 4.090 4.340 -0.000 0.000 0.237 473 R C 2.118 178.419 176.300 0.002 0.000 1.137 473 R CA 2.014 58.163 56.100 0.082 0.000 0.951 473 R CB -1.696 28.726 30.300 0.204 0.000 0.851 473 R HN 0.687 nan 8.270 nan 0.000 0.434 474 W N 1.308 122.566 121.300 -0.071 0.000 2.318 474 W HA -0.209 4.451 4.660 0.000 0.000 0.313 474 W C 1.942 178.367 176.519 -0.157 0.000 1.221 474 W CA 1.949 59.237 57.345 -0.095 0.000 1.266 474 W CB -0.421 28.987 29.460 -0.087 0.000 1.150 474 W HN 0.022 nan 8.180 nan 0.000 0.496 475 I N 0.613 121.174 120.570 -0.014 0.000 2.142 475 I HA -0.351 3.819 4.170 -0.000 0.000 0.240 475 I C 2.467 178.353 176.117 -0.386 0.000 1.078 475 I CA 1.430 62.552 61.300 -0.297 0.000 1.343 475 I CB -1.015 36.879 38.000 -0.177 0.000 1.046 475 I HN -0.092 nan 8.210 nan 0.000 0.405 476 K N 1.183 121.381 120.400 -0.337 0.000 2.089 476 K HA -0.173 4.147 4.320 -0.000 0.000 0.210 476 K C 2.219 178.667 176.600 -0.252 0.000 1.048 476 K CA 1.890 58.003 56.287 -0.290 0.000 0.926 476 K CB -0.668 31.641 32.500 -0.319 0.000 0.714 476 K HN 0.374 nan 8.250 nan 0.000 0.448 477 S N 0.314 115.828 115.700 -0.309 0.000 2.395 477 S HA -0.035 4.435 4.470 -0.000 0.000 0.225 477 S C 2.227 176.596 174.600 -0.386 0.000 1.027 477 S CA 0.811 58.833 58.200 -0.297 0.000 0.965 477 S CB -0.132 62.904 63.200 -0.273 0.000 0.812 477 S HN -0.006 nan 8.310 nan 0.000 0.482 478 V N 1.383 120.927 119.914 -0.617 0.000 2.535 478 V HA 0.061 4.181 4.120 -0.000 0.000 0.246 478 V C 0.387 176.237 176.094 -0.407 0.000 1.045 478 V CA 1.238 63.156 62.300 -0.637 0.000 1.058 478 V CB -0.236 30.890 31.823 -1.162 0.000 0.689 478 V HN 0.393 nan 8.190 nan 0.000 0.461 479 D N -0.712 119.489 120.400 -0.332 0.000 2.358 479 D HA 0.273 4.913 4.640 -0.000 0.000 0.253 479 D C -2.272 174.004 176.300 -0.040 0.000 1.288 479 D CA -1.769 52.153 54.000 -0.130 0.000 0.950 479 D CB 1.978 42.785 40.800 0.012 0.000 1.197 479 D HN 0.079 nan 8.370 nan 0.000 0.550 480 P HA 0.027 nan 4.420 nan 0.000 0.255 480 P C 1.077 178.393 177.300 0.027 0.000 1.248 480 P CA 0.228 63.316 63.100 -0.020 0.000 0.807 480 P CB 0.311 31.990 31.700 -0.036 0.000 1.150 481 S N -0.504 115.224 115.700 0.047 0.000 2.489 481 S HA 0.029 4.499 4.470 -0.000 0.000 0.228 481 S C 0.908 175.539 174.600 0.051 0.000 0.995 481 S CA -0.039 58.193 58.200 0.054 0.000 0.934 481 S CB -0.398 62.828 63.200 0.044 0.000 0.771 481 S HN 0.106 nan 8.310 nan 0.000 0.522 482 R N 0.955 121.504 120.500 0.081 0.000 2.744 482 R HA 0.635 4.975 4.340 -0.000 0.000 0.279 482 R C -3.221 173.143 176.300 0.106 0.000 0.977 482 R CA -2.409 53.710 56.100 0.032 0.000 0.906 482 R CB 1.062 31.265 30.300 -0.162 0.000 1.197 482 R HN 0.127 nan 8.270 nan 0.000 0.463 483 P HA 0.197 nan 4.420 nan 0.000 0.276 483 P C -0.795 176.607 177.300 0.171 0.000 1.252 483 P CA -0.530 62.634 63.100 0.106 0.000 0.802 483 P CB 0.783 32.530 31.700 0.078 0.000 1.035 484 V N 1.861 121.899 119.914 0.205 0.000 2.540 484 V HA 0.410 4.530 4.120 -0.000 0.000 0.302 484 V C 0.139 176.411 176.094 0.296 0.000 1.035 484 V CA -0.416 62.050 62.300 0.278 0.000 0.873 484 V CB 1.334 33.301 31.823 0.239 0.000 0.992 484 V HN 0.631 nan 8.190 nan 0.000 0.428 485 Q N 3.673 123.629 119.800 0.260 0.000 2.433 485 Q HA 0.822 5.162 4.340 -0.000 0.000 0.279 485 Q C -1.755 174.404 176.000 0.265 0.000 1.105 485 Q CA -0.976 54.952 55.803 0.208 0.000 0.815 485 Q CB 2.978 31.785 28.738 0.115 0.000 1.403 485 Q HN 0.662 nan 8.270 nan 0.000 0.435 486 Y N 0.189 120.507 120.300 0.030 0.000 2.376 486 Y HA 0.154 4.704 4.550 -0.000 0.000 0.321 486 Y C -0.372 175.478 175.900 -0.084 0.000 1.189 486 Y CA -0.643 57.443 58.100 -0.023 0.000 1.069 486 Y CB 2.096 40.538 38.460 -0.031 0.000 1.292 486 Y HN 0.951 nan 8.280 nan 0.000 0.430 487 E N 3.597 123.338 120.200 -0.766 0.000 2.250 487 E HA 0.115 4.465 4.350 -0.000 0.000 0.192 487 E C 0.734 176.874 176.600 -0.766 0.000 0.986 487 E CA 0.767 56.802 56.400 -0.609 0.000 0.849 487 E CB 0.177 29.638 29.700 -0.398 0.000 0.797 487 E HN 0.909 nan 8.360 nan 0.000 0.482 488 G N 0.063 107.965 108.800 -1.498 0.000 2.464 488 G HA2 0.157 4.117 3.960 -0.000 0.000 0.231 488 G HA3 0.157 4.117 3.960 -0.000 0.000 0.231 488 G C 0.808 175.543 174.900 -0.275 0.000 1.267 488 G CA 0.398 45.025 45.100 -0.789 0.000 0.863 488 G HN 0.390 nan 8.290 nan 0.000 0.559 489 G N -0.244 108.498 108.800 -0.096 0.000 2.198 489 G HA2 0.230 4.190 3.960 -0.000 0.000 0.260 489 G HA3 0.230 4.190 3.960 -0.000 0.000 0.260 489 G C 1.290 176.175 174.900 -0.026 0.000 1.025 489 G CA 0.999 46.102 45.100 0.006 0.000 0.769 489 G HN 2.638 nan 8.290 nan 0.000 0.507 490 G N -1.714 107.067 108.800 -0.031 0.000 2.229 490 G HA2 0.420 4.380 3.960 -0.000 0.000 0.189 490 G HA3 0.420 4.380 3.960 -0.000 0.000 0.189 490 G C 1.089 176.080 174.900 0.152 0.000 1.000 490 G CA 1.330 46.469 45.100 0.066 0.000 0.663 490 G HN 2.340 nan 8.290 nan 0.000 0.493 491 A N -0.154 122.650 122.820 -0.025 0.000 3.413 491 A HA -0.113 4.207 4.320 -0.000 0.000 0.268 491 A C 1.093 178.624 177.584 -0.089 0.000 1.128 491 A CA 2.665 54.640 52.037 -0.103 0.000 1.062 491 A CB -1.810 17.099 19.000 -0.151 0.000 1.121 491 A HN 2.111 nan 8.150 nan 0.000 0.895 492 D N -1.094 119.321 120.400 0.025 0.000 2.692 492 D HA 0.301 4.941 4.640 -0.000 0.000 0.290 492 D C 0.433 176.722 176.300 -0.019 0.000 1.455 492 D CA 0.841 54.862 54.000 0.036 0.000 0.796 492 D CB -1.153 39.798 40.800 0.252 0.000 1.131 492 D HN 0.846 nan 8.370 nan 0.000 0.467 493 T N -2.451 112.027 114.554 -0.126 0.000 2.698 493 T HA 0.146 4.496 4.350 -0.000 0.000 0.295 493 T C 1.614 176.183 174.700 -0.219 0.000 1.007 493 T CA 0.580 62.533 62.100 -0.245 0.000 0.980 493 T CB 1.031 69.540 68.868 -0.599 0.000 1.036 493 T HN 0.078 nan 8.240 nan 0.000 0.526 494 T N -2.143 112.270 114.554 -0.236 0.000 3.113 494 T HA 0.127 4.477 4.350 -0.000 0.000 0.263 494 T C 1.648 176.101 174.700 -0.411 0.000 1.143 494 T CA 0.599 62.574 62.100 -0.209 0.000 1.090 494 T CB -0.770 68.044 68.868 -0.088 0.000 0.922 494 T HN 0.836 nan 8.240 nan 0.000 0.521 495 A N 0.140 122.750 122.820 -0.349 0.000 2.337 495 A HA 0.464 4.784 4.320 -0.000 0.000 0.227 495 A C 0.981 178.382 177.584 -0.304 0.000 1.259 495 A CA -0.024 51.761 52.037 -0.419 0.000 0.870 495 A CB -0.111 18.899 19.000 0.017 0.000 0.927 495 A HN 0.492 nan 8.150 nan 0.000 0.497 496 T N -1.531 112.884 114.554 -0.231 0.000 2.912 496 T HA 0.386 4.736 4.350 -0.000 0.000 0.299 496 T C -0.562 174.168 174.700 0.050 0.000 1.052 496 T CA -0.466 61.642 62.100 0.012 0.000 0.996 496 T CB 1.319 70.190 68.868 0.005 0.000 1.070 496 T HN 0.077 nan 8.240 nan 0.000 0.465 497 D N 2.619 123.126 120.400 0.178 0.000 2.349 497 D HA 0.305 4.945 4.640 -0.000 0.000 0.215 497 D C 0.255 176.592 176.300 0.061 0.000 1.016 497 D CA 0.660 54.749 54.000 0.148 0.000 0.870 497 D CB 0.398 41.311 40.800 0.189 0.000 0.917 497 D HN 0.511 nan 8.370 nan 0.000 0.524 498 I N 0.472 121.057 120.570 0.027 0.000 2.769 498 I HA 0.253 4.423 4.170 -0.000 0.000 0.298 498 I C -0.429 175.630 176.117 -0.097 0.000 1.128 498 I CA -0.955 60.326 61.300 -0.032 0.000 1.031 498 I CB 2.997 40.985 38.000 -0.020 0.000 1.235 498 I HN -0.348 nan 8.210 nan 0.000 0.423 499 I N 4.902 125.369 120.570 -0.171 0.000 2.363 499 I HA 0.125 4.295 4.170 -0.000 0.000 0.292 499 I C -0.057 175.868 176.117 -0.320 0.000 1.075 499 I CA -0.166 60.946 61.300 -0.313 0.000 1.333 499 I CB 0.052 37.771 38.000 -0.468 0.000 1.415 499 I HN 0.599 nan 8.210 nan 0.000 0.502 500 C N 5.415 124.547 119.300 -0.281 0.000 3.273 500 C HA 0.503 4.963 4.460 -0.000 0.000 0.227 500 C C -2.192 172.664 174.990 -0.222 0.000 1.409 500 C CA -2.267 56.627 59.018 -0.208 0.000 1.516 500 C CB -0.890 26.784 27.740 -0.111 0.000 1.853 500 C HN 0.408 nan 8.230 nan 0.000 0.472 501 P HA 0.439 nan 4.420 nan 0.000 0.275 501 P C -0.514 176.719 177.300 -0.112 0.000 1.266 501 P CA -0.031 62.958 63.100 -0.186 0.000 0.793 501 P CB 0.694 32.282 31.700 -0.186 0.000 1.074 502 M N -0.886 118.676 119.600 -0.062 0.000 2.204 502 M HA 0.483 4.963 4.480 -0.000 0.000 0.293 502 M C -1.083 175.202 176.300 -0.025 0.000 0.994 502 M CA -0.632 54.546 55.300 -0.203 0.000 0.925 502 M CB 1.651 34.087 32.600 -0.275 0.000 1.577 502 M HN 0.353 nan 8.290 nan 0.000 0.439 503 Y N -0.325 120.125 120.300 0.249 0.000 4.729 503 Y HA -0.197 4.353 4.550 0.000 0.000 0.239 503 Y C 0.489 176.542 175.900 0.256 0.000 1.043 503 Y CA 0.414 58.663 58.100 0.249 0.000 2.045 503 Y CB -2.166 36.411 38.460 0.195 0.000 1.599 503 Y HN 1.006 nan 8.280 nan 0.000 0.655 504 A N 1.092 124.119 122.820 0.345 0.000 2.425 504 A HA 0.616 4.936 4.320 -0.000 0.000 0.249 504 A C 0.671 178.453 177.584 0.330 0.000 1.084 504 A CA -0.376 51.864 52.037 0.339 0.000 0.781 504 A CB 0.412 19.638 19.000 0.376 0.000 1.019 504 A HN 0.408 nan 8.150 nan 0.000 0.490 505 R N 1.127 121.757 120.500 0.216 0.000 2.543 505 R HA 0.359 4.699 4.340 -0.000 0.000 0.268 505 R C 1.096 177.364 176.300 -0.054 0.000 1.067 505 R CA -0.685 55.477 56.100 0.102 0.000 1.142 505 R CB 0.764 31.102 30.300 0.062 0.000 1.110 505 R HN 0.481 nan 8.270 nan 0.000 0.549 506 V N 0.672 120.407 119.914 -0.298 0.000 2.270 506 V HA -0.212 3.908 4.120 -0.000 0.000 0.245 506 V C 0.868 176.844 176.094 -0.195 0.000 1.043 506 V CA 1.898 63.972 62.300 -0.377 0.000 1.014 506 V CB -0.227 31.264 31.823 -0.553 0.000 0.645 506 V HN 0.768 nan 8.190 nan 0.000 0.447 507 D N -1.422 118.898 120.400 -0.134 0.000 2.474 507 D HA 0.123 4.763 4.640 -0.000 0.000 0.213 507 D C 0.747 177.028 176.300 -0.031 0.000 1.120 507 D CA 0.050 54.004 54.000 -0.077 0.000 0.836 507 D CB 0.948 41.708 40.800 -0.068 0.000 1.019 507 D HN 0.553 nan 8.370 nan 0.000 0.507 508 E N 1.604 121.792 120.200 -0.019 0.000 2.179 508 E HA 0.197 4.547 4.350 -0.000 0.000 0.275 508 E C -1.036 175.568 176.600 0.007 0.000 0.945 508 E CA -0.621 55.776 56.400 -0.005 0.000 0.792 508 E CB 1.462 31.158 29.700 -0.006 0.000 1.125 508 E HN -0.278 nan 8.360 nan 0.000 0.397 509 D N 3.236 123.637 120.400 0.002 0.000 2.225 509 D HA 0.183 4.823 4.640 -0.000 0.000 0.249 509 D C -0.752 175.449 176.300 -0.164 0.000 1.052 509 D CA -0.026 53.967 54.000 -0.012 0.000 0.909 509 D CB 1.410 42.262 40.800 0.087 0.000 1.186 509 D HN 0.382 nan 8.370 nan 0.000 0.431 510 Q N 1.555 121.147 119.800 -0.347 0.000 2.616 510 Q HA 0.287 4.627 4.340 -0.000 0.000 0.250 510 Q C -2.342 173.004 176.000 -1.091 0.000 0.991 510 Q CA -1.644 53.746 55.803 -0.689 0.000 0.707 510 Q CB 2.452 30.802 28.738 -0.645 0.000 1.247 510 Q HN 0.119 nan 8.270 nan 0.000 0.491 511 P HA 0.066 nan 4.420 nan 0.000 0.220 511 P C -0.852 176.093 177.300 -0.592 0.000 1.806 511 P CA -0.135 62.540 63.100 -0.709 0.000 0.976 511 P CB -0.530 30.956 31.700 -0.357 0.000 1.952 512 F N 2.434 122.231 119.950 -0.254 0.000 2.459 512 F HA 0.261 4.788 4.527 -0.000 0.000 0.346 512 F C -1.216 174.478 175.800 -0.177 0.000 1.128 512 F CA -2.627 55.270 58.000 -0.171 0.000 1.268 512 F CB -0.453 38.463 39.000 -0.140 0.000 1.161 512 F HN 0.054 nan 8.300 nan 0.000 0.583 513 P HA 0.033 nan 4.420 nan 0.000 0.266 513 P C 0.387 177.702 177.300 0.025 0.000 1.195 513 P CA 0.968 64.084 63.100 0.026 0.000 0.768 513 P CB 1.012 32.729 31.700 0.028 0.000 0.838 514 A N 2.840 125.661 122.820 0.000 0.000 3.292 514 A HA -0.258 4.062 4.320 -0.000 0.000 0.241 514 A C 0.715 178.294 177.584 -0.009 0.000 0.569 514 A CA 2.178 54.217 52.037 0.003 0.000 1.149 514 A CB -2.677 16.329 19.000 0.010 0.000 1.321 514 A HN 0.752 nan 8.150 nan 0.000 0.679 515 V N -3.562 116.350 119.914 -0.004 0.000 2.546 515 V HA 0.574 4.694 4.120 -0.000 0.000 0.260 515 V C -2.664 173.432 176.094 0.004 0.000 0.933 515 V CA -1.251 61.043 62.300 -0.011 0.000 0.994 515 V CB 0.897 32.723 31.823 0.005 0.000 1.160 515 V HN 0.439 nan 8.190 nan 0.000 0.523 516 P HA 0.344 nan 4.420 nan 0.000 0.274 516 P C -0.728 176.127 177.300 -0.743 0.000 1.231 516 P CA 0.053 62.798 63.100 -0.592 0.000 0.790 516 P CB 0.966 31.918 31.700 -1.247 0.000 0.951 517 K N 2.132 122.148 120.400 -0.639 0.000 2.464 517 K HA 0.243 4.563 4.320 -0.000 0.000 0.252 517 K C -0.482 175.840 176.600 -0.464 0.000 1.000 517 K CA -0.286 55.789 56.287 -0.354 0.000 0.951 517 K CB 0.635 33.224 32.500 0.147 0.000 1.183 517 K HN 0.476 nan 8.250 nan 0.000 0.445 518 W N 1.559 122.586 121.300 -0.456 0.000 2.126 518 W HA 0.046 4.706 4.660 0.000 0.000 0.346 518 W C 1.333 177.869 176.519 0.030 0.000 1.279 518 W CA -0.652 56.514 57.345 -0.298 0.000 1.259 518 W CB 0.517 29.642 29.460 -0.557 0.000 1.133 518 W HN 0.441 nan 8.180 nan 0.000 0.592 519 S N 3.197 119.061 115.700 0.273 0.000 2.558 519 S HA -0.067 4.403 4.470 -0.000 0.000 0.288 519 S C 1.133 175.876 174.600 0.239 0.000 1.318 519 S CA -0.229 58.071 58.200 0.167 0.000 1.056 519 S CB 0.259 63.491 63.200 0.054 0.000 0.853 519 S HN 0.549 nan 8.310 nan 0.000 0.505 520 I N 1.428 122.097 120.570 0.165 0.000 2.361 520 I HA -0.176 3.994 4.170 -0.000 0.000 0.251 520 I C 1.868 178.007 176.117 0.036 0.000 1.133 520 I CA 1.228 62.624 61.300 0.160 0.000 1.413 520 I CB -0.573 37.461 38.000 0.056 0.000 1.073 520 I HN 0.653 nan 8.210 nan 0.000 0.424 521 K N 1.946 122.275 120.400 -0.118 0.000 2.148 521 K HA -0.160 4.160 4.320 -0.000 0.000 0.204 521 K C 2.154 178.738 176.600 -0.027 0.000 1.050 521 K CA 1.538 57.687 56.287 -0.231 0.000 0.942 521 K CB -0.284 31.984 32.500 -0.386 0.000 0.724 521 K HN 0.437 nan 8.250 nan 0.000 0.446 522 K N 0.677 121.086 120.400 0.015 0.000 2.062 522 K HA -0.144 4.176 4.320 -0.000 0.000 0.205 522 K C 1.931 178.539 176.600 0.013 0.000 1.051 522 K CA 0.643 56.919 56.287 -0.018 0.000 0.941 522 K CB -0.091 32.364 32.500 -0.076 0.000 0.719 522 K HN 0.172 nan 8.250 nan 0.000 0.440 523 W N 2.081 123.343 121.300 -0.064 0.000 2.321 523 W HA -0.232 4.428 4.660 -0.000 0.000 0.306 523 W C 1.558 178.041 176.519 -0.060 0.000 1.217 523 W CA 1.336 58.656 57.345 -0.042 0.000 1.257 523 W CB -0.659 28.878 29.460 0.129 0.000 1.145 523 W HN 0.137 nan 8.180 nan 0.000 0.509 524 L N 0.793 122.162 121.223 0.245 0.000 2.081 524 L HA -0.273 4.067 4.340 -0.000 0.000 0.212 524 L C 2.540 179.465 176.870 0.093 0.000 1.080 524 L CA 2.087 57.006 54.840 0.131 0.000 0.754 524 L CB -1.011 41.106 42.059 0.097 0.000 0.893 524 L HN 0.026 nan 8.230 nan 0.000 0.433 525 S N -1.036 114.698 115.700 0.056 0.000 2.593 525 S HA 0.131 4.601 4.470 -0.000 0.000 0.217 525 S C 0.745 175.320 174.600 -0.041 0.000 0.966 525 S CA -0.462 57.743 58.200 0.008 0.000 0.914 525 S CB -0.479 62.720 63.200 -0.001 0.000 0.776 525 S HN 0.199 nan 8.310 nan 0.000 0.523 526 L N 2.192 123.379 121.223 -0.060 0.000 2.506 526 L HA 0.243 4.583 4.340 -0.000 0.000 0.281 526 L C -2.212 174.625 176.870 -0.055 0.000 1.228 526 L CA -1.720 53.047 54.840 -0.122 0.000 0.850 526 L CB -0.437 41.515 42.059 -0.178 0.000 1.110 526 L HN 0.045 nan 8.230 nan 0.000 0.496 527 P HA 0.001 nan 4.420 nan 0.000 0.260 527 P C 0.835 178.126 177.300 -0.015 0.000 1.185 527 P CA 0.991 64.067 63.100 -0.040 0.000 0.763 527 P CB 0.694 32.365 31.700 -0.048 0.000 0.776 528 G N 2.043 110.841 108.800 -0.003 0.000 2.253 528 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.251 528 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.251 528 G C 0.314 175.227 174.900 0.023 0.000 0.998 528 G CA 0.135 45.241 45.100 0.010 0.000 0.621 528 G HN 0.627 nan 8.290 nan 0.000 0.524 529 E N 1.210 121.429 120.200 0.032 0.000 2.392 529 E HA 0.543 4.893 4.350 -0.000 0.000 0.264 529 E C 1.406 178.028 176.600 0.037 0.000 1.024 529 E CA 0.993 57.425 56.400 0.053 0.000 0.903 529 E CB 0.783 30.544 29.700 0.101 0.000 0.963 529 E HN 0.669 nan 8.360 nan 0.000 0.432 530 T N 0.524 115.097 114.554 0.030 0.000 3.131 530 T HA 0.302 4.652 4.350 -0.000 0.000 0.283 530 T C 0.579 175.285 174.700 0.011 0.000 0.906 530 T CA -0.454 61.658 62.100 0.020 0.000 0.882 530 T CB 0.042 68.921 68.868 0.019 0.000 1.208 530 T HN 0.276 nan 8.240 nan 0.000 0.561 531 R N 2.165 122.667 120.500 0.004 0.000 2.707 531 R HA 0.467 4.807 4.340 -0.000 0.000 0.270 531 R C -2.563 173.716 176.300 -0.036 0.000 1.083 531 R CA -1.576 54.516 56.100 -0.014 0.000 1.182 531 R CB 0.041 30.326 30.300 -0.025 0.000 1.084 531 R HN 0.243 nan 8.270 nan 0.000 0.528 532 P HA 0.132 nan 4.420 nan 0.000 0.279 532 P C -1.340 175.891 177.300 -0.115 0.000 1.252 532 P CA -0.411 62.647 63.100 -0.071 0.000 0.811 532 P CB 0.652 32.312 31.700 -0.068 0.000 1.035 533 L N 1.933 123.068 121.223 -0.146 0.000 2.356 533 L HA 0.656 4.996 4.340 -0.000 0.000 0.277 533 L C -1.378 175.354 176.870 -0.230 0.000 0.996 533 L CA -0.293 54.423 54.840 -0.206 0.000 0.822 533 L CB 0.853 42.754 42.059 -0.265 0.000 1.256 533 L HN 0.221 nan 8.230 nan 0.000 0.413 534 I N 5.458 125.895 120.570 -0.223 0.000 2.512 534 I HA 0.311 4.481 4.170 -0.000 0.000 0.287 534 I C -0.968 175.049 176.117 -0.166 0.000 1.069 534 I CA -0.638 60.520 61.300 -0.236 0.000 1.056 534 I CB 2.070 39.982 38.000 -0.146 0.000 1.229 534 I HN 0.546 nan 8.210 nan 0.000 0.429 535 L N 5.475 126.570 121.223 -0.214 0.000 2.360 535 L HA 0.121 4.461 4.340 -0.000 0.000 0.276 535 L C 1.422 178.355 176.870 0.105 0.000 1.121 535 L CA -0.262 54.515 54.840 -0.106 0.000 0.845 535 L CB 0.859 42.822 42.059 -0.161 0.000 1.143 535 L HN 0.868 nan 8.230 nan 0.000 0.452 536 C N 0.344 119.691 119.300 0.080 0.000 2.446 536 C HA 0.113 4.573 4.460 -0.000 0.000 0.279 536 C C 0.619 175.742 174.990 0.222 0.000 1.366 536 C CA -0.092 59.020 59.018 0.157 0.000 1.763 536 C CB -0.956 26.787 27.740 0.006 0.000 1.929 536 C HN 0.822 nan 8.230 nan 0.000 0.509 537 E N -0.783 119.471 120.200 0.089 0.000 2.321 537 E HA 0.599 4.949 4.350 -0.000 0.000 0.281 537 E C -1.379 175.141 176.600 -0.134 0.000 0.910 537 E CA -0.358 56.073 56.400 0.052 0.000 0.770 537 E CB 1.918 31.474 29.700 -0.241 0.000 1.225 537 E HN 0.689 nan 8.360 nan 0.000 0.417 538 Y N -0.825 119.440 120.300 -0.058 0.000 2.677 538 Y HA 0.606 5.156 4.550 0.000 0.000 0.334 538 Y C -0.806 175.261 175.900 0.279 0.000 1.196 538 Y CA -0.755 57.345 58.100 0.001 0.000 1.059 538 Y CB 0.991 39.360 38.460 -0.152 0.000 1.315 538 Y HN 0.679 nan 8.280 nan 0.000 0.455 539 A N 2.144 125.030 122.820 0.111 0.000 2.360 539 A HA -0.264 4.056 4.320 -0.000 0.000 0.289 539 A C -0.323 177.392 177.584 0.218 0.000 1.437 539 A CA 1.001 53.081 52.037 0.071 0.000 0.734 539 A CB -2.531 16.344 19.000 -0.209 0.000 1.145 539 A HN 1.137 nan 8.150 nan 0.000 0.374 540 H N 0.580 119.823 119.070 0.287 0.000 3.248 540 H HA 0.174 4.730 4.556 -0.000 0.000 0.258 540 H C 1.242 176.652 175.328 0.137 0.000 0.923 540 H CA 0.812 57.045 56.048 0.308 0.000 1.416 540 H CB 0.333 30.172 29.762 0.128 0.000 1.523 540 H HN 0.861 nan 8.280 nan 0.000 0.528 541 A N 6.451 129.192 122.820 -0.132 0.000 2.543 541 A HA 0.034 4.354 4.320 -0.000 0.000 0.258 541 A C 0.966 178.399 177.584 -0.252 0.000 1.391 541 A CA -0.344 51.577 52.037 -0.192 0.000 1.066 541 A CB -0.573 18.301 19.000 -0.211 0.000 0.972 541 A HN 0.794 nan 8.150 nan 0.000 0.560 542 M N 1.526 120.953 119.600 -0.289 0.000 2.341 542 M HA 0.403 4.883 4.480 -0.000 0.000 0.336 542 M C 1.046 177.182 