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 1jyy_1_E 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 -1.828 112.762 114.554 0.061 0.000 3.113 4 T HA 0.151 4.501 4.350 0.000 0.000 0.256 4 T C 0.807 175.557 174.700 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 2.292 122.793 120.400 0.169 0.000 2.340 5 D HA 0.103 4.743 4.640 0.000 0.000 0.220 5 D C 0.828 177.327 176.300 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 41.062 40.800 0.406 0.000 0.913 5 D HN 0.570 nan 8.370 nan 0.000 0.523 6 S N 0.128 115.917 115.700 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 0.077 0.000 1.050 6 S CB 1.187 64.404 63.200 0.028 0.000 0.918 6 S HN -0.122 nan 8.310 nan 0.000 0.497 7 L N 4.065 125.313 121.223 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 -1.801 40.245 42.059 -0.021 0.000 0.890 7 L HN 1.000 nan 8.230 nan 0.000 0.434 8 A N -1.440 121.384 122.820 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 -0.003 0.000 1.182 8 A CA 2.509 54.549 52.037 0.005 0.000 0.649 8 A CB -1.100 17.899 19.000 -0.001 0.000 0.818 8 A HN 0.283 nan 8.150 nan 0.000 0.458 9 V N -1.016 118.889 119.914 -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 1.664 63.936 62.300 -0.047 0.000 1.027 9 V CB -0.182 31.618 31.823 -0.039 0.000 0.667 9 V HN 0.352 nan 8.190 nan 0.000 0.457 10 V N 0.843 120.671 119.914 -0.142 0.000 2.231 10 V HA -0.301 3.819 4.120 0.000 0.000 0.248 10 V C 2.268 178.258 176.094 -0.174 0.000 1.054 10 V CA 2.410 64.520 62.300 -0.317 0.000 1.015 10 V CB -0.773 30.810 31.823 -0.399 0.000 0.638 10 V HN 0.498 nan 8.190 nan 0.000 0.444 11 L N 0.264 121.476 121.223 -0.017 0.000 2.633 11 L HA -0.155 4.185 4.340 0.000 0.000 0.235 11 L C 2.452 179.401 176.870 0.132 0.000 1.163 11 L CA 0.924 55.888 54.840 0.205 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 2.215 122.018 119.800 0.005 0.000 2.030 12 Q HA -0.219 4.121 4.340 0.000 0.000 0.204 12 Q C 2.240 178.189 176.000 -0.086 0.000 0.986 12 Q CA 2.100 57.886 55.803 -0.028 0.000 0.843 12 Q CB -0.111 28.596 28.738 -0.051 0.000 0.904 12 Q HN 0.567 nan 8.270 nan 0.000 0.420 13 R N -0.265 120.160 120.500 -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 0.908 56.898 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 0.107 nan 8.270 nan 0.000 0.446 14 R N 1.000 121.208 120.500 -0.485 0.000 3.209 14 R HA -0.141 4.199 4.340 0.000 0.000 0.252 14 R C -0.558 175.217 176.300 -0.876 0.000 0.958 14 R CA 0.516 55.841 56.100 -1.291 0.000 0.651 14 R CB -1.477 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 -0.190 4.450 4.640 0.000 0.000 0.204 15 D C 1.608 177.854 176.300 -0.089 0.000 0.976 15 D CA 1.842 55.639 54.000 -0.339 0.000 0.853 15 D CB -0.119 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 1.735 123.060 121.300 0.042 0.000 3.096 16 W HA 0.115 4.775 4.660 0.000 0.000 0.241 16 W C 0.489 177.122 176.519 0.189 0.000 1.316 16 W CA -0.112 57.368 57.345 0.224 0.000 1.520 16 W CB -0.197 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 0.942 120.973 120.200 -0.281 0.000 2.995 17 E HA 0.058 4.408 4.350 0.000 0.000 0.203 17 E C -0.829 175.662 176.600 -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 0.109 nan 8.360 nan 0.000 0.463 18 N N 1.212 119.825 118.700 -0.144 0.000 2.594 18 N HA 0.135 4.875 4.740 0.000 0.000 0.280 18 N C -2.252 173.143 175.510 -0.191 0.000 1.156 18 N CA -1.868 51.064 53.050 -0.196 0.000 0.831 18 N CB 1.461 39.838 38.487 -0.184 0.000 1.379 18 N HN -0.234 nan 8.380 nan 0.000 0.536 19 P HA -0.043 nan 4.420 nan 0.000 0.220 19 P C 1.175 178.253 177.300 -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 -1.224 0.000 0.772 20 G N -0.584 108.037 108.800 -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 0.239 nan 8.290 nan 0.000 0.543 21 V N 1.129 120.998 119.914 -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 1.353 33.191 31.823 0.026 0.000 0.994 21 V HN 0.294 nan 8.190 nan 0.000 0.431 22 T N 0.862 115.466 114.554 0.083 0.000 2.975 22 T HA 0.351 4.701 4.350 0.000 0.000 0.257 22 T C 0.220 174.927 174.700 0.011 0.000 1.003 22 T CA 0.299 62.432 62.100 0.056 0.000 0.932 22 T CB 0.389 69.254 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 0.709 5.049 4.340 0.000 0.000 0.295 23 Q C -2.473 173.651 176.000 0.207 0.000 0.903 23 Q CA -1.110 54.737 55.803 0.074 0.000 0.768 23 Q CB 0.789 29.508 28.738 -0.031 0.000 1.472 23 Q HN 0.076 nan 8.270 nan 0.000 0.416 24 L N 2.529 123.904 121.223 0.255 0.000 2.528 24 L HA 0.534 4.874 4.340 0.000 0.000 0.267 24 L C -0.832 176.209 176.870 0.285 0.000 0.961 24 L CA -0.010 55.015 54.840 0.308 0.000 0.866 24 L CB 1.418 43.783 42.059 0.510 0.000 1.248 24 L HN 0.882 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 0.526 176.110 175.510 0.122 0.000 1.097 25 N CA 0.845 54.001 53.050 0.176 0.000 0.786 25 N CB -0.670 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 1.161 121.608 120.500 -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 2.516 123.551 121.223 -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 -0.076 0.000 1.227 27 L CA -0.602 54.169 54.840 -0.115 0.000 0.824 27 L CB 0.390 42.422 42.059 -0.045 0.000 1.175 27 L HN 0.742 nan 8.230 nan 0.000 0.503 28 A N 0.364 123.189 122.820 0.008 0.000 2.322 28 A HA 0.608 4.928 4.320 0.000 0.000 0.269 28 A C 0.140 177.789 177.584 0.109 0.000 1.094 28 A CA -0.222 51.838 52.037 0.038 0.000 0.807 28 A CB 0.522 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 1.187 124.021 122.820 0.023 0.000 2.406 29 A HA 0.652 4.972 4.320 0.000 0.000 0.243 29 A C 0.155 177.740 177.584 0.002 0.000 1.082 29 A CA 0.739 52.730 52.037 -0.076 0.000 0.786 29 A CB -0.176 18.757 19.000 -0.111 0.000 1.029 29 A HN 2.071 nan 8.150 nan 0.000 0.495 30 H N -2.576 116.426 119.070 -0.114 0.000 2.883 30 H HA 0.541 5.097 4.556 0.000 0.000 0.266 30 H C -3.422 171.699 175.328 -0.344 0.000 1.446 30 H CA -1.444 54.502 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 -0.501 0.000 1.256 31 P CA -1.568 61.308 63.100 -0.374 0.000 0.795 31 P CB -0.414 31.041 31.700 -0.408 0.000 1.038 32 P HA 0.104 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 0.881 63.873 63.100 -0.180 0.000 0.763 32 P CB -0.206 31.481 31.700 -0.022 0.000 0.790 33 F N 1.422 121.493 119.950 0.202 0.000 2.507 33 F HA 0.598 5.125 4.527 0.000 0.000 0.327 33 F C 1.203 176.971 175.800 -0.053 0.000 1.068 33 F CA -0.947 57.116 58.000 0.104 0.000 0.965 33 F CB 1.922 40.943 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 0.269 4.589 4.320 0.000 0.000 0.200 34 A C 0.822 178.173 177.584 -0.388 0.000 1.428 34 A CA 0.540 52.314 52.037 -0.439 0.000 1.050 34 A CB -0.069 18.082 19.000 -1.415 0.000 1.226 34 A HN 0.778 nan 8.150 nan 0.000 0.501 35 S N -0.327 115.268 115.700 -0.175 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 -1.756 61.340 63.200 -0.173 0.000 0.898 35 S HN 0.504 nan 8.310 nan 0.000 0.472 36 W N 0.624 121.929 121.300 0.007 0.000 2.187 36 W HA 0.130 4.790 4.660 0.000 0.000 0.348 36 W C 1.252 177.769 176.519 -0.003 0.000 1.282 36 W CA -0.192 57.161 57.345 0.013 0.000 1.271 36 W CB 0.126 29.592 29.460 0.011 0.000 1.170 36 W HN 0.260 nan 8.180 nan 0.000 0.583 37 R N 1.434 122.090 120.500 0.259 0.000 2.509 37 R HA 0.074 4.414 4.340 0.000 0.000 0.300 37 R C -0.061 176.321 176.300 0.138 0.000 0.985 37 R CA -0.135 56.056 56.100 0.151 0.000 1.092 37 R CB -0.433 29.928 30.300 0.102 0.000 1.237 37 R HN 0.358 nan 8.270 nan 0.000 0.546 38 N N -0.256 118.548 118.700 0.173 0.000 2.336 38 N HA 0.004 4.744 4.740 0.000 0.000 0.290 38 N C 0.509 176.019 175.510 -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 40.553 38.487 0.071 0.000 1.581 38 N HN -0.087 nan 8.380 nan 0.000 0.480 39 S N 3.015 118.686 115.700 -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 1.337 59.460 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 1.330 121.412 120.200 -0.196 0.000 2.108 40 E HA -0.193 4.157 4.350 0.000 0.000 0.203 40 E C 2.163 178.590 176.600 -0.290 0.000 1.022 40 E CA 1.772 58.026 56.400 -0.243 0.000 0.823 40 E CB -0.641 28.968 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 1.157 57.417 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 0.250 nan 8.360 nan 0.000 0.449 42 A N 1.619 123.579 122.820 -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 2.016 52.649 52.037 -2.340 0.000 0.633 42 A CB -0.642 17.511 19.000 -1.412 0.000 0.819 42 A HN 0.149 nan 8.150 nan 0.000 0.448 43 R N -0.193 119.888 120.500 -0.698 0.000 2.091 43 R HA -0.132 4.208 4.340 0.000 0.000 0.238 43 R C 1.555 177.602 176.300 -0.422 0.000 1.136 43 R CA 2.089 57.862 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 -2.204 112.135 114.554 -0.358 0.000 3.244 44 T HA 0.106 4.456 4.350 0.000 0.000 0.254 44 T C -0.002 174.631 174.700 -0.112 0.000 1.024 44 T CA 0.155 62.131 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 0.309 nan 8.240 nan 0.000 0.572 45 D N 1.654 121.956 120.400 -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 0.226 0.000 1.160 45 D CA 0.418 54.460 54.000 0.071 0.000 0.645 45 D CB -0.452 40.415 40.800 0.112 0.000 1.039 45 D HN 0.437 nan 8.370 nan 0.000 0.423 46 R N -0.246 120.406 120.500 0.252 0.000 2.811 46 R HA 0.564 4.904 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 -0.839 55.438 56.100 0.294 0.000 1.070 46 R CB -0.750 29.687 30.300 0.229 0.000 1.126 46 R HN 0.173 nan 8.270 nan 0.000 0.540 47 P HA 0.198 nan 4.420 nan 0.000 0.304 47 P C -1.005 176.341 177.300 0.077 0.000 1.365 47 P CA -0.488 62.710 63.100 0.164 0.000 0.935 47 P CB 1.804 33.569 31.700 0.109 0.000 1.091 48 S N 1.954 117.553 115.700 -0.169 0.000 2.554 48 S HA 0.139 4.609 4.470 0.000 0.000 0.278 48 S C 1.093 175.656 174.600 -0.061 0.000 1.242 48 S CA -0.433 57.618 58.200 -0.249 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 2.735 122.553 119.800 0.030 0.000 2.425 49 Q HA 0.011 4.351 4.340 0.000 0.000 0.204 49 Q C 0.793 176.942 176.000 0.248 0.000 0.933 49 Q CA 0.313 56.196 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 0.434 120.301 119.800 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 -0.035 28.644 28.738 -0.099 0.000 1.027 50 Q HN 0.163 nan 8.270 nan 0.000 0.513 51 L N 1.240 122.529 121.223 0.110 0.000 2.325 51 L HA 0.472 4.812 4.340 0.000 0.000 0.281 51 L C -1.057 175.899 176.870 0.144 0.000 1.004 51 L CA -0.465 54.430 54.840 0.091 0.000 0.823 51 L CB 1.444 43.481 42.059 -0.036 0.000 1.236 51 L HN -0.082 nan 8.230 nan 0.000 0.415 52 R N 2.644 123.247 120.500 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 2.219 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 3.235 118.960 115.700 0.042 0.000 2.562 53 S HA 0.302 4.772 4.470 0.000 0.000 0.275 53 S C 0.872 175.497 174.600 0.042 0.000 1.281 53 S CA -0.511 57.713 58.200 0.040 0.000 1.045 53 S CB 0.582 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 0.287 4.627 4.340 0.000 0.000 0.249 54 L C 0.032 177.122 176.870 0.367 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 0.229 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 53.924 53.050 0.228 0.000 0.947 55 N CB 1.773 40.316 38.487 0.093 0.000 1.098 55 N HN 0.296 nan 8.380 nan 0.000 0.450 56 G N 0.536 109.527 108.800 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 44.477 45.100 0.282 0.000 1.016 56 G HN 0.459 nan 8.290 nan 0.000 0.469 57 E N -0.321 120.074 120.200 0.325 0.000 2.316 57 E HA 0.497 4.847 4.350 0.000 0.000 0.275 57 E C -0.946 175.917 176.600 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 1.583 122.958 121.300 0.125 0.000 3.060 58 W HA 0.437 5.097 4.660 0.000 0.000 0.346 58 W C -0.505 176.111 176.519 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 1.526 122.291 120.500 0.442 0.000 2.445 59 R HA 0.591 4.931 4.340 0.000 0.000 0.308 59 R C -1.536 174.949 176.300 0.307 0.000 0.961 59 R CA -0.800 55.483 56.100 0.305 0.000 0.862 59 R CB 1.962 32.387 30.300 0.208 0.000 1.144 59 R HN 0.344 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 -1.288 174.376 175.800 -0.226 0.000 1.076 60 F CA -0.683 57.171 58.000 -0.243 0.000 0.928 60 F CB 2.043 40.753 39.000 -0.484 0.000 1.189 60 F HN 0.639 nan 8.300 nan 0.000 0.465 61 A N 4.285 126.173 122.820 -1.554 0.000 2.517 61 A HA 0.519 4.839 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 50.837 52.037 -1.133 0.000 0.694 61 A CB 0.468 19.198 19.000 -0.449 0.000 1.277 61 A HN 0.977 nan 8.150 nan 0.000 0.400 62 W N 2.504 123.067 121.300 -1.230 0.000 2.606 62 W HA 0.797 5.457 4.660 0.000 0.000 0.332 62 W C -1.982 174.084 176.519 -0.755 0.000 1.052 62 W CA -0.555 56.265 57.345 -0.875 0.000 1.223 62 W CB 1.320 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 5.539 124.885 119.950 -1.007 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 1.547 40.239 39.000 -0.513 0.000 1.250 63 F HN 0.187 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 64.069 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 -1.283 121.448 122.820 -0.150 0.000 2.605 65 A HA 0.528 4.848 4.320 0.000 0.000 0.294 65 A C -2.402 175.081 177.584 -0.168 0.000 1.062 65 A CA -1.074 50.901 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 -0.160 nan 4.420 nan 0.000 0.215 66 P C 1.022 178.208 177.300 -0.189 0.000 1.157 66 P CA 1.861 64.805 63.100 -0.260 0.000 0.863 66 P CB -0.016 31.492 31.700 -0.320 0.000 0.787 67 E N 0.748 120.905 120.200 -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 -0.059 0.000 0.997 67 E CA 1.579 57.964 56.400 -0.025 0.000 0.810 67 E CB -1.230 28.492 29.700 0.037 0.000 0.738 67 E HN 0.219 nan 8.360 nan 0.000 0.467 68 A N 1.710 124.490 122.820 -0.066 0.000 2.255 68 A HA 0.149 4.469 4.320 0.000 0.000 0.206 68 A C 1.110 178.590 177.584 -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 18.854 19.000 0.124 0.000 0.794 68 A HN 0.056 nan 8.150 nan 0.000 0.481 69 V N 1.017 120.692 119.914 -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 -1.362 60.548 62.300 -0.650 0.000 1.052 69 V CB 1.050 32.306 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 33.512 31.700 0.031 0.000 1.013 71 E N 1.447 121.632 120.200 -0.026 0.000 2.187 71 E HA -0.211 4.139 4.350 0.000 0.000 0.199 71 E C 1.514 178.081 176.600 -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 29.456 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 1.201 59.397 58.200 -0.007 0.000 1.014 72 S CB -0.786 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 2.641 123.857 121.300 -0.140 0.000 2.292 73 W HA -0.187 4.473 4.660 0.000 0.000 0.304 73 W C 1.639 178.047 176.519 -0.186 0.000 1.228 73 W CA 1.132 58.383 57.345 -0.156 0.000 1.241 73 W CB -0.684 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 0.039 120.971 121.223 -0.485 0.000 2.083 74 L HA -0.206 4.134 4.340 0.000 0.000 0.209 74 L C 2.607 179.203 176.870 -0.456 0.000 1.083 74 L CA 1.536 55.963 54.840 -0.689 0.000 0.752 74 L CB -0.714 41.013 42.059 -0.553 0.000 0.899 74 L HN -0.049 nan 8.230 nan 0.000 0.433 75 E N -1.247 118.786 120.200 -0.279 0.000 2.079 75 E HA 0.069 4.419 4.350 0.000 0.000 0.191 75 E C 0.353 176.864 176.600 -0.147 0.000 0.961 75 E CA 0.448 56.744 56.400 -0.174 0.000 0.823 75 E CB 0.109 29.747 29.700 -0.105 0.000 0.789 75 E HN 0.317 nan 8.360 nan 0.000 0.459 76 C N 1.917 121.148 119.300 -0.116 0.000 2.507 76 C HA 0.361 4.821 4.460 0.000 0.000 0.319 76 C C 0.196 175.181 174.990 -0.009 0.000 1.208 76 C CA -1.271 57.712 59.018 -0.057 0.000 1.619 76 C CB 1.566 29.294 27.740 -0.019 0.000 2.230 76 C HN 0.243 nan 8.230 nan 0.000 0.492 77 D N 1.270 121.680 120.400 0.016 0.000 2.378 77 D HA 0.217 4.857 4.640 0.000 0.000 0.238 77 D C -0.126 176.248 176.300 0.125 0.000 1.180 77 D CA 0.442 54.499 54.000 0.096 0.000 0.895 77 D CB 0.671 41.514 40.800 0.072 0.000 1.192 77 D HN 0.358 nan 8.370 nan 0.000 0.438 78 L N 2.457 123.781 121.223 0.168 0.000 2.416 78 L HA 0.217 4.557 4.340 0.000 0.000 0.262 78 L C -1.198 175.714 176.870 0.070 0.000 1.093 78 L CA -1.547 53.364 54.840 0.119 0.000 0.801 78 L CB 0.638 42.772 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 0.588 177.901 177.300 0.021 0.000 1.156 79 P CA 0.897 64.015 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 0.122 120.328 120.200 0.009 0.000 2.494 80 E HA 0.244 4.594 4.350 0.000 0.000 0.193 80 E C 0.763 177.354 176.600 -0.015 0.000 1.074 80 E CA -0.088 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 1.262 124.087 122.820 0.008 0.000 2.445 81 A HA 0.134 4.454 4.320 0.000 0.000 0.242 81 A C -0.033 177.582 177.584 0.051 0.000 1.075 81 A CA -0.234 51.811 52.037 0.013 0.000 0.777 81 A CB 0.372 19.407 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 54.011 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 -0.088 174.683 174.700 0.119 0.000 0.973 83 T CA -0.424 61.754 62.100 0.131 0.000 0.996 83 T CB 1.044 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 3.419 123.431 119.914 0.164 0.000 3.040 84 V HA 0.540 4.660 4.120 0.000 0.000 0.312 84 V C -0.320 175.877 176.094 0.172 0.000 1.115 84 V CA -0.923 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 0.634 nan 8.190 nan 0.000 0.433 85 V N 2.375 122.362 119.914 0.121 0.000 2.481 85 V HA 0.541 4.661 4.120 0.000 0.000 0.286 85 V C -0.213 175.930 176.094 0.081 0.000 1.042 85 V CA -0.427 61.950 62.300 0.127 0.000 0.928 85 V CB 1.564 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 6.786 126.694 119.914 -0.011 0.000 2.604 86 V HA 0.518 4.638 4.120 0.000 0.000 0.305 86 V C -2.275 173.738 176.094 -0.135 0.000 1.043 86 V CA -1.735 60.442 62.300 -0.205 0.000 0.888 86 V CB 2.690 34.063 31.823 -0.750 0.000 0.995 86 V HN 0.786 nan 8.190 nan 0.000 0.429 87 P HA 0.581 nan 4.420 nan 0.000 0.278 87 P C -0.970 176.283 177.300 -0.079 0.000 1.258 87 P CA -0.285 62.724 63.100 -0.152 0.000 0.811 87 P CB 1.523 33.139 31.700 -0.141 0.000 1.063 88 S N -0.354 115.320 115.700 -0.043 0.000 2.643 88 S HA 0.391 4.861 4.470 0.000 0.000 0.266 88 S C -1.486 173.083 174.600 -0.050 0.000 1.130 88 S CA -1.013 57.158 58.200 -0.048 0.000 0.817 88 S CB 0.123 63.311 63.200 -0.020 0.000 1.107 88 S HN 0.333 nan 8.310 nan 0.000 0.471 89 N N 1.141 119.731 118.700 -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 -0.755 52.160 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 3.063 124.239 121.300 -0.207 0.000 2.350 90 W HA -0.169 4.491 4.660 0.000 0.000 0.289 90 W C 0.947 177.458 176.519 -0.013 0.000 1.215 90 W CA 1.141 58.370 57.345 -0.193 0.000 1.236 90 W CB -0.440 28.825 29.460 -0.325 0.000 1.130 90 W HN 0.497 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 2.052 178.035 176.000 -0.029 0.000 0.976 91 Q CA 1.673 57.504 55.803 0.046 0.000 0.875 91 Q CB -0.630 28.008 28.738 -0.167 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 -0.038 4.442 4.480 0.000 0.000 0.254 92 M C 0.413 176.686 176.300 -0.046 0.000 1.092 92 M CA 1.244 56.431 55.300 -0.190 0.000 1.087 92 M CB -0.532 31.886 32.600 -0.303 0.000 1.453 92 M HN 0.336 nan 8.290 nan 0.000 0.509 93 H N -1.359 117.784 119.070 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 0.467 30.428 29.762 0.332 0.000 1.575 93 H HN 0.502 nan 8.280 nan 0.000 0.547 94 G N 0.624 109.464 108.800 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 0.520 175.330 174.900 -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 1.813 122.149 120.300 0.061 0.000 2.207 95 Y HA 0.196 4.746 4.550 0.000 0.000 0.287 95 Y C 1.722 177.444 175.900 -0.295 0.000 1.156 95 Y CA 1.640 59.648 58.100 -0.153 0.000 1.182 95 Y CB -0.073 38.307 38.460 -0.134 0.000 0.979 95 Y HN 0.664 nan 8.280 nan 0.000 0.521 96 D N -2.431 118.117 120.400 0.247 0.000 2.768 96 D HA 0.513 5.153 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 -0.768 53.377 54.000 0.243 0.000 0.897 96 D CB 0.690 41.797 40.800 0.512 0.000 1.420 96 D HN 0.002 nan 8.370 nan 0.000 0.494 97 A N -0.347 122.605 122.820 0.220 0.000 2.316 97 A HA 0.703 5.023 4.320 0.000 0.000 0.284 97 A C -2.413 175.226 177.584 0.091 0.000 1.115 97 A CA -1.133 51.005 52.037 0.169 0.000 0.812 97 A CB 0.093 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 -0.857 176.577 177.300 0.224 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 2.236 123.034 120.570 0.381 0.000 2.493 99 I HA 0.344 4.514 4.170 0.000 0.000 0.298 99 I C -0.629 175.708 176.117 0.368 0.000 0.998 99 I CA -0.978 60.559 61.300 0.396 0.000 1.137 99 I CB 1.807 39.961 38.000 0.256 0.000 1.310 99 I HN 0.311 nan 8.210 nan 0.000 0.445 100 Y N 5.339 125.619 120.300 -0.032 0.000 2.686 100 Y HA 0.430 4.980 4.550 0.000 0.000 0.331 100 Y C -0.381 175.366 175.900 -0.255 0.000 0.996 100 Y CA -0.523 57.298 58.100 -0.465 0.000 1.293 100 Y CB 0.840 38.412 38.460 -1.482 0.000 1.092 100 Y HN 0.675 nan 8.280 nan 0.000 0.524 101 T N 0.960 114.979 114.554 -0.892 0.000 2.930 101 T HA 0.334 4.684 4.350 0.000 0.000 0.290 101 T C 0.203 174.370 174.700 -0.889 0.000 1.052 101 T CA -0.810 60.794 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 -0.214 118.064 118.700 -0.703 0.000 2.622 102 N HA 0.021 4.761 4.740 0.000 0.000 0.213 102 N C 1.170 176.382 175.510 -0.497 0.000 1.037 102 N CA 0.172 52.916 53.050 -0.509 0.000 0.999 102 N CB 0.417 38.619 38.487 -0.474 0.000 1.342 102 N HN 0.334 nan 8.380 nan 0.000 0.465 103 V N 0.914 120.471 119.914 -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 0.768 62.639 62.300 -0.715 0.000 1.073 103 V CB -0.090 31.235 31.823 -0.829 0.000 0.746 103 V HN 0.280 nan 8.190 nan 0.000 0.476 104 T N 1.140 115.435 114.554 -0.432 0.000 2.871 104 T HA 0.106 4.456 4.350 0.000 0.000 0.296 104 T C -0.405 174.133 174.700 -0.271 0.000 0.998 104 T CA 0.369 62.291 62.100 -0.297 0.000 1.162 104 T CB -0.298 68.435 68.868 -0.224 0.000 0.947 104 T HN 0.189 nan 8.240 nan 0.000 0.536 105 Y N 4.835 125.024 120.300 -0.185 0.000 2.597 105 Y HA 0.112 4.662 4.550 0.000 0.000 0.336 105 Y C -0.939 174.819 175.900 -0.236 0.000 1.216 105 Y CA -1.830 56.148 58.100 -0.204 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 -0.123 nan 4.420 nan 0.000 0.220 106 P C 0.128 177.232 177.300 -0.326 0.000 1.148 106 P CA 1.405 64.385 63.100 -0.201 0.000 0.803 106 P CB 0.194 31.756 31.700 -0.230 0.000 0.782 107 I N -4.836 115.479 120.570 -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 39.072 38.000 -0.720 0.000 1.245 107 I HN -0.425 nan 8.210 nan 0.000 0.485 108 T N 2.268 116.724 114.554 -0.163 0.000 2.919 108 T HA 0.221 4.571 4.350 0.000 0.000 0.302 108 T C 0.142 174.820 174.700 -0.036 0.000 1.031 108 T CA -0.321 61.741 62.100 -0.063 0.000 1.127 108 T CB 0.987 69.849 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 0.649 176.813 176.094 0.117 0.000 1.083 109 V CA -0.180 62.158 62.300 0.064 0.000 0.993 109 V CB -0.384 31.462 31.823 0.039 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 0.236 0.000 2.679 110 N HA 0.241 4.981 4.740 0.000 0.000 0.240 110 N C -2.993 172.582 175.510 0.108 0.000 1.537 110 N CA -1.242 51.917 53.050 0.183 0.000 0.793 110 N CB 1.474 40.117 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 0.367 31.392 31.700 -1.125 0.000 0.838 112 P HA 0.277 nan 4.420 nan 0.000 0.257 112 P C -0.679 176.454 177.300 -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 31.254 31.700 -0.398 0.000 1.572 113 F N -0.328 119.737 119.950 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 57.167 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 3.697 123.917 119.914 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 -1.890 60.644 62.300 0.389 0.000 1.008 114 V CB 1.879 34.026 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 0.807 178.271 177.300 0.274 0.000 1.259 115 P CA -0.048 63.178 63.100 0.209 0.000 0.794 115 P CB 0.910 32.692 31.700 0.136 0.000 0.940 116 T N 0.240 114.917 114.554 0.205 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 1.413 63.629 62.100 0.193 0.000 1.145 116 T CB -0.815 68.130 68.868 0.128 0.000 0.858 116 T HN 0.385 nan 8.240 nan 0.000 0.459 117 E N 2.721 123.038 120.200 0.194 0.000 1.941 117 E HA 0.446 4.796 4.350 0.000 0.000 0.275 117 E C -0.644 176.108 176.600 0.254 0.000 1.113 117 E CA -0.301 56.213 56.400 0.190 0.000 0.878 117 E CB 0.316 30.134 29.700 0.195 0.000 1.070 117 E HN 0.496 nan 8.360 nan 0.000 0.399 118 N N 3.354 122.158 118.700 0.174 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 50.431 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 0.548 63.513 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 2.668 116.876 114.554 -0.578 0.000 2.824 120 T HA 0.602 4.952 4.350 0.000 0.000 0.280 120 T C 0.459 174.733 174.700 -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 70.302 68.868 -0.420 0.000 0.955 120 T HN 0.321 nan 8.240 nan 0.000 0.452 121 G N 0.901 109.427 108.800 -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 -0.336 174.498 174.900 -0.110 0.000 1.266 121 G CA -0.456 44.387 45.100 -0.428 0.000 0.967 121 G HN 0.905 nan 8.290 nan 0.000 0.493 122 C N 3.172 122.129 119.300 -0.571 0.000 2.281 122 C HA 0.478 4.938 4.460 0.000 0.000 0.336 122 C C -0.489 174.472 174.990 -0.049 0.000 1.217 122 C CA -1.048 57.638 59.018 -0.553 0.000 1.730 122 C CB -1.752 25.043 27.740 -1.576 0.000 2.338 122 C HN 0.596 nan 8.230 nan 0.000 0.521 123 Y N 1.747 122.252 120.300 0.342 0.000 2.387 123 Y HA 0.625 5.175 4.550 0.000 0.000 0.330 123 Y C 0.761 177.112 175.900 0.752 0.000 1.133 123 Y CA -0.458 57.987 58.100 0.576 0.000 1.152 123 Y CB 1.372 40.144 38.460 0.519 0.000 1.215 123 Y HN 0.695 nan 8.280 nan 0.000 0.466 124 S N 2.853 119.042 115.700 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 2.202 65.634 63.200 0.387 0.000 1.105 124 S HN 0.678 nan 8.310 nan 0.000 0.470 125 L N 0.911 122.076 121.223 -0.096 0.000 2.565 125 L HA 0.685 5.025 4.340 0.000 0.000 0.261 125 L C -1.512 175.334 176.870 -0.040 0.000 0.932 125 L CA -0.013 54.605 54.840 -0.369 0.000 0.878 125 L CB 2.246 43.494 42.059 -1.351 0.000 1.333 125 L HN 0.784 nan 8.230 nan 0.000 0.409 126 T N 5.280 119.823 114.554 -0.017 0.000 2.771 126 T HA 0.754 5.104 4.350 0.000 0.000 0.281 126 T C -0.895 173.888 174.700 0.138 0.000 0.982 126 T CA -0.086 62.042 62.100 0.047 0.000 0.978 126 T CB 0.562 69.407 68.868 -0.039 0.000 0.930 126 T HN 0.470 nan 8.240 nan 0.000 0.447 127 F N 0.711 120.581 119.950 -0.134 0.000 2.711 127 F HA 0.695 5.222 4.527 0.000 0.000 0.313 127 F C -0.986 174.756 175.800 -0.096 0.000 1.141 127 F CA -1.497 56.430 58.000 -0.122 0.000 0.941 127 F CB 1.326 40.244 39.000 -0.137 0.000 1.349 127 F HN 0.265 nan 8.300 nan 0.000 0.464 128 N N 0.149 118.800 118.700 -0.082 0.000 2.443 128 N HA 0.707 5.447 4.740 0.000 0.000 0.295 128 N C -1.670 173.788 175.510 -0.086 0.000 1.076 128 N CA -0.591 52.366 53.050 -0.154 0.000 0.919 128 N CB 2.157 40.585 38.487 -0.099 0.000 1.176 128 N HN 0.582 nan 8.380 nan 0.000 0.487 129 V N 1.361 121.184 119.914 -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 61.196 62.300 -0.149 0.000 0.873 129 V CB 1.600 33.389 31.823 -0.056 0.000 0.992 129 V HN 0.653 nan 8.190 nan 0.000 0.428 130 D N 2.913 123.098 120.400 -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 0.877 nan 8.370 nan 0.000 0.438 131 E N 1.067 121.231 120.200 -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 0.813 57.218 56.400 0.008 0.000 0.851 131 E CB -0.195 29.505 29.700 -0.001 0.000 0.795 131 E HN 0.378 nan 8.360 nan 0.000 0.492 132 S N 0.385 116.119 115.700 0.057 0.000 2.387 132 S HA -0.222 4.248 4.470 0.000 0.000 0.230 132 S C 1.538 176.236 174.600 0.164 0.000 1.035 132 S CA 1.049 59.313 58.200 0.106 0.000 1.014 132 S CB -0.865 62.403 63.200 0.114 0.000 0.836 132 S HN 0.522 nan 8.310 nan 0.000 0.466 133 W N 1.471 122.643 121.300 -0.213 0.000 2.402 133 W HA 0.283 4.943 4.660 0.000 0.000 0.286 133 W C 2.224 178.688 176.519 -0.092 0.000 1.221 133 W CA -0.070 57.019 57.345 -0.427 0.000 1.257 133 W CB -0.854 28.363 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 -0.182 4.158 4.340 0.000 0.000 0.214 134 L C 2.292 179.237 176.870 0.124 0.000 1.120 134 L CA 0.969 55.906 54.840 0.162 0.000 0.799 134 L CB -0.375 41.748 42.059 0.107 0.000 0.925 134 L HN 0.044 nan 8.230 nan 0.000 0.446 135 Q N -0.326 119.541 119.800 0.113 0.000 1.922 135 Q HA -0.103 4.237 4.340 0.000 0.000 0.201 135 Q C 0.891 176.947 176.000 0.094 0.000 0.979 135 Q CA 1.052 56.907 55.803 0.087 0.000 0.841 135 Q CB -0.007 28.775 28.738 0.073 0.000 0.903 135 Q HN 0.260 nan 8.270 nan 0.000 0.431 136 E N 0.329 120.601 120.200 0.119 0.000 2.281 136 E HA 0.438 4.788 4.350 0.000 0.000 0.257 136 E C 0.337 177.035 176.600 0.164 0.000 0.971 136 E CA 0.007 56.473 56.400 0.110 0.000 0.839 136 E CB 1.037 30.785 29.700 0.079 0.000 1.238 136 E HN 0.347 nan 8.360 nan 0.000 0.412 137 G N 0.770 109.585 108.800 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 -0.838 173.963 174.900 -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 -0.643 118.909 119.800 -0.412 0.000 2.356 138 Q HA 0.653 4.993 4.340 0.000 0.000 0.270 138 Q C -1.233 174.625 176.000 -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 4.641 119.207 114.554 0.019 0.000 2.809 139 T HA 0.522 4.872 4.350 0.000 0.000 0.284 139 T C -0.911 173.862 174.700 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 3.365 123.916 120.500 0.085 0.000 2.837 140 R HA 0.721 5.061 4.340 0.000 0.000 0.271 140 R C -1.311 175.032 176.300 0.072 0.000 0.993 140 R CA -0.951 55.204 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 -0.994 175.044 176.117 -0.133 0.000 0.995 141 I CA -1.448 59.808 61.300 -0.073 0.000 1.148 141 I CB 1.506 39.429 38.000 -0.128 0.000 1.323 141 I HN 0.644 nan 8.210 nan 0.000 0.461 142 I N 6.593 126.976 120.570 -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 1.750 39.675 38.000 -0.124 0.000 1.229 142 I HN 0.354 nan 8.210 nan 0.000 0.429 143 F N 4.529 124.484 119.950 0.007 0.000 2.350 143 F HA 0.252 4.779 4.527 0.000 0.000 0.365 143 F C 1.281 176.987 175.800 -0.156 0.000 1.122 143 F CA -0.449 57.489 58.000 -0.103 0.000 1.139 143 F CB 0.836 39.763 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 0.051 4.691 4.640 0.000 0.000 0.208 144 D C 0.947 177.103 176.300 -0.240 0.000 0.966 144 D CA 0.903 54.813 54.000 -0.150 0.000 0.864 144 D CB 0.362 41.040 40.800 -0.203 0.000 0.933 144 D HN 0.650 nan 8.370 nan 0.000 0.499 145 G N -0.699 107.883 108.800 -0.362 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 -0.761 175.385 176.094 0.086 0.000 1.035 146 V CA -1.128 61.036 62.300 -0.227 0.000 0.867 146 V CB 1.853 33.273 31.823 -0.672 0.000 1.004 146 V HN 0.784 nan 8.190 nan 0.000 0.426 147 N N 2.611 121.409 118.700 0.163 0.000 2.372 147 N HA 0.392 5.132 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 0.158 53.236 53.050 0.045 0.000 0.880 147 N CB 2.421 40.849 38.487 -0.099 0.000 1.239 147 N HN 0.599 nan 8.380 nan 0.000 0.484 148 S N 2.426 118.102 115.700 -0.039 0.000 2.502 148 S HA 0.495 4.965 4.470 0.000 0.000 0.228 148 S C 0.549 175.215 174.600 0.110 0.000 1.061 148 S CA 0.338 58.568 58.200 0.050 0.000 0.935 148 S CB 0.050 63.295 63.200 0.076 0.000 0.809 148 S HN 0.694 nan 8.310 nan 0.000 0.510 149 A N 0.744 123.643 122.820 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 0.261 0.000 1.147 149 A CA -0.974 51.133 52.037 0.118 0.000 0.750 