176.300 -0.273 0.000 1.489 542 M CA 1.270 56.410 55.300 -0.267 0.000 1.278 542 M CB -0.524 31.956 32.600 -0.201 0.000 1.657 542 M HN 0.803 nan 8.290 nan 0.000 0.455 543 G N 4.310 112.937 108.800 -0.288 0.000 2.527 543 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.268 543 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.268 543 G C -0.148 174.282 174.900 -0.782 0.000 1.175 543 G CA 0.021 44.792 45.100 -0.547 0.000 0.962 543 G HN 0.793 nan 8.290 nan 0.000 0.560 544 N N 1.524 119.581 118.700 -1.072 0.000 2.549 544 N HA 0.491 5.231 4.740 -0.000 0.000 0.267 544 N C 0.030 175.285 175.510 -0.424 0.000 1.182 544 N CA 1.122 53.708 53.050 -0.773 0.000 1.019 544 N CB 0.278 38.334 38.487 -0.717 0.000 1.380 544 N HN 0.741 nan 8.380 nan 0.000 0.505 545 S N 1.591 117.122 115.700 -0.281 0.000 2.998 545 S HA 0.619 5.089 4.470 -0.000 0.000 0.323 545 S C -0.019 174.504 174.600 -0.129 0.000 1.141 545 S CA -0.384 57.705 58.200 -0.186 0.000 0.873 545 S CB 0.287 63.399 63.200 -0.147 0.000 1.315 545 S HN 0.352 nan 8.310 nan 0.000 0.637 546 L N 0.103 121.279 121.223 -0.078 0.000 4.793 546 L HA -0.059 4.281 4.340 -0.000 0.000 0.404 546 L C 0.488 177.381 176.870 0.038 0.000 1.022 546 L CA 0.956 55.767 54.840 -0.048 0.000 1.242 546 L CB -1.807 40.142 42.059 -0.182 0.000 2.049 546 L HN 0.710 nan 8.230 nan 0.000 0.637 547 G N -0.876 107.922 108.800 -0.003 0.000 2.365 547 G HA2 0.482 4.442 3.960 -0.000 0.000 0.249 547 G HA3 0.482 4.442 3.960 -0.000 0.000 0.249 547 G C 1.247 176.192 174.900 0.076 0.000 1.288 547 G CA 0.219 45.303 45.100 -0.027 0.000 0.887 547 G HN 1.394 nan 8.290 nan 0.000 0.524 548 G N 1.814 110.669 108.800 0.092 0.000 2.213 548 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.236 548 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.236 548 G C 1.131 176.247 174.900 0.359 0.000 0.991 548 G CA 0.750 45.966 45.100 0.193 0.000 0.629 548 G HN 0.788 nan 8.290 nan 0.000 0.517 549 F N 2.197 122.283 119.950 0.227 0.000 2.085 549 F HA -0.038 4.489 4.527 0.000 0.000 0.299 549 F C 2.778 178.808 175.800 0.383 0.000 1.096 549 F CA 2.951 61.150 58.000 0.332 0.000 1.227 549 F CB -0.585 38.535 39.000 0.201 0.000 0.983 549 F HN 0.420 nan 8.300 nan 0.000 0.482 550 A N -0.441 122.546 122.820 0.279 0.000 1.978 550 A HA -0.235 4.085 4.320 -0.000 0.000 0.220 550 A C 2.312 179.918 177.584 0.037 0.000 1.170 550 A CA 1.747 53.869 52.037 0.142 0.000 0.636 550 A CB -0.749 18.339 19.000 0.147 0.000 0.810 550 A HN 0.439 nan 8.150 nan 0.000 0.448 551 K N -1.546 118.868 120.400 0.024 0.000 2.074 551 K HA -0.212 4.108 4.320 -0.000 0.000 0.209 551 K C 1.808 178.199 176.600 -0.349 0.000 1.048 551 K CA 2.047 58.261 56.287 -0.122 0.000 0.926 551 K CB -0.347 32.073 32.500 -0.133 0.000 0.713 551 K HN 0.671 nan 8.250 nan 0.000 0.444 552 Y N -0.954 119.076 120.300 -0.451 0.000 2.163 552 Y HA -0.240 4.310 4.550 -0.000 0.000 0.288 552 Y C 2.131 177.081 175.900 -1.584 0.000 1.136 552 Y CA 1.348 58.824 58.100 -1.041 0.000 1.147 552 Y CB -0.424 37.392 38.460 -1.073 0.000 0.987 552 Y HN 0.172 nan 8.280 nan 0.000 0.509 553 W N 0.618 121.490 121.300 -0.713 0.000 2.350 553 W HA -0.233 4.427 4.660 -0.000 0.000 0.289 553 W C 2.667 178.997 176.519 -0.314 0.000 1.215 553 W CA 1.938 58.977 57.345 -0.510 0.000 1.236 553 W CB -0.561 28.679 29.460 -0.367 0.000 1.130 553 W HN 0.167 nan 8.180 nan 0.000 0.541 554 Q N 0.483 120.183 119.800 -0.167 0.000 2.123 554 Q HA -0.138 4.202 4.340 -0.000 0.000 0.199 554 Q C 2.176 178.109 176.000 -0.112 0.000 0.966 554 Q CA 1.815 57.567 55.803 -0.085 0.000 0.845 554 Q CB -0.486 28.228 28.738 -0.039 0.000 0.907 554 Q HN 0.215 nan 8.270 nan 0.000 0.439 555 A N 0.752 123.410 122.820 -0.269 0.000 1.902 555 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 555 A C 1.935 179.488 177.584 -0.053 0.000 1.181 555 A CA 1.161 53.081 52.037 -0.195 0.000 0.623 555 A CB -1.111 17.647 19.000 -0.403 0.000 0.818 555 A HN 0.517 nan 8.150 nan 0.000 0.443 556 F N -0.289 119.495 119.950 -0.276 0.000 2.091 556 F HA -0.253 4.274 4.527 -0.000 0.000 0.299 556 F C 2.755 178.465 175.800 -0.151 0.000 1.103 556 F CA 1.294 59.101 58.000 -0.322 0.000 1.228 556 F CB -0.227 38.382 39.000 -0.650 0.000 0.984 556 F HN 0.151 nan 8.300 nan 0.000 0.477 557 R N 0.081 120.648 120.500 0.113 0.000 2.148 557 R HA -0.186 4.154 4.340 -0.000 0.000 0.227 557 R C 2.041 178.383 176.300 0.070 0.000 1.103 557 R CA 1.288 57.437 56.100 0.080 0.000 0.983 557 R CB -0.396 29.945 30.300 0.068 0.000 0.874 557 R HN 0.444 nan 8.270 nan 0.000 0.451 558 Q N -0.450 119.423 119.800 0.122 0.000 2.402 558 Q HA -0.013 4.327 4.340 -0.000 0.000 0.206 558 Q C -0.611 175.439 176.000 0.082 0.000 0.919 558 Q CA 0.488 56.351 55.803 0.100 0.000 0.923 558 Q CB 0.562 29.376 28.738 0.126 0.000 1.048 558 Q HN 0.179 nan 8.270 nan 0.000 0.515 559 Y N 0.494 120.778 120.300 -0.028 0.000 2.345 559 Y HA 0.314 4.864 4.550 0.000 0.000 0.331 559 Y C -1.792 174.083 175.900 -0.041 0.000 0.959 559 Y CA -2.909 55.173 58.100 -0.030 0.000 1.204 559 Y CB 1.551 39.996 38.460 -0.025 0.000 1.135 559 Y HN 0.069 nan 8.280 nan 0.000 0.477 560 P HA -0.246 nan 4.420 nan 0.000 0.217 560 P C 1.151 178.454 177.300 0.006 0.000 1.158 560 P CA 1.855 64.961 63.100 0.010 0.000 0.887 560 P CB 0.352 32.042 31.700 -0.016 0.000 0.792 561 R N -1.115 119.406 120.500 0.035 0.000 2.323 561 R HA 0.095 4.435 4.340 -0.000 0.000 0.198 561 R C 0.570 176.849 176.300 -0.036 0.000 0.988 561 R CA 0.145 56.245 56.100 0.000 0.000 1.041 561 R CB -0.481 29.828 30.300 0.015 0.000 0.926 561 R HN 0.288 nan 8.270 nan 0.000 0.476 562 L N 1.948 123.163 121.223 -0.013 0.000 2.282 562 L HA 0.154 4.494 4.340 -0.000 0.000 0.287 562 L C 0.671 177.397 176.870 -0.240 0.000 1.075 562 L CA 0.029 54.810 54.840 -0.098 0.000 0.839 562 L CB 1.270 43.338 42.059 0.014 0.000 1.219 562 L HN 0.001 nan 8.230 nan 0.000 0.434 563 Q N 2.901 122.497 119.800 -0.339 0.000 2.212 563 Q HA 0.341 4.681 4.340 -0.000 0.000 0.213 563 Q C 0.847 176.446 176.000 -0.668 0.000 0.874 563 Q CA 0.099 55.660 55.803 -0.404 0.000 0.965 563 Q CB 0.905 29.494 28.738 -0.249 0.000 1.074 563 Q HN 0.939 nan 8.270 nan 0.000 0.473 564 G N -0.328 107.714 108.800 -1.264 0.000 2.378 564 G HA2 0.154 4.114 3.960 -0.000 0.000 0.198 564 G HA3 0.154 4.114 3.960 -0.000 0.000 0.198 564 G C -0.365 173.777 174.900 -1.263 0.000 1.223 564 G CA -0.744 43.316 45.100 -1.734 0.000 1.088 564 G HN 0.586 nan 8.290 nan 0.000 0.530 565 G N -2.214 106.082 108.800 -0.840 0.000 2.349 565 G HA2 0.655 4.615 3.960 -0.000 0.000 0.294 565 G HA3 0.655 4.615 3.960 -0.000 0.000 0.294 565 G C -1.854 172.938 174.900 -0.181 0.000 1.380 565 G CA -0.308 44.500 45.100 -0.487 0.000 0.811 565 G HN 1.151 nan 8.290 nan 0.000 0.519 566 F N 0.494 120.679 119.950 0.392 0.000 2.449 566 F HA 0.551 5.078 4.527 -0.000 0.000 0.342 566 F C 0.715 176.823 175.800 0.513 0.000 1.127 566 F CA -0.802 57.463 58.000 0.441 0.000 0.975 566 F CB 2.157 41.316 39.000 0.264 0.000 1.146 566 F HN 0.266 nan 8.300 nan 0.000 0.444 567 V N 2.880 123.109 119.914 0.525 0.000 2.963 567 V HA -0.061 4.059 4.120 -0.000 0.000 0.306 567 V C -0.372 175.889 176.094 0.278 0.000 1.077 567 V CA -0.444 61.964 62.300 0.180 0.000 1.124 567 V CB 1.017 32.927 31.823 0.145 0.000 0.987 567 V HN 0.786 nan 8.190 nan 0.000 0.487 568 W N 5.996 127.362 121.300 0.111 0.000 2.336 568 W HA 0.470 5.130 4.660 -0.000 0.000 0.315 568 W C -1.055 175.490 176.519 0.042 0.000 1.016 568 W CA -0.656 56.795 57.345 0.176 0.000 1.318 568 W CB 1.420 31.128 29.460 0.412 0.000 1.247 568 W HN 0.924 nan 8.180 nan 0.000 0.414 569 D N 2.600 122.645 120.400 -0.592 0.000 2.812 569 D HA 0.113 4.753 4.640 -0.000 0.000 0.318 569 D C 0.781 176.864 176.300 -0.362 0.000 1.234 569 D CA -0.552 53.007 54.000 -0.736 0.000 0.989 569 D CB 0.238 40.051 40.800 -1.645 0.000 1.442 569 D HN 0.407 nan 8.370 nan 0.000 0.537 570 W N 0.560 121.553 121.300 -0.511 0.000 2.348 570 W HA 0.034 4.694 4.660 0.000 0.000 0.324 570 W C -0.068 176.224 176.519 -0.378 0.000 1.209 570 W CA 1.485 58.585 57.345 -0.409 0.000 1.275 570 W CB 0.114 29.367 29.460 -0.345 0.000 1.175 570 W HN 0.203 nan 8.180 nan 0.000 0.461 571 V N 0.912 120.623 119.914 -0.338 0.000 2.919 571 V HA 0.296 4.416 4.120 -0.000 0.000 0.316 571 V C -0.448 175.452 176.094 -0.323 0.000 1.077 571 V CA -1.107 60.931 62.300 -0.436 0.000 0.977 571 V CB 1.349 33.050 31.823 -0.203 0.000 1.039 571 V HN -0.084 nan 8.190 nan 0.000 0.441 572 D N 1.579 121.808 120.400 -0.286 0.000 2.382 572 D HA 0.171 4.811 4.640 -0.000 0.000 0.245 572 D C -0.024 176.129 176.300 -0.244 0.000 1.120 572 D CA 0.203 54.082 54.000 -0.202 0.000 0.890 572 D CB 1.350 42.120 40.800 -0.050 0.000 1.201 572 D HN 0.607 nan 8.370 nan 0.000 0.433 573 Q N 0.996 120.585 119.800 -0.350 0.000 3.207 573 Q HA 0.154 4.494 4.340 -0.000 0.000 0.335 573 Q C -0.349 175.602 176.000 -0.083 0.000 1.374 573 Q CA -0.343 55.043 55.803 -0.695 0.000 1.023 573 Q CB 0.246 28.651 28.738 -0.556 0.000 1.576 573 Q HN 0.355 nan 8.270 nan 0.000 0.515 574 S N 0.023 115.803 115.700 0.133 0.000 2.549 574 S HA 0.698 5.168 4.470 -0.000 0.000 0.297 574 S C -0.283 174.492 174.600 0.292 0.000 1.115 574 S CA -0.815 57.568 58.200 0.305 0.000 1.059 574 S CB 1.562 64.907 63.200 0.243 0.000 1.046 574 S HN 0.318 nan 8.310 nan 0.000 0.506 575 L N 1.772 123.087 121.223 0.152 0.000 2.322 575 L HA 0.612 4.952 4.340 -0.000 0.000 0.269 575 L C -0.430 176.338 176.870 -0.170 0.000 1.012 575 L CA -1.136 53.664 54.840 -0.067 0.000 0.815 575 L CB 1.428 43.331 42.059 -0.260 0.000 1.295 575 L HN 0.630 nan 8.230 nan 0.000 0.438 576 I N 1.339 121.750 120.570 -0.265 0.000 2.440 576 I HA 0.297 4.467 4.170 -0.000 0.000 0.294 576 I C -0.015 175.709 176.117 -0.654 0.000 0.995 576 I CA 0.009 61.023 61.300 -0.477 0.000 1.306 576 I CB 1.076 38.819 38.000 -0.428 0.000 1.407 576 I HN 0.511 nan 8.210 nan 0.000 0.501 577 K N 4.231 123.937 120.400 -1.157 0.000 2.466 577 K HA 0.584 4.904 4.320 -0.000 0.000 0.260 577 K C -1.782 174.078 176.600 -1.235 0.000 1.011 577 K CA -0.874 54.710 56.287 -1.171 0.000 0.871 577 K CB 2.338 33.884 32.500 -1.590 0.000 1.404 577 K HN 0.257 nan 8.250 nan 0.000 0.450 578 Y N 0.473 120.620 120.300 -0.254 0.000 2.499 578 Y HA 0.180 4.730 4.550 -0.000 0.000 0.347 578 Y C -0.077 176.006 175.900 0.304 0.000 0.987 578 Y CA -1.089 57.046 58.100 0.059 0.000 1.044 578 Y CB 1.375 39.845 38.460 0.015 0.000 1.245 578 Y HN 0.647 nan 8.280 nan 0.000 0.461 579 D N 0.105 120.799 120.400 0.490 0.000 2.388 579 D HA 0.055 4.695 4.640 -0.000 0.000 0.254 579 D C 0.966 177.389 176.300 0.204 0.000 1.111 579 D CA -0.568 53.610 54.000 0.298 0.000 0.993 579 D CB 0.691 41.594 40.800 0.172 0.000 1.118 579 D HN 0.629 nan 8.370 nan 0.000 0.502 580 E N 0.869 121.139 120.200 0.117 0.000 2.219 580 E HA -0.265 4.085 4.350 -0.000 0.000 0.198 580 E C 0.215 176.852 176.600 0.063 0.000 0.998 580 E CA 1.090 57.532 56.400 0.070 0.000 0.818 580 E CB -0.799 28.923 29.700 0.037 0.000 0.741 580 E HN 0.484 nan 8.360 nan 0.000 0.477 581 N N 1.122 119.869 118.700 0.077 0.000 2.421 581 N HA 0.125 4.865 4.740 -0.000 0.000 0.201 581 N C 0.846 176.409 175.510 0.089 0.000 1.198 581 N CA 0.837 53.926 53.050 0.066 0.000 0.838 581 N CB 0.253 38.773 38.487 0.056 0.000 1.011 581 N HN 0.411 nan 8.380 nan 0.000 0.463 582 G N 0.681 109.550 108.800 0.116 0.000 2.249 582 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.273 582 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.273 582 G C -0.439 174.640 174.900 0.299 0.000 1.036 582 G CA -0.265 44.910 45.100 0.124 0.000 0.824 582 G HN 0.305 nan 8.290 nan 0.000 0.504 583 N N 1.112 120.010 118.700 0.331 0.000 2.438 583 N HA 0.500 5.240 4.740 -0.000 0.000 0.282 583 N C -2.471 173.234 175.510 0.325 0.000 1.037 583 N CA -1.490 51.746 53.050 0.309 0.000 0.942 583 N CB 2.058 40.666 38.487 0.203 0.000 1.136 583 N HN 0.140 nan 8.380 nan 0.000 0.481 584 P HA 0.327 nan 4.420 nan 0.000 0.284 584 P C -0.585 176.641 177.300 -0.124 0.000 1.253 584 P CA -0.366 62.475 63.100 -0.432 0.000 0.800 584 P CB 0.674 32.161 31.700 -0.355 0.000 0.961 585 W N -0.214 120.827 121.300 -0.432 0.000 3.296 585 W HA 0.371 5.031 4.660 -0.000 0.000 0.314 585 W C -1.475 174.847 176.519 -0.328 0.000 1.238 585 W CA -0.995 56.123 57.345 -0.379 0.000 1.193 585 W CB 0.195 29.290 29.460 -0.608 0.000 1.383 585 W HN 0.140 nan 8.180 nan 0.000 0.545 586 S N 1.934 117.635 115.700 0.002 0.000 2.488 586 S HA 0.538 5.008 4.470 -0.000 0.000 0.278 586 S C 0.264 174.967 174.600 0.172 0.000 1.259 586 S CA -0.159 58.053 58.200 0.021 0.000 1.061 586 S CB 0.889 64.164 63.200 0.125 0.000 0.910 586 S HN 0.655 nan 8.310 nan 0.000 0.491 587 A N 2.819 125.619 122.820 -0.032 0.000 2.311 587 A HA 0.897 5.217 4.320 -0.000 0.000 0.334 587 A C -0.621 177.222 177.584 0.431 0.000 1.139 587 A CA -0.789 51.297 52.037 0.083 0.000 0.830 587 A CB 0.716 19.543 19.000 -0.289 0.000 1.234 587 A HN 0.878 nan 8.150 nan 0.000 0.483 588 Y N -1.101 119.526 120.300 0.545 0.000 2.974 588 Y HA 0.749 5.299 4.550 0.000 0.000 0.310 588 Y C 0.592 176.833 175.900 0.567 0.000 1.526 588 Y CA -1.326 57.077 58.100 0.505 0.000 1.087 588 Y CB -0.035 38.542 38.460 0.194 0.000 1.404 588 Y HN 0.999 nan 8.280 nan 0.000 0.491 589 G N 0.084 109.265 108.800 0.635 0.000 2.187 589 G HA2 0.356 4.316 3.960 -0.000 0.000 0.239 589 G HA3 0.356 4.316 3.960 -0.000 0.000 0.239 589 G C 1.027 176.263 174.900 0.559 0.000 1.200 589 G CA 0.572 45.991 45.100 0.531 0.000 0.888 589 G HN 2.040 nan 8.290 nan 0.000 0.482 590 G N 2.306 111.400 108.800 0.491 0.000 2.234 590 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.260 590 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.260 590 G C 0.916 176.032 174.900 0.361 0.000 0.987 590 G CA 0.765 46.095 45.100 0.383 0.000 0.625 590 G HN 0.671 nan 8.290 nan 0.000 0.532 591 D N -0.326 120.326 120.400 0.420 0.000 2.378 591 D HA 0.110 4.750 4.640 -0.000 0.000 0.222 591 D C 1.262 177.458 176.300 -0.174 0.000 0.980 591 D CA 0.625 54.714 54.000 0.148 0.000 0.907 591 D CB -0.207 40.640 40.800 0.078 0.000 0.899 591 D HN 0.479 nan 8.370 nan 0.000 0.527 592 F N -1.041 119.030 119.950 0.203 0.000 2.735 592 F HA 0.332 4.859 4.527 0.000 0.000 0.304 592 F C 1.745 177.635 175.800 0.150 0.000 1.119 592 F CA -0.359 57.726 58.000 0.141 0.000 1.280 592 F CB 0.517 39.592 39.000 0.126 0.000 0.994 592 F HN -0.078 nan 8.300 nan 0.000 0.520 593 G N 0.600 109.562 108.800 0.271 0.000 2.175 593 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.265 593 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.265 593 G C -0.066 174.979 174.900 0.242 0.000 0.979 593 G CA 0.323 45.550 45.100 0.212 0.000 0.663 593 G HN 0.461 nan 8.290 nan 0.000 0.533 594 D N 0.532 121.131 120.400 0.332 0.000 2.450 594 D HA 0.402 5.042 4.640 -0.000 0.000 0.247 594 D C -0.015 176.418 176.300 0.221 0.000 1.162 594 D CA 0.656 54.839 54.000 0.304 0.000 0.879 594 D CB 1.129 42.171 40.800 0.403 0.000 1.163 594 D HN 0.072 nan 8.370 nan 0.000 0.472 595 T N 2.389 117.041 114.554 0.164 0.000 2.952 595 T HA 0.460 4.810 4.350 -0.000 0.000 0.305 595 T C -2.358 172.384 174.700 0.069 0.000 1.064 595 T CA -0.945 61.219 62.100 0.107 0.000 1.008 595 T CB 2.002 70.928 68.868 0.097 0.000 1.078 595 T HN 0.389 nan 8.240 nan 0.000 0.459 596 P HA 0.530 nan 4.420 nan 0.000 0.279 596 P C -1.098 176.192 177.300 -0.017 0.000 1.276 596 P CA -0.665 62.437 63.100 0.002 0.000 0.801 596 P CB 0.749 32.423 31.700 -0.043 0.000 1.127 597 N N -1.282 117.408 118.700 -0.016 0.000 2.732 597 N HA 0.161 4.901 4.740 -0.000 0.000 0.259 597 N C -1.272 174.202 175.510 -0.060 0.000 1.402 597 N CA -0.546 52.479 53.050 -0.041 0.000 0.829 597 N CB 1.318 39.879 38.487 0.124 0.000 1.495 597 N HN 0.211 nan 8.380 nan 0.000 0.511 598 D N 0.211 120.552 120.400 -0.098 0.000 2.772 598 D HA 0.148 4.788 4.640 -0.000 0.000 0.272 598 D C 0.595 177.125 176.300 0.384 0.000 1.314 598 D CA -0.218 53.800 54.000 0.031 0.000 0.835 598 D CB 0.847 41.491 40.800 -0.260 0.000 1.080 598 D HN 0.590 nan 8.370 nan 0.000 0.482 599 R N 0.294 120.996 120.500 0.337 0.000 3.587 599 R HA -0.366 3.974 4.340 -0.000 0.000 0.556 599 R C 0.945 177.241 176.300 -0.006 0.000 0.241 599 R CA 1.455 57.725 56.100 0.285 0.000 1.724 599 R CB -1.359 29.017 30.300 0.127 0.000 0.885 599 R HN 0.067 nan 8.270 nan 0.000 0.613 600 Q N 0.642 120.124 119.800 -0.529 0.000 2.437 600 Q HA 0.104 4.444 4.340 -0.000 0.000 0.210 600 Q C 1.810 177.526 176.000 -0.474 0.000 0.972 600 Q CA 1.534 56.864 55.803 -0.789 0.000 0.903 600 Q CB -0.223 27.921 28.738 -0.990 0.000 0.967 600 Q HN 0.436 nan 8.270 nan 0.000 0.486 601 F N 0.680 120.527 119.950 -0.172 0.000 2.271 601 F HA -0.251 4.276 4.527 -0.000 0.000 0.302 601 F C 1.876 177.625 175.800 -0.086 0.000 1.063 601 F CA 1.043 59.031 58.000 -0.020 0.000 1.362 601 F CB -0.442 38.611 39.000 0.087 0.000 1.060 601 F HN 0.325 nan 8.300 nan 0.000 0.521 602 C N -1.377 117.668 119.300 -0.424 0.000 2.539 602 C HA 0.180 4.640 4.460 -0.000 0.000 0.271 602 C C 1.002 175.795 174.990 -0.327 0.000 1.412 602 C CA -0.485 58.135 59.018 -0.663 0.000 1.729 602 C CB -1.894 24.945 27.740 -1.502 0.000 1.739 602 C HN 0.204 nan 8.230 nan 0.000 0.570 603 M N 3.157 122.604 119.600 -0.255 0.000 2.060 603 M HA 0.321 4.801 4.480 -0.000 0.000 0.342 603 M C -0.433 175.752 176.300 -0.191 0.000 1.031 603 M CA 0.233 55.414 55.300 -0.197 0.000 0.981 603 M CB 0.393 32.901 32.600 -0.155 0.000 1.376 603 M HN 0.274 nan 8.290 nan 0.000 0.397 604 N N 1.557 120.142 118.700 -0.191 0.000 2.307 604 N HA 0.168 4.908 4.740 -0.000 0.000 0.248 604 N C 0.176 175.482 175.510 -0.341 0.000 1.322 604 N CA -0.127 52.771 53.050 -0.252 0.000 0.861 604 N CB 1.298 39.692 38.487 -0.155 0.000 1.303 604 N HN 0.669 nan 8.380 nan 0.000 0.498 605 G N 0.035 108.596 108.800 -0.399 0.000 2.528 605 G HA2 0.471 4.431 3.960 -0.000 0.000 0.289 605 G HA3 0.471 4.431 3.960 -0.000 0.000 0.289 605 G C 0.880 175.315 174.900 -0.774 0.000 1.192 605 G CA -0.505 44.260 45.100 -0.557 0.000 0.921 605 G HN 0.102 nan 8.290 nan 0.000 0.512 606 L N -0.414 120.351 121.223 -0.765 0.000 2.446 606 L HA 0.165 4.505 4.340 -0.000 0.000 0.219 606 L C 0.689 176.917 176.870 -1.071 0.000 1.116 606 L CA 0.237 54.628 54.840 -0.749 0.000 0.844 606 L CB -0.145 41.642 42.059 -0.454 0.000 0.970 606 L HN 0.378 nan 8.230 nan 0.000 0.457 607 V N -5.233 113.943 119.914 -1.230 0.000 3.040 607 V HA 0.471 4.591 4.120 -0.000 0.000 0.312 607 V C -0.428 175.194 176.094 -0.786 0.000 1.115 607 V CA -1.242 60.470 62.300 -0.981 0.000 0.998 607 V CB 1.709 33.011 31.823 -0.868 0.000 1.042 607 V HN -0.136 nan 8.190 nan 0.000 0.433 608 F N 1.248 121.059 119.950 -0.231 0.000 2.444 608 F HA 0.558 5.085 4.527 0.000 0.000 0.331 608 F C 1.941 177.650 175.800 -0.151 0.000 1.167 608 F CA 0.373 58.345 58.000 -0.046 0.000 1.262 608 F CB 1.405 40.411 39.000 0.010 0.000 1.196 608 F HN 0.813 nan 8.300 nan 0.000 0.583 609 A N 1.214 124.112 122.820 0.132 0.000 1.997 609 A HA -0.293 4.027 4.320 -0.000 0.000 0.221 609 A C 1.611 179.158 177.584 -0.063 0.000 