149 A CB 1.095 20.185 19.000 0.150 0.000 1.331 149 A HN 1.234 nan 8.150 nan 0.000 0.419 150 F N -1.126 118.731 119.950 -0.154 0.000 2.746 150 F HA 0.595 5.122 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 57.185 58.000 -0.003 0.000 0.954 150 F CB 0.865 39.824 39.000 -0.069 0.000 1.276 150 F HN 0.643 nan 8.300 nan 0.000 0.440 151 H N 1.905 121.147 119.070 0.286 0.000 2.533 151 H HA 0.812 5.368 4.556 0.000 0.000 0.343 151 H C -1.402 174.009 175.328 0.139 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 2.099 123.226 121.223 -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 1.851 43.757 42.059 -0.256 0.000 1.310 152 L HN 0.508 nan 8.230 nan 0.000 0.409 153 W N 4.183 125.446 121.300 -0.062 0.000 2.936 153 W HA 0.631 5.291 4.660 0.000 0.000 0.338 153 W C -1.235 175.210 176.519 -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 4.973 124.342 119.300 0.114 0.000 2.446 154 C HA 0.318 4.778 4.460 0.000 0.000 0.329 154 C C 0.092 175.180 174.990 0.162 0.000 1.166 154 C CA -0.387 58.679 59.018 0.081 0.000 1.341 154 C CB -0.410 27.298 27.740 -0.054 0.000 1.970 154 C HN 0.800 nan 8.230 nan 0.000 0.452 155 N N 3.724 122.487 118.700 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 2.105 55.196 53.050 0.068 0.000 0.720 155 N CB -1.301 37.228 38.487 0.070 0.000 0.930 155 N HN 1.932 nan 8.380 nan 0.000 0.543 156 G N -1.326 107.515 108.800 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 45.800 45.100 0.058 0.000 0.625 156 G HN 0.573 nan 8.290 nan 0.000 0.532 157 R N -0.854 119.873 120.500 0.379 0.000 2.312 157 R HA 0.455 4.795 4.340 0.000 0.000 0.311 157 R C -0.067 176.533 176.300 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 31.299 30.300 0.547 0.000 1.073 157 R HN 0.258 nan 8.270 nan 0.000 0.457 158 W N 3.997 125.450 121.300 0.255 0.000 2.251 158 W HA 0.093 4.753 4.660 0.000 0.000 0.327 158 W C -0.136 176.209 176.519 -0.290 0.000 1.361 158 W CA 0.059 57.148 57.345 -0.427 0.000 1.234 158 W CB 0.627 29.882 29.460 -0.341 0.000 1.212 158 W HN 0.345 nan 8.180 nan 0.000 0.557 159 V N 4.958 123.822 119.914 -1.750 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 -1.478 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 -1.698 105.904 108.800 -1.996 0.000 2.554 160 G HA2 0.525 4.485 3.960 0.000 0.000 0.306 160 G HA3 0.525 4.485 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 -0.328 44.140 45.100 -1.054 0.000 0.800 160 G HN -0.013 nan 8.290 nan 0.000 0.481 161 Y N -0.656 119.594 120.300 -0.084 0.000 2.588 161 Y HA 0.739 5.289 4.550 0.000 0.000 0.343 161 Y C -0.043 175.727 175.900 -0.218 0.000 1.065 161 Y CA -0.259 57.679 58.100 -0.270 0.000 1.038 161 Y CB 2.333 40.729 38.460 -0.108 0.000 1.297 161 Y HN 1.192 nan 8.280 nan 0.000 0.467 162 G N 3.316 111.357 108.800 -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 -0.905 43.730 45.100 -0.776 0.000 0.928 162 G HN 0.599 nan 8.290 nan 0.000 0.520 163 Q N -0.085 119.517 119.800 -0.332 0.000 2.496 163 Q HA 0.609 4.949 4.340 0.000 0.000 0.286 163 Q C -1.359 174.637 176.000 -0.007 0.000 1.103 163 Q CA -0.842 54.880 55.803 -0.134 0.000 0.813 163 Q CB 2.781 31.482 28.738 -0.062 0.000 1.444 163 Q HN 0.653 nan 8.270 nan 0.000 0.443 164 D N -0.075 120.360 120.400 0.057 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 -0.700 40.137 40.800 0.062 0.000 0.691 164 D HN 0.575 nan 8.370 nan 0.000 0.320 165 S N 3.077 118.854 115.700 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 0.148 0.000 0.763 165 S HN 0.568 nan 8.310 nan 0.000 0.512 166 R N 0.231 120.821 120.500 0.150 0.000 2.362 166 R HA 0.449 4.789 4.340 0.000 0.000 0.227 166 R C 0.054 176.415 176.300 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 1.277 122.538 121.223 0.063 0.000 2.301 167 L HA 0.501 4.841 4.340 0.000 0.000 0.264 167 L C -2.334 174.528 176.870 -0.014 0.000 1.016 167 L CA -2.439 52.411 54.840 0.016 0.000 0.821 167 L CB 1.960 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 -1.143 176.144 177.300 -0.020 0.000 1.215 168 P CA -0.221 62.850 63.100 -0.048 0.000 0.780 168 P CB 0.795 32.427 31.700 -0.113 0.000 0.898 169 S N 1.106 116.846 115.700 0.066 0.000 2.561 169 S HA 0.362 4.832 4.470 0.000 0.000 0.303 169 S C -0.734 173.869 174.600 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 1.903 121.927 120.200 -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 -0.497 0.000 0.887 170 E CA -0.618 55.657 56.400 -0.209 0.000 0.769 170 E CB 1.689 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 0.333 120.301 119.950 0.029 0.000 2.578 171 F HA 0.239 4.766 4.527 0.000 0.000 0.311 171 F C -0.185 175.617 175.800 0.004 0.000 1.094 171 F CA -1.201 56.801 58.000 0.003 0.000 0.923 171 F CB 1.356 40.334 39.000 -0.037 0.000 1.230 171 F HN 0.242 nan 8.300 nan 0.000 0.450 172 D N 2.423 122.959 120.400 0.226 0.000 2.336 172 D HA 0.263 4.903 4.640 0.000 0.000 0.249 172 D C 0.462 176.887 176.300 0.208 0.000 1.213 172 D CA 0.284 54.388 54.000 0.172 0.000 0.870 172 D CB 1.005 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 2.191 179.302 176.870 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 42.118 42.059 0.193 0.000 1.026 173 L HN 0.329 nan 8.230 nan 0.000 0.469 174 S N 1.183 117.049 115.700 0.277 0.000 2.429 174 S HA -0.354 4.116 4.470 0.000 0.000 0.251 174 S C 1.870 176.578 174.600 0.181 0.000 1.104 174 S CA 2.054 60.379 58.200 0.208 0.000 1.130 174 S CB -0.280 63.001 63.200 0.135 0.000 1.000 174 S HN 0.586 nan 8.310 nan 0.000 0.449 175 A N -0.828 122.100 122.820 0.179 0.000 2.251 175 A HA 0.371 4.691 4.320 0.000 0.000 0.209 175 A C 0.979 178.422 177.584 -0.235 0.000 1.187 175 A CA 0.235 52.218 52.037 -0.091 0.000 0.823 175 A CB -0.258 18.549 19.000 -0.323 0.000 0.846 175 A HN 0.487 nan 8.150 nan 0.000 0.486 176 F N -0.962 119.023 119.950 0.058 0.000 2.706 176 F HA 0.391 4.918 4.527 0.000 0.000 0.313 176 F C 0.285 176.114 175.800 0.048 0.000 1.096 176 F CA -0.682 57.349 58.000 0.051 0.000 1.219 176 F CB -0.052 38.980 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 43.104 42.059 0.183 0.000 1.149 177 L HN -0.009 nan 8.230 nan 0.000 0.442 178 R N 1.587 122.096 120.500 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 1.719 31.994 30.300 -0.042 0.000 1.155 178 R HN 0.693 nan 8.270 nan 0.000 0.486 179 A N 0.826 123.626 122.820 -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 18.938 19.000 -0.031 0.000 1.020 179 A HN 0.893 nan 8.150 nan 0.000 0.489 180 G N 0.791 109.528 108.800 -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 0.059 174.842 174.900 -0.196 0.000 1.155 180 G CA 0.353 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 2.359 122.446 120.200 -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 -0.047 56.203 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 3.058 121.405 118.700 -0.588 0.000 2.321 182 N HA 0.413 5.153 4.740 0.000 0.000 0.290 182 N C -0.845 174.346 175.510 -0.533 0.000 1.212 182 N CA -0.739 51.938 53.050 -0.622 0.000 0.767 182 N CB 2.383 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 1.434 121.815 120.500 -0.197 0.000 2.532 183 R HA 0.462 4.802 4.340 0.000 0.000 0.297 183 R C -1.332 175.036 176.300 0.114 0.000 0.984 183 R CA -0.517 55.576 56.100 -0.012 0.000 0.884 183 R CB 1.301 31.560 30.300 -0.069 0.000 1.182 183 R HN 0.512 nan 8.270 nan 0.000 0.442 184 L N 2.906 124.253 121.223 0.208 0.000 2.309 184 L HA 0.656 4.996 4.340 0.000 0.000 0.282 184 L C -0.203 176.757 176.870 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 3.785 126.699 122.820 0.157 0.000 2.410 185 A HA 0.676 4.996 4.320 0.000 0.000 0.289 185 A C -0.897 177.002 177.584 0.526 0.000 1.200 185 A CA -0.439 51.632 52.037 0.057 0.000 0.751 185 A CB 1.190 19.622 19.000 -0.948 0.000 1.161 185 A HN 0.377 nan 8.150 nan 0.000 0.459 186 V N 3.317 123.691 119.914 0.767 0.000 2.357 186 V HA 0.480 4.600 4.120 0.000 0.000 0.284 186 V C 0.120 176.690 176.094 0.794 0.000 1.018 186 V CA -0.320 62.405 62.300 0.710 0.000 0.841 186 V CB 1.250 33.292 31.823 0.364 0.000 0.991 186 V HN 0.946 nan 8.190 nan 0.000 0.437 187 M N 6.282 126.362 119.600 0.800 0.000 2.088 187 M HA 0.602 5.082 4.480 0.000 0.000 0.346 187 M C -1.437 175.105 176.300 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 6.720 126.806 119.914 0.288 0.000 2.472 188 V HA 0.529 4.649 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 1.631 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 2.804 124.116 121.223 0.149 0.000 2.362 189 L HA 0.672 5.012 4.340 0.000 0.000 0.271 189 L C 1.049 177.878 176.870 -0.068 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 1.555 121.911 120.500 -0.240 0.000 2.082 190 R HA 0.004 4.344 4.340 0.000 0.000 0.228 190 R C -0.210 175.692 176.300 -0.663 0.000 1.140 190 R CA 1.770 57.426 56.100 -0.740 0.000 0.920 190 R CB 0.012 29.535 30.300 -1.294 0.000 0.828 190 R HN 0.628 nan 8.270 nan 0.000 0.430 191 W N 0.363 121.722 121.300 0.098 0.000 2.375 191 W HA 0.297 4.957 4.660 0.000 0.000 0.336 191 W C 0.143 176.781 176.519 0.197 0.000 1.160 191 W CA -0.693 56.723 57.345 0.117 0.000 1.266 191 W CB 1.059 30.588 29.460 0.116 0.000 1.195 191 W HN 0.141 nan 8.180 nan 0.000 0.599 192 S N -1.175 114.818 115.700 0.489 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 -0.488 58.007 58.200 0.492 0.000 0.815 192 S CB 1.129 64.578 63.200 0.416 0.000 1.130 192 S HN 0.632 nan 8.310 nan 0.000 0.471 193 D N 0.802 121.453 120.400 0.419 0.000 2.178 193 D HA 0.035 4.675 4.640 0.000 0.000 0.201 193 D C 1.898 178.489 176.300 0.485 0.000 0.980 193 D CA 1.308 55.584 54.000 0.460 0.000 0.842 193 D CB -0.838 40.116 40.800 0.258 0.000 0.948 193 D HN 0.733 nan 8.370 nan 0.000 0.472 194 G N 0.198 109.208 108.800 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 1.051 46.328 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 1.133 59.469 58.200 0.227 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 1.261 121.658 120.300 0.162 0.000 2.384 196 Y HA -0.010 4.540 4.550 0.000 0.000 0.289 196 Y C 1.610 177.603 175.900 0.155 0.000 1.152 196 Y CA 0.684 58.802 58.100 0.030 0.000 1.258 196 Y CB -0.287 38.092 38.460 -0.135 0.000 0.979 196 Y HN 0.199 nan 8.280 nan 0.000 0.549 197 L N -0.046 121.364 121.223 0.312 0.000 2.700 197 L HA 0.125 4.465 4.340 0.000 0.000 0.234 197 L C -0.071 176.937 176.870 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 0.045 4.395 4.350 0.000 0.000 0.216 198 E C -0.469 176.247 176.600 0.193 0.000 1.104 198 E CA -0.091 56.444 56.400 0.224 0.000 1.383 198 E CB 0.511 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 -0.044 53.923 54.000 -0.055 0.000 0.835 199 D CB 0.096 40.630 40.800 -0.444 0.000 0.975 199 D HN 0.077 nan 8.370 nan 0.000 0.490 200 Q N 0.563 120.443 119.800 0.133 0.000 2.349 200 Q HA 0.057 4.397 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 0.246 56.188 55.803 0.232 0.000 0.918 200 Q CB 0.515 29.531 28.738 0.463 0.000 1.242 200 Q HN 0.120 nan 8.270 nan 0.000 0.405 201 D N 3.424 123.928 120.400 0.174 0.000 2.441 201 D HA 0.207 4.847 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 0.058 54.120 54.000 0.103 0.000 1.027 201 D CB -0.319 40.522 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 0.460 4.940 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 -0.050 0.000 1.638 202 M HN -0.035 nan 8.290 nan 0.000 0.479 203 W N 1.989 123.360 121.300 0.118 0.000 2.216 203 W HA 0.378 5.038 4.660 0.000 0.000 0.326 203 W C 0.126 176.654 176.519 0.014 0.000 1.319 203 W CA -0.211 57.194 57.345 0.099 0.000 1.213 203 W CB 0.532 29.993 29.460 0.001 0.000 1.171 203 W HN 0.275 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 0.424 4.764 4.340 0.000 0.000 0.340 204 R C -0.130 176.204 176.300 0.056 0.000 1.043 204 R CA -0.183 56.020 56.100 0.172 0.000 0.883 204 R CB 0.246 30.692 30.300 0.245 0.000 1.078 204 R HN 0.581 nan 8.270 nan 0.000 0.462 205 M N 0.268 119.796 119.600 -0.120 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 2.185 34.585 32.600 -0.333 0.000 1.698 205 M HN 0.664 nan 8.290 nan 0.000 0.475 206 S N -1.306 113.969 115.700 -0.710 0.000 2.611 206 S HA 0.866 5.336 4.470 0.000 0.000 0.270 206 S C -0.644 173.515 174.600 -0.735 0.000 1.131 206 S CA -0.307 57.395 58.200 -0.831 0.000 0.826 206 S CB 1.504 64.037 63.200 -1.111 0.000 1.095 206 S HN 1.470 nan 8.310 nan 0.000 0.461 207 G N 0.102 108.679 108.800 -0.371 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 -1.557 173.305 174.900 -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 2.112 122.525 120.570 -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 60.741 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 3.720 123.527 119.950 -0.238 0.000 2.727 209 F HA 0.457 4.984 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 -0.517 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 0.719 120.808 120.500 -0.685 0.000 2.867 210 R HA 0.225 4.565 4.340 0.000 0.000 0.268 210 R C -0.889 175.262 176.300 -0.249 0.000 1.014 210 R CA -1.160 54.685 56.100 -0.425 0.000 0.946 210 R CB 1.063 31.049 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 -0.123 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 41.217 40.800 -0.020 0.000 1.213 211 D HN 0.011 nan 8.370 nan 0.000 0.478 212 V N 0.778 120.662 119.914 -0.050 0.000 2.588 212 V HA 0.639 4.759 4.120 0.000 0.000 0.304 212 V C -0.239 175.815 176.094 -0.067 0.000 1.042 212 V CA -0.586 61.668 62.300 -0.077 0.000 0.877 212 V CB 1.771 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 4.420 120.032 115.700 -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 1.961 65.144 63.200 -0.028 0.000 1.146 213 S HN 0.474 nan 8.310 nan 0.000 0.475 214 L N 1.321 122.564 121.223 0.034 0.000 2.386 214 L HA 0.680 5.020 4.340 0.000 0.000 0.271 214 L C -1.638 175.341 176.870 0.182 0.000 0.993 214 L CA -0.798 54.123 54.840 0.134 0.000 0.819 214 L CB 1.833 44.059 42.059 0.278 0.000 1.294 214 L HN 0.593 nan 8.230 nan 0.000 0.414 215 L N 2.468 123.754 121.223 0.105 0.000 2.381 215 L HA 0.478 4.818 4.340 0.000 0.000 0.274 215 L C -0.958 175.812 176.870 -0.167 0.000 0.988 215 L CA -0.254 54.583 54.840 -0.005 0.000 0.824 215 L CB 1.590 43.650 42.059 0.001 0.000 1.263 215 L HN 0.454 nan 8.230 nan 0.000 0.410 216 H N 4.176 122.923 119.070 -0.540 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 0.782 29.471 29.762 -1.788 0.000 1.396 216 H HN 0.576 nan 8.280 nan 0.000 0.467 217 K N 5.599 125.504 120.400 -0.824 0.000 2.375 217 K HA 0.389 4.709 4.320 0.000 0.000 0.249 217 K C -2.723 173.517 176.600 -0.600 0.000 0.942 217 K CA -2.445 53.498 56.287 -0.574 0.000 0.806 217 K CB 1.835 34.105 32.500 -0.382 0.000 1.227 217 K HN 0.438 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 -0.032 62.909 63.100 -0.264 0.000 0.785 218 P CB 0.443 32.040 31.700 -0.171 0.000 0.923 219 T N -1.997 112.459 114.554 -0.164 0.000 2.821 219 T HA -0.055 4.295 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 1.312 63.333 62.100 -0.132 0.000 1.139 219 T CB -0.838 67.978 68.868 -0.086 0.000 0.871 219 T HN 0.337 nan 8.240 nan 0.000 0.454 220 T N 3.314 117.787 114.554 -0.134 0.000 2.801 220 T HA 0.479 4.829 4.350 0.000 0.000 0.306 220 T C -0.344 174.256 174.700 -0.167 0.000 1.020 220 T CA -0.804 61.205 62.100 -0.152 0.000 0.948 220 T CB 0.849 69.632 68.868 -0.142 0.000 0.962 220 T HN 0.614 nan 8.240 nan 0.000 0.465 221 Q N 2.588 122.273 119.800 -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 29.911 28.738 -0.265 0.000 1.500 221 Q HN 0.434 nan 8.270 nan 0.000 0.441 222 I N 2.747 123.173 120.570 -0.241 0.000 2.505 222 I HA -0.026 4.144 