1.172 609 A CA 2.180 54.230 52.037 0.022 0.000 0.645 609 A CB -1.147 17.895 19.000 0.071 0.000 0.813 609 A HN 0.879 nan 8.150 nan 0.000 0.454 610 D N -2.895 117.490 120.400 -0.026 0.000 2.378 610 D HA 0.118 4.758 4.640 -0.000 0.000 0.227 610 D C 0.636 176.914 176.300 -0.037 0.000 1.012 610 D CA 0.360 54.321 54.000 -0.066 0.000 0.905 610 D CB -0.142 40.623 40.800 -0.057 0.000 0.895 610 D HN 0.255 nan 8.370 nan 0.000 0.532 611 R N -1.030 119.449 120.500 -0.036 0.000 3.515 611 R HA -0.109 4.231 4.340 -0.000 0.000 0.292 611 R C -0.782 175.505 176.300 -0.022 0.000 1.148 611 R CA 1.039 57.097 56.100 -0.071 0.000 0.786 611 R CB -3.108 27.180 30.300 -0.019 0.000 1.327 611 R HN 0.548 nan 8.270 nan 0.000 0.454 612 T N -2.139 112.463 114.554 0.079 0.000 2.779 612 T HA 0.718 5.068 4.350 -0.000 0.000 0.280 612 T C -2.470 172.373 174.700 0.238 0.000 0.987 612 T CA -2.422 59.772 62.100 0.156 0.000 0.966 612 T CB 2.432 71.387 68.868 0.145 0.000 0.933 612 T HN -0.174 nan 8.240 nan 0.000 0.442 613 P HA 0.093 nan 4.420 nan 0.000 0.267 613 P C -0.180 177.163 177.300 0.072 0.000 1.200 613 P CA -0.008 63.077 63.100 -0.026 0.000 0.772 613 P CB 0.249 31.948 31.700 -0.002 0.000 0.855 614 H N 2.931 121.798 119.070 -0.337 0.000 2.508 614 H HA 0.165 4.721 4.556 -0.000 0.000 0.344 614 H C -1.191 174.029 175.328 -0.180 0.000 1.192 614 H CA -2.122 53.712 56.048 -0.356 0.000 1.290 614 H CB 0.862 30.380 29.762 -0.406 0.000 1.571 614 H HN 0.308 nan 8.280 nan 0.000 0.555 615 P HA -0.137 nan 4.420 nan 0.000 0.218 615 P C 1.249 178.546 177.300 -0.006 0.000 1.149 615 P CA 1.275 64.361 63.100 -0.024 0.000 0.817 615 P CB -0.052 31.625 31.700 -0.038 0.000 0.785 616 A N 0.189 123.007 122.820 -0.004 0.000 1.958 616 A HA -0.225 4.095 4.320 -0.000 0.000 0.221 616 A C 2.153 179.686 177.584 -0.085 0.000 1.178 616 A CA 1.687 53.687 52.037 -0.061 0.000 0.642 616 A CB -1.751 17.189 19.000 -0.100 0.000 0.816 616 A HN 0.167 nan 8.150 nan 0.000 0.453 617 L N 0.016 121.203 121.223 -0.060 0.000 2.089 617 L HA -0.208 4.132 4.340 -0.000 0.000 0.213 617 L C 2.493 179.398 176.870 0.057 0.000 1.079 617 L CA 2.835 57.670 54.840 -0.008 0.000 0.758 617 L CB -1.011 41.042 42.059 -0.009 0.000 0.891 617 L HN 0.451 nan 8.230 nan 0.000 0.433 618 T N -1.332 113.260 114.554 0.065 0.000 2.708 618 T HA -0.208 4.142 4.350 -0.000 0.000 0.266 618 T C 1.714 176.514 174.700 0.168 0.000 1.037 618 T CA 1.359 63.548 62.100 0.149 0.000 1.146 618 T CB -0.238 68.702 68.868 0.120 0.000 0.865 618 T HN 0.364 nan 8.240 nan 0.000 0.435 619 E N 1.544 121.793 120.200 0.081 0.000 2.085 619 E HA -0.120 4.230 4.350 -0.000 0.000 0.194 619 E C 2.235 178.862 176.600 0.046 0.000 0.994 619 E CA 1.407 57.864 56.400 0.096 0.000 0.801 619 E CB -0.567 29.153 29.700 0.034 0.000 0.743 619 E HN 0.454 nan 8.360 nan 0.000 0.453 620 A N 0.994 123.740 122.820 -0.123 0.000 1.865 620 A HA -0.285 4.035 4.320 -0.000 0.000 0.217 620 A C 2.188 179.694 177.584 -0.128 0.000 1.191 620 A CA 2.216 54.157 52.037 -0.161 0.000 0.623 620 A CB -0.775 18.115 19.000 -0.184 0.000 0.826 620 A HN 0.311 nan 8.150 nan 0.000 0.444 621 K N -1.296 119.092 120.400 -0.020 0.000 2.044 621 K HA -0.311 4.009 4.320 -0.000 0.000 0.210 621 K C 2.065 178.577 176.600 -0.148 0.000 1.049 621 K CA 2.163 58.439 56.287 -0.017 0.000 0.927 621 K CB -0.381 32.242 32.500 0.206 0.000 0.713 621 K HN 0.649 nan 8.250 nan 0.000 0.443 622 H N 0.430 119.347 119.070 -0.256 0.000 2.293 622 H HA -0.057 4.499 4.556 -0.000 0.000 0.300 622 H C 1.948 176.996 175.328 -0.467 0.000 1.082 622 H CA 1.990 57.690 56.048 -0.580 0.000 1.308 622 H CB -0.109 29.348 29.762 -0.508 0.000 1.375 622 H HN 0.248 nan 8.280 nan 0.000 0.495 623 Q N 0.247 119.750 119.800 -0.495 0.000 2.291 623 Q HA -0.116 4.224 4.340 -0.000 0.000 0.206 623 Q C 1.722 177.168 176.000 -0.923 0.000 0.976 623 Q CA 1.352 56.773 55.803 -0.636 0.000 0.875 623 Q CB -0.042 28.436 28.738 -0.433 0.000 0.927 623 Q HN 0.727 nan 8.270 nan 0.000 0.450 624 Q N 0.571 119.833 119.800 -0.897 0.000 2.319 624 Q HA 0.038 4.378 4.340 -0.000 0.000 0.202 624 Q C 0.066 175.512 176.000 -0.924 0.000 0.896 624 Q CA -0.265 54.884 55.803 -1.089 0.000 0.942 624 Q CB 0.303 28.423 28.738 -1.029 0.000 1.083 624 Q HN 0.465 nan 8.270 nan 0.000 0.510 625 Q N -0.417 118.980 119.800 -0.672 0.000 2.414 625 Q HA -0.060 4.280 4.340 -0.000 0.000 0.288 625 Q C -0.240 175.345 176.000 -0.691 0.000 1.086 625 Q CA 0.408 55.915 55.803 -0.493 0.000 0.943 625 Q CB 0.301 28.907 28.738 -0.221 0.000 1.282 625 Q HN 0.186 nan 8.270 nan 0.000 0.438 626 F N -0.153 119.542 119.950 -0.426 0.000 2.797 626 F HA 0.264 4.791 4.527 -0.000 0.000 0.302 626 F C -0.130 175.106 175.800 -0.939 0.000 1.130 626 F CA 0.013 57.519 58.000 -0.824 0.000 1.387 626 F CB 0.429 38.582 39.000 -1.412 0.000 1.107 626 F HN 0.344 nan 8.300 nan 0.000 0.577 627 F N 0.071 119.913 119.950 -0.180 0.000 2.532 627 F HA 0.489 5.016 4.527 -0.000 0.000 0.321 627 F C -0.234 175.231 175.800 -0.558 0.000 1.089 627 F CA -1.077 56.730 58.000 -0.321 0.000 0.926 627 F CB 1.368 40.199 39.000 -0.282 0.000 1.168 627 F HN -0.330 nan 8.300 nan 0.000 0.459 628 Q N 3.083 122.611 119.800 -0.453 0.000 2.353 628 Q HA 0.513 4.853 4.340 -0.000 0.000 0.268 628 Q C -1.457 174.199 176.000 -0.573 0.000 1.045 628 Q CA -0.642 54.894 55.803 -0.444 0.000 0.811 628 Q CB 3.052 31.682 28.738 -0.179 0.000 1.305 628 Q HN 0.539 nan 8.270 nan 0.000 0.447 629 F N 0.466 120.540 119.950 0.208 0.000 2.522 629 F HA 0.610 5.137 4.527 -0.000 0.000 0.324 629 F C 0.550 176.585 175.800 0.392 0.000 1.077 629 F CA -0.843 57.356 58.000 0.332 0.000 0.944 629 F CB 1.904 41.222 39.000 0.531 0.000 1.175 629 F HN 0.114 nan 8.300 nan 0.000 0.468 630 R N 1.760 122.570 120.500 0.517 0.000 2.628 630 R HA 0.624 4.964 4.340 -0.000 0.000 0.288 630 R C -2.005 174.359 176.300 0.107 0.000 0.980 630 R CA -1.174 55.127 56.100 0.334 0.000 0.891 630 R CB 2.667 33.071 30.300 0.174 0.000 1.188 630 R HN 0.554 nan 8.270 nan 0.000 0.450 631 L N 1.376 122.549 121.223 -0.083 0.000 2.333 631 L HA 0.487 4.827 4.340 -0.000 0.000 0.280 631 L C -1.009 175.710 176.870 -0.251 0.000 1.004 631 L CA 0.087 54.652 54.840 -0.457 0.000 0.820 631 L CB 1.947 43.285 42.059 -1.201 0.000 1.247 631 L HN 0.484 nan 8.230 nan 0.000 0.416 632 S N 3.785 119.359 115.700 -0.210 0.000 2.789 632 S HA 0.669 5.139 4.470 -0.000 0.000 0.286 632 S C 0.448 174.962 174.600 -0.143 0.000 1.153 632 S CA 0.201 58.319 58.200 -0.137 0.000 1.084 632 S CB 0.254 63.408 63.200 -0.076 0.000 1.036 632 S HN 1.460 nan 8.310 nan 0.000 0.484 633 G N 4.316 113.030 108.800 -0.144 0.000 2.620 633 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.315 633 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.315 633 G C 0.437 175.236 174.900 -0.169 0.000 1.179 633 G CA 0.716 45.737 45.100 -0.132 0.000 0.971 633 G HN 0.652 nan 8.290 nan 0.000 0.544 634 Q N 1.345 121.054 119.800 -0.151 0.000 2.198 634 Q HA 0.215 4.555 4.340 -0.000 0.000 0.209 634 Q C 0.013 175.898 176.000 -0.192 0.000 0.848 634 Q CA 0.668 56.362 55.803 -0.181 0.000 0.974 634 Q CB 0.842 29.491 28.738 -0.149 0.000 1.115 634 Q HN 0.569 nan 8.270 nan 0.000 0.494 635 T N 0.812 115.263 114.554 -0.171 0.000 2.797 635 T HA 0.538 4.888 4.350 -0.000 0.000 0.279 635 T C 0.082 174.686 174.700 -0.161 0.000 0.991 635 T CA -0.390 61.625 62.100 -0.142 0.000 0.979 635 T CB 1.577 70.393 68.868 -0.087 0.000 0.943 635 T HN 0.020 nan 8.240 nan 0.000 0.444 636 I N 2.405 122.904 120.570 -0.119 0.000 2.336 636 I HA 0.327 4.497 4.170 -0.000 0.000 0.292 636 I C 0.477 176.625 176.117 0.053 0.000 0.991 636 I CA -0.662 60.600 61.300 -0.064 0.000 1.227 636 I CB 1.423 39.416 38.000 -0.012 0.000 1.366 636 I HN 0.625 nan 8.210 nan 0.000 0.466 637 E N 6.511 126.768 120.200 0.095 0.000 2.156 637 E HA 0.493 4.843 4.350 -0.000 0.000 0.279 637 E C -1.545 175.161 176.600 0.177 0.000 0.965 637 E CA -0.588 55.880 56.400 0.112 0.000 0.789 637 E CB 1.608 31.354 29.700 0.076 0.000 1.098 637 E HN 0.363 nan 8.360 nan 0.000 0.397 638 V N 3.638 123.631 119.914 0.132 0.000 2.555 638 V HA 0.418 4.538 4.120 -0.000 0.000 0.302 638 V C -0.159 175.954 176.094 0.031 0.000 1.038 638 V CA -0.703 61.641 62.300 0.072 0.000 0.887 638 V CB 1.913 33.810 31.823 0.123 0.000 0.991 638 V HN 0.726 nan 8.190 nan 0.000 0.434 639 T N 2.545 117.075 114.554 -0.040 0.000 2.861 639 T HA 0.386 4.736 4.350 -0.000 0.000 0.287 639 T C -0.298 174.396 174.700 -0.010 0.000 1.003 639 T CA -0.369 61.722 62.100 -0.015 0.000 0.977 639 T CB 1.689 70.529 68.868 -0.046 0.000 0.996 639 T HN 0.680 nan 8.240 nan 0.000 0.448 640 S N 1.552 117.253 115.700 0.002 0.000 2.457 640 S HA 0.241 4.711 4.470 -0.000 0.000 0.289 640 S C 0.641 175.133 174.600 -0.181 0.000 1.163 640 S CA -0.586 57.560 58.200 -0.091 0.000 1.078 640 S CB 0.490 63.709 63.200 0.031 0.000 0.987 640 S HN 0.697 nan 8.310 nan 0.000 0.482 641 E N 3.430 123.423 120.200 -0.344 0.000 2.451 641 E HA 0.094 4.444 4.350 -0.000 0.000 0.194 641 E C -0.860 175.592 176.600 -0.247 0.000 1.027 641 E CA -0.069 56.172 56.400 -0.266 0.000 0.914 641 E CB 0.334 29.862 29.700 -0.286 0.000 1.054 641 E HN 0.677 nan 8.360 nan 0.000 0.461 642 Y N 0.328 120.519 120.300 -0.182 0.000 2.309 642 Y HA 0.102 4.652 4.550 -0.000 0.000 0.327 642 Y C 1.401 177.138 175.900 -0.272 0.000 1.172 642 Y CA -0.308 57.656 58.100 -0.225 0.000 1.280 642 Y CB 0.997 39.301 38.460 -0.260 0.000 1.234 642 Y HN -0.033 nan 8.280 nan 0.000 0.512 643 L N 1.435 122.495 121.223 -0.272 0.000 2.408 643 L HA 0.062 4.402 4.340 -0.000 0.000 0.215 643 L C 0.666 177.078 176.870 -0.765 0.000 1.081 643 L CA 0.745 55.171 54.840 -0.690 0.000 0.840 643 L CB 0.050 41.291 42.059 -1.365 0.000 1.002 643 L HN 0.672 nan 8.230 nan 0.000 0.468 644 F N -0.399 119.558 119.950 0.011 0.000 2.747 644 F HA 0.198 4.725 4.527 -0.000 0.000 0.305 644 F C 1.388 177.159 175.800 -0.048 0.000 1.065 644 F CA -0.806 57.173 58.000 -0.035 0.000 1.230 644 F CB 0.361 39.316 39.000 -0.076 0.000 1.027 644 F HN -0.107 nan 8.300 nan 0.000 0.607 645 R N -0.073 120.454 120.500 0.044 0.000 2.607 645 R HA 0.509 4.849 4.340 -0.000 0.000 0.261 645 R C -1.118 175.184 176.300 0.002 0.000 1.051 645 R CA -0.665 55.410 56.100 -0.043 0.000 1.110 645 R CB 0.661 30.834 30.300 -0.211 0.000 1.158 645 R HN 0.055 nan 8.270 nan 0.000 0.543 646 H N -0.413 118.628 119.070 -0.048 0.000 2.502 646 H HA 0.200 4.756 4.556 -0.000 0.000 0.338 646 H C -0.309 175.038 175.328 0.033 0.000 1.155 646 H CA -0.476 55.584 56.048 0.019 0.000 1.237 646 H CB 1.542 31.322 29.762 0.031 0.000 1.534 646 H HN 0.745 nan 8.280 nan 0.000 0.523 647 S N 2.300 117.809 115.700 -0.319 0.000 3.988 647 S HA -0.069 4.401 4.470 -0.000 0.000 0.180 647 S C 0.175 174.859 174.600 0.139 0.000 1.242 647 S CA 0.014 58.227 58.200 0.022 0.000 0.947 647 S CB -0.984 62.230 63.200 0.023 0.000 1.519 647 S HN 0.722 nan 8.310 nan 0.000 0.439 648 D N 0.304 120.807 120.400 0.171 0.000 2.319 648 D HA 0.032 4.672 4.640 -0.000 0.000 0.230 648 D C 0.423 176.783 176.300 0.101 0.000 1.094 648 D CA -0.200 53.901 54.000 0.168 0.000 0.856 648 D CB -0.232 40.658 40.800 0.151 0.000 0.915 648 D HN 0.465 nan 8.370 nan 0.000 0.517 649 N N 0.012 118.770 118.700 0.097 0.000 2.622 649 N HA 0.120 4.860 4.740 -0.000 0.000 0.293 649 N C -1.546 174.018 175.510 0.090 0.000 1.788 649 N CA -0.233 52.864 53.050 0.078 0.000 0.860 649 N CB 0.299 38.821 38.487 0.059 0.000 1.388 649 N HN -0.052 nan 8.380 nan 0.000 0.496 650 E N 0.107 120.355 120.200 0.080 0.000 2.246 650 E HA 0.435 4.785 4.350 -0.000 0.000 0.266 650 E C -1.524 175.094 176.600 0.030 0.000 0.880 650 E CA -0.604 55.824 56.400 0.046 0.000 0.762 650 E CB 1.922 31.622 29.700 0.000 0.000 1.180 650 E HN 0.064 nan 8.360 nan 0.000 0.416 651 L N 3.536 124.769 121.223 0.017 0.000 2.341 651 L HA 0.545 4.885 4.340 -0.000 0.000 0.278 651 L C -1.470 175.425 176.870 0.042 0.000 1.005 651 L CA -0.924 53.944 54.840 0.046 0.000 0.818 651 L CB 1.522 43.609 42.059 0.047 0.000 1.259 651 L HN 0.595 nan 8.230 nan 0.000 0.418 652 L N 5.071 126.380 121.223 0.142 0.000 2.276 652 L HA 0.452 4.792 4.340 -0.000 0.000 0.286 652 L C -0.703 176.374 176.870 0.346 0.000 1.024 652 L CA 0.040 54.994 54.840 0.191 0.000 0.826 652 L CB 0.446 42.624 42.059 0.199 0.000 1.211 652 L HN 0.584 nan 8.230 nan 0.000 0.422 653 H N 5.807 124.925 119.070 0.080 0.000 2.467 653 H HA 0.384 4.940 4.556 -0.000 0.000 0.326 653 H C -1.120 174.268 175.328 0.100 0.000 1.094 653 H CA -0.736 55.315 56.048 0.006 0.000 1.253 653 H CB 0.946 30.683 29.762 -0.042 0.000 1.439 653 H HN 0.704 nan 8.280 nan 0.000 0.479 654 W N 3.605 124.977 121.300 0.118 0.000 2.929 654 W HA 0.589 5.249 4.660 0.000 0.000 0.345 654 W C -1.481 175.073 176.519 0.058 0.000 1.151 654 W CA -1.432 55.967 57.345 0.091 0.000 1.111 654 W CB 1.621 31.127 29.460 0.076 0.000 1.449 654 W HN 0.611 nan 8.180 nan 0.000 0.572 655 M N 1.196 121.166 119.600 0.618 0.000 2.569 655 M HA 0.539 5.019 4.480 -0.000 0.000 0.287 655 M C -2.643 173.911 176.300 0.424 0.000 1.130 655 M CA -0.562 54.976 55.300 0.397 0.000 0.885 655 M CB 1.737 34.340 32.600 0.006 0.000 1.759 655 M HN 0.126 nan 8.290 nan 0.000 0.515 656 V N 2.344 122.488 119.914 0.383 0.000 2.513 656 V HA 1.043 5.163 4.120 -0.000 0.000 0.299 656 V C -0.189 176.019 176.094 0.190 0.000 1.035 656 V CA 0.049 62.521 62.300 0.287 0.000 0.889 656 V CB 1.297 33.285 31.823 0.275 0.000 0.988 656 V HN 1.150 nan 8.190 nan 0.000 0.440 657 A N 4.099 127.039 122.820 0.201 0.000 2.572 657 A HA 0.863 5.183 4.320 -0.000 0.000 0.295 657 A C -1.735 175.975 177.584 0.210 0.000 1.072 657 A CA -0.584 51.543 52.037 0.150 0.000 0.691 657 A CB 1.779 20.820 19.000 0.069 0.000 1.291 657 A HN 0.773 nan 8.150 nan 0.000 0.404 658 L N 1.450 122.763 121.223 0.151 0.000 2.280 658 L HA 0.558 4.898 4.340 -0.000 0.000 0.287 658 L C -0.392 176.578 176.870 0.166 0.000 1.023 658 L CA 0.246 55.188 54.840 0.171 0.000 0.819 658 L CB 0.335 42.459 42.059 0.108 0.000 1.212 658 L HN 0.775 nan 8.230 nan 0.000 0.420 659 D N 4.740 125.305 120.400 0.275 0.000 2.733 659 D HA -0.211 4.429 4.640 -0.000 0.000 0.232 659 D C 1.185 177.512 176.300 0.046 0.000 1.161 659 D CA 1.589 55.732 54.000 0.240 0.000 0.653 659 D CB -1.007 39.904 40.800 0.185 0.000 1.052 659 D HN 1.171 nan 8.370 nan 0.000 0.424 660 G N -1.286 107.508 108.800 -0.010 0.000 2.213 660 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.236 660 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.236 660 G C 0.161 174.989 174.900 -0.120 0.000 0.991 660 G CA 0.281 45.272 45.100 -0.181 0.000 0.629 660 G HN 0.434 nan 8.290 nan 0.000 0.517 661 K N 2.206 122.586 120.400 -0.034 0.000 2.253 661 K HA 0.553 4.873 4.320 -0.000 0.000 0.277 661 K C -2.565 174.036 176.600 0.001 0.000 1.053 661 K CA -2.050 54.221 56.287 -0.027 0.000 0.892 661 K CB 1.818 34.314 32.500 -0.007 0.000 1.102 661 K HN 0.096 nan 8.250 nan 0.000 0.469 662 P HA 0.037 nan 4.420 nan 0.000 0.271 662 P C -0.229 177.079 177.300 0.013 0.000 1.220 662 P CA 0.037 63.132 63.100 -0.008 0.000 0.768 662 P CB 0.685 32.356 31.700 -0.049 0.000 0.848 663 L N 1.307 122.560 121.223 0.049 0.000 2.717 663 L HA 0.538 4.878 4.340 -0.000 0.000 0.239 663 L C 0.800 177.714 176.870 0.074 0.000 1.086 663 L CA 0.111 54.986 54.840 0.058 0.000 0.897 663 L CB 0.326 42.434 42.059 0.081 0.000 1.214 663 L HN 0.364 nan 8.230 nan 0.000 0.508 664 A N -0.085 122.796 122.820 0.101 0.000 2.594 664 A HA 0.713 5.033 4.320 -0.000 0.000 0.296 664 A C -0.941 176.617 177.584 -0.042 0.000 1.056 664 A CA -0.333 51.776 52.037 0.120 0.000 0.693 664 A CB 1.411 20.620 19.000 0.349 0.000 1.278 664 A HN -0.008 nan 8.150 nan 0.000 0.408 665 S N -0.360 115.057 115.700 -0.471 0.000 2.627 665 S HA 0.983 5.453 4.470 -0.000 0.000 0.283 665 S C -0.071 173.506 174.600 -1.705 0.000 1.127 665 S CA -0.340 57.221 58.200 -1.066 0.000 0.863 665 S CB 2.026 64.873 63.200 -0.589 0.000 1.121 665 S HN 2.114 nan 8.310 nan 0.000 0.479 666 G N -0.197 107.248 108.800 -2.259 0.000 2.677 666 G HA2 0.624 4.584 3.960 -0.000 0.000 0.291 666 G HA3 0.624 4.584 3.960 -0.000 0.000 0.291 666 G C -2.159 172.205 174.900 -0.893 0.000 1.435 666 G CA -0.598 43.591 45.100 -1.519 0.000 0.826 666 G HN 0.620 nan 8.290 nan 0.000 0.491 667 E N -0.538 119.490 120.200 -0.286 0.000 2.246 667 E HA 0.610 4.960 4.350 -0.000 0.000 0.266 667 E C -1.357 175.312 176.600 0.116 0.000 0.880 667 E CA -0.533 55.805 56.400 -0.103 0.000 0.762 667 E CB 2.593 32.192 29.700 -0.169 0.000 1.180 667 E HN 0.325 nan 8.360 nan 0.000 0.416 668 V N 5.732 125.769 119.914 0.205 0.000 2.668 668 V HA 0.431 4.551 4.120 -0.000 0.000 0.304 668 V C -2.425 173.764 176.094 0.157 0.000 1.071 668 V CA -1.841 60.570 62.300 0.185 0.000 0.894 668 V CB 2.056 34.005 31.823 0.210 0.000 1.008 668 V HN 0.623 nan 8.190 nan 0.000 0.425 669 P HA 0.253 nan 4.420 nan 0.000 0.276 669 P C -0.672 176.684 177.300 0.094 0.000 1.235 669 P CA -0.033 63.128 63.100 0.101 0.000 0.772 669 P CB 0.854 32.608 31.700 0.092 0.000 0.871 670 L N 3.117 124.382 121.223 0.070 0.000 2.350 670 L HA 0.314 4.654 4.340 -0.000 0.000 0.275 670 L C 0.511 177.430 176.870 0.080 0.000 1.099 670 L CA 0.232 55.102 54.840 0.050 0.000 0.808 670 L CB 0.572 42.609 42.059 -0.037 0.000 1.149 670 L HN 0.326 nan 8.230 nan 0.000 0.442 671 D N 2.255 122.706 120.400 0.084 0.000 2.429 671 D HA 0.386 5.026 4.640 -0.000 0.000 0.255 671 D C -1.328 174.992 176.300 0.034 0.000 1.257 671 D CA -0.062 54.032 54.000 0.158 0.000 0.890 671 D CB 0.985 41.913 40.800 0.214 0.000 1.267 671 D HN 0.101 nan 8.370 nan 0.000 0.521 672 V N 0.520 120.266 119.914 -0.280 0.000 2.638 672 V HA 0.898 5.018 4.120 -0.000 0.000 0.306 672 V C 0.517 176.372 176.094 -0.398 0.000 1.052 672 V CA -1.418 60.774 62.300 -0.179 0.000 0.885 672 V CB 1.423 33.267 31.823 0.036 0.000 0.999 672 V HN 0.436 nan 8.190 nan 0.000 0.424 673 A N 5.601 128.396 122.820 -0.043 0.000 2.371 673 A HA 0.770 5.090 4.320 -0.000 0.000 0.257 673 A C -2.294 175.319 177.584 0.049 0.000 1.089 673 A CA -1.536 50.564 52.037 0.105 0.000 0.794 673 A CB -0.163 18.942 19.000 0.174 0.000 1.029 673 A HN 0.740 nan 8.150 nan 0.000 0.488 674 P HA -0.044 nan 4.420 nan 0.000 0.261 674 P C -0.396 176.904 177.300 -0.001 0.000 1.165 674 P CA 0.721 63.837 63.100 0.028 0.000 0.759 674 P CB 0.139 31.837 31.700 -0.004 0.000 0.772 675 Q N -1.237 118.546 119.800 -0.028 0.000 2.452 675 Q HA -0.187 4.153 4.340 -0.000 0.000 0.248 675 Q C 0.697 176.692 176.000 -0.008 0.000 0.874 675 Q CA 1.376 57.157 55.803 -0.038 0.000 1.208 675 Q CB -2.447 26.261 28.738 -0.051 0.000 1.569 675 Q HN 0.765 nan 8.270 nan 0.000 0.579 676 G N 0.288 109.097 108.800 0.015 0.000 2.552 676 G HA2 0.614 4.574 3.960 -0.000 0.000 0.318 676 G HA3 0.614 4.574 3.960 -0.000 0.000 0.318 676 G C -0.624 174.298 174.900 0.036 0.000 1.240 676 G CA -0.674 44.444 45.100 0.031 0.000 1.002 676 G HN -0.021 nan 8.290 nan 0.000 0.493 677 K N -0.461 119.965 120.400 0.042 0.000 2.259 677 K HA 0.466 4.786 4.320 -0.000 0.000 0.249 677 K C -0.833 175.802 176.600 0.060 0.000 0.942 677 K CA -0.547 55.768 