4.170 0.000 0.000 0.287 222 I C 0.984 176.900 176.117 -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 38.811 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 0.231 174.937 174.600 0.176 0.000 1.011 223 S CA -0.098 58.053 58.200 -0.083 0.000 0.921 223 S CB 0.251 63.430 63.200 -0.036 0.000 0.785 223 S HN 0.756 nan 8.310 nan 0.000 0.517 224 D N -0.601 119.953 120.400 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 0.990 41.919 40.800 0.216 0.000 1.379 224 D HN 0.256 nan 8.370 nan 0.000 0.437 225 F N -0.336 119.621 119.950 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 57.099 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 54.442 56.048 -0.122 0.000 1.165 226 H CB 2.603 32.311 29.762 -0.089 0.000 1.722 226 H HN 0.620 nan 8.280 nan 0.000 0.543 227 V N 1.065 121.020 119.914 0.070 0.000 2.769 227 V HA 0.831 4.951 4.120 0.000 0.000 0.312 227 V C -0.463 175.608 176.094 -0.038 0.000 1.061 227 V CA -0.643 61.664 62.300 0.013 0.000 0.931 227 V CB 1.623 33.431 31.823 -0.025 0.000 1.010 227 V HN 0.986 nan 8.190 nan 0.000 0.433 228 A N 2.130 124.908 122.820 -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 2.055 21.025 19.000 -0.049 0.000 1.282 228 A HN 0.939 nan 8.150 nan 0.000 0.400 229 T N -0.130 114.325 114.554 -0.165 0.000 2.829 229 T HA 0.810 5.160 4.350 0.000 0.000 0.280 229 T C -0.363 174.149 174.700 -0.313 0.000 0.999 229 T CA -0.706 61.227 62.100 -0.279 0.000 0.983 229 T CB 1.588 70.252 68.868 -0.339 0.000 0.968 229 T HN 0.704 nan 8.240 nan 0.000 0.446 230 R N 1.386 121.586 120.500 -0.502 0.000 2.750 230 R HA 0.734 5.074 4.340 0.000 0.000 0.281 230 R C -1.424 174.458 176.300 -0.696 0.000 0.972 230 R CA -0.761 55.108 56.100 -0.386 0.000 0.912 230 R CB 1.528 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 0.570 120.519 119.950 -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 0.187 118.892 118.700 0.007 0.000 2.463 232 N HA 0.064 4.804 4.740 0.000 0.000 0.270 232 N C 0.406 175.780 175.510 -0.227 0.000 1.205 232 N CA -0.160 52.843 53.050 -0.078 0.000 0.974 232 N CB 0.632 39.096 38.487 -0.038 0.000 1.197 232 N HN 0.730 nan 8.380 nan 0.000 0.504 233 D N -0.599 119.700 120.400 -0.167 0.000 2.254 233 D HA -0.272 4.368 4.640 0.000 0.000 0.201 233 D C 0.373 176.535 176.300 -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 -1.949 118.357 120.400 -0.157 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 -0.819 53.203 54.000 0.036 0.000 0.832 234 D CB -1.045 39.804 40.800 0.083 0.000 1.008 234 D HN 0.215 nan 8.370 nan 0.000 0.506 235 F N 0.465 120.470 119.950 0.091 0.000 2.988 235 F HA -0.283 4.244 4.527 0.000 0.000 0.287 235 F C 1.650 177.522 175.800 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 0.183 4.653 4.470 0.000 0.000 0.219 236 S C 0.646 175.300 174.600 0.090 0.000 0.985 236 S CA 0.063 58.337 58.200 0.123 0.000 0.914 236 S CB 0.386 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 0.456 121.018 120.500 0.103 0.000 2.566 237 R HA 0.790 5.130 4.340 0.000 0.000 0.271 237 R C -1.226 175.097 176.300 0.037 0.000 1.071 237 R CA -0.289 55.835 56.100 0.040 0.000 0.915 237 R CB 1.255 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 1.335 124.117 122.820 -0.063 0.000 2.435 238 A HA 0.828 5.148 4.320 0.000 0.000 0.296 238 A C -1.057 176.433 177.584 -0.156 0.000 1.147 238 A CA -0.789 51.125 52.037 -0.206 0.000 0.775 238 A CB 2.156 21.012 19.000 -0.240 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 -0.199 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 -0.447 61.784 62.300 -0.115 0.000 0.856 239 V CB 1.346 33.103 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 -0.027 176.807 176.870 -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 4.844 125.001 120.200 -0.070 0.000 2.218 241 E HA 0.760 5.110 4.350 0.000 0.000 0.263 241 E C -1.777 174.809 176.600 -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 -0.889 176.687 177.584 -0.013 0.000 1.104 242 A CA -0.733 51.315 52.037 0.017 0.000 0.768 242 A CB 1.371 20.391 19.000 0.034 0.000 1.213 242 A HN 0.775 nan 8.150 nan 0.000 0.456 243 E N 2.209 122.400 120.200 -0.016 0.000 2.187 243 E HA 0.615 4.965 4.350 0.000 0.000 0.268 243 E C -1.670 174.858 176.600 -0.120 0.000 0.896 243 E CA -0.528 55.819 56.400 -0.088 0.000 0.766 243 E CB 1.693 31.335 29.700 -0.097 0.000 1.142 243 E HN 0.382 nan 8.360 nan 0.000 0.408 244 V N 3.980 123.829 119.914 -0.108 0.000 2.604 244 V HA 0.356 4.476 4.120 0.000 0.000 0.305 244 V C -0.575 175.525 176.094 0.011 0.000 1.043 244 V CA -0.827 61.441 62.300 -0.052 0.000 0.888 244 V CB 1.695 33.459 31.823 -0.097 0.000 0.995 244 V HN 0.748 nan 8.190 nan 0.000 0.429 245 Q N 4.171 124.013 119.800 0.069 0.000 2.365 245 Q HA 0.833 5.173 4.340 0.000 0.000 0.269 245 Q C -0.829 175.257 176.000 0.142 0.000 1.061 245 Q CA -0.823 55.057 55.803 0.129 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 -0.154 0.000 1.204 246 M CA -0.505 54.739 55.300 -0.094 0.000 0.891 246 M CB 2.115 34.482 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 -0.175 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 -0.483 44.529 45.100 -0.147 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 0.340 176.826 176.600 -0.190 0.000 1.031 249 E CA -0.400 55.921 56.400 -0.131 0.000 0.824 249 E CB 0.602 30.252 29.700 -0.084 0.000 1.076 249 E HN 0.523 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 0.116 54.813 54.840 -0.239 0.000 0.863 250 L CB 0.212 42.148 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 0.140 4.480 4.340 0.000 0.000 0.274 251 R C -0.069 176.038 176.300 -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 0.686 nan 8.270 nan 0.000 0.455 252 D N 1.386 121.732 120.400 -0.090 0.000 2.384 252 D HA -0.158 4.482 4.640 0.000 0.000 0.222 252 D C 0.860 177.179 176.300 0.032 0.000 0.976 252 D CA 1.167 55.164 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 -0.601 119.699 120.300 0.001 0.000 2.468 253 Y HA 0.393 4.943 4.550 0.000 0.000 0.268 253 Y C 0.858 176.754 175.900 -0.006 0.000 1.177 253 Y CA -0.948 57.154 58.100 0.003 0.000 1.265 253 Y CB -0.277 38.186 38.460 0.006 0.000 1.103 253 Y HN -0.236 nan 8.280 nan 0.000 0.522 254 L N 2.932 123.945 121.223 -0.349 0.000 2.397 254 L HA 0.392 4.732 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 -0.188 54.511 54.840 -0.235 0.000 0.825 254 L CB 0.624 42.543 42.059 -0.234 0.000 1.117 254 L HN 0.242 nan 8.230 nan 0.000 0.456 255 R N 2.039 122.382 120.500 -0.261 0.000 2.799 255 R HA 0.761 5.101 4.340 0.000 0.000 0.270 255 R C -1.504 174.489 176.300 -0.512 0.000 1.010 255 R CA -0.839 55.026 56.100 -0.391 0.000 0.916 255 R CB 2.370 32.389 30.300 -0.468 0.000 1.228 255 R HN 0.288 nan 8.270 nan 0.000 0.469 256 V N 0.660 120.373 119.914 -0.335 0.000 2.760 256 V HA 0.517 4.638 4.120 0.000 0.000 0.309 256 V C -0.612 175.472 176.094 -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 34.039 31.823 -0.322 0.000 1.008 256 V HN 0.783 nan 8.190 nan 0.000 0.424 257 T N 3.437 118.052 114.554 0.102 0.000 2.881 257 T HA 0.671 5.021 4.350 0.000 0.000 0.290 257 T C -0.851 173.860 174.700 0.019 0.000 1.000 257 T CA -0.491 61.663 62.100 0.089 0.000 0.978 257 T CB 1.863 70.820 68.868 0.147 0.000 0.997 257 T HN 0.370 nan 8.240 nan 0.000 0.443 258 V N 3.299 123.207 119.914 -0.009 0.000 2.531 258 V HA 0.695 4.815 4.120 0.000 0.000 0.301 258 V C -0.336 175.750 176.094 -0.013 0.000 1.034 258 V CA -0.839 61.453 62.300 -0.015 0.000 0.865 258 V CB 1.810 33.612 31.823 -0.034 0.000 0.995 258 V HN 1.065 nan 8.190 nan 0.000 0.424 259 S N 5.199 120.914 115.700 0.025 0.000 2.526 259 S HA 0.841 5.311 4.470 0.000 0.000 0.293 259 S C -1.070 173.532 174.600 0.004 0.000 1.092 259 S CA -0.747 57.431 58.200 -0.036 0.000 0.980 259 S CB 2.320 65.543 63.200 0.040 0.000 1.048 259 S HN 0.459 nan 8.310 nan 0.000 0.483 260 L N 2.228 123.341 121.223 -0.183 0.000 2.322 260 L HA 0.747 5.087 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 -0.439 54.377 54.840 -0.040 0.000 0.815 260 L CB 0.733 42.783 42.059 -0.015 0.000 1.247 260 L HN 0.881 nan 8.230 nan 0.000 0.421 261 W N 3.083 124.483 121.300 0.166 0.000 2.819 261 W HA 0.559 5.219 4.660 0.000 0.000 0.337 261 W C -0.553 176.097 176.519 0.220 0.000 1.077 261 W CA -0.585 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 2.421 122.461 119.800 0.401 0.000 2.721 262 Q HA 0.490 4.830 4.340 0.000 0.000 0.257 262 Q C 0.733 176.816 176.000 0.139 0.000 1.070 262 Q CA 0.638 56.532 55.803 0.152 0.000 0.910 262 Q CB 0.318 29.108 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 0.779 175.753 174.900 0.124 0.000 1.186 263 G CA 0.404 45.548 45.100 0.074 0.000 0.965 263 G HN 0.519 nan 8.290 nan 0.000 0.548 264 E N 1.376 121.650 120.200 0.123 0.000 2.230 264 E HA 0.193 4.543 4.350 0.000 0.000 0.192 264 E C 1.504 178.312 176.600 0.345 0.000 0.987 264 E CA 1.032 57.521 56.400 0.149 0.000 0.841 264 E CB -0.307 29.444 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 0.043 174.861 174.700 0.196 0.000 0.980 265 T CA -0.366 61.887 62.100 0.256 0.000 1.091 265 T CB 1.450 70.385 68.868 0.110 0.000 0.936 265 T HN -0.061 nan 8.240 nan 0.000 0.503 266 Q N 2.756 122.400 119.800 -0.261 0.000 2.322 266 Q HA 0.285 4.625 4.340 0.000 0.000 0.256 266 Q C 0.446 176.177 176.000 -0.449 0.000 0.960 266 Q CA -0.449 54.760 55.803 -0.990 0.000 0.934 266 Q CB 0.922 28.684 28.738 -1.627 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 0.380 4.500 4.120 0.000 0.000 0.246 267 V C 0.506 176.494 176.094 -0.176 0.000 1.068 267 V CA 0.811 63.019 62.300 -0.152 0.000 1.088 267 V CB -0.191 31.629 31.823 -0.004 0.000 0.733 267 V HN 0.718 nan 8.190 nan 0.000 0.468 268 A N -1.113 121.559 122.820 -0.246 0.000 2.594 268 A HA 0.744 5.064 4.320 0.000 0.000 0.296 268 A C -0.809 176.652 177.584 -0.206 0.000 1.056 268 A CA -0.004 51.921 52.037 -0.187 0.000 0.693 268 A CB 1.663 20.590 19.000 -0.121 0.000 1.278 268 A HN 0.054 nan 8.150 nan 0.000 0.408 269 S N -0.953 114.656 115.700 -0.151 0.000 2.588 269 S HA 0.911 5.381 4.470 0.000 0.000 0.275 269 S C -0.412 174.143 174.600 -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 2.264 nan 8.310 nan 0.000 0.472 270 G N 1.162 109.929 108.800 -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 -0.361 44.713 45.100 -0.044 0.000 0.980 270 G HN 0.665 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 -0.198 174.482 174.700 -0.034 0.000 1.027 271 T CA 0.146 62.245 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 1.765 nan 8.240 nan 0.000 0.461 272 A N 3.146 125.923 122.820 -0.072 0.000 2.566 272 A HA 0.905 5.225 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 -1.385 50.591 52.037 -0.102 0.000 0.658 272 A CB 1.115 20.045 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 -0.739 176.493 177.300 -0.113 0.000 1.293 273 P CA -0.490 62.561 63.100 -0.080 0.000 0.897 273 P CB 0.514 32.209 31.700 -0.009 0.000 1.166 274 F N 0.608 120.509 119.950 -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 -0.268 38.689 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 44.390 45.100 0.119 0.000 1.013 275 G HN 1.060 nan 8.290 nan 0.000 0.530 276 G N 0.655 109.512 108.800 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 0.074 175.006 174.900 0.054 0.000 1.310 276 G CA -0.332 44.816 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 1.612 122.190 120.570 0.013 0.000 2.710 278 I HA -0.054 4.116 4.170 0.000 0.000 0.286 278 I C 1.036 177.158 176.117 0.009 0.000 1.181 278 I CA 0.683 61.984 61.300 0.001 0.000 1.430 278 I CB 0.191 38.188 38.000 -0.006 0.000 1.367 278 I HN 0.651 nan 8.210 nan 0.000 0.577 279 I N 0.894 121.462 120.570 -0.003 0.000 4.244 279 I HA 0.426 4.596 4.170 0.000 0.000 0.318 279 I C -0.177 175.939 176.117 -0.003 0.000 1.282 279 I CA 0.172 61.480 61.300 0.014 0.000 1.276 279 I CB 0.357 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 -0.371 120.015 120.400 -0.024 0.000 2.946 280 D HA 0.189 4.829 4.640 0.000 0.000 0.337 280 D C 0.371 176.655 176.300 -0.027 0.000 1.332 280 D CA -0.460 53.527 54.000 -0.021 0.000 0.935 280 D CB 0.341 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 -0.872 119.314 120.200 -0.023 0.000 2.209 281 E HA -0.080 4.270 4.350 0.000 0.000 0.196 281 E C 1.521 178.102 176.600 -0.031 0.000 0.993 281 E CA 1.130 57.516 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 -0.414 120.058 120.500 -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 0.767 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 -0.394 174.448 174.900 -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 -0.107 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 -1.610 173.154 174.900 -0.226 0.000 1.320 284 G CA -0.746 44.283 45.100 -0.117 0.000 0.982 284 G HN 0.734 nan 8.290 nan 0.000 0.575 285 Y N 0.834 121.148 120.300 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 1.857 40.343 38.460 0.044 0.000 1.138 285 Y HN 0.535 nan 8.280 nan 0.000 0.510 286 A N 1.829 124.734 122.820 0.142 0.000 1.968 286 A HA -0.136 4.184 4.320 0.000 0.000 0.217 286 A C 1.323 179.004 177.584 0.162 0.000 1.169 286 A CA 1.469 53.572 52.037 0.111 0.000 0.638 286 A CB -0.242 18.780 19.000 0.036 0.000 0.812 286 A HN 0.788 nan 8.150 nan 0.000 0.446 287 D N -0.600 119.900 120.400 0.168 0.000 2.460 287 D HA 0.168 4.808 4.640 0.000 0.000 0.229 287 D C 0.387 176.902 176.300 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 -0.995 119.777 120.500 0.454 0.000 2.817 288 R HA 0.762 5.102 4.340 0.000 0.000 0.268 288 R C -1.596 174.763 176.300 0.098 0.000 1.027 288 R CA -1.181 55.089 56.100 0.284 0.000 0.928 288 R CB 2.870 33.214 30.300 0.074 0.000 1.228 288 R HN -0.014 nan 8.270 nan 0.000 0.469 289 V N 0.119 119.957 119.914 -0.125 0.000 3.077 289 V HA 0.501 4.621 4.120 0.000 0.000 0.299 289 V C -1.677 174.312 176.094 -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 6.916 121.396 114.554 -0.123 0.000 2.841 290 T HA 0.744 5.094 4.350 0.000 0.000 0.285 290 T C -1.055 173.594 174.700 -0.084 0.000 0.991 290 T CA -0.269 61.777 62.100 -0.089 0.000 0.966 290 T CB 1.225 70.062 68.868 -0.051 0.000 0.962 290 T HN 0.482 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 0.384 177.223 176.870 -0.052 0.000 1.013 291 L CA -0.707 54.093 54.840 -0.068 0.000 0.816 291 L CB 1.301 43.316 42.059 -0.074 0.000 1.287 291 L HN 0.396 nan 8.230 nan 0.000 0.435 292 R N 2.735 123.204 120.500 -0.050 0.000 2.435 292 R HA 0.634 4.974 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 1.360 31.632 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 -0.048 0.000 0.810 293 L CB 1.424 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 2.018 120.683 118.700 -0.059 0.000 2.473 294 N HA 0.481 5.221 4.740 0.000 0.000 0.291 294 N C -0.986 174.474 175.510 -0.083 0.000 1.083 294 N CA -0.337 52.674 53.050 -0.066 0.000 0.951 294 N CB 2.898 41.350 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 61.353 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 3.626 123.769 120.200 -0.095 0.000 2.301 296 E HA 0.292 4.642 4.350 0.000 0.000 0.275 296 E C -0.017 176.553 176.600 -0.050 0.000 1.030 296 E CA -0.351 56.016 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 1.312 120.002 118.700 -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 0.110 177.415 177.300 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 -0.599 0.000 0.923 299 K N 1.397 121.889 120.400 0.153 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 0.263 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 2.715 124.013 121.223 0.126 0.000 2.395 300 L HA 0.347 4.687 4.340 