56.287 0.047 0.000 0.816 677 K CB 2.380 34.901 32.500 0.036 0.000 1.155 677 K HN 0.530 nan 8.250 nan 0.000 0.428 678 Q N 3.332 123.173 119.800 0.069 0.000 2.323 678 Q HA 0.376 4.716 4.340 -0.000 0.000 0.271 678 Q C -1.558 174.486 176.000 0.073 0.000 1.048 678 Q CA -0.675 55.173 55.803 0.074 0.000 0.792 678 Q CB 1.374 30.161 28.738 0.083 0.000 1.280 678 Q HN 0.532 nan 8.270 nan 0.000 0.441 679 L N 5.097 126.355 121.223 0.058 0.000 2.289 679 L HA 0.538 4.878 4.340 -0.000 0.000 0.285 679 L C -0.450 176.444 176.870 0.040 0.000 1.049 679 L CA -0.680 54.186 54.840 0.044 0.000 0.804 679 L CB 1.201 43.275 42.059 0.026 0.000 1.195 679 L HN 0.625 nan 8.230 nan 0.000 0.428 680 I N 3.069 123.655 120.570 0.027 0.000 2.410 680 I HA 0.238 4.408 4.170 -0.000 0.000 0.286 680 I C -0.289 175.801 176.117 -0.045 0.000 1.009 680 I CA -0.739 60.569 61.300 0.012 0.000 1.111 680 I CB 2.030 40.056 38.000 0.045 0.000 1.262 680 I HN 0.466 nan 8.210 nan 0.000 0.443 681 E N 6.599 126.776 120.200 -0.040 0.000 2.223 681 E HA 0.389 4.739 4.350 -0.000 0.000 0.282 681 E C -0.642 175.888 176.600 -0.116 0.000 1.046 681 E CA -0.303 56.056 56.400 -0.069 0.000 0.857 681 E CB 1.365 31.043 29.700 -0.038 0.000 1.055 681 E HN 0.470 nan 8.360 nan 0.000 0.409 682 L N 6.161 127.277 121.223 -0.178 0.000 2.312 682 L HA 0.328 4.668 4.340 -0.000 0.000 0.281 682 L C -1.865 174.896 176.870 -0.182 0.000 1.070 682 L CA -1.903 52.776 54.840 -0.270 0.000 0.805 682 L CB 1.221 43.041 42.059 -0.397 0.000 1.174 682 L HN 0.232 nan 8.230 nan 0.000 0.434 683 P HA -0.011 nan 4.420 nan 0.000 0.270 683 P C -0.406 176.839 177.300 -0.091 0.000 1.223 683 P CA -0.321 62.738 63.100 -0.069 0.000 0.785 683 P CB 0.505 32.213 31.700 0.014 0.000 0.923 684 E N 0.997 121.169 120.200 -0.046 0.000 2.529 684 E HA 0.008 4.358 4.350 -0.000 0.000 0.259 684 E C -0.199 176.378 176.600 -0.038 0.000 0.966 684 E CA 0.283 56.657 56.400 -0.045 0.000 0.937 684 E CB 0.173 29.859 29.700 -0.023 0.000 0.923 684 E HN 0.329 nan 8.360 nan 0.000 0.468 685 L N 6.075 127.264 121.223 -0.057 0.000 2.357 685 L HA 0.333 4.673 4.340 -0.000 0.000 0.273 685 L C -1.941 174.925 176.870 -0.008 0.000 1.080 685 L CA -2.149 52.667 54.840 -0.039 0.000 0.803 685 L CB 0.626 42.641 42.059 -0.073 0.000 1.174 685 L HN 0.357 nan 8.230 nan 0.000 0.443 686 P HA 0.113 nan 4.420 nan 0.000 0.271 686 P C -1.086 176.224 177.300 0.017 0.000 1.216 686 P CA -0.314 62.803 63.100 0.027 0.000 0.776 686 P CB 0.651 32.381 31.700 0.050 0.000 0.881 687 Q N 2.323 122.131 119.800 0.013 0.000 2.965 687 Q HA 0.278 4.618 4.340 -0.000 0.000 0.288 687 Q C -2.130 173.878 176.000 0.013 0.000 0.974 687 Q CA -1.597 54.211 55.803 0.008 0.000 0.849 687 Q CB 0.100 28.837 28.738 -0.001 0.000 1.280 687 Q HN 0.387 nan 8.270 nan 0.000 0.441 688 P HA -0.065 nan 4.420 nan 0.000 0.267 688 P C 0.049 177.361 177.300 0.019 0.000 1.195 688 P CA 0.148 63.262 63.100 0.024 0.000 0.773 688 P CB 1.269 32.989 31.700 0.034 0.000 0.837 689 E N 0.200 120.412 120.200 0.020 0.000 2.099 689 E HA 0.013 4.363 4.350 -0.000 0.000 0.191 689 E C 0.541 177.154 176.600 0.022 0.000 0.962 689 E CA 0.494 56.905 56.400 0.018 0.000 0.826 689 E CB -0.591 29.119 29.700 0.016 0.000 0.788 689 E HN 0.530 nan 8.360 nan 0.000 0.461 690 S N 1.529 117.245 115.700 0.026 0.000 2.542 690 S HA 0.128 4.598 4.470 -0.000 0.000 0.287 690 S C 0.426 175.048 174.600 0.036 0.000 1.315 690 S CA 0.179 58.398 58.200 0.032 0.000 1.037 690 S CB 0.440 63.660 63.200 0.035 0.000 0.822 690 S HN 0.310 nan 8.310 nan 0.000 0.513 691 A N 1.391 124.235 122.820 0.041 0.000 2.322 691 A HA 0.785 5.105 4.320 -0.000 0.000 0.269 691 A C 0.864 178.485 177.584 0.061 0.000 1.094 691 A CA 0.208 52.272 52.037 0.045 0.000 0.807 691 A CB 0.005 19.033 19.000 0.047 0.000 1.047 691 A HN 1.864 nan 8.150 nan 0.000 0.487 692 G N -0.247 108.591 108.800 0.064 0.000 2.369 692 G HA2 0.320 4.280 3.960 -0.000 0.000 0.295 692 G HA3 0.320 4.280 3.960 -0.000 0.000 0.295 692 G C -1.280 173.666 174.900 0.077 0.000 1.298 692 G CA -0.891 44.265 45.100 0.093 0.000 0.940 692 G HN 0.849 nan 8.290 nan 0.000 0.536 693 Q N -0.607 119.271 119.800 0.130 0.000 2.290 693 Q HA 0.595 4.935 4.340 -0.000 0.000 0.259 693 Q C -0.668 175.418 176.000 0.143 0.000 0.941 693 Q CA -0.725 55.116 55.803 0.063 0.000 0.912 693 Q CB 2.089 30.901 28.738 0.124 0.000 1.244 693 Q HN 0.496 nan 8.270 nan 0.000 0.441 694 L N 4.028 125.225 121.223 -0.044 0.000 2.264 694 L HA 0.478 4.818 4.340 -0.000 0.000 0.289 694 L C -1.783 175.062 176.870 -0.043 0.000 1.044 694 L CA 0.052 54.919 54.840 0.044 0.000 0.807 694 L CB 0.413 42.471 42.059 -0.002 0.000 1.192 694 L HN 0.572 nan 8.230 nan 0.000 0.425 695 W N 5.414 126.780 121.300 0.109 0.000 2.915 695 W HA 0.562 5.222 4.660 0.000 0.000 0.337 695 W C -1.062 175.562 176.519 0.175 0.000 1.102 695 W CA -0.715 56.717 57.345 0.146 0.000 1.224 695 W CB 1.683 31.255 29.460 0.187 0.000 1.416 695 W HN 0.279 nan 8.180 nan 0.000 0.503 696 L N 2.915 124.438 121.223 0.500 0.000 2.295 696 L HA 0.811 5.151 4.340 -0.000 0.000 0.285 696 L C -0.376 176.798 176.870 0.508 0.000 1.035 696 L CA 0.096 55.198 54.840 0.437 0.000 0.806 696 L CB 1.343 43.604 42.059 0.337 0.000 1.214 696 L HN 0.367 nan 8.230 nan 0.000 0.426 697 T N 4.839 119.636 114.554 0.405 0.000 2.881 697 T HA 0.644 4.994 4.350 -0.000 0.000 0.290 697 T C -0.860 174.022 174.700 0.303 0.000 1.000 697 T CA -0.454 61.837 62.100 0.318 0.000 0.978 697 T CB 1.610 70.600 68.868 0.204 0.000 0.997 697 T HN 0.615 nan 8.240 nan 0.000 0.443 698 V N 1.545 121.592 119.914 0.222 0.000 2.715 698 V HA 0.893 5.013 4.120 -0.000 0.000 0.310 698 V C -0.627 175.522 176.094 0.091 0.000 1.054 698 V CA -1.075 61.316 62.300 0.150 0.000 0.928 698 V CB 1.927 33.754 31.823 0.007 0.000 1.007 698 V HN 0.809 nan 8.190 nan 0.000 0.437 699 R N 1.897 122.473 120.500 0.126 0.000 2.771 699 R HA 0.843 5.183 4.340 -0.000 0.000 0.274 699 R C -1.714 174.647 176.300 0.101 0.000 0.987 699 R CA -0.652 55.531 56.100 0.138 0.000 0.908 699 R CB 2.717 33.066 30.300 0.082 0.000 1.213 699 R HN 0.725 nan 8.270 nan 0.000 0.468 700 V N 3.123 123.118 119.914 0.134 0.000 2.448 700 V HA 0.502 4.622 4.120 -0.000 0.000 0.295 700 V C -0.612 175.493 176.094 0.019 0.000 1.025 700 V CA -0.680 61.665 62.300 0.075 0.000 0.859 700 V CB 1.734 33.621 31.823 0.107 0.000 0.988 700 V HN 0.441 nan 8.190 nan 0.000 0.431 701 V N 4.226 124.094 119.914 -0.075 0.000 2.769 701 V HA 0.486 4.606 4.120 -0.000 0.000 0.312 701 V C -0.427 175.665 176.094 -0.002 0.000 1.061 701 V CA -0.845 61.405 62.300 -0.084 0.000 0.931 701 V CB 1.996 33.669 31.823 -0.251 0.000 1.010 701 V HN 0.875 nan 8.190 nan 0.000 0.433 702 Q N 3.882 123.714 119.800 0.052 0.000 2.465 702 Q HA 0.278 4.618 4.340 -0.000 0.000 0.237 702 Q C -1.837 174.180 176.000 0.029 0.000 1.051 702 Q CA -1.810 54.036 55.803 0.071 0.000 0.874 702 Q CB 1.814 30.625 28.738 0.122 0.000 1.207 702 Q HN 0.504 nan 8.270 nan 0.000 0.508 703 P HA -0.221 nan 4.420 nan 0.000 0.214 703 P C -0.532 176.769 177.300 0.002 0.000 1.163 703 P CA 1.403 64.512 63.100 0.015 0.000 0.889 703 P CB 0.264 31.980 31.700 0.027 0.000 0.790 704 N N -0.772 117.924 118.700 -0.007 0.000 2.473 704 N HA 0.435 5.175 4.740 -0.000 0.000 0.291 704 N C -0.225 175.242 175.510 -0.072 0.000 1.083 704 N CA -0.631 52.402 53.050 -0.028 0.000 0.951 704 N CB 0.804 39.279 38.487 -0.021 0.000 1.164 704 N HN 0.021 nan 8.380 nan 0.000 0.480 705 A N 0.742 123.510 122.820 -0.087 0.000 2.327 705 A HA 0.535 4.855 4.320 -0.000 0.000 0.255 705 A C 0.579 178.040 177.584 -0.206 0.000 1.099 705 A CA -0.101 51.842 52.037 -0.156 0.000 0.801 705 A CB 0.062 18.988 19.000 -0.122 0.000 1.062 705 A HN 0.724 nan 8.150 nan 0.000 0.496 706 T N -3.861 110.480 114.554 -0.355 0.000 2.831 706 T HA 0.613 4.963 4.350 -0.000 0.000 0.287 706 T C 0.875 175.383 174.700 -0.320 0.000 1.070 706 T CA 0.069 61.934 62.100 -0.391 0.000 1.010 706 T CB 1.102 69.488 68.868 -0.804 0.000 1.264 706 T HN 1.427 nan 8.240 nan 0.000 0.532 707 A N -0.053 122.681 122.820 -0.144 0.000 2.121 707 A HA 0.110 4.430 4.320 -0.000 0.000 0.218 707 A C 1.557 179.253 177.584 0.186 0.000 1.154 707 A CA 1.102 53.193 52.037 0.090 0.000 0.679 707 A CB -0.866 18.282 19.000 0.246 0.000 0.795 707 A HN 0.914 nan 8.150 nan 0.000 0.458 708 W N -0.954 120.393 121.300 0.079 0.000 2.714 708 W HA 0.431 5.091 4.660 -0.000 0.000 0.353 708 W C -0.173 176.306 176.519 -0.065 0.000 0.999 708 W CA 0.440 57.792 57.345 0.013 0.000 1.629 708 W CB -1.132 28.324 29.460 -0.008 0.000 1.106 708 W HN 0.418 nan 8.180 nan 0.000 0.545 709 S N 0.233 115.447 115.700 -0.810 0.000 2.541 709 S HA 0.415 4.885 4.470 -0.000 0.000 0.271 709 S C -0.500 173.834 174.600 -0.444 0.000 1.133 709 S CA -0.630 57.126 58.200 -0.739 0.000 0.876 709 S CB 2.770 65.124 63.200 -1.409 0.000 1.105 709 S HN 0.039 nan 8.310 nan 0.000 0.470 710 E N 0.882 120.935 120.200 -0.245 0.000 2.369 710 E HA 0.517 4.867 4.350 -0.000 0.000 0.255 710 E C 0.485 177.034 176.600 -0.085 0.000 1.172 710 E CA -0.370 55.961 56.400 -0.114 0.000 0.932 710 E CB 0.946 30.630 29.700 -0.027 0.000 1.040 710 E HN 0.882 nan 8.360 nan 0.000 0.454 711 A N -0.341 122.451 122.820 -0.047 0.000 2.351 711 A HA 0.468 4.788 4.320 -0.000 0.000 0.257 711 A C 0.990 178.582 177.584 0.014 0.000 1.087 711 A CA 0.455 52.478 52.037 -0.024 0.000 0.798 711 A CB 0.020 19.008 19.000 -0.020 0.000 1.033 711 A HN 0.720 nan 8.150 nan 0.000 0.488 712 G N 0.008 108.821 108.800 0.022 0.000 2.147 712 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.244 712 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.244 712 G C 0.103 175.038 174.900 0.058 0.000 1.005 712 G CA 0.739 45.852 45.100 0.022 0.000 0.713 712 G HN 1.626 nan 8.290 nan 0.000 0.515 713 H N 0.173 119.233 119.070 -0.017 0.000 2.732 713 H HA 0.514 5.070 4.556 -0.000 0.000 0.351 713 H C 0.459 175.829 175.328 0.070 0.000 1.090 713 H CA -0.630 55.433 56.048 0.025 0.000 1.431 713 H CB 0.341 30.108 29.762 0.008 0.000 1.447 713 H HN 0.043 nan 8.280 nan 0.000 0.582 714 I N 4.740 125.032 120.570 -0.464 0.000 2.325 714 I HA 0.019 4.189 4.170 -0.000 0.000 0.291 714 I C 1.163 177.106 176.117 -0.291 0.000 1.019 714 I CA 0.066 61.212 61.300 -0.258 0.000 1.302 714 I CB 0.626 38.551 38.000 -0.125 0.000 1.401 714 I HN 0.829 nan 8.210 nan 0.000 0.485 715 S N 4.050 119.793 115.700 0.072 0.000 2.505 715 S HA 0.630 5.100 4.470 -0.000 0.000 0.216 715 S C 0.561 175.400 174.600 0.400 0.000 1.018 715 S CA 0.169 58.550 58.200 0.300 0.000 0.911 715 S CB 0.615 64.112 63.200 0.495 0.000 0.818 715 S HN 0.738 nan 8.310 nan 0.000 0.497 716 A N 0.496 123.581 122.820 0.443 0.000 2.605 716 A HA 0.652 4.972 4.320 -0.000 0.000 0.294 716 A C -1.758 176.162 177.584 0.561 0.000 1.062 716 A CA -0.904 51.393 52.037 0.433 0.000 0.682 716 A CB 0.397 19.688 19.000 0.486 0.000 1.278 716 A HN 0.896 nan 8.150 nan 0.000 0.410 717 W N 0.106 121.558 121.300 0.252 0.000 3.025 717 W HA 0.821 5.481 4.660 0.000 0.000 0.343 717 W C -1.133 175.409 176.519 0.038 0.000 1.246 717 W CA -0.658 56.725 57.345 0.063 0.000 1.178 717 W CB 1.224 30.671 29.460 -0.022 0.000 1.463 717 W HN 1.088 nan 8.180 nan 0.000 0.578 718 Q N 1.662 121.483 119.800 0.035 0.000 2.545 718 Q HA 0.341 4.681 4.340 -0.000 0.000 0.273 718 Q C -1.635 174.145 176.000 -0.367 0.000 0.975 718 Q CA -0.596 55.060 55.803 -0.245 0.000 0.876 718 Q CB 2.179 30.637 28.738 -0.468 0.000 1.472 718 Q HN 0.678 nan 8.270 nan 0.000 0.389 719 Q N 2.940 122.478 119.800 -0.436 0.000 2.456 719 Q HA 0.663 5.003 4.340 -0.000 0.000 0.283 719 Q C -1.373 174.516 176.000 -0.186 0.000 1.084 719 Q CA -0.599 55.104 55.803 -0.167 0.000 0.801 719 Q CB 1.788 30.615 28.738 0.148 0.000 1.434 719 Q HN 0.670 nan 8.270 nan 0.000 0.419 720 W N 1.504 123.000 121.300 0.327 0.000 3.033 720 W HA 0.468 5.128 4.660 0.000 0.000 0.336 720 W C -0.523 176.050 176.519 0.089 0.000 1.173 720 W CA -0.828 56.645 57.345 0.213 0.000 1.185 720 W CB 2.171 31.684 29.460 0.090 0.000 1.425 720 W HN 0.661 nan 8.180 nan 0.000 0.536 721 R N 2.367 122.816 120.500 -0.084 0.000 2.198 721 R HA 0.305 4.645 4.340 -0.000 0.000 0.339 721 R C 0.738 176.830 176.300 -0.346 0.000 1.020 721 R CA -0.163 55.483 56.100 -0.758 0.000 0.864 721 R CB 0.594 30.070 30.300 -1.374 0.000 1.105 721 R HN 0.593 nan 8.270 nan 0.000 0.463 722 L N 2.725 123.794 121.223 -0.257 0.000 2.049 722 L HA 0.196 4.536 4.340 -0.000 0.000 0.203 722 L C 0.939 177.712 176.870 -0.162 0.000 1.074 722 L CA 1.031 55.784 54.840 -0.145 0.000 0.749 722 L CB -0.200 41.815 42.059 -0.072 0.000 0.907 722 L HN 0.668 nan 8.230 nan 0.000 0.439 723 A N -0.825 121.882 122.820 -0.188 0.000 2.568 723 A HA 0.652 4.972 4.320 -0.000 0.000 0.291 723 A C -1.443 176.049 177.584 -0.153 0.000 1.159 723 A CA -0.423 51.529 52.037 -0.141 0.000 0.679 723 A CB 1.922 20.873 19.000 -0.081 0.000 1.285 723 A HN 0.054 nan 8.150 nan 0.000 0.428 724 E N 0.136 120.279 120.200 -0.096 0.000 2.304 724 E HA 0.426 4.776 4.350 -0.000 0.000 0.277 724 E C -1.813 174.769 176.600 -0.029 0.000 0.898 724 E CA -0.631 55.728 56.400 -0.067 0.000 0.764 724 E CB 1.377 31.033 29.700 -0.074 0.000 1.216 724 E HN 0.539 nan 8.360 nan 0.000 0.419 725 N N 4.421 123.118 118.700 -0.006 0.000 2.564 725 N HA 0.292 5.032 4.740 -0.000 0.000 0.248 725 N C -0.651 174.870 175.510 0.018 0.000 0.986 725 N CA -0.333 52.721 53.050 0.007 0.000 0.921 725 N CB 1.073 39.569 38.487 0.015 0.000 1.136 725 N HN 0.487 nan 8.380 nan 0.000 0.509 726 L N 0.816 122.048 121.223 0.015 0.000 2.490 726 L HA 0.067 4.407 4.340 -0.000 0.000 0.274 726 L C 1.153 178.041 176.870 0.030 0.000 1.201 726 L CA 0.290 55.145 54.840 0.025 0.000 0.869 726 L CB 0.508 42.580 42.059 0.021 0.000 1.123 726 L HN 0.353 nan 8.230 nan 0.000 0.484 727 S N 2.057 117.781 115.700 0.040 0.000 2.439 727 S HA 0.257 4.727 4.470 -0.000 0.000 0.282 727 S C 0.519 175.141 174.600 0.037 0.000 1.170 727 S CA -0.913 57.312 58.200 0.041 0.000 1.054 727 S CB 0.721 63.951 63.200 0.050 0.000 0.956 727 S HN 0.437 nan 8.310 nan 0.000 0.490 728 V N 2.792 122.725 119.914 0.031 0.000 3.177 728 V HA 0.321 4.441 4.120 -0.000 0.000 0.342 728 V C 0.777 176.888 176.094 0.029 0.000 1.379 728 V CA -0.080 62.237 62.300 0.028 0.000 1.191 728 V CB -1.149 30.687 31.823 0.023 0.000 1.167 728 V HN 0.835 nan 8.190 nan 0.000 0.471 729 T N -0.186 114.387 114.554 0.032 0.000 2.902 729 T HA 0.778 5.128 4.350 -0.000 0.000 0.280 729 T C -0.534 174.185 174.700 0.032 0.000 0.992 729 T CA -0.593 61.526 62.100 0.031 0.000 1.015 729 T CB 1.983 70.869 68.868 0.030 0.000 1.044 729 T HN 0.220 nan 8.240 nan 0.000 0.520 730 L N 1.739 122.979 121.223 0.029 0.000 2.334 730 L HA 0.568 4.908 4.340 -0.000 0.000 0.276 730 L C -2.058 174.828 176.870 0.028 0.000 1.014 730 L CA -2.116 52.741 54.840 0.029 0.000 0.815 730 L CB 0.646 42.720 42.059 0.025 0.000 1.268 730 L HN 0.579 nan 8.230 nan 0.000 0.428 731 P HA 0.270 nan 4.420 nan 0.000 0.267 731 P C -0.475 176.837 177.300 0.020 0.000 1.209 731 P CA -0.336 62.778 63.100 0.024 0.000 0.763 731 P CB 0.857 32.572 31.700 0.025 0.000 0.816 732 A N 3.306 126.136 122.820 0.017 0.000 2.406 732 A HA 0.496 4.816 4.320 -0.000 0.000 0.243 732 A C 0.710 178.302 177.584 0.012 0.000 1.082 732 A CA -0.051 51.998 52.037 0.019 0.000 0.786 732 A CB -0.258 18.754 19.000 0.020 0.000 1.029 732 A HN 0.743 nan 8.150 nan 0.000 0.495 733 A N 1.078 123.918 122.820 0.032 0.000 2.466 733 A HA 0.499 4.819 4.320 -0.000 0.000 0.238 733 A C 0.761 178.338 177.584 -0.012 0.000 1.074 733 A CA 0.457 52.518 52.037 0.041 0.000 0.774 733 A CB -0.364 18.688 19.000 0.087 0.000 1.015 733 A HN 1.545 nan 8.150 nan 0.000 0.498 734 S N 0.155 115.847 115.700 -0.013 0.000 2.593 734 S HA 0.515 4.985 4.470 -0.000 0.000 0.297 734 S C 0.063 174.687 174.600 0.040 0.000 1.112 734 S CA -0.720 57.416 58.200 -0.107 0.000 1.043 734 S CB 0.903 64.071 63.200 -0.053 0.000 1.054 734 S HN 0.649 nan 8.310 nan 0.000 0.516 735 H N 0.240 119.319 119.070 0.016 0.000 2.539 735 H HA 0.609 5.165 4.556 -0.000 0.000 0.267 735 H C 0.654 175.989 175.328 0.012 0.000 0.982 735 H CA 0.444 56.499 56.048 0.012 0.000 1.146 735 H CB -0.296 29.472 29.762 0.010 0.000 1.382 735 H HN 0.792 nan 8.280 nan 0.000 0.577 736 A N 0.584 123.465 122.820 0.101 0.000 2.557 736 A HA 0.659 4.979 4.320 -0.000 0.000 0.292 736 A C -1.133 176.480 177.584 0.048 0.000 1.139 736 A CA -0.715 51.364 52.037 0.069 0.000 0.665 736 A CB 1.340 20.380 19.000 0.067 0.000 1.285 736 A HN 0.205 nan 8.150 nan 0.000 0.433 737 I N -1.631 118.967 120.570 0.046 0.000 2.802 737 I HA 0.743 4.913 4.170 -0.000 0.000 0.298 737 I C -2.908 173.249 176.117 0.067 0.000 1.176 737 I CA -2.546 58.779 61.300 0.042 0.000 1.025 737 I CB 2.452 40.467 38.000 0.026 0.000 1.243 737 I HN 0.403 nan 8.210 nan 0.000 0.424 738 P HA -0.028 nan 4.420 nan 0.000 0.267 738 P C -1.306 176.087 177.300 0.154 0.000 1.195 738 P CA 0.478 63.637 63.100 0.098 0.000 0.773 738 P CB 0.148 31.860 31.700 0.019 0.000 0.837 739 H N 2.037 121.136 119.070 0.049 0.000 2.587 739 H HA 0.356 4.912 4.556 -0.000 0.000 0.325 739 H C -0.748 174.605 175.328 0.042 0.000 1.012 739 H CA -1.143 54.926 56.048 0.034 0.000 1.213 739 H CB 0.861 30.645 29.762 0.036 0.000 1.431 739 H HN 0.196 nan 8.280 nan 0.000 0.492 740 L N 4.442 125.625 121.223 -0.067 0.000 2.453 740 L HA 0.329 4.669 4.340 -0.000 0.000 0.261 740 L C -0.633 176.063 176.870 -0.290 0.000 1.179 740 L CA 0.395 55.139 54.840 -0.161 0.000 0.813 740 L CB 1.395 43.400 42.059 -0.090 0.000 1.110 740 L HN 0.746 nan 8.230 nan 0.000 0.466 741 T N 2.543 117.015 114.554 -0.136 0.000 3.548 741 T HA 0.267 4.617 4.350 -0.000 0.000 0.329 741 T C -0.398 174.357 174.700 0.092 0.000 0.960 741 T CA -0.554 61.503 62.100 -0.071 0.000 1.041 741 T CB 0.866 69.650 68.868 -0.140 0.000 1.065 741 T HN 0.724 nan 8.240 nan 0.000 0.459 742 T N 2.479 117.114 114.554 0.135 0.000 2.816 742 T HA 0.775 5.125 4.350 -0.000 0.000 0.282 742 T C 0.389 175.162 174.700 0.121 0.000 0.993 742 T CA -0.521 61.726 62.100 0.245 0.000 0.994 742 T CB 1.298 70.326 68.868 0.266 0.000 1.025 742 T HN 0.713 nan 8.240 nan 0.000 0.529 743 S N -1.065 114.680 115.700 0.074 0.000 2.703 743 S HA 0.300 4.770 4.470 -0.000 0.000 0.273 743 S C 0.423 174.997 174.600 -0.044 0.000 1.178 743 S CA -0.637 57.569 58.200 0.010 0.000 0.838 743 S CB 1.181 64.383 63.200 0.004 0.000 1.178 743 S HN 0.719 nan 8.310 nan 0.000 0.494 744 E N -0.198 119.975 120.200 -0.045 0.000 2.112 744 E HA 0.017 4.367 4.350 -0.000 0.000 0.190 744 E C 1.426 177.958 176.600 -0.113 0.000 0.979 744 E CA 0.945 57.305 56.400 -0.066 0.000 0.814 744 E CB -0.068 29.609 29.700 -0.038 0.000 0.762 744 E HN 0.558 nan 8.360 nan 0.000 0.460 745 M N 0.912 120.457 119.600 -0.092 0.000 2.476 745 M HA 0.101 4.581 4.480 -0.000 0.000 0.262 745 M C -0.128 176.085 176.300 -0.144 0.000 1.111 745 M CA 0.807 56.052 55.300 -0.092 0.000 1.127 745 M CB -0.588 31.990 32.600 -0.036 0.000 1.376 745 M HN 0.047 nan 8.290 nan 0.000 0.465 746 D N -1.931 118.360 120.400 -0.183 0.000 2.865 746 D HA 0.444 5.084 4.640 -0.000 0.000 0.343 746 D C -0.977 175.203 176.300 -0.201 0.000 1.372 746 D CA -0.708 53.153 54.000 -0.232 0.000 0.862 746 D CB 0.629 41.423 40.800 -0.010 0.000 1.425 746 D HN -0.031 nan 8.370 nan 0.000 0.501 750 E N 4.582 124.917 120.200 0.224 0.000 2.288 750 E HA 0.877 5.227 4.350 -0.000 0.000 0.268 750 E C -1.774 174.987 176.600 0.269 0.000 0.885 750 E CA -0.834 55.701 56.400 0.225 0.000 0.767 750 E CB 2.792 32.547 29.700 0.092 0.000 1.220 750 E HN 0.560 nan 8.360 nan 0.000 0.427 751 L N 4.137 125.511 121.223 0.251 0.000 2.811 751 L HA 0.460 4.800 4.340 -0.000 0.000 0.251 751 L C -0.108 176.835 176.870 0.121 0.000 0.971 751 L CA 0.769 55.738 54.840 0.214 0.000 0.990 751 L CB 0.960 43.206 42.059 0.311 0.000 1.320 751 L HN 0.790 nan 8.230 nan 0.000 0.473 752 G N 3.664 112.507 108.800 0.072 0.000 2.527 752 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.268 752 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.268 752 G C 0.591 175.486 174.900 -0.008 0.000 1.175 752 G CA 0.476 45.593 45.100 0.028 0.000 0.962 752 G HN 1.012 nan 8.290 nan 0.000 0.560 753 N N 0.967 119.648 118.700 -0.032 0.000 2.459 753 N HA 0.017 4.757 4.740 -0.000 0.000 0.181 753 N C 0.795 176.241 175.510 -0.108 0.000 1.046 753 N CA 1.431 54.443 53.050 -0.063 0.000 0.904 753 N CB -0.122 38.330 38.487 -0.058 0.000 0.964 753 N HN 0.763 nan 8.380 nan 0.000 0.444 754 K N 0.361 120.678 120.400 -0.138 0.000 2.298 754 K HA 0.327 4.647 4.320 -0.000 0.000 0.280 754 K C -0.195 176.190 176.600 -0.359 0.000 1.032 754 K CA -0.177 55.904 56.287 -0.344 0.000 0.958 754 K CB 1.142 33.369 32.500 -0.454 0.000 0.978 754 K HN 0.040 nan 8.250 nan 0.000 0.472 755 R N 1.859 122.043 120.500 -0.527 0.000 2.626 755 R HA 0.368 4.708 4.340 -0.000 0.000 0.274 755 R C -1.653 174.518 176.300 -0.214 0.000 1.031 755 R CA -0.640 55.345 56.100 -0.192 0.000 0.898 755 R CB 1.312 31.555 30.300 -0.095 0.000 1.222 755 R HN 0.595 nan 8.270 nan 0.000 0.455 756 W N 3.226 124.625 121.300 0.165 0.000 2.883 756 W HA 0.335 4.995 4.660 0.000 0.000 0.335 756 W C -0.715 175.883 176.519 0.133 0.000 1.083 756 W CA -0.563 56.837 57.345 0.092 0.000 1.233 756 W CB 2.239 31.727 29.460 0.046 0.000 1.412 756 W HN 0.475 nan 8.180 nan 0.000 0.490 757 Q N 2.479 122.418 119.800 0.232 0.000 2.356 757 Q HA 0.521 4.861 4.340 -0.000 0.000 0.270 757 Q C -2.094 173.860 176.000 -0.077 0.000 1.058 757 Q CA -0.508 55.421 55.803 0.210 0.000 0.802 757 Q CB 1.910 30.835 28.738 0.311 0.000 1.303 757 Q HN 0.348 nan 8.270 nan 0.000 0.444 758 F N 2.761 122.800 119.950 0.148 0.000 2.402 758 F HA 0.313 4.840 4.527 -0.000 0.000 0.355 758 F C 0.524 176.340 175.800 0.027 0.000 1.123 758 F CA -0.870 57.182 58.000 0.088 0.000 1.021 758 F CB 1.440 40.505 39.000 0.108 0.000 1.160 758 F HN 0.561 nan 8.300 nan 0.000 0.451 759 N N 3.641 122.435 118.700 0.156 0.000 2.475 759 N HA 0.052 4.792 4.740 -0.000 0.000 0.267 759 N C 0.880 176.388 175.510 -0.002 0.000 1.169 759 N CA 0.077 53.165 53.050 0.064 0.000 0.947 759 N CB 0.749 39.285 38.487 0.080 0.000 1.061 759 N HN 0.713 nan 8.380 nan 0.000 0.466 760 R N 2.369 122.792 120.500 -0.129 0.000 2.276 760 R HA -0.063 4.277 4.340 -0.000 0.000 0.203 760 R C 1.123 177.347 176.300 -0.127 0.000 1.017 760 R CA 0.995 56.964 56.100 -0.220 0.000 1.010 760 R CB 0.269 30.329 30.300 -0.400 0.000 0.900 760 R HN 0.619 nan 8.270 nan 0.000 0.469 761 Q N -0.663 119.096 119.800 -0.068 0.000 2.204 761 Q HA -0.008 4.332 4.340 -0.000 0.000 0.198 761 Q C 2.080 178.059 176.000 -0.034 0.000 0.946 761 Q CA 1.519 57.293 55.803 -0.048 0.000 0.859 761 Q CB 0.349 29.077 28.738 -0.016 0.000 0.946 761 Q HN 0.249 nan 8.270 nan 0.000 0.474 762 S N -1.407 114.299 115.700 0.009 0.000 2.458 762 S HA 0.184 4.654 4.470 -0.000 0.000 0.223 762 S C 1.619 176.116 174.600 -0.173 0.000 1.019 762 S CA 0.507 58.734 58.200 0.045 0.000 0.937 762 S CB 0.132 63.483 63.200 0.253 0.000 0.788 762 S HN 0.456 nan 8.310 nan 0.000 0.511 763 G N 0.380 109.101 108.800 -0.133 0.000 2.148 763 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.254 763 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.254 763 G C -0.096 174.666 174.900 -0.230 0.000 0.981 763 G CA 0.373 45.368 45.100 -0.173 0.000 0.670 763 G HN 0.536 nan 8.290 nan 0.000 0.528 764 F N -1.308 118.821 119.950 0.299 0.000 2.541 764 F HA 0.683 5.210 4.527 -0.000 0.000 0.331 764 F C 0.512 176.371 175.800 0.100 0.000 1.057 764 F CA -1.444 56.705 58.000 0.248 0.000 0.975 764 F CB 1.316 40.413 39.000 0.162 0.000 1.246 764 F HN 0.007 nan 8.300 nan 0.000 0.484 765 L N 1.534 122.851 121.223 0.157 0.000 2.485 765 L HA 0.222 4.562 4.340 -0.000 0.000 0.279 765 L C 0.583 177.360 176.870 -0.156 0.000 1.124 765 L CA 0.664 55.213 54.840 -0.485 0.000 0.888 765 L CB 0.120 41.871 42.059 -0.513 0.000 1.217 765 L HN 0.631 nan 8.230 nan 0.000 0.464 766 S N 2.674 118.287 115.700 -0.145 0.000 2.425 766 S HA 0.106 4.576 4.470 -0.000 0.000 0.225 766 S C 0.457 174.961 174.600 -0.159 0.000 1.024 766 S CA 0.429 58.590 58.200 -0.065 0.000 0.951 766 S CB -0.043 63.158 63.200 0.001 0.000 0.796 766 S HN 0.737 nan 8.310 nan 0.000 0.498 767 Q N -0.246 119.407 119.800 -0.245 0.000 2.633 767 Q HA 0.650 4.990 4.340 -0.000 0.000 0.289 767 Q C -1.647 174.044 176.000 -0.516 0.000 0.940 767 Q CA -0.640 54.894 55.803 -0.448 0.000 0.785 767 Q CB 1.409 29.761 28.738 -0.643 0.000 1.467 767 Q HN 0.282 nan 8.270 nan 0.000 0.401 768 M N 0.074 119.223 119.600 -0.751 0.000 2.465 768 M HA 0.771 5.251 4.480 -0.000 0.000 0.284 768 M C -1.952 173.936 176.300 -0.686 0.000 1.212 768 M CA -0.330 54.621 55.300 -0.582 0.000 0.910 768 M CB 1.962 34.242 32.600 -0.534 0.000 1.725 768 M HN 0.508 nan 8.290 nan 0.000 0.477 769 W N 3.042 124.113 121.300 -0.382 0.000 2.864 769 W HA 0.704 5.364 4.660 -0.000 0.000 0.343 769 W C -1.535 174.780 176.519 -0.341 0.000 1.109 769 W CA -0.884 56.289 57.345 -0.287 0.000 1.192 769 W CB 2.060 31.385 29.460 -0.225 0.000 1.426 769 W HN 0.584 nan 8.180 nan 0.000 0.529 770 I N 2.419 122.993 120.570 0.006 0.000 2.448 770 I HA 0.437 4.607 4.170 -0.000 0.000 0.281 770 I C 0.727 176.837 176.117 -0.011 0.000 1.027 770 I CA 0.162 61.417 61.300 -0.074 0.000 1.111 770 I CB 1.131 39.057 38.000 -0.124 0.000 1.236 770 I HN 0.710 nan 8.210 nan 0.000 0.452 771 G N 5.582 114.369 108.800 -0.022 0.000 2.531 771 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.274 771 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.274 771 G C 0.292 175.212 174.900 0.032 0.000 1.159 771 G CA 0.475 45.566 45.100 -0.015 0.000 0.969 771 G HN 0.740 nan 8.290 nan 0.000 0.554 772 D N 0.948 121.380 120.400 0.053 0.000 2.363 772 D HA 0.243 4.883 4.640 -0.000 0.000 0.214 772 D C 0.611 177.044 176.300 0.222 0.000 1.093 772 D CA 0.213 54.277 54.000 0.108 0.000 0.837 772 D CB 0.247 41.068 40.800 0.036 0.000 0.948 772 D HN 0.482 nan 8.370 nan 0.000 0.507 773 K N 1.025 121.526 120.400 0.167 0.000 2.234 773 K HA 0.284 4.604 4.320 -0.000 0.000 0.277 773 K C -0.006 176.564 176.600 -0.050 0.000 1.038 773 K CA -0.470 55.856 56.287 0.064 0.000 0.888 773 K CB 1.712 34.208 32.500 -0.007 0.000 1.091 773 K HN -0.125 nan 8.250 nan 0.000 0.467 774 K N 1.910 122.190 120.400 -0.200 0.000 2.295 774 K HA 0.034 4.354 4.320 -0.000 0.000 0.270 774 K C 0.768 177.152 176.600 -0.360 0.000 1.011 774 K CA -0.185 55.759 56.287 -0.573 0.000 0.953 774 K CB 0.688 32.907 32.500 -0.468 0.000 0.956 774 K HN 0.429 nan 8.250 nan 0.000 0.477 775 Q N 1.044 120.601 119.800 -0.404 0.000 2.316 775 Q HA 0.206 4.546 4.340 -0.000 0.000 0.235 775 Q C -0.124 175.783 176.000 -0.155 0.000 0.863 775 Q CA 0.430 56.120 55.803 -0.190 0.000 0.939 775 Q CB 0.514 29.191 28.738 -0.103 0.000 1.108 775 Q HN 0.469 nan 8.270 nan 0.000 0.522 776 L N 0.353 121.433 121.223 -0.239 0.000 2.362 776 L HA 0.412 4.752 4.340 -0.000 0.000 0.271 776 L C 0.727 177.470 176.870 -0.211 0.000 1.002 776 L CA -0.463 54.263 54.840 -0.189 0.000 0.818 776 L CB 1.664 43.620 42.059 -0.172 0.000 1.298 776 L HN -0.148 nan 8.230 nan 0.000 0.420 777 L N 0.064 121.155 121.223 -0.220 0.000 2.477 777 L HA 0.248 4.588 4.340 -0.000 0.000 0.220 777 L C 0.578 177.335 176.870 -0.188 0.000 1.106 777 L CA 0.740 55.455 54.840 -0.209 0.000 0.851 777 L CB 0.275 42.188 42.059 -0.244 0.000 0.994 777 L HN 0.619 nan 8.230 nan 0.000 0.462 778 T N -0.261 114.170 114.554 -0.204 0.000 2.916 778 T HA 0.420 4.770 4.350 -0.000 0.000 0.305 778 T C -2.686 171.959 174.700 -0.092 0.000 1.119 778 T CA -1.278 60.744 62.100 -0.131 0.000 1.008 778 T CB 2.323 71.090 68.868 -0.168 0.000 1.129 778 T HN -0.280 nan 8.240 nan 0.000 0.480 779 P HA 0.268 nan 4.420 nan 0.000 0.272 779 P C -0.764 176.508 177.300 -0.047 0.000 1.223 779 P CA -0.735 62.345 63.100 -0.033 0.000 0.784 779 P CB 0.415 32.121 31.700 0.011 0.000 0.923 780 L N 3.914 125.146 121.223 0.014 0.000 2.369 780 L HA 0.251 4.591 4.340 -0.000 0.000 0.279 780 L C 0.542 177.358 176.870 -0.089 0.000 1.108 780 L CA 0.458 55.331 54.840 0.054 0.000 0.852 780 L CB -0.782 41.417 42.059 0.235 0.000 1.169 780 L HN 0.463 nan 8.230 nan 0.000 0.452 781 R N 1.958 122.353 120.500 -0.176 0.000 2.799 781 R HA 0.616 4.956 4.340 -0.000 0.000 0.270 781 R C -1.084 175.095 176.300 -0.203 0.000 1.010 781 R CA -1.107 54.787 56.100 -0.343 0.000 0.916 781 R CB 0.632 30.370 30.300 -0.937 0.000 1.228 781 R HN 0.373 nan 8.270 nan 0.000 0.469 782 D N 0.899 121.209 120.400 -0.151 0.000 2.423 782 D HA 0.045 4.685 4.640 -0.000 0.000 0.238 782 D C -0.637 175.280 176.300 -0.639 0.000 1.142 782 D CA 0.557 54.338 54.000 -0.366 0.000 0.884 782 D CB 0.702 41.294 40.800 -0.348 0.000 1.199 782 D HN 0.351 nan 8.370 nan 0.000 0.438 783 Q N 1.639 120.850 119.800 -0.980 0.000 2.289 783 Q HA 0.310 4.650 4.340 -0.000 0.000 0.270 783 Q C -1.209 174.057 176.000 -1.222 0.000 1.038 783 Q CA -0.592 54.689 55.803 -0.869 0.000 0.812 783 Q CB 0.850 29.308 28.738 -0.466 0.000 1.300 783 Q HN 0.562 nan 8.270 nan 0.000 0.427 784 F N 0.572 120.193 119.950 -0.548 0.000 2.706 784 F HA 0.177 4.704 4.527 -0.000 0.000 0.313 784 F C 0.883 176.303 175.800 -0.633 0.000 1.096 784 F CA -0.079 57.504 58.000 -0.695 0.000 1.219 784 F CB 1.509 39.894 39.000 -1.025 0.000 1.051 784 F HN 0.489 nan 8.300 nan 0.000 0.568 785 T N -0.794 113.506 114.554 -0.424 0.000 2.883 785 T HA 0.754 5.104 4.350 -0.000 0.000 0.284 785 T C -0.488 173.974 174.700 -0.397 0.000 1.041 785 T CA -0.925 60.837 62.100 -0.562 0.000 1.007 785 T CB 2.584 71.072 68.868 -0.635 0.000 1.220 785 T HN 0.226 nan 8.240 nan 0.000 0.552 786 R N -0.538 119.755 120.500 -0.345 0.000 2.774 786 R HA 0.738 5.078 4.340 -0.000 0.000 0.272 786 R C -1.162 175.182 176.300 0.075 0.000 1.000 786 R CA -1.184 54.844 56.100 -0.121 0.000 0.906 786 R CB 1.490 31.727 30.300 -0.106 0.000 1.227 786 R HN 0.823 nan 8.270 nan 0.000 0.468 787 A N 3.386 126.238 122.820 0.054 0.000 2.444 787 A HA 0.325 4.645 4.320 -0.000 0.000 0.287 787 A C -2.029 175.613 177.584 0.097 0.000 1.195 787 A CA -1.556 50.516 52.037 0.059 0.000 0.858 787 A CB -0.467 18.519 19.000 -0.023 0.000 1.117 787 A HN 0.538 nan 8.150 nan 0.000 0.521 788 P HA -0.050 nan 4.420 nan 0.000 0.261 788 P C -0.209 177.193 177.300 0.170 0.000 1.158 788 P CA 0.766 64.016 63.100 0.251 0.000 0.758 788 P CB 0.224 32.098 31.700 0.289 0.000 0.763 789 L N 2.468 123.766 121.223 0.124 0.000 2.454 789 L HA 0.210 4.550 4.340 -0.000 0.000 0.256 789 L C 1.855 178.740 176.870 0.024 0.000 1.136 789 L CA -0.585 54.267 54.840 0.020 0.000 0.804 789 L CB 0.071 42.075 42.059 -0.091 0.000 1.181 789 L HN 0.288 nan 8.230 nan 0.000 0.469 790 D N 0.437 120.792 120.400 -0.075 0.000 2.116 790 D HA -0.170 4.470 4.640 -0.000 0.000 0.193 790 D C 1.631 177.867 176.300 -0.108 0.000 0.998 790 D CA 1.499 55.389 54.000 -0.183 0.000 0.836 790 D CB 0.044 40.648 40.800 -0.327 0.000 0.951 790 D HN 0.489 nan 8.370 nan 0.000 0.449 791 N N 1.136 119.787 118.700 -0.083 0.000 2.205 791 N HA -0.126 4.614 4.740 -0.000 0.000 0.186 791 N C 1.193 176.724 175.510 0.036 0.000 1.015 791 N CA 0.783 53.816 53.050 -0.029 0.000 0.862 791 N CB -0.296 38.159 38.487 -0.052 0.000 0.986 791 N HN 0.252 nan 8.380 nan 0.000 0.429 792 D N 0.174 120.610 120.400 0.061 0.000 2.264 792 D HA 0.013 4.653 4.640 -0.000 0.000 0.208 792 D C 1.894 178.262 176.300 0.114 0.000 0.966 792 D CA 0.431 54.509 54.000 0.131 0.000 0.864 792 D CB 0.151 41.106 40.800 0.258 0.000 0.933 792 D HN 0.353 nan 8.370 nan 0.000 0.499 793 I N -0.412 120.204 120.570 0.077 0.000 2.729 793 I HA 0.110 4.280 4.170 -0.000 0.000 0.256 793 I C 1.892 178.044 176.117 0.058 0.000 1.115 793 I CA 0.605 61.941 61.300 0.059 0.000 1.446 793 I CB -0.149 37.864 38.000 0.022 0.000 1.176 793 I HN 0.072 nan 8.210 nan 0.000 0.446 794 G N 1.419 110.266 108.800 0.077 0.000 2.565 794 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.295 794 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.295 794 G C 0.689 175.756 174.900 0.279 0.000 1.165 794 G CA 0.932 46.140 45.100 0.181 0.000 0.977 794 G HN 0.655 nan 8.290 nan 0.000 0.546 795 V N -2.211 117.807 119.914 0.173 0.000 3.214 795 V HA 0.704 4.824 4.120 -0.000 0.000 0.330 795 V C 0.953 177.069 176.094 0.037 0.000 1.403 795 V CA 1.026 63.386 62.300 0.099 0.000 1.143 795 V CB 0.330 32.116 31.823 -0.063 0.000 1.098 795 V HN 1.254 nan 8.190 nan 0.000 0.463 796 S N 1.320 117.045 115.700 0.042 0.000 2.533 796 S HA 0.361 4.831 4.470 -0.000 0.000 0.282 796 S C -0.149 174.467 174.600 0.026 0.000 1.304 796 S CA 0.191 58.402 58.200 0.018 0.000 1.063 796 S CB 0.466 63.675 63.200 0.014 0.000 0.881 796 S HN 0.815 nan 8.310 nan 0.000 0.493 797 E N 1.857 122.065 120.200 0.014 0.000 2.343 797 E HA 0.618 4.968 4.350 -0.000 0.000 0.270 797 E C 0.639 177.251 176.600 0.021 0.000 0.895 797 E CA -0.387 56.026 56.400 0.022 0.000 0.767 797 E CB 1.517 31.224 29.700 0.012 0.000 1.248 797 E HN 0.626 nan 8.360 nan 0.000 0.440 798 A N 1.461 124.300 122.820 0.032 0.000 1.903 798 A HA -0.261 4.059 4.320 -0.000 0.000 0.219 798 A C 2.115 179.712 177.584 0.022 0.000 1.191 798 A CA 2.791 54.846 52.037 0.031 0.000 0.638 798 A CB -1.234 17.790 19.000 0.041 0.000 0.823 798 A HN 0.751 nan 8.150 nan 0.000 0.451 799 T N -2.330 112.235 114.554 0.019 0.000 2.701 799 T HA -0.090 4.260 4.350 -0.000 0.000 0.263 799 T C 1.187 175.887 174.700 0.000 0.000 1.040 799 T CA 1.294 63.401 62.100 0.011 0.000 1.147 799 T CB -0.124 68.749 68.868 0.009 0.000 0.865 799 T HN 0.346 nan 8.240 nan 0.000 0.426 800 R N 0.549 121.045 120.500 -0.005 0.000 2.402 800 R HA 0.504 4.844 4.340 -0.000 0.000 0.290 800 R C -1.118 175.172 176.300 -0.016 0.000 1.321 800 R CA -0.557 55.533 56.100 -0.017 0.000 1.283 800 R CB 0.205 30.486 30.300 -0.031 0.000 1.111 800 R HN 0.414 nan 8.270 nan 0.000 0.578 801 I N 1.853 122.416 120.570 -0.011 0.000 2.634 801 I HA -0.056 4.114 4.170 -0.000 0.000 0.284 801 I C 0.239 176.341 176.117 -0.025 0.000 1.124 801 I CA 0.528 61.821 61.300 -0.011 0.000 1.417 801 I CB 0.805 38.802 38.000 -0.006 0.000 1.396 801 I HN 0.398 nan 8.210 nan 0.000 0.571 802 D N 8.677 129.060 120.400 -0.029 0.000 2.477 802 D HA 0.279 4.919 4.640 -0.000 0.000 0.239 802 D C -1.693 174.566 176.300 -0.069 0.000 1.102 802 D CA -2.370 51.602 54.000 -0.045 0.000 0.901 802 D CB 1.144 41.921 40.800 -0.039 0.000 1.026 802 D HN 0.133 nan 8.370 nan 0.000 0.515 803 P HA -0.169 nan 4.420 nan 0.000 0.219 803 P C 0.429 177.636 177.300 -0.154 0.000 1.144 803 P CA 1.039 64.082 63.100 -0.096 0.000 0.806 803 P CB 0.286 31.938 31.700 -0.081 0.000 0.771 804 N N -0.551 118.049 118.700 -0.166 0.000 2.373 804 N HA 0.099 4.839 4.740 -0.000 0.000 0.181 804 N C 0.843 176.146 175.510 -0.345 0.000 1.082 804 N CA 0.092 52.987 53.050 -0.257 0.000 0.885 804 N CB -0.065 38.286 38.487 -0.227 0.000 0.977 804 N HN 0.096 nan 8.380 nan 0.000 0.462 805 A N 0.668 123.347 122.820 -0.234 0.000 2.540 805 A HA 0.019 4.339 4.320 -0.000 0.000 0.239 805 A C 0.764 178.143 177.584 -0.342 0.000 1.061 805 A CA -0.339 51.566 52.037 -0.220 0.000 0.758 805 A CB -0.011 18.940 19.000 -0.082 0.000 0.991 805 A HN 0.334 nan 8.150 nan 0.000 0.502 806 W N 1.921 122.958 121.300 -0.439 0.000 2.302 806 W HA -0.224 4.436 4.660 -0.000 0.000 0.320 806 W C 2.271 178.246 176.519 -0.907 0.000 1.241 806 W CA 1.938 58.736 57.345 -0.911 0.000 1.264 806 W CB -0.480 28.291 29.460 -1.149 0.000 1.154 806 W HN 0.564 nan 8.180 nan 0.000 0.483 807 V N 0.776 120.610 119.914 -0.134 0.000 2.324 807 V HA -0.315 3.805 4.120 -0.000 0.000 0.250 807 V C 2.287 178.487 176.094 0.177 0.000 1.060 807 V CA 2.283 64.732 62.300 0.248 0.000 1.042 807 V CB -0.475 31.512 31.823 0.273 0.000 0.650 807 V HN 0.093 nan 8.190 nan 0.000 0.450 808 E N 0.165 120.369 120.200 0.008 0.000 2.051 808 E HA -0.193 4.157 4.350 -0.000 0.000 0.192 808 E C 2.352 178.932 176.600 -0.034 0.000 0.991 808 E CA 1.509 57.904 56.400 -0.009 0.000 0.799 808 E CB -0.394 29.270 29.700 -0.059 0.000 0.748 808 E HN 0.661 nan 8.360 nan 0.000 0.449 809 R N -0.394 120.007 120.500 -0.164 0.000 2.075 809 R HA -0.112 4.228 4.340 -0.000 0.000 0.232 809 R C 2.315 178.570 176.300 -0.074 0.000 1.126 809 R CA 1.066 57.051 56.100 -0.192 0.000 0.963 809 R CB -0.431 29.638 30.300 -0.385 0.000 0.858 809 R HN 0.254 nan 8.270 nan 0.000 0.435 810 W N 2.121 123.379 121.300 -0.070 0.000 2.358 810 W HA -0.056 4.604 4.660 -0.000 0.000 0.303 810 W C 2.071 178.546 176.519 -0.074 0.000 1.208 810 W CA 0.475 57.680 57.345 -0.232 0.000 1.274 810 W CB -0.590 28.870 29.460 -0.001 0.000 1.138 810 W HN 0.119 nan 8.180 nan 0.000 0.515 811 K N -0.094 120.533 120.400 0.378 0.000 1.985 811 K HA -0.125 4.195 4.320 -0.000 0.000 0.210 811 K C 2.203 178.883 176.600 0.134 0.000 1.047 811 K CA 1.751 58.225 56.287 0.312 0.000 0.932 811 K CB -0.690 31.941 32.500 0.218 0.000 0.716 811 K HN -0.015 nan 8.250 nan 0.000 0.439 812 A N 1.281 124.146 122.820 0.076 0.000 1.978 812 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 812 A C 2.214 179.803 177.584 0.008 0.000 1.170 812 A CA 1.949 54.009 52.037 0.038 0.000 0.636 812 A CB -0.528 18.478 19.000 0.010 0.000 0.810 812 A HN 0.395 nan 8.150 nan 0.000 0.448 813 A N -2.062 120.740 122.820 -0.029 0.000 2.119 813 A HA 0.379 4.699 4.320 -0.000 0.000 0.216 813 A C 1.932 179.427 177.584 -0.149 0.000 1.152 813 A CA 1.341 53.358 52.037 -0.035 0.000 0.708 813 A CB -0.813 18.144 19.000 -0.071 0.000 0.805 813 A HN 1.912 nan 8.150 nan 0.000 0.460 814 G N -1.861 106.801 108.800 -0.229 0.000 2.141 814 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.242 814 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.242 814 G C 0.623 175.483 174.900 -0.067 0.000 0.982 814 G CA 0.672 45.437 45.100 -0.558 0.000 0.662 814 G HN 0.723 nan 8.290 nan 0.000 0.527 815 H N -1.239 117.782 119.070 -0.082 0.000 2.353 815 H HA -0.134 4.422 4.556 -0.000 0.000 0.298 815 H C 2.192 177.478 175.328 -0.070 0.000 1.103 815 H CA 1.673 57.680 56.048 -0.069 0.000 1.293 815 H CB 0.032 29.692 29.762 -0.171 0.000 1.372 815 H HN 0.597 nan 8.280 nan 0.000 0.501 816 Y N 0.798 121.214 120.300 0.193 0.000 2.571 816 Y HA -0.124 4.426 4.550 -0.000 0.000 0.294 816 Y C 1.645 