0.000 0.000 0.269 300 L C -0.068 176.879 176.870 0.127 0.000 1.133 300 L CA -0.726 54.193 54.840 0.132 0.000 0.812 300 L CB 0.499 42.476 42.059 -0.138 0.000 1.125 300 L HN 0.619 nan 8.230 nan 0.000 0.452 301 W N 3.095 124.421 121.300 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 57.457 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 2.879 117.881 115.700 -1.163 0.000 2.595 302 S HA 0.561 5.031 4.470 0.000 0.000 0.270 302 S C 0.027 173.840 174.600 -1.312 0.000 1.145 302 S CA -0.344 57.290 58.200 -0.944 0.000 0.825 302 S CB 0.899 63.813 63.200 -0.476 0.000 1.107 302 S HN 1.146 nan 8.310 nan 0.000 0.461 303 A N 0.800 123.055 122.820 -0.943 0.000 2.019 303 A HA 0.031 4.351 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 1.684 53.150 52.037 -0.952 0.000 0.644 303 A CB -1.027 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 -0.866 119.146 120.200 -0.312 0.000 2.072 304 E HA -0.003 4.347 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 -0.028 29.680 29.700 0.014 0.000 0.750 304 E HN 0.620 nan 8.360 nan 0.000 0.452 305 I N 0.914 121.276 120.570 -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 -1.888 59.229 61.300 -0.305 0.000 1.076 305 I CB 2.252 40.130 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 -0.497 176.775 177.300 -0.047 0.000 1.756 306 P CA -0.140 62.617 63.100 -0.571 0.000 0.990 306 P CB -0.371 31.225 31.700 -0.174 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 0.104 175.816 175.510 0.336 0.000 1.226 307 N CA 0.441 53.561 53.050 0.116 0.000 0.906 307 N CB 0.746 39.288 38.487 0.092 0.000 1.060 307 N HN 0.256 nan 8.380 nan 0.000 0.468 308 L N 2.196 123.529 121.223 0.185 0.000 2.323 308 L HA 0.527 4.867 4.340 0.000 0.000 0.265 308 L C -0.844 176.085 176.870 0.099 0.000 1.012 308 L CA -0.873 54.111 54.840 0.240 0.000 0.820 308 L CB 1.214 43.389 42.059 0.193 0.000 1.334 308 L HN 0.408 nan 8.230 nan 0.000 0.427 309 Y N -0.156 120.271 120.300 0.213 0.000 2.605 309 Y HA 0.579 5.129 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 -0.800 57.433 58.100 0.221 0.000 1.065 309 Y CB 2.111 40.757 38.460 0.310 0.000 1.288 309 Y HN 0.377 nan 8.280 nan 0.000 0.481 310 R N 1.135 121.867 120.500 0.387 0.000 2.562 310 R HA 0.876 5.216 4.340 0.000 0.000 0.298 310 R C -1.535 174.955 176.300 0.316 0.000 0.961 310 R CA -0.679 55.581 56.100 0.266 0.000 0.881 310 R CB 1.206 31.584 30.300 0.129 0.000 1.159 310 R HN 0.799 nan 8.270 nan 0.000 0.450 311 A N 3.545 126.493 122.820 0.214 0.000 2.355 311 A HA 0.617 4.937 4.320 0.000 0.000 0.317 311 A C -1.197 176.459 177.584 0.120 0.000 1.094 311 A CA -0.655 51.500 52.037 0.196 0.000 0.764 311 A CB 1.599 20.692 19.000 0.156 0.000 1.230 311 A HN 0.447 nan 8.150 nan 0.000 0.448 312 V N 2.023 122.013 119.914 0.126 0.000 2.487 312 V HA 0.517 4.637 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 1.443 33.290 31.823 0.041 0.000 0.991 312 V HN 0.597 nan 8.190 nan 0.000 0.427 313 V N 4.808 124.645 119.914 -0.128 0.000 2.313 313 V HA 0.433 4.553 4.120 0.000 0.000 0.278 313 V C -0.031 176.008 176.094 -0.092 0.000 1.017 313 V CA -0.483 61.713 62.300 -0.174 0.000 0.823 313 V CB 1.009 32.575 31.823 -0.428 0.000 1.010 313 V HN 1.039 nan 8.190 nan 0.000 0.443 314 E N 5.048 125.245 120.200 -0.006 0.000 2.165 314 E HA 0.565 4.915 4.350 0.000 0.000 0.266 314 E C -1.067 175.637 176.600 0.173 0.000 0.889 314 E CA -1.055 55.392 56.400 0.079 0.000 0.756 314 E CB 2.711 32.466 29.700 0.091 0.000 1.131 314 E HN 0.406 nan 8.360 nan 0.000 0.411 315 L N 5.447 126.736 121.223 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 0.057 54.931 54.840 0.056 0.000 0.816 315 L CB -0.231 41.833 42.059 0.009 0.000 1.197 315 L HN 0.699 nan 8.230 nan 0.000 0.427 316 H N 1.169 120.256 119.070 0.028 0.000 2.942 316 H HA 0.611 5.167 4.556 0.000 0.000 0.316 316 H C -0.911 174.452 175.328 0.059 0.000 1.323 316 H CA -0.328 55.743 56.048 0.038 0.000 1.144 316 H CB 0.887 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 -2.856 111.826 114.554 0.213 0.000 2.881 317 T HA 0.533 4.883 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 1.386 70.445 68.868 0.319 0.000 1.058 317 T HN 0.777 nan 8.240 nan 0.000 0.529 318 A N 1.033 123.994 122.820 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 54.244 52.037 0.191 0.000 0.631 318 A CB -1.424 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 -2.460 118.025 120.400 0.142 0.000 2.178 319 D HA 0.207 4.847 4.640 0.000 0.000 0.201 319 D C 1.263 177.615 176.300 0.086 0.000 0.980 319 D CA 1.482 55.535 54.000 0.088 0.000 0.842 319 D CB -0.259 40.573 40.800 0.055 0.000 0.948 319 D HN 0.805 nan 8.370 nan 0.000 0.472 320 G N -1.475 107.405 108.800 0.132 0.000 2.227 320 G HA2 -0.185 3.775 3.960 0.000 0.000 0.168 320 G HA3 -0.185 3.775 3.960 0.000 0.000 0.168 320 G C 0.194 175.130 174.900 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 0.247 175.033 174.700 0.144 0.000 0.956 321 T CA 0.008 62.169 62.100 0.102 0.000 1.123 321 T CB 1.566 70.490 68.868 0.094 0.000 0.902 321 T HN 0.604 nan 8.240 nan 0.000 0.528 322 L N 4.979 126.261 121.223 0.099 0.000 2.331 322 L HA 0.341 4.681 4.340 0.000 0.000 0.278 322 L C 0.585 177.513 176.870 0.097 0.000 1.106 322 L CA 0.130 55.040 54.840 0.118 0.000 0.824 322 L CB 0.325 42.423 42.059 0.065 0.000 1.142 322 L HN 0.543 nan 8.230 nan 0.000 0.443 323 I N 3.119 123.747 120.570 0.096 0.000 2.494 323 I HA 0.158 4.328 4.170 0.000 0.000 0.250 323 I C 0.624 176.753 176.117 0.021 0.000 1.112 323 I CA 0.930 62.256 61.300 0.044 0.000 1.438 323 I CB -0.300 37.708 38.000 0.013 0.000 1.111 323 I HN 0.869 nan 8.210 nan 0.000 0.431 324 E N -0.731 119.487 120.200 0.030 0.000 2.411 324 E HA 0.682 5.032 4.350 0.000 0.000 0.279 324 E C -1.622 175.003 176.600 0.043 0.000 1.132 324 E CA -1.037 55.377 56.400 0.024 0.000 0.876 324 E CB 0.948 30.624 29.700 -0.040 0.000 1.335 324 E HN -0.071 nan 8.360 nan 0.000 0.436 325 A N 0.918 123.792 122.820 0.090 0.000 2.539 325 A HA 0.755 5.075 4.320 0.000 0.000 0.296 325 A C -1.270 176.441 177.584 0.212 0.000 1.073 325 A CA -0.695 51.403 52.037 0.100 0.000 0.700 325 A CB 1.971 21.018 19.000 0.079 0.000 1.296 325 A HN 0.495 nan 8.150 nan 0.000 0.405 326 E N -0.534 119.721 120.200 0.091 0.000 2.393 326 E HA 0.783 5.133 4.350 0.000 0.000 0.273 326 E C -0.625 175.991 176.600 0.026 0.000 0.918 326 E CA -0.473 56.039 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 1.189 nan 8.360 nan 0.000 0.451 327 A N 0.175 123.125 122.820 0.217 0.000 2.588 327 A HA 0.862 5.182 4.320 0.000 0.000 0.290 327 A C -1.157 176.606 177.584 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 -0.788 118.646 119.300 0.223 0.000 3.303 328 C HA 0.688 5.148 4.460 0.000 0.000 0.340 328 C C -1.629 173.442 174.990 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 0.967 121.424 120.400 0.096 0.000 2.302 329 D HA 0.542 5.182 4.640 0.000 0.000 0.248 329 D C -0.475 175.858 176.300 0.057 0.000 1.094 329 D CA 0.138 54.195 54.000 0.096 0.000 0.897 329 D CB 2.113 42.970 40.800 0.095 0.000 1.200 329 D HN 0.521 nan 8.370 nan 0.000 0.429 330 V N 0.750 120.727 119.914 0.105 0.000 2.656 330 V HA 0.649 4.769 4.120 0.000 0.000 0.307 330 V C 0.379 176.520 176.094 0.078 0.000 1.051 330 V CA -0.698 61.612 62.300 0.016 0.000 0.893 330 V CB 2.184 34.000 31.823 -0.012 0.000 0.999 330 V HN 0.667 nan 8.190 nan 0.000 0.426 331 G N 2.763 111.498 108.800 -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 -1.258 173.631 174.900 -0.017 0.000 1.369 331 G CA -0.407 44.704 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 0.562 5.089 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 1.094 40.344 39.000 0.417 0.000 1.146 332 F HN 0.534 nan 8.300 nan 0.000 0.514 333 R N 1.235 122.023 120.500 0.480 0.000 2.664 333 R HA 0.482 4.822 4.340 0.000 0.000 0.266 333 R C -1.721 174.721 176.300 0.237 0.000 1.046 333 R CA -1.113 55.120 56.100 0.221 0.000 0.885 333 R CB 1.537 31.988 30.300 0.252 0.000 1.254 333 R HN 0.466 nan 8.270 nan 0.000 0.465 334 E N 2.021 122.265 120.200 0.072 0.000 2.199 334 E HA 0.461 4.811 4.350 0.000 0.000 0.265 334 E C -1.353 175.309 176.600 0.103 0.000 0.882 334 E CA -0.985 55.518 56.400 0.173 0.000 0.759 334 E CB 2.117 31.968 29.700 0.252 0.000 1.148 334 E HN 0.419 nan 8.360 nan 0.000 0.412 335 V N 5.529 125.502 119.914 0.099 0.000 2.384 335 V HA 0.563 4.683 4.120 0.000 0.000 0.287 335 V C -0.211 175.919 176.094 0.060 0.000 1.020 335 V CA -0.530 61.802 62.300 0.054 0.000 0.850 335 V CB 1.126 32.961 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 -2.007 174.316 176.300 0.038 0.000 1.026 336 R CA -0.869 55.263 56.100 0.054 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 1.966 122.558 120.570 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 -0.279 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 6.438 126.653 120.200 0.025 0.000 2.263 338 E HA 0.232 4.582 4.350 0.000 0.000 0.268 338 E C -0.247 176.364 176.600 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 0.470 175.984 175.510 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 -2.204 106.601 108.800 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 -0.017 121.202 121.223 -0.007 0.000 2.362 341 L HA 0.740 5.080 4.340 0.000 0.000 0.271 341 L C -0.049 176.811 176.870 -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 3.983 125.185 121.223 -0.035 0.000 2.278 342 L HA 0.501 4.841 4.340 0.000 0.000 0.287 342 L C -0.913 175.934 176.870 -0.038 0.000 1.072 342 L CA 0.325 55.144 54.840 -0.035 0.000 0.819 342 L CB 0.477 42.503 42.059 -0.056 0.000 1.176 342 L HN 0.389 nan 8.230 nan 0.000 0.435 343 L N 5.943 127.158 121.223 -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 0.010 0.000 1.008 343 L CA -0.759 54.082 54.840 0.003 0.000 0.818 343 L CB 1.988 44.071 42.059 0.038 0.000 1.296 343 L HN 0.575 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 0.974 43.050 42.059 0.028 0.000 1.236 344 L HN 0.659 nan 8.230 nan 0.000 0.410 345 N N 4.111 122.759 118.700 -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 -1.071 37.013 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 0.020 174.970 174.900 0.084 0.000 1.021 346 G CA 0.671 45.859 45.100 0.146 0.000 0.619 346 G HN 0.478 nan 8.290 nan 0.000 0.510 347 K N 1.232 121.671 120.400 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 -2.009 54.271 56.287 -0.011 0.000 0.890 347 K CB 2.210 34.628 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 -0.238 177.003 177.300 -0.097 0.000 1.331 348 P CA -0.376 62.684 63.100 -0.067 0.000 0.803 348 P CB 0.685 32.348 31.700 -0.063 0.000 0.929 349 L N 3.409 124.568 121.223 -0.106 0.000 2.466 349 L HA 0.347 4.687 4.340 0.000 0.000 0.257 349 L C 0.466 177.257 176.870 -0.132 0.000 1.189 349 L CA -0.616 54.148 54.840 -0.126 0.000 0.813 349 L CB 0.427 42.377 42.059 -0.183 0.000 1.118 349 L HN 0.234 nan 8.230 nan 0.000 0.471 350 L N 3.112 124.270 121.223 -0.108 0.000 2.485 350 L HA 0.398 4.738 4.340 0.000 0.000 0.260 350 L C -0.606 176.210 176.870 -0.090 0.000 0.998 350 L CA -0.269 54.494 54.840 -0.128 0.000 0.883 350 L CB 0.867 42.882 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 0.148 4.318 4.170 0.000 0.000 0.287 351 I C 0.646 176.693 176.117 -0.115 0.000 1.104 351 I CA 0.313 61.498 61.300 -0.190 0.000 1.387 351 I CB 0.290 38.052 38.000 -0.397 0.000 1.404 351 I HN 0.532 nan 8.210 nan 0.000 0.528 352 R N 4.788 125.301 120.500 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 55.882 56.100 0.078 0.000 1.516 352 R CB 0.816 31.030 30.300 -0.142 0.000 1.187 352 R HN 0.782 nan 8.270 nan 0.000 0.609 353 G N 0.017 108.842 108.800 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 44.644 45.100 0.087 0.000 0.989 353 G HN 0.228 nan 8.290 nan 0.000 0.490 354 V N -0.239 120.011 119.914 0.560 0.000 3.048 354 V HA 0.482 4.602 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 -1.193 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 3.876 122.636 118.700 0.101 0.000 2.498 355 N HA 0.552 5.292 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 -0.438 52.538 53.050 -0.123 0.000 0.973 355 N CB 1.798 40.220 38.487 -0.108 0.000 1.153 355 N HN 0.686 nan 8.380 nan 0.000 0.472 356 R N 1.591 121.864 120.500 -0.377 0.000 2.522 356 R HA 0.246 4.586 4.340 0.000 0.000 0.283 356 R C -1.195 174.868 176.300 -0.395 0.000 1.074 356 R CA -0.553 55.346 56.100 -0.335 0.000 0.925 356 R CB 1.018 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 2.003 120.945 119.070 -0.215 0.000 2.495 357 H HA 0.185 4.741 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 -0.215 55.789 56.048 -0.074 0.000 1.322 357 H CB 1.643 31.413 29.762 0.014 0.000 1.544 357 H HN 0.567 nan 8.280 nan 0.000 0.565 358 E N 1.634 122.028 120.200 0.324 0.000 1.963 358 E HA 0.112 4.462 4.350 0.000 0.000 0.274 358 E C -0.773 175.964 176.600 0.228 0.000 1.061 358 E CA -0.033 56.469 56.400 0.170 0.000 0.847 358 E CB 0.224 30.024 29.700 0.166 0.000 1.083 358 E HN 0.390 nan 8.360 nan 0.000 0.402 359 H N 1.562 120.681 119.070 0.082 0.000 2.947 359 H HA 0.235 4.791 4.556 0.000 0.000 0.354 359 H C -1.661 173.703 175.328 0.060 0.000 1.085 359 H CA -0.693 55.396 56.048 0.069 0.000 1.253 359 H CB 1.082 30.879 29.762 0.058 0.000 1.757 359 H HN 0.367 nan 8.280 nan 0.000 0.523 360 H N 6.502 125.198 119.070 -0.624 0.000 2.744 360 H HA 0.202 4.758 4.556 0.000 0.000 0.339 360 H C -2.224 172.660 175.328 -0.741 0.000 1.004 360 H CA -2.452 53.289 56.048 -0.511 0.000 1.257 360 H CB 2.493 32.089 29.762 -0.277 0.000 1.552 360 H HN 0.563 nan 8.280 nan 0.000 0.522 361 P HA -0.136 nan 4.420 nan 0.000 0.218 361 P C 1.208 178.379 177.300 -0.215 0.000 1.146 361 P CA 1.012 63.894 63.100 -0.365 0.000 0.813 361 P CB 0.750 32.264 31.700 -0.309 0.000 0.778 362 L N -2.128 119.105 121.223 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 0.616 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 -0.052 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 0.306 29.799 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 -0.134 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 0.498 175.311 174.900 -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 0.117 119.842 119.800 -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 0.765 29.352 28.738 -0.252 0.000 1.054 365 Q HN 0.384 nan 8.270 nan 0.000 0.482 366 V N 1.826 121.777 119.914 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 -0.204 62.154 62.300 0.096 0.000 0.925 366 V CB 1.035 32.870 31.823 0.019 0.000 0.985 366 V HN 0.325 nan 8.190 nan 0.000 0.466 367 M N 4.414 124.045 119.600 0.053 0.000 2.528 367 M HA 0.581 5.061 4.480 0.000 0.000 0.318 367 M C -0.563 175.680 176.300 -0.095 0.000 1.195 367 M CA -0.546 54.743 55.300 -0.018 0.000 1.000 367 M CB 1.654 34.210 32.600 -0.073 0.000 1.615 367 M HN 0.965 nan 8.290 nan 0.000 0.469 368 D N -2.123 118.236 120.400 -0.070 0.000 2.655 368 D HA 0.235 4.875 4.640 0.000 0.000 0.229 368 D C 0.249 176.540 176.300 -0.014 0.000 1.229 368 D CA -0.701 53.261 54.000 -0.063 0.000 0.807 368 D CB 1.421 42.219 40.800 -0.004 0.000 1.514 368 D HN 0.674 nan 8.370 nan 0.000 0.444 369 E N 0.313 120.514 120.200 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 2.173 58.611 56.400 0.063 0.000 0.869 369 E CB 0.024 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 -0.653 119.198 119.800 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 1.187 115.812 114.554 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 1.775 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 -0.183 4.297 4.480 0.000 0.000 0.256 372 M C 2.494 178.923 176.300 0.215 0.000 1.072 372 M CA 1.719 57.174 55.300 0.259 0.000 1.090 372 M CB -1.014 31.769 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 2.302 178.396 176.094 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 30.882 31.823 0.041 0.000 0.658 373 V HN 0.545 nan 8.190 nan 0.000 0.455 374 Q N -0.269 119.576 119.800 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 2.267 58.127 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 0.244 120.747 120.400 0.172 0.000 2.106 375 D HA -0.198 4.442 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 1.281 55.391 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 0.331 nan 8.370 nan 0.000 0.448 376 I N 0.603 121.133 120.570 -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 -0.361 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 0.210 121.345 121.223 -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 1.368 56.204 54.840 -0.008 0.000 0.749 377 L CB -0.600 41.474 42.059 0.026 0.000 0.893 377 L HN 0.298 nan 8.230 nan 0.000 0.432 378 L N -0.926 120.385 121.223 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 -0.559 119.058 119.600 0.028 0.000 2.082 379 M HA -0.281 4.199 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 1.883 57.131 55.300 -0.087 0.000 1.103 379 M CB -0.558 31.779 32.600 -0.439 0.000 1.307 379 M HN 0.129 nan 8.290 nan 0.000 0.409 380 K N 0.239 120.611 120.400 -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 -0.033 0.000 1.048 380 K CA 1.653 57.807 56.287 -0.221 0.000 0.926 380 K CB -0.346 31.820 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 -0.052 4.288 4.340 0.000 0.000 0.205 381 Q C 0.859 177.145 176.000 0.476 0.000 0.970 381 Q CA 0.736 56.801 55.803 0.437 0.000 0.876 381 Q CB 0.064 29.028 28.738 0.376 0.000 0.935 381 Q HN 0.304 nan 8.270 nan 0.000 0.455 382 N N 0.846 119.795 118.700 0.415 0.000 2.320 382 N HA 0.053 4.793 4.740 0.000 0.000 0.237 382 N C -0.686 174.972 175.510 0.246 0.000 1.129 382 N CA -0.011 53.286 53.050 0.411 0.000 0.854 382 N CB 0.618 39.416 38.487 0.517 0.000 1.083 382 N HN 0.166 nan 8.380 nan 0.000 0.504 383 N N 0.191 119.021 118.700 0.216 0.000 2.776 383 N HA -0.178 4.562 4.740 0.000 0.000 0.249 383 N C -0.880 174.544 175.510 -0.144 0.000 1.111 383 N CA 0.841 53.930 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 0.988 120.953 119.950 0.024 0.000 2.399 384 F HA 0.386 4.913 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 0.918 39.896 39.000 -0.038 0.000 1.209 384 F HN 0.048 nan 8.300 nan 0.000 0.502 385 N N 0.291 119.116 118.700 0.208 0.000 2.118 385 N HA 0.435 5.175 4.740 0.000 0.000 0.226 385 N C -0.885 174.693 175.510 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 39.328 38.487 0.164 0.000 1.118 385 N HN 0.485 nan 8.380 nan 0.000 0.511 386 A N -0.437 122.512 122.820 0.216 0.000 2.606 386 A HA 0.783 5.103 4.320 0.000 0.000 0.293 386 A C -1.708 176.101 177.584 0.376 0.000 1.082 386 A CA -0.595 51.627 52.037 0.309 0.000 0.685 386 A CB 1.726 20.958 19.000 0.385 0.000 1.284 386 A HN 0.375 nan 8.150 nan 0.000 0.408 387 V N 0.693 120.862 119.914 0.426 0.000 3.012 387 V HA 0.836 4.956 4.120 0.000 0.000 0.307 387 V C -0.930 175.271 176.094 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 4.486 124.936 120.500 -0.083 0.000 2.387 388 R HA 0.511 4.851 4.340 0.000 0.000 0.314 388 R C -0.833 175.316 176.300 -0.252 0.000 0.958 388 R CA -0.484 55.410 56.100 -0.344 0.000 0.846 388 R CB 1.223 31.057 30.300 -0.776 0.000 1.147 388 R HN 0.858 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 0.106 4.566 4.460 0.000 0.000 0.545 389 C C 0.549 175.242 174.990 -0.495 0.000 1.044 389 C CA -0.468 58.380 59.018 -0.283 0.000 1.117 389 C CB -2.135 25.546 27.740 -0.098 0.000 1.393 389 C HN 0.689 nan 8.230 nan 0.000 0.611 390 S N 1.495 116.775 115.700 -0.700 0.000 2.465 390 S HA 0.187 4.657 4.470 0.000 0.000 0.280 390 S C -0.115 173.557 174.600 -1.547 0.000 1.232 390 S CA 0.110 57.593 58.200 -1.194 0.000 1.066 390 S CB 0.098 62.531 63.200 -1.277 0.000 0.929 390 S HN 0.739 nan 8.310 nan 0.000 0.494 391 H N 3.433 121.855 119.070 -1.081 0.000 2.597 391 H HA 0.297 4.853 4.556 0.000 0.000 0.225 391 H C -1.190 173.995 175.328 -0.239 0.000 1.422 391 H CA -0.360 55.446 56.048 -0.403 0.000 1.335 391 H CB -0.098 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 -2.695 117.705 120.300 0.167 0.000 2.774 392 Y HA 0.437 4.987 4.550 0.000 0.000 0.346 392 Y C -3.305 172.694 175.900 0.166 0.000 1.222 392 Y CA -3.038 55.167 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 -0.108 nan 8.280 nan 0.000 0.455 393 P HA 0.221 nan 4.420 nan 0.000 0.271 393 P C -0.757 176.836 177.300 0.488 0.000 1.218 393 P CA 0.054 63.412 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 0.155 119.155 118.700 0.500 0.000 2.491 394 N HA 0.111 4.851 4.740 0.000 0.000 0.279 394 N C 0.004 175.764 175.510 0.416 0.000 1.236 394 N CA -0.624 52.621 53.050 0.326 0.000 0.982 394 N CB 0.387 38.816 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 -1.119 55.047 56.048 0.197 0.000 1.460 395 H CB 0.912 30.741 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 1.881 179.496 177.300 0.525 0.000 1.158 396 P CA 1.020 64.338 63.100 0.363 0.000 0.895 396 P CB 0.154 31.871 31.700 0.028 0.000 0.792 397 L N -1.178 120.422 121.223 0.628 0.000 2.081 397 L HA -0.139 4.201 4.340 0.000 0.000 0.212 397 L C 2.414 179.532 176.870 0.414 0.000 1.080 397 L CA 1.668 56.818 54.840 0.518 0.000 0.754 397 L CB -1.429 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 -0.281 121.126 121.300 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 -0.145 0.000 1.272 398 W CA 2.270 59.569 57.345 -0.077 0.000 1.262 398 W CB -0.594 28.679 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 -0.038 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 2.255 60.088 58.100 -0.444 0.000 1.181 399 Y CB -1.470 36.429 38.460 -0.935 0.000 0.976 399 Y HN -0.143 nan 8.280 nan 0.000 0.520 400 T N 0.570 115.162 114.554 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 1.379 63.569 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 0.461 121.697 121.223 0.022 0.000 2.042 401 L HA -0.150 4.190 4.340 0.000 0.000 0.210 401 L C 2.908 179.777 176.870 -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 41.298 42.059 0.026 0.000 0.893 401 L HN 0.388 nan 8.230 nan 0.000 0.432 402 C N -0.344 118.785 119.300 -0.285 0.000 2.425 402 C HA -0.151 4.309 4.460 0.000 0.000 0.277 402 C C 2.446 177.450 174.990 0.022 0.000 1.280 402 C CA 0.389 59.252 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 0.420 120.835 120.400 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 0.254 0.000 0.992 403 D CA 1.313 55.390 54.000 0.129 0.000 0.833 403 D CB -0.322 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 -0.851 119.705 120.500 0.094 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 0.753 56.831 56.100 -0.035 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 -0.780 119.527 120.300 0.013 0.000 2.337 405 Y HA 0.129 4.679 4.550 0.000 0.000 0.293 405 Y C 0.955 176.781 175.900 -0.123 0.000 1.123 405 Y CA 0.932 59.009 58.100 -0.039 0.000 1.201 405 Y CB 0.567 38.972 38.460 -0.092 0.000 1.011 405 Y HN 0.260 nan 8.280 nan 0.000 0.545 406 G N 1.044 109.864 108.800 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 -1.161 173.567 174.900 -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 0.961 122.083 121.223 -0.168 0.000 2.464 407 L HA 0.467 4.807 4.340 0.000 0.000 0.266 407 L C -0.058 176.756 176.870 -0.093 0.000 0.965 407 L CA -1.220 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 0.438 nan 8.230 nan 0.000 0.405 408 Y N 2.067 122.465 120.300 0.164 0.000 2.359 408 Y HA 0.380 4.930 4.550 0.000 0.000 0.330 408 Y C 0.309 176.307 175.900 0.164 0.000 1.143 408 Y CA -0.567 57.657 58.100 0.206 0.000 1.318 408 Y CB 1.270 39.844 38.460 0.190 0.000 1.234 408 Y HN 0.163 nan 8.280 nan 0.000 0.522 409 V N 3.723 123.804 119.914 0.278 0.000 2.735 409 V HA 0.386 4.506 4.120 0.000 0.000 0.310 409 V C -0.738 175.422 176.094 0.110 0.000 1.061 409 V CA -1.046 61.358 62.300 0.174 0.000 0.913 409 V CB 2.107 33.990 31.823 0.099 0.000 1.005 409 V HN 0.454 nan 8.190 nan 0.000 0.428 410 V N 2.592 122.549 119.914 0.073 0.000 2.328 410 V HA 0.352 4.472 4.120 0.000 0.000 0.278 410 V C -0.400 175.724 176.094 0.049 0.000 1.021 410 V CA -0.449 61.853 62.300 0.003 0.000 0.838 410 V CB 1.407 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 4.052 124.509 120.400 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 42.202 40.800 0.316 0.000 1.153 411 D HN 0.709 nan 8.370 nan 0.000 0.457 412 E N 1.826 122.169 120.200 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 1.388 31.169 29.700 0.135 0.000 1.170 412 E HN 0.451 nan 8.360 nan 0.000 0.415 413 A N 3.734 126.683 122.820 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 -0.271 51.875 52.037 0.181 0.000 0.777 413 A CB 0.179 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 1.455 120.283 118.700 0.213 0.000 2.971 414 N HA 0.202 4.942 4.740 0.000 0.000 0.294 414 N C -0.946 174.686 175.510 0.203 0.000 1.210 414 N CA 0.240 53.444 53.050 0.257 0.000 1.157 414 N CB -0.878 37.768 38.487 0.265 0.000 1.450 414 N HN 0.472 nan 8.380 nan 0.000 0.527 415 I N 0.747 121.430 120.570 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 1.873 39.938 38.000 0.108 0.000 1.218 415 I HN 0.209 nan 8.210 nan 0.000 0.442 416 E N 4.217 124.500 120.200 0.137 0.000 2.278 416 E HA 0.398 4.748 4.350 0.000 0.000 0.272 416 E C -0.448 176.212 176.600 0.099 0.000 0.890 416 E CA -0.443 56.011 56.400 0.089 0.000 0.770 416 E CB 1.870 31.601 29.700 0.052 0.000 1.212 416 E HN 0.649 nan 8.360 nan 0.000 0.415 417 T N 0.629 115.230 114.554 0.078 0.000 3.331 417 T HA 0.147 4.497 4.350 0.000 0.000 0.282 417 T C 0.963 175.709 174.700 0.077 0.000 1.010 417 T CA -0.247 61.928 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 2.320 177.513 175.328 -0.224 0.000 1.111 418 H CA 1.617 57.545 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 0.247 108.899 108.800 -0.247 0.000 2.679 419 G HA2 -0.072 3.888 3.960 0.000 0.000 0.212 419 G HA3 -0.072 3.888 3.960 0.000 0.000 0.212 419 G C 0.623 175.613 174.900 0.151 0.000 1.137 419 G CA -0.018 44.967 45.100 -0.192 0.000 0.787 419 G HN 0.159 nan 8.290 nan 0.000 0.534 420 M N -0.036 119.694 119.600 0.217 0.000 2.113 420 M HA 0.340 4.820 4.480 0.000 0.000 0.288 420 M C -0.301 176.031 176.300 0.053 0.000 1.225 420 M CA 0.096 55.484 55.300 0.146 0.000 1.148 420 M CB 1.024 33.664 32.600 0.067 0.000 1.388 420 M HN -0.163 nan 8.290 nan 0.000 0.469 421 V N 1.925 121.849 119.914 0.017 0.000 2.624 421 V HA 0.280 4.401 4.120 0.000 0.000 0.294 421 V C -2.201 173.882 176.094 -0.018 0.000 1.077 421 V CA -1.291 61.006 62.300 -0.005 0.000 0.905 421 V CB 1.979 33.797 31.823 -0.008 0.000 1.025 421 V HN 0.735 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 62.570 63.100 -0.014 0.000 0.795 422 P CB 0.819 32.512 31.700 -0.011 0.000 1.006 423 M N 1.200 120.799 119.600 -0.001 0.000 2.192 423 M HA -0.257 4.223 4.480 0.000 0.000 0.256 423 M C 1.116 177.424 176.300 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 -0.225 118.482 118.700 0.012 0.000 2.268 424 N HA -0.062 4.678 4.740 0.000 0.000 0.204 424 N C 1.152 176.624 175.510 -0.064 0.000 1.124 424 N CA 0.183 53.237 53.050 0.006 0.000 0.838 424 N CB -0.660 37.853 38.487 0.043 0.000 0.994 424 N HN 0.405 nan 8.380 nan 0.000 0.489 425 R N 0.640 121.091 120.500 -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 57.746 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 -0.803 120.228 121.223 -0.320 0.000 2.102 426 L HA -0.032 4.308 4.340 0.000 0.000 0.202 426 L C 2.557 179.231 176.870 -0.326 0.000 1.076 426 L CA 1.389 55.895 54.840 -0.557 0.000 0.761 426 L CB -0.757 40.720 42.059 -0.969 0.000 0.921 426 L HN 0.401 nan 8.230 nan 0.000 0.444 427 T N -3.697 110.709 114.554 -0.248 0.000 2.897 427 T HA -0.225 4.125 4.350 0.000 0.000 0.271 427 T C 1.229 175.806 174.700 -0.206 0.000 1.084 427 T CA 1.488 63.428 62.100 -0.265 0.000 1.123 427 T CB -0.366 68.309 68.868 -0.321 0.000 0.865 427 T HN 0.116 nan 8.240 nan 0.000 0.496 428 D N 1.407 121.726 120.400 -0.135 0.000 2.358 428 D HA 0.154 4.794 4.640 0.000 0.000 0.224 428 D C -0.546 175.721 176.300 -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 40.695 40.800 -0.072 0.000 0.946 428 D HN 0.362 nan 8.370 nan 0.000 0.505 429 D N -0.615 119.769 120.400 -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 -2.294 51.740 54.000 0.057 0.000 0.861 429 D CB 2.199 43.069 40.800 0.117 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 1.263 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 -1.824 118.691 120.500 0.025 0.000 2.139 431 R HA -0.157 4.183 4.340 0.000 0.000 0.243 431 R C 1.916 178.079 176.300 -0.228 0.000 1.145 431 R CA 1.664 57.703 56.100 -0.101 0.000 0.976 431 R CB -0.860 29.363 30.300 -0.129 0.000 0.866 431 R HN 0.339 nan 8.270 nan 0.000 0.449 432 W N -0.578 120.660 121.300 -0.102 0.000 3.290 432 W HA 0.163 4.823 4.660 0.000 0.000 0.287 432 W C 1.387 177.841 176.519 -0.107 0.000 1.288 432 W CA -0.544 56.739 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 2.915 124.181 121.223 0.073 0.000 1.963 433 L HA -0.164 4.176 4.340 0.000 0.000 0.220 433 L C -0.500 176.342 176.870 -0.046 0.000 1.076 433 L CA 2.469 57.306 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 -0.240 nan 4.420 nan 0.000 0.217 434 P C 1.605 178.855 177.300 -0.084 0.000 1.158 434 P CA 2.611 65.653 63.100 -0.097 0.000 0.887 434 P CB -0.401 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 2.565 54.597 52.037 -0.009 0.000 0.623 435 A CB -1.576 17.469 19.000 0.075 0.000 0.826 435 A HN 0.097 nan 8.150 nan 0.000 0.444 436 M N 0.365 119.981 119.600 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 1.970 57.260 55.300 -0.017 0.000 1.107 436 M CB -0.799 31.770 32.600 -0.051 0.000 1.356 436 M HN 0.595 nan 8.290 nan 0.000 0.406 437 S N 0.457 116.077 115.700 -0.133 0.000 2.359 437 S HA -0.185 4.285 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 59.456 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 1.022 57.328 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 0.139 120.587 120.500 -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 0.038 119.866 119.914 -0.143 0.000 2.374 440 V HA -0.182 3.938 4.120 0.000 0.000 0.241 440 V C 2.399 178.341 176.094 -0.253 0.000 1.034 440 V CA 2.033 64.235 62.300 -0.163 0.000 1.037 440 V CB -0.399 31.318 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 1.893 63.655 62.100 -0.563 0.000 1.159 441 T CB -0.546 67.870 68.868 -0.754 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 1.811 57.836 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 1.551 121.323 119.914 -0.237 0.000 2.295 444 V HA -0.307 3.813 4.120 0.000 0.000 0.246 444 V C 2.403 178.396 176.094 -0.169 0.000 1.049 444 V CA 2.308 64.360 62.300 -0.413 0.000 1.024 444 V CB -1.207 30.334 31.823 -0.471 0.000 0.648 444 V HN 0.627 nan 8.190 nan 0.000 0.447 445 Q N 0.015 119.752 119.800 -0.105 0.000 2.226 445 Q HA -0.248 4.092 4.340 0.000 0.000 0.204 445 Q C 2.349 178.282 176.000 -0.112 0.000 0.975 445 Q CA 1.628 57.383 55.803 -0.081 0.000 0.866 445 Q CB -0.352 28.366 28.738 -0.033 0.000 0.915 445 Q HN 0.597 nan 8.270 nan 0.000 0.440 446 R N 0.779 121.204 120.500 -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 1.427 57.425 56.100 -0.169 0.000 0.966 446 R CB 0.320 30.516 30.300 -0.174 0.000 0.861 446 R HN 