177.624 175.900 0.131 0.000 1.141 816 Y CA 0.803 58.981 58.100 0.129 0.000 1.308 816 Y CB 0.322 38.845 38.460 0.105 0.000 1.002 816 Y HN 0.402 nan 8.280 nan 0.000 0.551 817 Q N -0.977 118.979 119.800 0.260 0.000 2.063 817 Q HA 0.474 4.814 4.340 -0.000 0.000 0.245 817 Q C -0.269 175.906 176.000 0.291 0.000 0.828 817 Q CA -0.362 55.595 55.803 0.257 0.000 1.089 817 Q CB 0.308 29.191 28.738 0.240 0.000 1.232 817 Q HN 0.110 nan 8.270 nan 0.000 0.445 818 A N 1.104 124.104 122.820 0.300 0.000 2.351 818 A HA 0.385 4.705 4.320 -0.000 0.000 0.257 818 A C -0.097 177.735 177.584 0.414 0.000 1.087 818 A CA -0.178 52.076 52.037 0.362 0.000 0.798 818 A CB 0.522 19.723 19.000 0.336 0.000 1.033 818 A HN 0.308 nan 8.150 nan 0.000 0.488 819 E N 0.615 120.998 120.200 0.305 0.000 2.133 819 E HA 0.481 4.831 4.350 -0.000 0.000 0.274 819 E C -0.069 176.514 176.600 -0.029 0.000 0.930 819 E CA -0.215 56.289 56.400 0.175 0.000 0.770 819 E CB 1.712 31.481 29.700 0.115 0.000 1.104 819 E HN 0.730 nan 8.360 nan 0.000 0.403 820 A N 2.365 125.047 122.820 -0.231 0.000 2.407 820 A HA 0.601 4.921 4.320 -0.000 0.000 0.248 820 A C -0.230 177.181 177.584 -0.287 0.000 1.082 820 A CA -0.063 51.532 52.037 -0.737 0.000 0.785 820 A CB 0.530 19.101 19.000 -0.716 0.000 1.020 820 A HN 0.553 nan 8.150 nan 0.000 0.489 821 A N 2.069 124.715 122.820 -0.290 0.000 2.375 821 A HA 0.554 4.874 4.320 -0.000 0.000 0.295 821 A C -0.697 176.781 177.584 -0.175 0.000 1.066 821 A CA -0.566 51.385 52.037 -0.144 0.000 0.722 821 A CB 0.725 19.667 19.000 -0.097 0.000 1.206 821 A HN 1.068 nan 8.150 nan 0.000 0.435 822 L N 3.341 124.440 121.223 -0.206 0.000 2.462 822 L HA 0.207 4.547 4.340 -0.000 0.000 0.272 822 L C 0.625 177.348 176.870 -0.246 0.000 1.166 822 L CA 0.069 54.678 54.840 -0.386 0.000 0.880 822 L CB 0.142 42.003 42.059 -0.330 0.000 1.142 822 L HN 0.835 nan 8.230 nan 0.000 0.473 823 L N 3.639 124.709 121.223 -0.255 0.000 2.425 823 L HA 0.199 4.539 4.340 -0.000 0.000 0.215 823 L C 0.447 177.249 176.870 -0.113 0.000 1.065 823 L CA 0.190 54.954 54.840 -0.127 0.000 0.842 823 L CB 0.204 42.224 42.059 -0.066 0.000 1.033 823 L HN 0.793 nan 8.230 nan 0.000 0.474 824 Q N -0.582 119.121 119.800 -0.161 0.000 2.617 824 Q HA 0.289 4.629 4.340 -0.000 0.000 0.270 824 Q C -1.846 174.095 176.000 -0.098 0.000 0.967 824 Q CA -0.756 54.989 55.803 -0.096 0.000 0.887 824 Q CB 2.284 30.997 28.738 -0.041 0.000 1.516 824 Q HN 0.019 nan 8.270 nan 0.000 0.395 825 C N 2.783 122.064 119.300 -0.033 0.000 2.705 825 C HA 0.886 5.346 4.460 -0.000 0.000 0.369 825 C C -1.061 173.998 174.990 0.115 0.000 1.069 825 C CA 0.768 59.804 59.018 0.030 0.000 1.260 825 C CB 0.815 28.564 27.740 0.015 0.000 1.764 825 C HN 0.923 nan 8.230 nan 0.000 0.469 826 T N 2.823 117.415 114.554 0.063 0.000 2.896 826 T HA 0.894 5.244 4.350 -0.000 0.000 0.297 826 T C -0.536 174.034 174.700 -0.217 0.000 1.108 826 T CA -0.018 62.079 62.100 -0.005 0.000 1.004 826 T CB 1.831 70.684 68.868 -0.026 0.000 1.159 826 T HN 2.019 nan 8.240 nan 0.000 0.499 827 A N 1.605 124.166 122.820 -0.431 0.000 2.401 827 A HA 0.838 5.158 4.320 -0.000 0.000 0.310 827 A C -1.209 176.161 177.584 -0.357 0.000 1.075 827 A CA -0.639 51.035 52.037 -0.605 0.000 0.746 827 A CB 1.438 19.674 19.000 -1.273 0.000 1.277 827 A HN 0.893 nan 8.150 nan 0.000 0.425 828 D N 0.201 120.436 120.400 -0.276 0.000 2.736 828 D HA 0.428 5.068 4.640 -0.000 0.000 0.223 828 D C -1.310 174.908 176.300 -0.136 0.000 1.231 828 D CA -0.012 53.886 54.000 -0.169 0.000 0.818 828 D CB 2.411 43.141 40.800 -0.117 0.000 1.587 828 D HN 0.411 nan 8.370 nan 0.000 0.463 829 T N 1.849 116.347 114.554 -0.093 0.000 2.758 829 T HA 0.487 4.837 4.350 -0.000 0.000 0.285 829 T C 0.111 174.784 174.700 -0.044 0.000 0.981 829 T CA -0.512 61.550 62.100 -0.063 0.000 0.965 829 T CB 0.893 69.739 68.868 -0.037 0.000 0.927 829 T HN 0.062 nan 8.240 nan 0.000 0.448 830 L N 1.702 122.901 121.223 -0.041 0.000 2.376 830 L HA 0.667 5.007 4.340 -0.000 0.000 0.267 830 L C 1.751 178.611 176.870 -0.017 0.000 1.035 830 L CA -0.482 54.341 54.840 -0.028 0.000 0.800 830 L CB 0.130 42.172 42.059 -0.029 0.000 1.290 830 L HN 0.694 nan 8.230 nan 0.000 0.462 831 A N -0.276 122.537 122.820 -0.011 0.000 2.019 831 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 831 A C 0.864 178.448 177.584 -0.001 0.000 1.164 831 A CA 1.945 53.979 52.037 -0.004 0.000 0.644 831 A CB -0.692 18.307 19.000 -0.001 0.000 0.805 831 A HN 0.857 nan 8.150 nan 0.000 0.449 832 D N -2.574 117.824 120.400 -0.004 0.000 2.500 832 D HA 0.560 5.199 4.640 -0.000 0.000 0.217 832 D C 0.263 176.557 176.300 -0.010 0.000 1.159 832 D CA 0.660 54.659 54.000 -0.001 0.000 0.828 832 D CB 0.461 41.263 40.800 0.003 0.000 1.039 832 D HN 0.493 nan 8.370 nan 0.000 0.512 833 A N -0.428 122.379 122.820 -0.022 0.000 2.467 833 A HA 0.636 4.956 4.320 -0.000 0.000 0.301 833 A C -1.774 175.776 177.584 -0.057 0.000 1.126 833 A CA -0.765 51.247 52.037 -0.041 0.000 0.632 833 A CB 0.740 19.712 19.000 -0.046 0.000 1.331 833 A HN -0.013 nan 8.150 nan 0.000 0.482 834 V N 0.274 120.134 119.914 -0.089 0.000 2.581 834 V HA 0.695 4.815 4.120 -0.000 0.000 0.303 834 V C -0.922 175.092 176.094 -0.134 0.000 1.041 834 V CA -0.482 61.748 62.300 -0.117 0.000 0.907 834 V CB 1.370 33.110 31.823 -0.137 0.000 0.994 834 V HN 0.829 nan 8.190 nan 0.000 0.442 835 L N 5.699 126.834 121.223 -0.146 0.000 2.356 835 L HA 0.680 5.020 4.340 -0.000 0.000 0.277 835 L C -0.969 175.787 176.870 -0.191 0.000 0.996 835 L CA -0.085 54.677 54.840 -0.131 0.000 0.822 835 L CB 1.475 43.480 42.059 -0.090 0.000 1.256 835 L HN 0.407 nan 8.230 nan 0.000 0.413 836 I N 3.455 123.920 120.570 -0.174 0.000 2.474 836 I HA 0.594 4.764 4.170 -0.000 0.000 0.294 836 I C 0.146 176.251 176.117 -0.021 0.000 1.005 836 I CA -0.417 60.745 61.300 -0.229 0.000 1.113 836 I CB 1.784 39.456 38.000 -0.546 0.000 1.289 836 I HN 0.705 nan 8.210 nan 0.000 0.436 837 T N 1.932 116.472 114.554 -0.023 0.000 2.886 837 T HA 0.850 5.200 4.350 -0.000 0.000 0.292 837 T C -0.364 174.389 174.700 0.089 0.000 1.012 837 T CA -0.463 61.676 62.100 0.064 0.000 0.982 837 T CB 2.042 70.927 68.868 0.028 0.000 1.018 837 T HN 0.779 nan 8.240 nan 0.000 0.451 838 T N -0.452 114.196 114.554 0.157 0.000 2.887 838 T HA 0.884 5.234 4.350 -0.000 0.000 0.292 838 T C -0.751 174.032 174.700 0.138 0.000 1.087 838 T CA -0.823 61.358 62.100 0.136 0.000 1.009 838 T CB 1.648 70.697 68.868 0.302 0.000 1.203 838 T HN 1.620 nan 8.240 nan 0.000 0.518 839 A N 1.319 124.154 122.820 0.024 0.000 2.480 839 A HA 0.711 5.031 4.320 -0.000 0.000 0.289 839 A C -1.485 176.058 177.584 -0.069 0.000 1.044 839 A CA -0.770 51.323 52.037 0.093 0.000 0.761 839 A CB 0.669 19.698 19.000 0.049 0.000 1.289 839 A HN 0.977 nan 8.150 nan 0.000 0.401 840 H N 0.258 119.388 119.070 0.100 0.000 2.834 840 H HA 0.877 5.433 4.556 -0.000 0.000 0.369 840 H C -0.001 175.345 175.328 0.029 0.000 1.174 840 H CA 0.108 56.124 56.048 -0.053 0.000 1.165 840 H CB 2.104 31.708 29.762 -0.263 0.000 1.820 840 H HN 1.058 nan 8.280 nan 0.000 0.558 841 A N 1.029 123.841 122.820 -0.014 0.000 2.398 841 A HA 0.416 4.736 4.320 -0.000 0.000 0.301 841 A C -1.499 176.095 177.584 0.016 0.000 1.041 841 A CA -0.730 51.388 52.037 0.135 0.000 0.711 841 A CB 1.178 20.234 19.000 0.093 0.000 1.240 841 A HN 0.549 nan 8.150 nan 0.000 0.420 842 W N 2.093 123.476 121.300 0.138 0.000 2.361 842 W HA 0.451 5.111 4.660 -0.000 0.000 0.309 842 W C -0.218 176.273 176.519 -0.047 0.000 1.122 842 W CA -0.173 57.225 57.345 0.089 0.000 1.208 842 W CB 1.587 31.124 29.460 0.129 0.000 1.246 842 W HN 0.768 nan 8.180 nan 0.000 0.490 843 Q N 1.383 121.286 119.800 0.172 0.000 2.496 843 Q HA 0.466 4.806 4.340 -0.000 0.000 0.286 843 Q C -0.926 175.188 176.000 0.190 0.000 1.103 843 Q CA -0.943 54.927 55.803 0.112 0.000 0.813 843 Q CB 3.516 32.291 28.738 0.062 0.000 1.444 843 Q HN 0.389 nan 8.270 nan 0.000 0.443 844 H N 1.036 120.123 119.070 0.027 0.000 3.179 844 H HA 0.066 4.622 4.556 -0.000 0.000 0.331 844 H C -1.072 174.278 175.328 0.037 0.000 1.013 844 H CA -0.066 56.011 56.048 0.048 0.000 1.430 844 H CB 1.034 30.833 29.762 0.062 0.000 1.895 844 H HN 0.863 nan 8.280 nan 0.000 0.468 845 Q N 3.300 122.872 119.800 -0.380 0.000 2.451 845 Q HA -0.245 4.095 4.340 -0.000 0.000 0.305 845 Q C 0.974 176.927 176.000 -0.077 0.000 1.345 845 Q CA 1.172 56.823 55.803 -0.254 0.000 0.854 845 Q CB -1.444 27.111 28.738 -0.305 0.000 1.162 845 Q HN 1.173 nan 8.270 nan 0.000 0.440 846 G N -0.290 108.485 108.800 -0.042 0.000 2.234 846 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.260 846 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.260 846 G C 0.101 175.008 174.900 0.012 0.000 0.987 846 G CA 0.704 45.798 45.100 -0.009 0.000 0.625 846 G HN 0.410 nan 8.290 nan 0.000 0.532 847 K N 1.099 121.516 120.400 0.029 0.000 2.130 847 K HA 0.627 4.947 4.320 -0.000 0.000 0.268 847 K C -0.233 176.380 176.600 0.021 0.000 0.983 847 K CA -0.110 56.197 56.287 0.032 0.000 0.893 847 K CB 0.906 33.434 32.500 0.047 0.000 1.066 847 K HN 0.009 nan 8.250 nan 0.000 0.450 848 T N 5.521 120.077 114.554 0.003 0.000 2.733 848 T HA 0.236 4.586 4.350 -0.000 0.000 0.294 848 T C 1.107 175.745 174.700 -0.104 0.000 0.956 848 T CA -0.591 61.501 62.100 -0.014 0.000 0.987 848 T CB 0.525 69.407 68.868 0.024 0.000 0.920 848 T HN 0.521 nan 8.240 nan 0.000 0.470 849 L N 2.042 123.087 121.223 -0.297 0.000 2.084 849 L HA 0.334 4.674 4.340 -0.000 0.000 0.202 849 L C 0.087 176.508 176.870 -0.748 0.000 1.074 849 L CA 0.989 55.388 54.840 -0.734 0.000 0.757 849 L CB -0.110 41.026 42.059 -1.538 0.000 0.918 849 L HN 0.516 nan 8.230 nan 0.000 0.444 850 F N -1.034 118.871 119.950 -0.074 0.000 2.629 850 F HA 0.616 5.143 4.527 -0.000 0.000 0.316 850 F C -0.381 175.535 175.800 0.193 0.000 1.081 850 F CA -0.922 57.007 58.000 -0.119 0.000 0.954 850 F CB 2.163 40.752 39.000 -0.684 0.000 1.337 850 F HN -0.310 nan 8.300 nan 0.000 0.474 851 I N 1.393 122.218 120.570 0.425 0.000 2.499 851 I HA 0.317 4.487 4.170 -0.000 0.000 0.288 851 I C -1.011 175.385 176.117 0.464 0.000 1.048 851 I CA -0.503 61.061 61.300 0.441 0.000 1.062 851 I CB 2.209 40.377 38.000 0.280 0.000 1.238 851 I HN 0.545 nan 8.210 nan 0.000 0.426 852 S N 6.970 123.043 115.700 0.621 0.000 2.552 852 S HA 0.576 5.046 4.470 -0.000 0.000 0.314 852 S C -0.729 174.128 174.600 0.427 0.000 1.099 852 S CA -0.659 57.870 58.200 0.547 0.000 1.070 852 S CB 0.754 64.390 63.200 0.727 0.000 0.998 852 S HN 0.576 nan 8.310 nan 0.000 0.474 853 R N 3.617 124.289 120.500 0.286 0.000 2.393 853 R HA 0.536 4.876 4.340 -0.000 0.000 0.315 853 R C -0.699 175.679 176.300 0.132 0.000 0.952 853 R CA -0.737 55.489 56.100 0.210 0.000 0.842 853 R CB 1.842 32.240 30.300 0.162 0.000 1.163 853 R HN 0.564 nan 8.270 nan 0.000 0.450 854 K N 0.635 121.107 120.400 0.119 0.000 2.395 854 K HA 0.539 4.859 4.320 -0.000 0.000 0.245 854 K C -0.650 175.931 176.600 -0.033 0.000 1.017 854 K CA -0.960 55.309 56.287 -0.030 0.000 0.852 854 K CB 2.355 34.766 32.500 -0.149 0.000 1.311 854 K HN 0.591 nan 8.250 nan 0.000 0.452 855 T N -1.366 113.088 114.554 -0.167 0.000 2.952 855 T HA 0.526 4.876 4.350 -0.000 0.000 0.305 855 T C -1.485 173.119 174.700 -0.160 0.000 1.064 855 T CA -0.778 61.280 62.100 -0.069 0.000 1.008 855 T CB 0.398 69.254 68.868 -0.019 0.000 1.078 855 T HN 0.407 nan 8.240 nan 0.000 0.459 856 Y N 1.472 121.756 120.300 -0.026 0.000 2.350 856 Y HA 0.706 5.256 4.550 0.000 0.000 0.338 856 Y C 0.433 176.283 175.900 -0.084 0.000 0.961 856 Y CA -1.141 56.952 58.100 -0.012 0.000 1.100 856 Y CB 1.930 40.418 38.460 0.046 0.000 1.179 856 Y HN 0.854 nan 8.280 nan 0.000 0.454 857 R N 4.536 125.083 120.500 0.079 0.000 2.483 857 R HA 0.641 4.981 4.340 -0.000 0.000 0.303 857 R C -2.030 174.233 176.300 -0.062 0.000 0.987 857 R CA -0.349 55.743 56.100 -0.013 0.000 0.881 857 R CB 0.738 31.033 30.300 -0.009 0.000 1.177 857 R HN 0.813 nan 8.270 nan 0.000 0.451 858 I N 5.086 125.565 120.570 -0.152 0.000 2.339 858 I HA 0.237 4.407 4.170 -0.000 0.000 0.290 858 I C -0.277 175.740 176.117 -0.166 0.000 0.994 858 I CA -0.894 60.254 61.300 -0.254 0.000 1.191 858 I CB 1.488 39.173 38.000 -0.524 0.000 1.343 858 I HN 0.739 nan 8.210 nan 0.000 0.458 859 D N 4.370 124.706 120.400 -0.107 0.000 2.549 859 D HA 0.239 4.879 4.640 -0.000 0.000 0.270 859 D C 1.217 177.499 176.300 -0.029 0.000 1.181 859 D CA -0.702 53.267 54.000 -0.052 0.000 1.070 859 D CB 0.777 41.565 40.800 -0.021 0.000 1.154 859 D HN 0.496 nan 8.370 nan 0.000 0.602 860 G N -1.446 107.350 108.800 -0.007 0.000 2.679 860 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.212 860 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.212 860 G C 1.127 176.031 174.900 0.008 0.000 1.137 860 G CA 0.878 45.984 45.100 0.009 0.000 0.787 860 G HN 0.524 nan 8.290 nan 0.000 0.534 861 S N -1.004 114.701 115.700 0.007 0.000 2.558 861 S HA 0.367 4.837 4.470 -0.000 0.000 0.217 861 S C 1.765 176.396 174.600 0.052 0.000 0.975 861 S CA 0.926 59.133 58.200 0.012 0.000 0.912 861 S CB 0.045 63.251 63.200 0.009 0.000 0.776 861 S HN 1.395 nan 8.310 nan 0.000 0.526 862 G N 0.815 109.662 108.800 0.078 0.000 2.132 862 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.234 862 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.234 862 G C -0.307 174.694 174.900 0.169 0.000 0.989 862 G CA 0.021 45.230 45.100 0.182 0.000 0.676 862 G HN 0.633 nan 8.290 nan 0.000 0.522 863 Q N -0.580 119.264 119.800 0.074 0.000 2.235 863 Q HA 0.700 5.040 4.340 -0.000 0.000 0.256 863 Q C 0.037 176.051 176.000 0.024 0.000 0.951 863 Q CA -0.542 55.312 55.803 0.086 0.000 0.890 863 Q CB 1.926 30.714 28.738 0.083 0.000 1.279 863 Q HN 0.367 nan 8.270 nan 0.000 0.444 864 M N 1.888 121.538 119.600 0.084 0.000 2.114 864 M HA 0.533 5.013 4.480 -0.000 0.000 0.332 864 M C -1.471 174.926 176.300 0.161 0.000 1.014 864 M CA -0.521 54.815 55.300 0.060 0.000 0.956 864 M CB 1.181 33.821 32.600 0.066 0.000 1.551 864 M HN 0.783 nan 8.290 nan 0.000 0.427 865 A N 6.917 129.802 122.820 0.108 0.000 2.276 865 A HA 0.759 5.079 4.320 -0.000 0.000 0.316 865 A C -0.831 176.800 177.584 0.078 0.000 1.229 865 A CA -0.664 51.437 52.037 0.106 0.000 0.851 865 A CB 0.480 19.523 19.000 0.071 0.000 1.165 865 A HN 0.904 nan 8.150 nan 0.000 0.513 866 I N 1.405 122.005 120.570 0.051 0.000 2.530 866 I HA 0.471 4.641 4.170 -0.000 0.000 0.297 866 I C -0.142 175.875 176.117 -0.166 0.000 1.011 866 I CA -0.377 60.866 61.300 -0.095 0.000 1.107 866 I CB 2.403 40.365 38.000 -0.062 0.000 1.285 866 I HN 0.501 nan 8.210 nan 0.000 0.436 867 T N 4.862 119.259 114.554 -0.261 0.000 2.879 867 T HA 0.537 4.887 4.350 -0.000 0.000 0.290 867 T C -0.721 173.769 174.700 -0.350 0.000 0.993 867 T CA -0.370 61.573 62.100 -0.263 0.000 0.975 867 T CB 1.859 70.668 68.868 -0.098 0.000 0.981 867 T HN 0.245 nan 8.240 nan 0.000 0.439 868 V N 4.187 123.766 119.914 -0.558 0.000 2.588 868 V HA 0.571 4.691 4.120 -0.000 0.000 0.304 868 V C -0.782 175.145 176.094 -0.278 0.000 1.042 868 V CA -0.909 61.090 62.300 -0.501 0.000 0.877 868 V CB 2.083 33.339 31.823 -0.944 0.000 0.996 868 V HN 0.844 nan 8.190 nan 0.000 0.425 869 D N 3.355 123.763 120.400 0.012 0.000 2.696 869 D HA 0.536 5.176 4.640 -0.000 0.000 0.251 869 D C -1.090 175.348 176.300 0.230 0.000 1.188 869 D CA -0.147 53.966 54.000 0.188 0.000 0.876 869 D CB 2.899 43.841 40.800 0.237 0.000 1.334 869 D HN 0.272 nan 8.370 nan 0.000 0.540 870 V N 1.806 121.895 119.914 0.292 0.000 2.715 870 V HA 0.376 4.496 4.120 -0.000 0.000 0.310 870 V C 0.026 176.278 176.094 0.264 0.000 1.054 870 V CA -0.736 61.741 62.300 0.295 0.000 0.928 870 V CB 2.633 34.650 31.823 0.324 0.000 1.007 870 V HN 0.393 nan 8.190 nan 0.000 0.437 871 E N 1.752 122.094 120.200 0.238 0.000 2.210 871 E HA 0.651 5.001 4.350 -0.000 0.000 0.266 871 E C -1.651 175.082 176.600 0.221 0.000 0.883 871 E CA -0.563 55.959 56.400 0.202 0.000 0.761 871 E CB 2.612 32.415 29.700 0.171 0.000 1.156 871 E HN 0.422 nan 8.360 nan 0.000 0.412 872 V N 2.114 122.158 119.914 0.217 0.000 2.487 872 V HA 0.397 4.517 4.120 -0.000 0.000 0.298 872 V C 0.028 176.237 176.094 0.192 0.000 1.028 872 V CA -0.911 61.542 62.300 0.255 0.000 0.860 872 V CB 1.560 33.542 31.823 0.265 0.000 0.991 872 V HN 0.843 nan 8.190 nan 0.000 0.427 873 A N 3.377 126.283 122.820 0.144 0.000 2.546 873 A HA 0.260 4.580 4.320 -0.000 0.000 0.243 873 A C 1.630 179.302 177.584 0.147 0.000 1.063 873 A CA 0.665 52.766 52.037 0.106 0.000 0.757 873 A CB 0.240 19.270 19.000 0.050 0.000 0.991 873 A HN 1.380 nan 8.150 nan 0.000 0.503 874 S N 1.304 117.080 115.700 0.127 0.000 2.442 874 S HA -0.149 4.321 4.470 -0.000 0.000 0.236 874 S C 0.885 175.572 174.600 0.144 0.000 1.007 874 S CA 1.343 59.631 58.200 0.147 0.000 0.965 874 S CB -0.268 62.995 63.200 0.105 0.000 0.773 874 S HN 0.817 nan 8.310 nan 0.000 0.504 875 D N 0.459 120.923 120.400 0.106 0.000 2.342 875 D HA 0.140 4.780 4.640 -0.000 0.000 0.221 875 D C 0.525 176.876 176.300 0.086 0.000 1.101 875 D CA -0.011 54.038 54.000 0.081 0.000 0.837 875 D CB -0.265 40.566 40.800 0.052 0.000 0.938 875 D HN 0.332 nan 8.370 nan 0.000 0.508 876 T N 0.618 115.254 114.554 0.137 0.000 2.943 876 T HA 0.456 4.806 4.350 -0.000 0.000 0.284 876 T C -2.690 172.136 174.700 0.209 0.000 1.015 876 T CA -2.025 60.183 62.100 0.180 0.000 1.042 876 T CB 1.394 70.399 68.868 0.229 0.000 1.055 876 T HN -0.212 nan 8.240 nan 0.000 0.500 877 P HA 0.196 nan 4.420 nan 0.000 0.271 877 P C -0.598 176.991 177.300 0.481 0.000 1.216 877 P CA -0.217 62.982 63.100 0.166 0.000 0.771 877 P CB 0.113 31.893 31.700 0.135 0.000 0.864 878 H N 3.073 122.483 119.070 0.566 0.000 3.034 878 H HA 0.074 4.630 4.556 -0.000 0.000 0.324 878 H C -1.902 173.761 175.328 0.558 0.000 1.015 878 H CA -1.634 54.692 56.048 0.463 0.000 1.429 878 H CB -0.963 29.003 29.762 0.341 0.000 1.429 878 H HN 0.300 nan 8.280 nan 0.000 0.585 879 P HA 0.082 nan 4.420 nan 0.000 0.275 879 P C 0.451 177.669 177.300 -0.138 0.000 1.228 879 P CA -0.300 62.860 63.100 0.101 0.000 0.786 879 P CB 0.771 32.374 31.700 -0.162 0.000 0.927 880 A N 3.481 125.993 122.820 -0.513 0.000 1.972 880 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 880 A C 1.037 178.246 177.584 -0.625 0.000 1.169 880 A CA 1.573 53.253 52.037 -0.595 0.000 0.635 880 A CB -0.606 17.847 19.000 -0.913 0.000 0.810 880 A HN 0.769 nan 8.150 nan 0.000 0.446 881 R N -3.016 117.157 120.500 -0.545 0.000 2.752 881 R HA 0.689 5.029 4.340 -0.000 0.000 0.277 881 R C -1.893 174.171 176.300 -0.394 0.000 1.024 881 R CA -0.825 54.972 56.100 -0.504 0.000 0.866 881 R CB 0.538 30.486 30.300 -0.587 0.000 1.278 881 R HN 0.035 nan 8.270 nan 0.000 0.473 882 I N 1.160 121.530 120.570 -0.335 0.000 2.540 882 I HA 0.640 4.810 4.170 -0.000 0.000 0.280 882 I C -0.444 175.432 176.117 -0.401 0.000 1.083 882 I CA -0.443 60.662 61.300 -0.326 0.000 1.080 882 I CB 1.728 39.616 38.000 -0.186 0.000 1.205 882 I HN 1.009 nan 8.210 nan 0.000 0.459 883 G N 5.928 114.450 108.800 -0.463 0.000 2.578 883 G HA2 0.725 4.685 3.960 -0.000 0.000 0.302 