0.150 nan 8.270 nan 0.000 0.433 447 D N -0.013 120.373 120.400 -0.025 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 0.235 54.265 54.000 0.050 0.000 0.854 447 D CB 0.209 40.994 40.800 -0.025 0.000 0.936 447 D HN 0.348 nan 8.370 nan 0.000 0.514 448 R N 0.795 121.411 120.500 0.194 0.000 2.303 448 R HA -0.008 4.332 4.340 0.000 0.000 0.225 448 R C 0.906 177.201 176.300 -0.007 0.000 1.114 448 R CA 1.066 57.294 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 0.213 118.822 118.700 -0.151 0.000 2.280 449 N HA -0.014 4.726 4.740 0.000 0.000 0.192 449 N C -0.527 174.840 175.510 -0.238 0.000 1.109 449 N CA 0.130 53.047 53.050 -0.222 0.000 0.855 449 N CB 0.153 38.453 38.487 -0.312 0.000 0.974 449 N HN 0.321 nan 8.380 nan 0.000 0.482 450 H N 1.568 120.550 119.070 -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 -1.329 54.615 56.048 -0.173 0.000 1.411 450 H CB 1.632 31.326 29.762 -0.113 0.000 1.439 450 H HN 0.016 nan 8.280 nan 0.000 0.474 451 P HA -0.176 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 1.323 64.075 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 0.308 58.350 58.200 -0.264 0.000 0.965 452 S CB -1.406 61.756 63.200 -0.063 0.000 0.773 452 S HN -0.054 nan 8.310 nan 0.000 0.504 453 V N 3.561 123.401 119.914 -0.123 0.000 2.470 453 V HA 0.263 4.383 4.120 0.000 0.000 0.276 453 V C 1.021 176.971 176.094 -0.240 0.000 1.040 453 V CA -0.077 62.118 62.300 -0.175 0.000 1.008 453 V CB 0.623 32.240 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 0.201 176.196 176.117 -0.204 0.000 1.348 454 I CA 0.339 61.550 61.300 -0.148 0.000 1.152 454 I CB 0.519 38.513 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 -1.599 174.412 176.117 -0.178 0.000 1.200 455 I CA -0.397 60.799 61.300 -0.172 0.000 1.036 455 I CB 2.046 40.043 38.000 -0.006 0.000 1.258 455 I HN 0.038 nan 8.210 nan 0.000 0.421 456 W N 3.863 125.208 121.300 0.074 0.000 2.449 456 W HA 0.615 5.275 4.660 0.000 0.000 0.331 456 W C 0.442 177.023 176.519 0.102 0.000 1.119 456 W CA -0.627 56.767 57.345 0.083 0.000 1.240 456 W CB 1.652 31.153 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 0.397 4.867 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 0.789 64.113 63.200 0.207 0.000 1.028 457 S HN 0.568 nan 8.310 nan 0.000 0.484 458 L N 4.187 125.570 121.223 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 0.381 55.314 54.840 0.155 0.000 0.911 458 L CB -1.451 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 0.129 109.082 108.800 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 -1.484 173.585 174.900 0.280 0.000 1.267 459 G CA -0.550 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 0.331 119.144 118.700 0.189 0.000 2.598 460 N HA 0.451 5.191 4.740 0.000 0.000 0.263 460 N C -0.460 175.005 175.510 -0.075 0.000 1.254 460 N CA 0.141 53.163 53.050 -0.047 0.000 0.863 460 N CB 1.390 39.572 38.487 -0.508 0.000 1.586 460 N HN 0.951 nan 8.380 nan 0.000 0.491 461 E N 0.274 120.323 120.200 -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 0.692 56.865 56.400 -0.377 0.000 0.575 461 E CB -1.445 27.733 29.700 -0.871 0.000 1.037 461 E HN 0.360 nan 8.360 nan 0.000 0.286 462 S N 0.165 115.915 115.700 0.082 0.000 2.941 462 S HA 0.398 4.868 4.470 0.000 0.000 0.251 462 S C 0.725 175.482 174.600 0.261 0.000 1.029 462 S CA -0.122 58.181 58.200 0.172 0.000 1.062 462 S CB 1.363 64.716 63.200 0.255 0.000 0.977 462 S HN 0.892 nan 8.310 nan 0.000 0.552 463 G N 1.981 110.880 108.800 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 -0.515 174.599 174.900 0.357 0.000 1.264 463 G CA -0.005 45.199 45.100 0.173 0.000 0.935 463 G HN 0.625 nan 8.290 nan 0.000 0.568 464 H N 0.434 119.629 119.070 0.209 0.000 2.840 464 H HA 0.577 5.133 4.556 0.000 0.000 0.340 464 H C 0.115 175.619 175.328 0.295 0.000 1.004 464 H CA 0.060 56.259 56.048 0.252 0.000 1.288 464 H CB 1.022 30.860 29.762 0.126 0.000 1.607 464 H HN 1.263 nan 8.280 nan 0.000 0.522 465 G N 1.382 110.187 108.800 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 -0.142 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 -0.182 4.558 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 57.359 56.048 -0.071 0.000 1.308 468 H CB 0.066 29.772 29.762 -0.093 0.000 1.375 468 H HN 0.177 nan 8.280 nan 0.000 0.495 469 D N 0.516 121.049 120.400 0.222 0.000 2.116 469 D HA -0.192 4.448 4.640 0.000 0.000 0.193 469 D C 2.313 178.755 176.300 0.235 0.000 0.998 469 D CA 1.343 55.475 54.000 0.220 0.000 0.836 469 D CB -0.563 40.333 40.800 0.161 0.000 0.951 469 D HN 0.445 nan 8.370 nan 0.000 0.449 470 A N 0.798 123.707 122.820 0.147 0.000 1.908 470 A HA -0.140 4.180 4.320 0.000 0.000 0.218 470 A C 2.464 180.153 177.584 0.175 0.000 1.181 470 A CA 1.041 53.160 52.037 0.137 0.000 0.627 470 A CB -0.772 18.267 19.000 0.065 0.000 0.818 470 A HN 0.215 nan 8.150 nan 0.000 0.445 471 L N -2.169 119.141 121.223 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 0.235 0.000 1.078 471 L CA 1.738 56.665 54.840 0.145 0.000 0.749 471 L CB -0.807 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 0.950 121.329 120.300 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 0.009 120.641 120.500 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 2.015 58.164 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 1.309 122.566 121.300 -0.071 0.000 2.318 474 W HA -0.209 4.451 4.660 0.000 0.000 0.313 474 W C 1.943 178.367 176.519 -0.157 0.000 1.221 474 W CA 1.950 59.238 57.345 -0.095 0.000 1.266 474 W CB -0.422 28.986 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 -0.015 0.000 2.142 475 I HA -0.351 3.819 4.170 0.000 0.000 0.240 475 I C 2.467 178.352 176.117 -0.386 0.000 1.078 475 I CA 1.431 62.553 61.300 -0.297 0.000 1.343 475 I CB -1.015 36.878 38.000 -0.177 0.000 1.046 475 I HN -0.092 nan 8.210 nan 0.000 0.405 476 K N 1.183 121.380 120.400 -0.337 0.000 2.089 476 K HA -0.172 4.148 4.320 0.000 0.000 0.210 476 K C 2.219 178.668 176.600 -0.252 0.000 1.048 476 K CA 1.888 58.001 56.287 -0.290 0.000 0.926 476 K CB -0.666 31.642 32.500 -0.319 0.000 0.714 476 K HN 0.374 nan 8.250 nan 0.000 0.448 477 S N 0.311 115.826 115.700 -0.309 0.000 2.395 477 S HA -0.035 4.435 4.470 0.000 0.000 0.225 477 S C 2.227 176.595 174.600 -0.386 0.000 1.027 477 S CA 0.808 58.830 58.200 -0.297 0.000 0.965 477 S CB -0.131 62.905 63.200 -0.273 0.000 0.812 477 S HN -0.006 nan 8.310 nan 0.000 0.482 478 V N 1.382 120.926 119.914 -0.616 0.000 2.535 478 V HA 0.061 4.181 4.120 0.000 0.000 0.246 478 V C 0.384 176.235 176.094 -0.406 0.000 1.045 478 V CA 1.237 63.155 62.300 -0.637 0.000 1.058 478 V CB -0.235 30.891 31.823 -1.162 0.000 0.689 478 V HN 0.392 nan 8.190 nan 0.000 0.461 479 D N -0.713 119.488 120.400 -0.332 0.000 2.358 479 D HA 0.273 4.913 4.640 0.000 0.000 0.253 479 D C -2.272 174.005 176.300 -0.040 0.000 1.288 479 D CA -1.768 52.154 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 0.026 nan 4.420 nan 0.000 0.255 480 P C 1.078 178.393 177.300 0.027 0.000 1.248 480 P CA 0.229 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 0.907 175.538 174.600 0.051 0.000 0.995 481 S CA -0.040 58.193 58.200 0.054 0.000 0.934 481 S CB -0.399 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 0.952 121.501 120.500 0.081 0.000 2.744 482 R HA 0.635 4.975 4.340 0.000 0.000 0.279 482 R C -3.221 173.142 176.300 0.106 0.000 0.977 482 R CA -2.408 53.711 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 -0.796 176.607 177.300 0.171 0.000 1.252 483 P CA -0.530 62.633 63.100 0.106 0.000 0.802 483 P CB 0.784 32.530 31.700 0.078 0.000 1.035 484 V N 1.860 121.897 119.914 0.205 0.000 2.540 484 V HA 0.411 4.531 4.120 0.000 0.000 0.302 484 V C 0.138 176.410 176.094 0.296 0.000 1.035 484 V CA -0.417 62.050 62.300 0.278 0.000 0.873 484 V CB 1.335 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 3.672 123.628 119.800 0.260 0.000 2.433 485 Q HA 0.822 5.162 4.340 0.000 0.000 0.279 485 Q C -1.754 174.405 176.000 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 0.187 120.505 120.300 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 2.097 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 3.598 123.338 120.200 -0.766 0.000 2.250 487 E HA 0.115 4.465 4.350 0.000 0.000 0.192 487 E C 0.734 176.875 176.600 -0.766 0.000 0.986 487 E CA 0.767 56.802 56.400 -0.609 0.000 0.849 487 E CB 0.176 29.637 29.700 -0.398 0.000 0.797 487 E HN 0.909 nan 8.360 nan 0.000 0.482 488 G N 0.063 107.964 108.800 -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 0.399 45.026 45.100 -0.788 0.000 0.863 488 G HN 0.390 nan 8.290 nan 0.000 0.559 489 G N -0.249 108.493 108.800 -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 1.291 176.175 174.900 -0.026 0.000 1.025 489 G CA 1.000 46.104 45.100 0.006 0.000 0.769 489 G HN 2.638 nan 8.290 nan 0.000 0.507 490 G N -1.717 107.064 108.800 -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 1.328 46.468 45.100 0.066 0.000 0.663 490 G HN 2.340 nan 8.290 nan 0.000 0.493 491 A N -0.155 122.650 122.820 -0.025 0.000 3.413 491 A HA -0.113 4.207 4.320 0.000 0.000 0.268 491 A C 1.092 178.623 177.584 -0.088 0.000 1.128 491 A CA 2.665 54.640 52.037 -0.103 0.000 1.062 491 A CB -1.810 17.100 19.000 -0.150 0.000 1.121 491 A HN 2.111 nan 8.150 nan 0.000 0.895 492 D N -1.095 119.320 120.400 0.025 0.000 2.692 492 D HA 0.301 4.941 4.640 0.000 0.000 0.290 492 D C 0.432 176.721 176.300 -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 0.253 0.000 1.131 492 D HN 0.846 nan 8.370 nan 0.000 0.467 493 T N -2.454 112.025 114.554 -0.126 0.000 2.698 493 T HA 0.147 4.497 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 -2.142 112.270 114.554 -0.236 0.000 3.113 494 T HA 0.128 4.478 4.350 0.000 0.000 0.263 494 T C 1.648 176.101 174.700 -0.412 0.000 1.143 494 T CA 0.600 62.574 62.100 -0.209 0.000 1.090 494 T CB -0.770 68.045 68.868 -0.088 0.000 0.922 494 T HN 0.836 nan 8.240 nan 0.000 0.521 495 A N 0.140 122.751 122.820 -0.349 0.000 2.337 495 A HA 0.464 4.784 4.320 0.000 0.000 0.227 495 A C 0.979 178.381 177.584 -0.304 0.000 1.259 495 A CA -0.025 51.760 52.037 -0.420 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 -0.465 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 0.076 nan 8.240 nan 0.000 0.465 497 D N 2.620 123.127 120.400 0.178 0.000 2.349 497 D HA 0.305 4.945 4.640 0.000 0.000 0.215 497 D C 0.255 176.591 176.300 0.061 0.000 1.016 497 D CA 0.661 54.750 54.000 0.148 0.000 0.870 497 D CB 0.397 41.310 40.800 0.189 0.000 0.917 497 D HN 0.511 nan 8.370 nan 0.000 0.524 498 I N 0.472 121.058 120.570 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 2.996 40.985 38.000 -0.019 0.000 1.235 498 I HN -0.347 nan 8.210 nan 0.000 0.423 499 I N 4.905 125.372 120.570 -0.171 0.000 2.363 499 I HA 0.124 4.294 4.170 0.000 0.000 0.292 499 I C -0.054 175.871 176.117 -0.320 0.000 1.075 499 I CA -0.164 60.948 61.300 -0.313 0.000 1.333 499 I CB 0.048 37.767 38.000 -0.468 0.000 1.415 499 I HN 0.599 nan 8.210 nan 0.000 0.502 500 C N 5.419 124.550 119.300 -0.281 0.000 3.273 500 C HA 0.503 4.963 4.460 0.000 0.000 0.227 500 C C -2.190 172.667 174.990 -0.222 0.000 1.409 500 C CA -2.267 56.626 59.018 -0.208 0.000 1.516 500 C CB -0.892 26.782 27.740 -0.111 0.000 1.853 500 C HN 0.408 nan 8.230 nan 0.000 0.472 501 P HA 0.438 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 -0.029 62.959 63.100 -0.186 0.000 0.793 501 P CB 0.693 32.281 31.700 -0.186 0.000 1.074 502 M N -0.883 118.680 119.600 -0.062 0.000 2.204 502 M HA 0.482 4.963 4.480 0.000 0.000 0.293 502 M C -1.084 175.201 176.300 -0.026 0.000 0.994 502 M CA -0.632 54.547 55.300 -0.203 0.000 0.925 502 M CB 1.650 34.085 32.600 -0.275 0.000 1.577 502 M HN 0.353 nan 8.290 nan 0.000 0.439 503 Y N -0.324 120.125 120.300 0.249 0.000 4.729 503 Y HA -0.197 4.353 4.550 0.000 0.000 0.239 503 Y C 0.489 176.543 175.900 0.256 0.000 1.043 503 Y CA 0.414 58.663 58.100 0.249 0.000 2.045 503 Y CB -2.165 36.412 38.460 0.195 0.000 1.599 503 Y HN 1.007 nan 8.280 nan 0.000 0.655 504 A N 1.095 124.122 122.820 0.345 0.000 2.425 504 A HA 0.615 4.935 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 -0.375 51.865 52.037 0.339 0.000 0.781 504 A CB 0.412 19.637 19.000 0.376 0.000 1.019 504 A HN 0.408 nan 8.150 nan 0.000 0.490 505 R N 1.130 121.759 120.500 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 -0.684 55.477 56.100 0.102 0.000 1.142 505 R CB 0.761 31.098 30.300 0.062 0.000 1.110 505 R HN 0.481 nan 8.270 nan 0.000 0.549 506 V N 0.670 120.406 119.914 -0.298 0.000 2.270 506 V HA -0.212 3.908 4.120 0.000 0.000 0.245 506 V C 0.868 176.845 176.094 -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 -1.423 118.897 120.400 -0.134 0.000 2.474 507 D HA 0.123 4.763 4.640 0.000 0.000 0.213 507 D C 0.747 177.029 176.300 -0.031 0.000 1.120 507 D CA 0.050 54.004 54.000 -0.077 0.000 0.836 507 D CB 0.949 41.708 40.800 -0.068 0.000 1.019 507 D HN 0.552 nan 8.370 nan 0.000 0.507 508 E N 1.605 121.793 120.200 -0.019 0.000 2.179 508 E HA 0.197 4.547 4.350 0.000 0.000 0.275 508 E C -1.035 175.569 176.600 0.007 0.000 0.945 508 E CA -0.621 55.776 56.400 -0.005 0.000 0.792 508 E CB 1.461 31.157 29.700 -0.006 0.000 1.125 508 E HN -0.278 nan 8.360 nan 0.000 0.397 509 D N 3.237 123.638 120.400 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 1.555 121.146 119.800 -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 -1.090 0.000 0.991 510 Q CA -1.643 53.746 55.803 -0.689 0.000 0.707 510 Q CB 2.454 30.804 28.738 -0.646 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 -0.134 62.540 63.100 -0.709 0.000 0.976 511 P CB -0.531 30.955 31.700 -0.357 0.000 1.952 512 F N 2.432 122.229 119.950 -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 -0.456 38.460 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 0.970 64.085 63.100 0.026 0.000 0.768 513 P CB 1.012 32.728 31.700 0.028 0.000 0.838 514 A N 2.837 125.657 122.820 0.000 0.000 3.292 514 A HA -0.258 4.062 4.320 0.000 0.000 0.241 514 A C 0.715 178.293 177.584 -0.009 0.000 0.569 514 A CA 2.176 54.215 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 -3.560 116.352 119.914 -0.004 0.000 2.546 515 V HA 0.575 4.695 4.120 0.000 0.000 0.260 515 V C -2.666 173.430 176.094 0.004 0.000 0.933 515 V CA -1.251 61.042 62.300 -0.011 0.000 0.994 515 V CB 0.899 32.724 31.823 0.004 0.000 1.160 515 V HN 0.439 nan 8.190 nan 0.000 0.523 516 P HA 0.345 nan 4.420 nan 0.000 0.274 516 P C -0.728 176.126 177.300 -0.743 0.000 1.231 516 P CA 0.051 62.797 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 -0.482 175.839 176.600 -0.464 0.000 1.000 517 K CA -0.286 55.789 56.287 -0.354 0.000 0.951 517 K CB 0.636 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 1.561 122.587 121.300 -0.456 0.000 2.126 518 W HA 0.046 4.706 4.660 0.000 0.000 0.346 518 W C 1.333 177.870 176.519 0.030 0.000 1.279 518 W CA -0.652 56.514 57.345 -0.297 0.000 1.259 518 W CB 0.516 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 3.201 119.065 115.700 0.273 0.000 2.558 519 S HA -0.067 4.403 4.470 0.000 0.000 0.288 519 S C 1.132 175.876 174.600 0.239 0.000 1.318 519 S CA -0.230 58.071 58.200 0.167 0.000 1.056 519 S CB 0.259 63.492 63.200 0.054 0.000 0.853 519 S HN 0.549 nan 8.310 nan 0.000 0.505 520 I N 1.425 122.094 120.570 0.164 0.000 2.361 520 I HA -0.176 3.994 4.170 0.000 0.000 0.251 520 I C 1.867 178.005 176.117 0.036 0.000 1.133 520 I CA 1.227 62.623 61.300 0.160 0.000 1.413 520 I CB -0.572 37.462 38.000 0.056 0.000 1.073 520 I HN 0.653 nan 8.210 nan 0.000 0.424 521 K N 1.944 122.273 120.400 -0.118 0.000 