883 G HA3 0.725 4.685 3.960 -0.000 0.000 0.302 883 G C -1.768 172.957 174.900 -0.292 0.000 1.243 883 G CA -0.525 44.357 45.100 -0.363 0.000 0.843 883 G HN 0.294 nan 8.290 nan 0.000 0.486 884 L N 0.671 121.769 121.223 -0.209 0.000 2.327 884 L HA 0.682 5.022 4.340 -0.000 0.000 0.258 884 L C -0.845 175.920 176.870 -0.175 0.000 1.024 884 L CA -1.139 53.600 54.840 -0.168 0.000 0.825 884 L CB 2.638 44.663 42.059 -0.058 0.000 1.386 884 L HN 0.875 nan 8.230 nan 0.000 0.417 885 N N 0.223 118.849 118.700 -0.124 0.000 2.927 885 N HA 0.688 5.428 4.740 -0.000 0.000 0.248 885 N C -1.275 174.244 175.510 0.015 0.000 1.443 885 N CA -0.552 52.460 53.050 -0.064 0.000 0.870 885 N CB 2.167 40.633 38.487 -0.036 0.000 1.444 885 N HN 0.884 nan 8.380 nan 0.000 0.519 886 C N -1.924 117.423 119.300 0.079 0.000 3.253 886 C HA 0.566 5.026 4.460 -0.000 0.000 0.342 886 C C -1.377 173.532 174.990 -0.135 0.000 1.306 886 C CA -0.860 58.178 59.018 0.033 0.000 1.207 886 C CB 0.937 28.681 27.740 0.008 0.000 1.479 886 C HN 0.880 nan 8.230 nan 0.000 0.469 887 Q N 1.361 120.871 119.800 -0.484 0.000 2.372 887 Q HA 0.640 4.980 4.340 -0.000 0.000 0.259 887 Q C -1.009 174.715 176.000 -0.460 0.000 0.993 887 Q CA -0.423 54.825 55.803 -0.925 0.000 0.854 887 Q CB 0.822 28.636 28.738 -1.542 0.000 1.231 887 Q HN 0.756 nan 8.270 nan 0.000 0.462 888 L N 2.743 123.779 121.223 -0.311 0.000 2.397 888 L HA 0.257 4.597 4.340 -0.000 0.000 0.271 888 L C 1.201 177.983 176.870 -0.146 0.000 1.148 888 L CA -0.236 54.526 54.840 -0.130 0.000 0.825 888 L CB 0.961 43.039 42.059 0.032 0.000 1.117 888 L HN 0.819 nan 8.230 nan 0.000 0.456 889 A N 2.546 125.300 122.820 -0.109 0.000 1.969 889 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 889 A C 1.133 178.680 177.584 -0.061 0.000 1.169 889 A CA 0.760 52.731 52.037 -0.109 0.000 0.635 889 A CB -0.263 18.668 19.000 -0.115 0.000 0.810 889 A HN 0.817 nan 8.150 nan 0.000 0.445 890 Q N -0.599 119.195 119.800 -0.011 0.000 2.382 890 Q HA 0.464 4.804 4.340 -0.000 0.000 0.229 890 Q C -1.128 174.881 176.000 0.016 0.000 1.006 890 Q CA 0.096 55.891 55.803 -0.014 0.000 0.916 890 Q CB 0.938 29.672 28.738 -0.007 0.000 1.235 890 Q HN 0.141 nan 8.270 nan 0.000 0.512 891 V N 2.095 121.986 119.914 -0.039 0.000 2.610 891 V HA 0.739 4.859 4.120 -0.000 0.000 0.298 891 V C -0.866 175.180 176.094 -0.080 0.000 1.067 891 V CA -0.119 62.196 62.300 0.024 0.000 0.894 891 V CB 1.096 32.930 31.823 0.017 0.000 1.015 891 V HN 0.945 nan 8.190 nan 0.000 0.432 892 A N 3.278 126.007 122.820 -0.152 0.000 2.347 892 A HA 0.883 5.203 4.320 -0.000 0.000 0.301 892 A C 0.632 178.259 177.584 0.071 0.000 1.163 892 A CA -0.302 51.629 52.037 -0.176 0.000 0.860 892 A CB 1.496 20.193 19.000 -0.506 0.000 1.367 892 A HN 0.734 nan 8.150 nan 0.000 0.461 893 E N -0.296 119.932 120.200 0.047 0.000 2.060 893 E HA 0.069 4.419 4.350 -0.000 0.000 0.189 893 E C 0.613 177.299 176.600 0.143 0.000 0.974 893 E CA 1.020 57.471 56.400 0.086 0.000 0.808 893 E CB 0.141 29.868 29.700 0.046 0.000 0.768 893 E HN 0.527 nan 8.360 nan 0.000 0.453 894 R N -0.576 120.020 120.500 0.159 0.000 2.856 894 R HA 0.602 4.942 4.340 -0.000 0.000 0.258 894 R C -1.091 175.396 176.300 0.312 0.000 1.066 894 R CA -0.923 55.297 56.100 0.200 0.000 1.045 894 R CB 2.141 32.527 30.300 0.143 0.000 1.178 894 R HN -0.134 nan 8.270 nan 0.000 0.499 895 V N 1.553 121.655 119.914 0.312 0.000 2.623 895 V HA 0.332 4.452 4.120 -0.000 0.000 0.304 895 V C -0.653 175.709 176.094 0.447 0.000 1.054 895 V CA -0.948 61.575 62.300 0.371 0.000 0.882 895 V CB 1.912 33.907 31.823 0.287 0.000 1.002 895 V HN 0.718 nan 8.190 nan 0.000 0.424 896 N N 4.072 123.026 118.700 0.423 0.000 2.295 896 N HA 0.549 5.289 4.740 -0.000 0.000 0.293 896 N C -1.469 174.312 175.510 0.451 0.000 1.040 896 N CA -0.399 52.872 53.050 0.367 0.000 0.840 896 N CB 2.914 41.509 38.487 0.180 0.000 1.468 896 N HN 0.830 nan 8.380 nan 0.000 0.478 897 W N 3.139 124.497 121.300 0.096 0.000 3.074 897 W HA 0.613 5.273 4.660 -0.000 0.000 0.332 897 W C -2.148 174.373 176.519 0.003 0.000 1.253 897 W CA -1.072 56.314 57.345 0.068 0.000 1.180 897 W CB 0.732 30.264 29.460 0.119 0.000 1.445 897 W HN 0.237 nan 8.180 nan 0.000 0.573 898 L N 3.914 125.150 121.223 0.022 0.000 2.324 898 L HA 0.910 5.250 4.340 -0.000 0.000 0.274 898 L C -0.022 176.799 176.870 -0.082 0.000 1.012 898 L CA 0.395 55.082 54.840 -0.256 0.000 0.859 898 L CB 0.756 42.718 42.059 -0.162 0.000 1.224 898 L HN 1.030 nan 8.230 nan 0.000 0.429 899 G N 3.661 112.325 108.800 -0.226 0.000 2.392 899 G HA2 0.190 4.150 3.960 -0.000 0.000 0.260 899 G HA3 0.190 4.150 3.960 -0.000 0.000 0.260 899 G C -1.586 173.466 174.900 0.254 0.000 1.226 899 G CA -1.011 44.175 45.100 0.143 0.000 0.913 899 G HN 0.369 nan 8.290 nan 0.000 0.483 900 L N 1.523 122.975 121.223 0.381 0.000 2.361 900 L HA 0.582 4.922 4.340 -0.000 0.000 0.278 900 L C 0.967 177.904 176.870 0.111 0.000 1.113 900 L CA 0.511 55.494 54.840 0.239 0.000 0.849 900 L CB 0.440 42.571 42.059 0.120 0.000 1.155 900 L HN 0.975 nan 8.230 nan 0.000 0.452 901 G N 3.560 112.162 108.800 -0.330 0.000 2.606 901 G HA2 0.471 4.431 3.960 -0.000 0.000 0.300 901 G HA3 0.471 4.431 3.960 -0.000 0.000 0.300 901 G C -2.750 171.285 174.900 -1.442 0.000 1.360 901 G CA -0.376 44.056 45.100 -1.114 0.000 0.783 901 G HN 0.306 nan 8.290 nan 0.000 0.484 902 P HA 0.135 nan 4.420 nan 0.000 0.252 902 P C 0.209 177.304 177.300 -0.343 0.000 1.211 902 P CA 0.305 62.808 63.100 -0.995 0.000 0.824 902 P CB 0.613 31.883 31.700 -0.717 0.000 1.077 903 Q N 0.822 120.424 119.800 -0.330 0.000 2.318 903 Q HA 0.136 4.476 4.340 -0.000 0.000 0.222 903 Q C 0.336 176.210 176.000 -0.210 0.000 1.003 903 Q CA -0.527 55.153 55.803 -0.205 0.000 0.936 903 Q CB 0.784 29.429 28.738 -0.155 0.000 1.204 903 Q HN 0.176 nan 8.270 nan 0.000 0.524 904 E N 1.389 121.476 120.200 -0.190 0.000 2.608 904 E HA -0.146 4.204 4.350 -0.000 0.000 0.259 904 E C -1.027 175.482 176.600 -0.152 0.000 0.951 904 E CA 0.360 56.640 56.400 -0.200 0.000 0.945 904 E CB 0.199 29.853 29.700 -0.077 0.000 0.916 904 E HN 0.611 nan 8.360 nan 0.000 0.477 905 N N 2.776 121.304 118.700 -0.287 0.000 2.308 905 N HA 0.346 5.086 4.740 -0.000 0.000 0.283 905 N C -1.856 173.412 175.510 -0.403 0.000 1.105 905 N CA -0.680 52.257 53.050 -0.190 0.000 0.840 905 N CB 0.737 39.134 38.487 -0.150 0.000 1.633 905 N HN 0.225 nan 8.380 nan 0.000 0.476 906 Y N -0.191 120.020 120.300 -0.148 0.000 2.602 906 Y HA 0.513 5.063 4.550 -0.000 0.000 0.342 906 Y C -1.654 174.179 175.900 -0.112 0.000 1.029 906 Y CA -2.060 55.942 58.100 -0.162 0.000 1.080 906 Y CB 1.751 40.108 38.460 -0.172 0.000 1.284 906 Y HN 0.423 nan 8.280 nan 0.000 0.485 907 P HA -0.189 nan 4.420 nan 0.000 0.216 907 P C 0.439 177.678 177.300 -0.102 0.000 1.157 907 P CA 2.209 65.358 63.100 0.080 0.000 0.880 907 P CB 0.182 32.014 31.700 0.221 0.000 0.791 908 D N -2.102 118.039 120.400 -0.431 0.000 2.358 908 D HA 0.007 4.647 4.640 -0.000 0.000 0.224 908 D C 0.553 176.714 176.300 -0.233 0.000 1.123 908 D CA 0.033 53.575 54.000 -0.763 0.000 0.833 908 D CB -0.246 39.767 40.800 -1.312 0.000 0.946 908 D HN 0.139 nan 8.370 nan 0.000 0.505 909 R N 1.017 121.479 120.500 -0.064 0.000 2.928 909 R HA 0.213 4.553 4.340 -0.000 0.000 0.248 909 R C -0.763 175.572 176.300 0.058 0.000 1.796 909 R CA -0.219 55.898 56.100 0.029 0.000 1.477 909 R CB 0.083 30.401 30.300 0.031 0.000 1.484 909 R HN 0.117 nan 8.270 nan 0.000 0.623 910 L N -0.892 120.376 121.223 0.074 0.000 3.664 910 L HA 0.289 4.629 4.340 -0.000 0.000 0.341 910 L C 1.236 178.169 176.870 0.105 0.000 1.247 910 L CA 0.225 55.106 54.840 0.068 0.000 1.133 910 L CB 0.112 42.194 42.059 0.038 0.000 1.498 910 L HN 0.162 nan 8.230 nan 0.000 0.628 911 T N -2.377 112.267 114.554 0.150 0.000 2.881 911 T HA 0.001 4.351 4.350 -0.000 0.000 0.270 911 T C 1.700 176.502 174.700 0.170 0.000 1.068 911 T CA 1.392 63.608 62.100 0.192 0.000 1.131 911 T CB -0.294 68.729 68.868 0.257 0.000 0.871 911 T HN 0.431 nan 8.240 nan 0.000 0.479 912 A N 1.284 124.210 122.820 0.176 0.000 2.119 912 A HA 0.676 4.996 4.320 -0.000 0.000 0.216 912 A C 1.686 179.368 177.584 0.162 0.000 1.152 912 A CA 0.494 52.605 52.037 0.124 0.000 0.708 912 A CB -0.864 18.320 19.000 0.307 0.000 0.805 912 A HN 0.821 nan 8.150 nan 0.000 0.460 916 D N 3.058 122.875 120.400 -0.971 0.000 3.145 916 D HA 0.324 4.964 4.640 -0.000 0.000 0.345 916 D C -1.508 173.878 176.300 -1.523 0.000 1.391 916 D CA -0.675 52.574 54.000 -1.251 0.000 0.930 916 D CB 2.204 42.221 40.800 -1.304 0.000 1.451 916 D HN 0.628 nan 8.370 nan 0.000 0.555 917 R N 0.524 120.176 120.500 -1.414 0.000 2.229 917 R HA 0.478 4.818 4.340 -0.000 0.000 0.332 917 R C -1.275 174.218 176.300 -1.345 0.000 0.989 917 R CA -0.414 55.011 56.100 -1.126 0.000 0.842 917 R CB 0.504 30.416 30.300 -0.647 0.000 1.119 917 R HN 0.240 nan 8.270 nan 0.000 0.456 918 W N 2.785 123.524 121.300 -0.933 0.000 2.689 918 W HA 0.402 5.062 4.660 -0.000 0.000 0.340 918 W C -0.447 175.682 176.519 -0.649 0.000 1.060 918 W CA -0.638 56.101 57.345 -1.009 0.000 1.218 918 W CB 1.567 29.886 29.460 -1.902 0.000 1.410 918 W HN 0.337 nan 8.180 nan 0.000 0.528 919 D N 3.108 123.454 120.400 -0.091 0.000 2.686 919 D HA 0.519 5.159 4.640 -0.000 0.000 0.249 919 D C -1.275 175.122 176.300 0.162 0.000 1.260 919 D CA -0.121 53.925 54.000 0.078 0.000 0.910 919 D CB 1.210 42.022 40.800 0.020 0.000 1.323 919 D HN 0.394 nan 8.370 nan 0.000 0.561 920 L N 2.654 124.044 121.223 0.279 0.000 2.397 920 L HA 0.560 4.900 4.340 -0.000 0.000 0.251 920 L C -2.557 174.436 176.870 0.205 0.000 1.064 920 L CA -2.135 52.845 54.840 0.232 0.000 0.859 920 L CB 2.733 44.963 42.059 0.284 0.000 1.468 920 L HN 0.187 nan 8.230 nan 0.000 0.411 921 P HA 0.166 nan 4.420 nan 0.000 0.290 921 P C 0.463 177.841 177.300 0.131 0.000 1.276 921 P CA -0.509 62.669 63.100 0.131 0.000 0.808 921 P CB 1.321 33.077 31.700 0.094 0.000 0.966 922 L N 3.678 124.984 121.223 0.139 0.000 2.085 922 L HA -0.317 4.023 4.340 -0.000 0.000 0.218 922 L C 2.187 179.110 176.870 0.088 0.000 1.080 922 L CA 2.844 57.752 54.840 0.114 0.000 0.776 922 L CB -1.525 40.615 42.059 0.135 0.000 0.891 922 L HN 0.450 nan 8.230 nan 0.000 0.437 923 S N -1.815 113.940 115.700 0.090 0.000 2.400 923 S HA -0.192 4.278 4.470 -0.000 0.000 0.232 923 S C 1.624 176.294 174.600 0.117 0.000 1.025 923 S CA 1.243 59.505 58.200 0.103 0.000 0.993 923 S CB -0.773 62.477 63.200 0.084 0.000 0.808 923 S HN 0.528 nan 8.310 nan 0.000 0.478 924 D N 1.320 121.772 120.400 0.086 0.000 2.348 924 D HA 0.083 4.723 4.640 -0.000 0.000 0.216 924 D C 1.193 177.509 176.300 0.027 0.000 0.970 924 D CA 0.605 54.638 54.000 0.055 0.000 0.889 924 D CB -0.184 40.653 40.800 0.062 0.000 0.912 924 D HN 0.415 nan 8.370 nan 0.000 0.524 925 M N -0.229 119.396 119.600 0.043 0.000 2.581 925 M HA 0.080 4.560 4.480 -0.000 0.000 0.224 925 M C -0.156 176.162 176.300 0.031 0.000 1.171 925 M CA -0.020 55.264 55.300 -0.027 0.000 0.993 925 M CB -0.967 31.597 32.600 -0.060 0.000 1.685 925 M HN -0.053 nan 8.290 nan 0.000 0.479 926 Y N -0.156 120.099 120.300 -0.075 0.000 2.425 926 Y HA 0.484 5.034 4.550 0.000 0.000 0.344 926 Y C -0.854 174.966 175.900 -0.134 0.000 0.969 926 Y CA -0.804 57.254 58.100 -0.070 0.000 1.052 926 Y CB 1.530 40.002 38.460 0.020 0.000 1.215 926 Y HN -0.077 nan 8.280 nan 0.000 0.451 927 T N 8.635 122.645 114.554 -0.907 0.000 2.893 927 T HA 0.261 4.611 4.350 -0.000 0.000 0.324 927 T C -2.658 171.198 174.700 -1.407 0.000 1.082 927 T CA -1.494 59.981 62.100 -1.041 0.000 0.983 927 T CB 0.961 69.331 68.868 -0.831 0.000 1.005 927 T HN 0.448 nan 8.240 nan 0.000 0.475 928 P HA 0.038 nan 4.420 nan 0.000 0.246 928 P C -0.564 176.559 177.300 -0.295 0.000 1.675 928 P CA -0.301 62.358 63.100 -0.735 0.000 0.908 928 P CB -0.896 30.527 31.700 -0.462 0.000 1.890 929 Y N -0.430 119.753 120.300 -0.194 0.000 2.632 929 Y HA -0.091 4.459 4.550 -0.000 0.000 0.329 929 Y C 2.272 178.188 175.900 0.026 0.000 1.174 929 Y CA -0.496 57.566 58.100 -0.063 0.000 1.469 929 Y CB 0.493 38.869 38.460 -0.141 0.000 1.242 929 Y HN -0.126 nan 8.280 nan 0.000 0.540 930 V N 4.315 124.417 119.914 0.314 0.000 2.250 930 V HA -0.337 3.783 4.120 -0.000 0.000 0.250 930 V C 0.627 176.873 176.094 0.253 0.000 1.060 930 V CA 1.679 64.147 62.300 0.280 0.000 1.030 930 V CB -0.511 31.512 31.823 0.334 0.000 0.643 930 V HN 0.606 nan 8.190 nan 0.000 0.445 931 F N 3.401 123.387 119.950 0.059 0.000 2.391 931 F HA 0.511 5.038 4.527 -0.000 0.000 0.359 931 F C -2.323 173.474 175.800 -0.005 0.000 1.122 931 F CA -3.188 54.798 58.000 -0.023 0.000 1.120 931 F CB 0.959 39.834 39.000 -0.208 0.000 1.142 931 F HN -0.001 nan 8.300 nan 0.000 0.483 932 P HA 0.351 nan 4.420 nan 0.000 0.278 932 P C -1.227 175.768 177.300 -0.508 0.000 1.238 932 P CA -0.182 62.654 63.100 -0.440 0.000 0.794 932 P CB 1.661 33.167 31.700 -0.324 0.000 0.955 933 S N -0.351 115.242 115.700 -0.178 0.000 2.656 933 S HA 0.376 4.846 4.470 -0.000 0.000 0.265 933 S C -0.834 173.757 174.600 -0.016 0.000 1.132 933 S CA -0.934 57.213 58.200 -0.089 0.000 0.819 933 S CB 0.247 63.430 63.200 -0.027 0.000 1.119 933 S HN 0.385 nan 8.310 nan 0.000 0.476 934 E N 1.229 121.430 120.200 0.002 0.000 2.568 934 E HA 0.337 4.686 4.350 -0.000 0.000 0.262 934 E C -0.078 176.567 176.600 0.076 0.000 0.961 934 E CA 1.140 57.563 56.400 0.039 0.000 0.945 934 E CB -0.313 29.433 29.700 0.077 0.000 0.924 934 E HN 0.835 nan 8.360 nan 0.000 0.467 935 N N 1.175 119.949 118.700 0.123 0.000 3.261 935 N HA 0.466 5.206 4.740 -0.000 0.000 0.248 935 N C 0.255 175.810 175.510 0.075 0.000 1.498 935 N CA -0.653 52.510 53.050 0.188 0.000 0.884 935 N CB 0.509 39.089 38.487 0.155 0.000 1.428 935 N HN 0.739 nan 8.380 nan 0.000 0.517 936 G N -1.399 107.410 108.800 0.014 0.000 2.189 936 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.267 936 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.267 936 G C -0.149 174.503 174.900 -0.414 0.000 0.975 936 G CA 0.564 45.558 45.100 -0.178 0.000 0.644 936 G HN 0.705 nan 8.290 nan 0.000 0.537 937 L N 0.973 121.879 121.223 -0.528 0.000 2.506 937 L HA 0.491 4.831 4.340 -0.000 0.000 0.281 937 L C 0.732 177.031 176.870 -0.951 0.000 1.228 937 L CA 0.323 54.615 54.840 -0.913 0.000 0.850 937 L CB 0.378 41.587 42.059 -1.416 0.000 1.110 937 L HN 0.313 nan 8.230 nan 0.000 0.496 938 R N 3.855 123.710 120.500 -1.075 0.000 2.532 938 R HA 0.475 4.815 4.340 -0.000 0.000 0.297 938 R C -1.066 174.868 176.300 -0.611 0.000 0.984 938 R CA -0.618 54.977 56.100 -0.841 0.000 0.884 938 R CB 0.732 30.491 30.300 -0.900 0.000 1.182 938 R HN 0.618 nan 8.270 nan 0.000 0.442 939 C N -0.441 118.650 119.300 -0.348 0.000 2.380 939 C HA 0.716 5.176 4.460 -0.000 0.000 0.393 939 C C 1.361 176.327 174.990 -0.040 0.000 1.284 939 C CA 0.087 58.989 59.018 -0.193 0.000 2.033 939 C CB 0.964 28.617 27.740 -0.144 0.000 2.165 939 C HN 1.057 nan 8.230 nan 0.000 0.540 940 G N 1.694 110.484 108.800 -0.016 0.000 2.338 940 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.296 940 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.296 940 G C -0.143 174.818 174.900 0.102 0.000 1.040 940 G CA 0.472 45.612 45.100 0.065 0.000 1.004 940 G HN 0.829 nan 8.290 nan 0.000 0.509 941 T N -0.510 113.975 114.554 -0.116 0.000 2.837 941 T HA 0.560 4.910 4.350 -0.000 0.000 0.285 941 T C 1.430 175.833 174.700 -0.495 0.000 0.984 941 T CA -0.530 61.444 62.100 -0.211 0.000 1.049 941 T CB 1.706 70.420 68.868 -0.257 0.000 0.947 941 T HN 0.332 nan 8.240 nan 0.000 0.472 942 R N 0.907 121.324 120.500 -0.138 0.000 2.287 942 R HA 0.254 4.594 4.340 -0.000 0.000 0.197 942 R C 0.448 176.800 176.300 0.086 0.000 0.900 942 R CA 0.148 56.236 56.100 -0.020 0.000 1.052 942 R CB 0.858 31.267 30.300 0.182 0.000 1.117 942 R HN 0.642 nan 8.270 nan 0.000 0.568 943 E N 1.056 121.325 120.200 0.114 0.000 2.304 943 E HA 0.287 4.637 4.350 -0.000 0.000 0.277 943 E C -1.989 174.767 176.600 0.260 0.000 0.898 943 E CA -0.630 55.905 56.400 0.226 0.000 0.764 943 E CB 1.765 31.565 29.700 0.167 0.000 1.216 943 E HN -0.113 nan 8.360 nan 0.000 0.419 944 L N 4.171 125.605 121.223 0.352 0.000 2.410 944 L HA 0.605 4.945 4.340 -0.000 0.000 0.270 944 L C -1.933 175.176 176.870 0.400 0.000 0.983 944 L CA -0.445 54.560 54.840 0.276 0.000 0.822 944 L CB 1.813 43.888 42.059 0.026 0.000 1.285 944 L HN 0.468 nan 8.230 nan 0.000 0.409 945 N N 4.473 123.370 118.700 0.328 0.000 2.346 945 N HA 0.415 5.155 4.740 -0.000 0.000 0.289 945 N C -2.001 173.761 175.510 0.421 0.000 1.027 945 N CA -0.215 53.034 53.050 0.331 0.000 0.864 945 N CB 2.032 40.646 38.487 0.211 0.000 1.370 945 N HN 0.603 nan 8.380 nan 0.000 0.481 946 Y N 1.373 121.854 120.300 0.301 0.000 2.330 946 Y HA 0.448 4.998 4.550 -0.000 0.000 0.324 946 Y C 0.578 176.619 175.900 0.235 0.000 1.093 946 Y CA 0.116 58.370 58.100 0.257 0.000 1.103 946 Y CB 0.617 39.253 38.460 0.293 0.000 1.183 946 Y HN 0.840 nan 8.280 nan 0.000 0.433 947 G N 6.493 115.209 108.800 -0.140 0.000 2.547 947 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.271 947 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.271 947 G C -1.830 173.009 174.900 -0.101 0.000 1.209 947 G CA -0.068 44.923 45.100 -0.182 0.000 0.959 947 G HN 0.553 nan 8.290 nan 0.000 0.563 948 P HA 0.093 nan 4.420 nan 0.000 0.237 948 P C 0.513 177.573 177.300 -0.399 0.000 1.178 948 P CA 1.107 64.030 63.100 -0.295 0.000 0.766 948 P CB -0.111 31.339 31.700 -0.416 0.000 0.876 949 H N -0.363 118.662 119.070 -0.076 0.000 2.505 949 H HA 0.513 5.069 4.556 -0.000 0.000 0.351 949 H C 0.332 175.438 175.328 -0.369 0.000 1.151 949 H CA -0.128 55.758 56.048 -0.271 0.000 1.339 949 H CB 0.766 30.201 29.762 -0.545 0.000 1.483 949 H HN -0.058 nan 8.280 nan 0.000 0.558 950 Q N 2.115 121.647 119.800 -0.447 0.000 2.284 950 Q HA 0.251 4.591 4.340 -0.000 0.000 0.269 950 Q C -1.933 173.821 176.000 -0.410 0.000 1.026 950 Q CA -0.728 54.926 55.803 -0.250 0.000 0.831 950 Q CB 1.668 30.389 28.738 -0.029 0.000 1.322 950 Q HN 0.623 nan 8.270 nan 0.000 0.419 951 W N 3.610 124.912 121.300 0.004 0.000 2.736 951 W HA 0.649 5.309 4.660 -0.000 0.000 0.335 951 W C -0.292 176.325 176.519 0.163 0.000 1.059 951 W CA -0.909 56.408 57.345 -0.047 0.000 1.226 951 W CB 2.178 31.422 29.460 -0.359 0.000 1.416 951 W HN 0.524 nan 8.180 nan 0.000 0.505 952 R N 0.601 121.356 120.500 0.425 0.000 2.673 952 R HA 0.730 5.070 4.340 -0.000 0.000 0.281 952 R C 0.075 176.653 176.300 0.463 0.000 0.991 952 R CA -0.497 55.864 56.100 0.434 0.000 0.896 952 R CB 2.418 32.885 30.300 0.277 0.000 1.201 952 R HN 0.789 nan 8.270 nan 0.000 0.457 953 G N 0.916 110.013 108.800 0.496 0.000 2.534 953 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.142 953 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.142 953 G C -1.758 173.309 174.900 0.278 0.000 1.178 953 G CA -0.402 44.947 45.100 0.414 0.000 1.037 953 G HN 0.483 nan 8.290 nan 0.000 0.474 954 D N 0.438 121.024 120.400 0.310 0.000 2.330 954 D HA 0.586 5.226 4.640 -0.000 0.000 0.249 954 D C -0.983 175.367 176.300 0.083 0.000 1.306 954 D CA -0.228 53.813 54.000 0.070 0.000 0.956 954 D CB 0.817 41.670 40.800 0.088 0.000 1.261 954 D HN 0.455 nan 8.370 nan 0.000 0.544 955 F N 0.099 120.051 119.950 0.003 0.000 3.016 955 F HA 0.595 5.122 4.527 0.000 0.000 0.324 955 F C -1.214 174.560 175.800 -0.043 0.000 1.196 955 F CA -1.021 56.922 58.000 -0.095 0.000 0.929 955 F CB 0.719 39.650 39.000 -0.115 0.000 1.440 955 F HN -0.134 nan 8.300 nan 0.000 0.505 956 Q N 1.361 121.264 119.800 0.172 0.000 2.413 956 Q HA 0.707 5.047 4.340 -0.000 0.000 0.276 956 Q C -1.418 174.689 176.000 0.178 0.000 1.099 956 Q CA -0.556 55.268 55.803 0.035 0.000 0.814 956 Q CB 2.969 31.590 28.738 -0.194 0.000 1.379 956 Q HN 0.957 nan 8.270 nan 0.000 0.436 957 F N -1.276 118.559 119.950 -0.191 0.000 2.779 957 F HA 0.772 5.299 4.527 -0.000 0.000 0.316 957 F C -1.837 173.754 175.800 -0.349 0.000 1.164 957 F CA -1.037 56.813 58.000 -0.250 0.000 0.924 957 F CB 1.462 40.326 39.000 -0.226 0.000 1.348 957 F HN 0.642 nan 8.300 nan 0.000 0.467 958 N N 0.891 119.446 118.700 -0.242 0.000 2.494 958 N HA 0.710 5.450 4.740 -0.000 0.000 0.270 958 N C -2.189 173.300 175.510 -0.035 0.000 1.285 958 N CA -0.704 52.168 53.050 -0.296 0.000 0.812 958 N CB 2.528 40.838 38.487 -0.296 0.000 1.557 958 N HN 1.146 nan 8.380 nan 0.000 0.487 959 I N 0.375 120.905 120.570 -0.067 0.000 2.649 959 I HA 0.659 4.829 4.170 -0.000 0.000 0.289 959 I C -1.259 174.811 176.117 -0.078 0.000 1.222 959 I CA 0.086 61.324 61.300 -0.104 0.000 1.046 959 I CB 1.266 39.139 38.000 -0.212 0.000 1.272 959 I HN 1.058 nan 8.210 nan 0.000 0.425 960 S N 6.337 122.017 115.700 -0.034 0.000 2.755 960 S HA 0.554 5.024 4.470 -0.000 0.000 0.286 960 S C -0.320 174.244 174.600 -0.061 0.000 1.207 960 S CA -0.964 57.224 58.200 -0.019 0.000 0.892 960 S CB 1.626 64.894 63.200 0.113 0.000 1.240 960 S HN 0.623 nan 8.310 nan 0.000 0.525 961 R N -0.021 120.288 120.500 -0.318 0.000 2.507 961 R HA 0.290 4.630 4.340 -0.000 0.000 0.298 961 R C -1.102 174.864 176.300 -0.556 0.000 0.999 961 R CA 0.146 55.974 56.100 -0.453 0.000 1.082 961 R CB -0.487 29.409 30.300 -0.673 0.000 1.246 961 R HN 0.623 nan 8.270 nan 0.000 0.553 962 Y N 0.305 120.610 120.300 0.008 0.000 2.391 962 Y HA 0.234 4.784 4.550 -0.000 0.000 0.341 962 Y C 0.705 176.370 175.900 -0.390 0.000 0.965 962 Y CA -1.204 56.804 58.100 -0.154 0.000 1.067 962 Y CB 1.512 39.829 38.460 -0.238 0.000 1.199 962 Y HN -0.075 nan 8.280 nan 0.000 0.450 963 S N 1.755 117.121 115.700 -0.557 0.000 2.593 963 S HA 0.066 4.536 4.470 -0.000 0.000 0.269 963 S C 0.883 175.175 174.600 -0.513 0.000 1.334 963 S CA -0.635 56.901 58.200 -1.107 0.000 1.015 963 S CB 1.114 63.677 63.200 -1.062 0.000 0.912 963 S HN 0.760 nan 8.310 nan 0.000 0.541 964 Q N 0.728 120.230 119.800 -0.497 0.000 2.124 964 Q HA -0.209 4.131 4.340 -0.000 0.000 0.202 964 Q C 2.225 178.103 176.000 -0.204 0.000 0.977 964 Q CA 1.873 57.519 55.803 -0.262 0.000 0.850 964 Q CB -0.509 28.110 28.738 -0.198 0.000 0.901 964 Q HN 0.965 nan 8.270 nan 0.000 0.429 965 Q N 0.689 120.348 119.800 -0.236 0.000 2.096 965 Q HA -0.226 4.114 4.340 -0.000 0.000 0.204 965 Q C 2.149 178.070 176.000 -0.132 0.000 0.982 965 Q CA 1.434 57.149 55.803 -0.147 0.000 0.850 965 Q CB 0.024 28.691 28.738 -0.118 0.000 0.901 965 Q HN 0.387 nan 8.270 nan 0.000 0.422 966 Q N 0.116 119.821 119.800 -0.158 0.000 2.030 966 Q HA -0.200 4.140 4.340 -0.000 0.000 0.204 966 Q C 2.293 178.209 176.000 -0.140 0.000 0.986 966 Q CA 1.732 57.462 55.803 -0.122 0.000 0.843 966 Q CB -0.191 28.468 28.738 -0.131 0.000 0.904 966 Q HN 0.492 nan 8.270 nan 0.000 0.420 967 L N 0.112 121.238 121.223 -0.162 0.000 2.043 967 L HA -0.259 4.081 4.340 -0.000 0.000 0.212 967 L C 2.719 179.476 176.870 -0.189 0.000 1.075 967 L CA 1.442 56.170 54.840 -0.185 0.000 0.752 967 L CB -0.424 41.545 42.059 -0.151 0.000 0.891 967 L HN 0.433 nan 8.230 nan 0.000 0.432 968 M N -0.513 119.001 119.600 -0.143 0.000 2.229 968 M HA -0.178 4.302 4.480 -0.000 0.000 0.264 968 M C 1.729 177.965 176.300 -0.106 0.000 1.063 968 M CA 1.676 56.904 55.300 -0.120 0.000 1.114 968 M CB 0.098 32.636 32.600 -0.105 0.000 1.387 968 M HN 0.189 nan 8.290 nan 0.000 0.420 969 E N -0.655 119.488 120.200 -0.095 0.000 2.447 969 E HA 0.047 4.397 4.350 -0.000 0.000 0.195 969 E C -0.230 176.340 176.600 -0.051 0.000 1.028 969 E CA 0.151 56.516 56.400 -0.057 0.000 0.876 969 E CB 0.435 30.113 29.700 -0.037 0.000 0.885 969 E HN 0.348 nan 8.360 nan 0.000 0.500 970 T N 0.256 114.752 114.554 -0.098 0.000 2.837 970 T HA 0.107 4.457 4.350 -0.000 0.000 0.285 970 T C 1.117 175.751 174.700 -0.110 0.000 0.984 970 T CA -0.402 61.646 62.100 -0.087 0.000 1.049 970 T CB 1.678 70.472 68.868 -0.124 0.000 0.947 970 T HN 0.033 nan 8.240 nan 0.000 0.472 971 S N 1.483 117.209 115.700 0.044 0.000 2.486 971 S HA 0.106 4.576 4.470 -0.000 0.000 0.220 971 S C 0.246 174.940 174.600 0.157 0.000 1.011 971 S CA 0.133 58.428 58.200 0.158 0.000 0.921 971 S CB -0.174 63.265 63.200 0.399 0.000 0.785 971 S HN 0.729 nan 8.310 nan 0.000 0.517 972 H N 0.710 119.816 119.070 0.061 0.000 2.717 972 H HA 0.533 5.089 4.556 0.000 0.000 0.366 972 H C 1.037 176.411 175.328 0.076 0.000 1.132 972 H CA -0.769 55.391 56.048 0.186 0.000 1.180 972 H CB 1.494 31.459 29.762 0.338 0.000 1.678 972 H HN 0.123 nan 8.280 nan 0.000 0.537 973 R N 1.540 122.201 120.500 0.269 0.000 2.091 973 R HA -0.200 4.140 4.340 -0.000 0.000 0.238 973 R C 1.347 177.713 176.300 0.109 0.000 1.136 973 R CA 2.003 58.182 56.100 0.132 0.000 0.959 973 R CB -0.623 29.757 30.300 0.133 0.000 0.856 973 R HN 0.792 nan 8.270 nan 0.000 0.437 974 H N 1.681 120.778 119.070 0.044 0.000 2.518 974 H HA -0.030 4.526 4.556 -0.000 0.000 0.292 974 H C 1.436 176.712 175.328 -0.088 0.000 1.068 974 H CA 1.065 57.096 56.048 -0.028 0.000 1.275 974 H CB -0.252 29.484 29.762 -0.043 0.000 1.375 974 H HN 0.356 nan 8.280 nan 0.000 0.563 975 L N 0.825 121.752 121.223 -0.494 0.000 2.611 975 L HA 0.255 4.595 4.340 -0.000 0.000 0.229 975 L C 0.308 177.097 176.870 -0.135 0.000 1.137 975 L CA -0.146 54.458 54.840 -0.392 0.000 0.901 975 L CB -0.002 41.812 42.059 -0.409 0.000 1.098 975 L HN 0.022 nan 8.230 nan 0.000 0.456 976 L N 0.841 121.994 121.223 -0.116 0.000 2.375 976 L HA 0.316 4.656 4.340 -0.000 0.000 0.271 976 L C 0.187 177.109 176.870 0.087 0.000 1.107 976 L CA -0.423 54.363 54.840 -0.090 0.000 0.806 976 L CB 0.747 42.594 42.059 -0.353 0.000 1.146 976 L HN 0.148 nan 8.230 nan 0.000 0.447 977 H N 1.362 120.514 119.070 0.137 0.000 2.600 977 H HA 0.654 5.210 4.556 0.000 0.000 0.357 977 H C -0.762 174.629 175.328 0.105 0.000 1.106 977 H CA -1.179 54.934 56.048 0.108 0.000 1.193 977 H CB 1.377 31.152 29.762 0.022 0.000 1.594 977 H HN 0.713 nan 8.280 nan 0.000 0.526 978 A N 3.467 126.278 122.820 -0.015 0.000 2.531 978 A HA 0.099 4.419 4.320 -0.000 0.000 0.236 978 A C 0.329 177.853 177.584 -0.100 0.000 1.062 978 A CA -0.146 51.703 52.037 -0.314 0.000 0.760 978 A CB 0.064 18.908 19.000 -0.260 0.000 0.995 978 A HN 0.859 nan 8.150 nan 0.000 0.501 979 E N 0.575 120.677 120.200 -0.163 0.000 2.292 979 E HA 0.150 4.500 4.350 -0.000 0.000 0.258 979 E C 0.624 177.205 176.600 -0.031 0.000 1.115 979 E CA -0.705 55.708 56.400 0.022 0.000 0.929 979 E CB 0.725 30.530 29.700 0.175 0.000 1.161 979 E HN 0.822 nan 8.360 nan 0.000 0.453 980 E N 0.333 120.522 120.200 -0.018 0.000 2.065 980 E HA -0.224 4.126 4.350 -0.000 0.000 0.201 980 E C 0.937 177.467 176.600 -0.117 0.000 1.016 980 E CA 1.777 58.138 56.400 -0.066 0.000 0.818 980 E CB 0.002 29.665 29.700 -0.061 0.000 0.749 980 E HN 0.564 nan 8.360 nan 0.000 0.453 981 G N -1.460 107.219 108.800 -0.201 0.000 3.407 981 G HA2 0.264 4.224 3.960 -0.000 0.000 0.187 981 G HA3 0.264 4.224 3.960 -0.000 0.000 0.187 981 G C -0.692 174.098 174.900 -0.182 0.000 1.262 981 G CA -0.129 44.862 45.100 -0.181 0.000 0.808 981 G HN 0.109 nan 8.290 nan 0.000 0.687 982 T N 0.487 114.929 114.554 -0.186 0.000 2.812 982 T HA 0.377 4.727 4.350 -0.000 0.000 0.282 982 T C -1.488 173.064 174.700 -0.247 0.000 0.990 982 T CA -0.109 61.912 62.100 -0.131 0.000 0.960 982 T CB 1.495 70.396 68.868 0.055 0.000 0.948 982 T HN 0.321 nan 8.240 nan 0.000 0.438 983 W N 3.221 124.438 121.300 -0.139 0.000 2.316 983 W HA 0.608 5.268 4.660 -0.000 0.000 0.311 983 W C -0.332 176.073 176.519 -0.190 0.000 1.217 983 W CA -0.730 56.529 57.345 -0.143 0.000 1.199 983 W CB 0.831 30.216 29.460 -0.125 0.000 1.202 983 W HN 0.356 nan 8.180 nan 0.000 0.528 984 L N 5.620 126.905 121.223 0.103 0.000 2.381 984 L HA 0.500 4.840 4.340 -0.000 0.000 0.274 984 L C -1.160 175.641 176.870 -0.115 0.000 0.988 984 L CA -0.570 54.200 54.840 -0.117 0.000 0.824 984 L CB 1.063 42.918 42.059 -0.339 0.000 1.263 984 L HN 0.329 nan 8.230 nan 0.000 0.410 985 N N 6.968 125.583 118.700 -0.141 0.000 2.407 985 N HA 0.496 5.236 4.740 -0.000 0.000 0.277 985 N C -1.187 174.205 175.510 -0.197 0.000 0.995 985 N CA -0.284 52.670 53.050 -0.160 0.000 0.903 985 N CB 2.366 40.777 38.487 -0.126 0.000 1.218 985 N HN 0.541 nan 8.380 nan 0.000 0.487 986 I N 1.755 122.160 120.570 -0.275 0.000 2.382 986 I HA 0.235 4.405 4.170 -0.000 0.000 0.285 986 I C -0.640 175.313 176.117 -0.274 0.000 1.007 986 I CA -0.624 60.484 61.300 -0.320 0.000 1.142 986 I CB 1.468 39.130 38.000 -0.563 0.000 1.289 986 I HN 0.157 nan 8.210 nan 0.000 0.453 987 D N 4.531 124.805 120.400 -0.209 0.000 2.217 987 D HA 0.298 4.938 4.640 -0.000 0.000 0.243 987 D C 0.989 177.023 176.300 -0.442 0.000 1.054 987 D CA -0.198 53.625 54.000 -0.296 0.000 0.838 987 D CB 2.486 43.202 40.800 -0.139 0.000 1.162 987 D HN 0.692 nan 8.370 nan 0.000 0.472 988 G N 1.118 109.375 108.800 -0.906 0.000 2.430 988 G HA2 0.049 4.009 3.960 -0.000 0.000 0.216 988 G HA3 0.049 4.009 3.960 -0.000 0.000 0.216 988 G C 0.042 174.076 174.900 -1.444 0.000 1.146 988 G CA 0.467 44.750 45.100 -1.361 0.000 0.793 988 G HN 0.386 nan 8.290 nan 0.000 0.537 989 F N -1.802 117.955 119.950 -0.323 0.000 2.641 989 F HA 0.529 5.056 4.527 -0.000 0.000 0.308 989 F C -0.730 174.985 175.800 -0.142 0.000 1.105 989 F CA -1.231 56.664 58.000 -0.174 0.000 0.964 989 F CB 1.936 40.788 39.000 -0.247 0.000 1.294 989 F HN -0.076 nan 8.300 nan 0.000 0.442 990 H N 2.733 121.835 119.070 0.053 0.000 2.947 990 H HA 0.408 4.964 4.556 -0.000 0.000 0.354 990 H C -1.070 174.290 175.328 0.053 0.000 1.085 990 H CA -0.755 55.288 56.048 -0.007 0.000 1.253 990 H CB 2.365 32.103 29.762 -0.041 0.000 1.757 990 H HN 0.886 nan 8.280 nan 0.000 0.523 991 M N 2.940 122.490 119.600 -0.082 0.000 2.240 991 M HA 0.282 4.762 4.480 -0.000 0.000 0.317 991 M C 0.405 176.823 176.300 0.197 0.000 1.087 991 M CA 0.551 55.876 55.300 0.042 0.000 1.176 991 M CB 0.402 32.925 32.600 -0.128 0.000 1.439 991 M HN 0.684 nan 8.290 nan 0.000 0.452 992 G N 2.274 111.165 108.800 0.153 0.000 2.653 992 G HA2 0.359 4.319 3.960 -0.000 0.000 0.265 992 G HA3 0.359 4.319 3.960 -0.000 0.000 0.265 992 G C 0.521 175.398 174.900 -0.039 0.000 1.237 992 G CA -0.289 44.830 45.100 0.032 0.000 0.946 992 G HN 1.006 nan 8.290 nan 0.000 0.522 993 I N -2.587 117.907 120.570 -0.127 0.000 3.939 993 I HA 0.442 4.612 4.170 -0.000 0.000 0.313 993 I C 1.135 177.179 176.117 -0.121 0.000 1.274 993 I CA 0.520 61.717 61.300 -0.172 0.000 1.301 993 I CB -0.339 37.467 38.000 -0.323 0.000 1.105 993 I HN 0.957 nan 8.210 nan 0.000 0.427 994 G N 1.622 110.369 108.800 -0.089 0.000 2.645 994 G HA2 0.030 3.990 3.960 -0.000 0.000 0.239 994 G HA3 0.030 3.990 3.960 -0.000 0.000 0.239 994 G C 0.574 175.465 174.900 -0.015 0.000 1.331 994 G CA 0.140 45.228 45.100 -0.020 0.000 0.890 994 G HN 1.377 nan 8.290 nan 0.000 0.572 995 G N -2.401 106.407 108.800 0.014 0.000 2.613 995 G HA2 0.025 3.985 3.960 -0.000 0.000 0.199 995 G HA3 0.025 3.985 3.960 -0.000 0.000 0.199 995 G C 0.666 175.615 174.900 0.082 0.000 0.991 995 G CA 0.913 46.032 45.100 0.031 0.000 0.756 995 G HN 0.979 nan 8.290 nan 0.000 0.515 996 D N 1.292 121.756 120.400 0.107 0.000 2.203 996 D HA 0.069 4.709 4.640 -0.000 0.000 0.199 996 D C 0.948 177.274 176.300 0.043 0.000 0.997 996 D CA 2.178 56.292 54.000 0.190 0.000 0.863 996 D CB 0.092 41.014 40.800 0.205 0.000 0.928 996 D HN 0.832 nan 8.370 nan 0.000 0.458 997 D N -3.760 116.467 120.400 -0.288 0.000 2.653 997 D HA 0.283 4.923 4.640 -0.000 0.000 0.258 997 D C -0.797 174.997 176.300 -0.844 0.000 1.252 997 D CA -0.723 52.689 54.000 -0.981 0.000 0.777 997 D CB 0.809 40.535 40.800 -1.790 0.000 1.339 997 D HN -0.298 nan 8.370 nan 0.000 0.422 998 S N -0.300 114.719 115.700 -1.135 0.000 2.601 998 S HA 0.233 4.703 4.470 -0.000 0.000 0.244 998 S C -0.485 174.196 174.600 0.135 0.000 1.001 998 S CA -0.654 57.427 58.200 -0.198 0.000 0.984 998 S CB -0.523 62.835 63.200 0.264 0.000 0.842 998 S HN 0.610 nan 8.310 nan 0.000 0.474 999 W N 1.234 122.476 121.300 -0.096 0.000 2.252 999 W HA 0.578 5.238 4.660 -0.000 0.000 0.338 999 W C -0.042 176.431 176.519 -0.077 0.000 0.914 999 W CA -0.641 56.656 57.345 -0.080 0.000 1.754 999 W CB -0.551 28.798 29.460 -0.184 0.000 1.135 999 W HN 0.154 nan 8.180 nan 0.000 0.531 1000 S N -1.274 114.312 115.700 -0.190 0.000 2.588 1000 S HA 0.628 5.098 4.470 -0.000 0.000 0.269 1000 S C -3.213 171.319 174.600 -0.112 0.000 1.157 1000 S CA -1.558 56.564 58.200 -0.130 0.000 0.824 1000 S CB 1.638 64.763 63.200 -0.126 0.000 1.126 1000 S HN -0.207 nan 8.310 nan 0.000 0.464 1001 P HA 0.286 nan 4.420 nan 0.000 0.271 1001 P C 0.289 177.620 177.300 0.052 0.000 1.233 1001 P CA -0.218 62.894 63.100 0.021 0.000 0.764 1001 P CB 0.804 32.438 31.700 -0.109 0.000 0.825 1002 S N 0.773 116.531 115.700 0.097 0.000 2.701 1002 S HA 0.147 4.617 4.470 -0.000 0.000 0.242 1002 S C 0.330 175.006 174.600 0.126 0.000 1.025 1002 S CA -0.308 57.933 58.200 0.068 0.000 1.016 1002 S CB -0.220 62.975 63.200 -0.008 0.000 0.977 1002 S HN 0.120 nan 8.310 nan 0.000 0.546 1003 V N 4.306 124.338 119.914 0.196 0.000 2.455 1003 V HA 0.396 4.516 4.120 -0.000 0.000 0.273 1003 V C 0.771 177.022 176.094 0.262 0.000 1.045 1003 V CA -0.395 62.021 62.300 0.194 0.000 0.976 1003 V CB 0.691 32.589 31.823 0.125 0.000 0.993 1003 V HN 0.648 nan 8.190 nan 0.000 0.475 1004 S N 4.451 120.339 115.700 0.313 0.000 2.585 1004 S HA 0.414 4.884 4.470 -0.000 0.000 0.273 1004 S C 1.472 176.222 174.600 0.250 0.000 1.339 1004 S CA -0.068 58.301 58.200 0.281 0.000 1.028 1004 S CB 1.450 64.783 63.200 0.222 0.000 0.906 1004 S HN 1.059 nan 8.310 nan 0.000 0.528 1005 A N 2.042 124.952 122.820 0.150 0.000 1.915 1005 A HA -0.235 4.085 4.320 -0.000 0.000 0.220 1005 A C 1.897 179.475 177.584 -0.009 0.000 1.198 1005 A CA 2.218 54.316 52.037 0.103 0.000 0.647 1005 A CB -1.357 17.682 19.000 0.065 0.000 0.825 1005 A HN 0.965 nan 8.150 nan 0.000 0.456 1006 E N -0.904 119.195 120.200 -0.167 0.000 2.331 1006 E HA -0.138 4.212 4.350 -0.000 0.000 0.199 1006 E C 0.840 177.055 176.600 -0.641 0.000 1.008 1006 E CA 1.183 57.312 56.400 -0.452 0.000 0.843 1006 E CB -0.405 28.830 29.700 -0.774 0.000 0.761 1006 E HN 0.790 nan 8.360 nan 0.000 0.507 1007 F N 0.691 120.689 119.950 0.081 0.000 2.639 1007 F HA 0.218 4.745 4.527 -0.000 0.000 0.302 1007 F C 0.482 176.320 175.800 0.064 0.000 1.097 1007 F CA -0.410 57.638 58.000 0.079 0.000 1.294 1007 F CB 0.243 39.290 39.000 0.078 0.000 1.027 1007 F HN -0.167 nan 8.300 nan 0.000 0.550 1008 Q N 1.156 121.060 119.800 0.173 0.000 2.222 1008 Q HA 0.422 4.762 4.340 -0.000 0.000 0.252 1008 Q C -0.210 175.818 176.000 0.047 0.000 0.926 1008 Q CA -0.599 55.295 55.803 0.151 0.000 0.899 1008 Q CB 2.029 30.949 28.738 0.303 0.000 1.250 1008 Q HN 0.264 nan 8.270 nan 0.000 0.441 1009 L N 2.407 123.637 121.223 0.013 0.000 2.399 1009 L HA 0.091 4.431 4.340 -0.000 0.000 0.257 1009 L C 0.690 177.459 176.870 -0.168 0.000 1.236 1009 L CA -0.050 54.761 54.840 -0.049 0.000 1.144 1009 L CB -0.392 41.534 42.059 -0.222 0.000 1.379 1009 L HN 0.716 nan 8.230 nan 0.000 0.414 1010 S N -1.086 114.457 115.700 -0.263 0.000 2.539 1010 S HA 0.139 4.609 4.470 -0.000 0.000 0.221 1010 S C 1.724 176.227 174.600 -0.162 0.000 0.987 1010 S CA 0.182 58.050 58.200 -0.554 0.000 0.929 1010 S CB 0.698 63.598 63.200 -0.500 0.000 0.832 1010 S HN 0.516 nan 8.310 nan 0.000 0.492 1011 A N 1.693 124.471 122.820 -0.070 0.000 2.019 1011 A HA 0.397 4.717 4.320 -0.000 0.000 0.219 1011 A C 2.167 179.613 177.584 -0.229 0.000 1.164 1011 A CA 1.469 53.333 52.037 -0.289 0.000 0.644 1011 A CB -1.336 17.192 19.000 -0.786 0.000 0.805 1011 A HN 1.507 nan 8.150 nan 0.000 0.449 1012 G N -1.597 107.186 108.800 -0.030 0.000 2.417 1012 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.233 1012 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.233 1012 G C 0.432 175.343 174.900 0.019 0.000 1.103 1012 G CA 0.444 45.567 45.100 0.038 0.000 0.647 1012 G HN 0.730 nan 8.290 nan 0.000 0.512 1013 R N -0.597 119.762 120.500 -0.234 0.000 2.575 1013 R HA 0.683 5.023 4.340 -0.000 0.000 0.293 1013 R C -1.570 174.475 176.300 -0.426 0.000 0.983 1013 R CA -0.650 55.367 56.100 -0.137 0.000 0.887 1013 R CB 1.604 31.863 30.300 -0.068 0.000 1.184 1013 R HN 0.229 nan 8.270 nan 0.000 0.445 1014 Y N 0.156 120.468 120.300 0.019 0.000 2.512 1014 Y HA 0.389 4.939 4.550 0.000 0.000 0.348 1014 Y C -0.400 175.698 175.900 0.331 0.000 0.990 1014 Y CA -0.916 57.203 58.100 0.031 0.000 1.033 1014 Y CB 2.149 40.462 38.460 -0.244 0.000 1.259 1014 Y HN 0.592 nan 8.280 nan 0.000 0.461 1015 H N 2.272 121.664 119.070 0.536 0.000 2.717 1015 H HA 0.662 5.218 4.556 0.000 0.000 0.366 1015 H C -1.749 173.952 175.328 0.623 0.000 1.132 1015 H CA -0.999 55.322 56.048 0.456 0.000 1.180 1015 H CB 1.410 31.325 29.762 0.256 0.000 1.678 1015 H HN 0.596 nan 8.280 nan 0.000 0.537 1016 Y N 1.088 121.095 120.300 -0.489 0.000 2.624 1016 Y HA 0.504 5.054 4.550 -0.000 0.000 0.334 1016 Y C -1.992 173.702 175.900 -0.343 0.000 1.155 1016 Y CA -1.064 56.862 58.100 -0.291 0.000 1.046 1016 Y CB 1.280 39.663 38.460 -0.128 0.000 1.316 1016 Y HN 0.658 nan 8.280 nan 0.000 0.457 1017 Q N 3.075 122.833 119.800 -0.071 0.000 2.421 1017 Q HA 0.798 5.138 4.340 -0.000 0.000 0.280 1017 Q C -1.812 174.240 176.000 0.087 0.000 1.085 1017 Q CA -1.124 54.644 55.803 -0.057 0.000 0.807 1017 Q CB 3.709 32.474 28.738 0.045 0.000 1.405 1017 Q HN 0.759 nan 8.270 nan 0.000 0.419 1018 L N 0.796 122.058 121.223 0.064 0.000 2.540 1018 L HA 0.678 5.018 4.340 -0.000 0.000 0.256 1018 L C -1.605 175.368 176.870 0.171 0.000 1.001 1018 L CA -1.058 53.862 54.840 0.132 0.000 0.843 1018 L CB 2.714 44.821 42.059 0.080 0.000 1.436 1018 L HN 0.451 nan 8.230 nan 0.000 0.410 1019 V N 1.651 121.699 119.914 0.224 0.000 2.531 1019 V HA 0.491 4.611 4.120 -0.000 0.000 0.301 1019 V C -1.029 175.245 176.094 0.300 0.000 1.034 1019 V CA -0.447 61.999 62.300 0.244 0.000 0.865 1019 V CB 2.107 34.048 31.823 0.196 0.000 0.995 1019 V HN 0.643 nan 8.190 nan 0.000 0.424 1023 K N 0.000 120.329 120.400 -0.118 0.000 2.780 1023 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1023 K CA 0.000 56.241 56.287 -0.077 0.000 0.838 1023 K CB 0.000 32.464 32.500 -0.060 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543