2.148 521 K HA -0.159 4.161 4.320 0.000 0.000 0.204 521 K C 2.153 178.737 176.600 -0.027 0.000 1.050 521 K CA 1.534 57.683 56.287 -0.231 0.000 0.942 521 K CB -0.283 31.985 32.500 -0.386 0.000 0.724 521 K HN 0.437 nan 8.250 nan 0.000 0.446 522 K N 0.678 121.087 120.400 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 0.642 56.918 56.287 -0.018 0.000 0.941 522 K CB -0.090 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 2.083 123.344 121.300 -0.064 0.000 2.321 523 W HA -0.232 4.428 4.660 0.000 0.000 0.306 523 W C 1.560 178.043 176.519 -0.060 0.000 1.217 523 W CA 1.338 58.658 57.345 -0.042 0.000 1.257 523 W CB -0.661 28.876 29.460 0.129 0.000 1.145 523 W HN 0.137 nan 8.180 nan 0.000 0.509 524 L N 0.791 122.161 121.223 0.245 0.000 2.081 524 L HA -0.274 4.066 4.340 0.000 0.000 0.212 524 L C 2.540 179.466 176.870 0.093 0.000 1.080 524 L CA 2.090 57.008 54.840 0.131 0.000 0.754 524 L CB -1.013 41.104 42.059 0.097 0.000 0.893 524 L HN 0.026 nan 8.230 nan 0.000 0.433 525 S N -1.035 114.699 115.700 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 57.744 58.200 0.008 0.000 0.914 525 S CB -0.480 62.719 63.200 -0.001 0.000 0.776 525 S HN 0.199 nan 8.310 nan 0.000 0.523 526 L N 2.191 123.378 121.223 -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 -1.721 53.046 54.840 -0.122 0.000 0.850 526 L CB -0.438 41.514 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 0.990 64.066 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 2.041 110.839 108.800 -0.003 0.000 2.253 528 G HA2 -0.271 3.689 3.960 0.000 0.000 0.251 528 G HA3 -0.271 3.689 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 0.136 45.242 45.100 0.010 0.000 0.621 528 G HN 0.627 nan 8.290 nan 0.000 0.524 529 E N 1.208 121.428 120.200 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 0.782 30.543 29.700 0.101 0.000 0.963 529 E HN 0.669 nan 8.360 nan 0.000 0.432 530 T N 0.524 115.096 114.554 0.030 0.000 3.131 530 T HA 0.301 4.652 4.350 0.000 0.000 0.283 530 T C 0.578 175.284 174.700 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 2.166 122.669 120.500 0.004 0.000 2.707 531 R HA 0.467 4.807 4.340 0.000 0.000 0.270 531 R C -2.563 173.715 176.300 -0.036 0.000 1.083 531 R CA -1.574 54.517 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 -0.070 0.000 0.811 532 P CB 0.653 32.312 31.700 -0.068 0.000 1.035 533 L N 1.939 123.074 121.223 -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 0.854 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 -0.969 175.048 176.117 -0.166 0.000 1.069 534 I CA -0.638 60.520 61.300 -0.236 0.000 1.056 534 I CB 2.069 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 0.122 4.462 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 54.514 54.840 -0.106 0.000 0.845 535 L CB 0.861 42.823 42.059 -0.162 0.000 1.143 535 L HN 0.868 nan 8.230 nan 0.000 0.452 536 C N 0.342 119.690 119.300 0.079 0.000 2.446 536 C HA 0.113 4.573 4.460 0.000 0.000 0.279 536 C C 0.620 175.742 174.990 0.221 0.000 1.366 536 C CA -0.091 59.021 59.018 0.157 0.000 1.763 536 C CB -0.955 26.788 27.740 0.005 0.000 1.929 536 C HN 0.822 nan 8.230 nan 0.000 0.509 537 E N -0.784 119.469 120.200 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 -0.359 56.072 56.400 0.052 0.000 0.770 537 E CB 1.920 31.475 29.700 -0.241 0.000 1.225 537 E HN 0.689 nan 8.360 nan 0.000 0.417 538 Y N -0.823 119.442 120.300 -0.058 0.000 2.677 538 Y HA 0.606 5.156 4.550 0.000 0.000 0.334 538 Y C -0.808 175.260 175.900 0.279 0.000 1.196 538 Y CA -0.755 57.346 58.100 0.002 0.000 1.059 538 Y CB 0.992 39.361 38.460 -0.152 0.000 1.315 538 Y HN 0.679 nan 8.280 nan 0.000 0.455 539 A N 2.148 125.035 122.820 0.111 0.000 2.360 539 A HA -0.264 4.056 4.320 0.000 0.000 0.289 539 A C -0.325 177.390 177.584 0.219 0.000 1.437 539 A CA 1.001 53.081 52.037 0.072 0.000 0.734 539 A CB -2.530 16.345 19.000 -0.209 0.000 1.145 539 A HN 1.137 nan 8.150 nan 0.000 0.374 540 H N 0.584 119.826 119.070 0.287 0.000 3.248 540 H HA 0.175 4.731 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 0.811 57.044 56.048 0.308 0.000 1.416 540 H CB 0.336 30.175 29.762 0.128 0.000 1.523 540 H HN 0.860 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 0.964 178.398 177.584 -0.252 0.000 1.391 541 A CA -0.345 51.577 52.037 -0.192 0.000 1.066 541 A CB -0.572 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 1.525 120.952 119.600 -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 1.268 56.407 55.300 -0.267 0.000 1.278 542 M CB -0.522 31.957 32.600 -0.201 0.000 1.657 542 M HN 0.802 nan 8.290 nan 0.000 0.455 543 G N 4.309 112.936 108.800 -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 -0.148 174.283 174.900 -0.782 0.000 1.175 543 G CA 0.021 44.793 45.100 -0.547 0.000 0.962 543 G HN 0.793 nan 8.290 nan 0.000 0.560 544 N N 1.525 119.582 118.700 -1.072 0.000 2.549 544 N HA 0.491 5.231 4.740 0.000 0.000 0.267 544 N C 0.029 175.285 175.510 -0.424 0.000 1.182 544 N CA 1.121 53.708 53.050 -0.772 0.000 1.019 544 N CB 0.277 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 1.590 117.121 115.700 -0.281 0.000 2.998 545 S HA 0.620 5.090 4.470 0.000 0.000 0.323 545 S C -0.017 174.505 174.600 -0.129 0.000 1.141 545 S CA -0.384 57.705 58.200 -0.186 0.000 0.873 545 S CB 0.289 63.400 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 -1.808 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 -0.875 107.923 108.800 -0.004 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 0.075 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 1.813 110.669 108.800 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 1.131 176.246 174.900 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 2.196 122.283 119.950 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 -0.586 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 -0.439 122.548 122.820 0.279 0.000 1.978 550 A HA -0.236 4.084 4.320 0.000 0.000 0.220 550 A C 2.312 179.919 177.584 0.037 0.000 1.170 550 A CA 1.750 53.872 52.037 0.143 0.000 0.636 550 A CB -0.750 18.338 19.000 0.147 0.000 0.810 550 A HN 0.439 nan 8.150 nan 0.000 0.448 551 K N -1.548 118.867 120.400 0.025 0.000 2.074 551 K HA -0.212 4.108 4.320 0.000 0.000 0.209 551 K C 1.809 178.200 176.600 -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 32.074 32.500 -0.133 0.000 0.713 551 K HN 0.671 nan 8.250 nan 0.000 0.444 552 Y N -0.953 119.076 120.300 -0.451 0.000 2.163 552 Y HA -0.240 4.310 4.550 0.000 0.000 0.288 552 Y C 2.131 177.082 175.900 -1.583 0.000 1.136 552 Y CA 1.348 58.824 58.100 -1.041 0.000 1.147 552 Y CB -0.425 37.392 38.460 -1.072 0.000 0.987 552 Y HN 0.172 nan 8.280 nan 0.000 0.509 553 W N 0.619 121.491 121.300 -0.712 0.000 2.350 553 W HA -0.233 4.427 4.660 0.000 0.000 0.289 553 W C 2.666 178.997 176.519 -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 0.482 120.182 119.800 -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 -0.113 0.000 0.966 554 Q CA 1.814 57.566 55.803 -0.085 0.000 0.845 554 Q CB -0.486 28.229 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 1.935 179.487 177.584 -0.053 0.000 1.181 555 A CA 1.160 53.080 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 -0.288 119.496 119.950 -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 -0.150 0.000 1.103 556 F CA 1.293 59.100 58.000 -0.322 0.000 1.228 556 F CB -0.227 38.383 39.000 -0.651 0.000 0.984 556 F HN 0.152 nan 8.300 nan 0.000 0.477 557 R N 0.080 120.648 120.500 0.112 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 57.436 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 -0.610 175.439 176.000 0.082 0.000 0.919 558 Q CA 0.489 56.352 55.803 0.100 0.000 0.923 558 Q CB 0.562 29.375 28.738 0.126 0.000 1.048 558 Q HN 0.179 nan 8.270 nan 0.000 0.515 559 Y N 0.494 120.777 120.300 -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 1.552 39.997 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 1.151 178.455 177.300 0.006 0.000 1.158 560 P CA 1.855 64.962 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 -1.116 119.405 120.500 0.035 0.000 2.323 561 R HA 0.095 4.435 4.340 0.000 0.000 0.198 561 R C 0.572 176.850 176.300 -0.036 0.000 0.988 561 R CA 0.147 56.247 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 1.949 123.165 121.223 -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 -0.097 0.000 0.839 562 L CB 1.271 43.339 42.059 0.015 0.000 1.219 562 L HN 0.001 nan 8.230 nan 0.000 0.434 563 Q N 2.903 122.499 119.800 -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 0.903 29.492 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 -0.365 173.778 174.900 -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 -2.213 106.083 108.800 -0.839 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 -0.180 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 0.493 120.678 119.950 0.393 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 2.158 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 2.879 123.109 119.914 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 -0.443 61.964 62.300 0.180 0.000 1.124 567 V CB 1.015 32.925 31.823 0.145 0.000 0.987 567 V HN 0.786 nan 8.190 nan 0.000 0.487 568 W N 5.995 127.362 121.300 0.111 0.000 2.336 568 W HA 0.470 5.130 4.660 0.000 0.000 0.315 568 W C -1.054 175.490 176.519 0.042 0.000 1.016 568 W CA -0.656 56.795 57.345 0.176 0.000 1.318 568 W CB 1.421 31.128 29.460 0.413 0.000 1.247 568 W HN 0.924 nan 8.180 nan 0.000 0.414 569 D N 2.603 122.647 120.400 -0.592 0.000 2.812 569 D HA 0.114 4.754 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 -0.551 53.008 54.000 -0.736 0.000 0.989 569 D CB 0.239 40.052 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 -0.068 176.225 176.519 -0.378 0.000 1.209 570 W CA 1.482 58.581 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 0.916 120.627 119.914 -0.339 0.000 2.919 571 V HA 0.296 4.416 4.120 0.000 0.000 0.316 571 V C -0.447 175.453 176.094 -0.323 0.000 1.077 571 V CA -1.106 60.932 62.300 -0.436 0.000 0.977 571 V CB 1.348 33.049 31.823 -0.203 0.000 1.039 571 V HN -0.084 nan 8.190 nan 0.000 0.441 572 D N 1.577 121.806 120.400 -0.286 0.000 2.382 572 D HA 0.171 4.811 4.640 0.000 0.000 0.245 572 D C -0.023 176.130 176.300 -0.244 0.000 1.120 572 D CA 0.202 54.081 54.000 -0.202 0.000 0.890 572 D CB 1.349 42.119 40.800 -0.050 0.000 1.201 572 D HN 0.607 nan 8.370 nan 0.000 0.433 573 Q N 0.993 120.583 119.800 -0.351 0.000 3.207 573 Q HA 0.153 4.493 4.340 0.000 0.000 0.335 573 Q C -0.347 175.603 176.000 -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 28.650 28.738 -0.556 0.000 1.576 573 Q HN 0.355 nan 8.270 nan 0.000 0.515 574 S N 0.017 115.797 115.700 0.133 0.000 2.549 574 S HA 0.698 5.168 4.470 0.000 0.000 0.297 574 S C -0.282 174.494 174.600 0.292 0.000 1.115 574 S CA -0.814 57.569 58.200 0.305 0.000 1.059 574 S CB 1.560 64.906 63.200 0.242 0.000 1.046 574 S HN 0.317 nan 8.310 nan 0.000 0.506 575 L N 1.773 123.087 121.223 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 1.335 121.746 120.570 -0.265 0.000 2.440 576 I HA 0.298 4.468 4.170 0.000 0.000 0.294 576 I C -0.017 175.707 176.117 -0.654 0.000 0.995 576 I CA 0.006 61.020 61.300 -0.477 0.000 1.306 576 I CB 1.081 38.824 38.000 -0.428 0.000 1.407 576 I HN 0.511 nan 8.210 nan 0.000 0.501 577 K N 4.232 123.938 120.400 -1.156 0.000 2.466 577 K HA 0.584 4.904 4.320 0.000 0.000 0.260 577 K C -1.782 174.077 176.600 -1.235 0.000 1.011 577 K CA -0.874 54.711 56.287 -1.171 0.000 0.871 577 K CB 2.339 33.886 32.500 -1.590 0.000 1.404 577 K HN 0.257 nan 8.250 nan 0.000 0.450 578 Y N 0.471 120.619 120.300 -0.253 0.000 2.499 578 Y HA 0.180 4.730 4.550 0.000 0.000 0.347 578 Y C -0.075 176.007 175.900 0.304 0.000 0.987 578 Y CA -1.088 57.048 58.100 0.059 0.000 1.044 578 Y CB 1.376 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 0.102 120.796 120.400 0.490 0.000 2.388 579 D HA 0.055 4.695 4.640 0.000 0.000 0.254 579 D C 0.967 177.389 176.300 0.204 0.000 1.111 579 D CA -0.568 53.611 54.000 0.298 0.000 0.993 579 D CB 0.689 41.592 40.800 0.171 0.000 1.118 579 D HN 0.629 nan 8.370 nan 0.000 0.502 580 E N 0.867 121.138 120.200 0.117 0.000 2.219 580 E HA -0.265 4.085 4.350 0.000 0.000 0.198 580 E C 0.216 176.854 176.600 0.063 0.000 0.998 580 E CA 1.091 57.533 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 1.122 119.868 118.700 0.077 0.000 2.421 581 N HA 0.125 4.865 4.740 0.000 0.000 0.201 581 N C 0.847 176.410 175.510 0.089 0.000 1.198 581 N CA 0.837 53.927 53.050 0.066 0.000 0.838 581 N CB 0.253 38.774 38.487 0.056 0.000 1.011 581 N HN 0.411 nan 8.380 nan 0.000 0.463 582 G N 0.680 109.550 108.800 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 -0.266 44.909 45.100 0.124 0.000 0.824 582 G HN 0.305 nan 8.290 nan 0.000 0.504 583 N N 1.115 120.014 118.700 0.331 0.000 2.438 583 N HA 0.499 5.239 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 -1.488 51.748 53.050 0.309 0.000 0.942 583 N CB 2.056 40.664 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 -0.584 176.641 177.300 -0.125 0.000 1.253 584 P CA -0.365 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 -0.213 120.827 121.300 -0.432 0.000 3.296 585 W HA 0.371 5.031 4.660 0.000 0.000 0.314 585 W C -1.476 174.847 176.519 -0.328 0.000 1.238 585 W CA -0.995 56.123 57.345 -0.379 0.000 1.193 585 W CB 0.194 29.290 29.460 -0.607 0.000 1.383 585 W HN 0.140 nan 8.180 nan 0.000 0.545 586 S N 1.935 117.636 115.700 0.002 0.000 2.488 586 S HA 0.539 5.009 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 -0.160 58.053 58.200 0.021 0.000 1.061 586 S CB 0.891 64.166 63.200 0.125 0.000 0.910 586 S HN 0.655 nan 8.310 nan 0.000 0.491 587 A N 2.817 125.617 122.820 -0.033 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 0.082 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 -1.104 119.523 120.300 0.545 0.000 2.974 588 Y HA 0.749 5.299 4.550 0.000 0.000 0.310 588 Y C 0.592 176.832 175.900 0.568 0.000 1.526 588 Y CA -1.326 57.077 58.100 0.505 0.000 1.087 588 Y CB -0.034 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 0.085 109.266 108.800 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 0.573 45.992 45.100 0.531 0.000 0.888 589 G HN 2.041 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 0.764 46.094 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 0.111 4.751 4.640 0.000 0.000 0.222 591 D C 1.263 177.458 176.300 -0.174 0.000 0.980 591 D CA 0.623 54.712 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 -1.042 119.029 119.950 0.203 0.000 2.698 592 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 1.108 592 F CA -0.358 57.727 58.000 0.141 0.000 1.263 592 F CB 0.516 39.591 39.000 0.126 0.000 1.013 592 F HN -0.078 nan 8.300 nan 0.000 0.532 593 G N 0.601 109.564 108.800 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 -0.067 174.978 174.900 0.242 0.000 0.979 593 G CA 0.322 45.549 45.100 0.212 0.000 0.663 593 G HN 0.461 nan 8.290 nan 0.000 0.533 594 D N 0.531 121.130 120.400 0.332 0.000 2.450 594 D HA 0.403 5.043 4.640 0.000 0.000 0.247 594 D C -0.016 176.417 176.300 0.221 0.000 1.162 594 D CA 0.655 54.837 54.000 0.304 0.000 0.879 594 D CB 1.131 42.173 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 -2.359 172.382 174.700 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 -0.016 0.000 1.276 596 P CA -0.666 62.435 63.100 0.002 0.000 0.801 596 P CB 0.751 32.425 31.700 -0.043 0.000 1.127 597 N N -1.279 117.412 118.700 -0.016 0.000 2.732 597 N HA 0.161 4.901 4.740 0.000 0.000 0.259 597 N C -1.271 174.203 175.510 -0.060 0.000 1.402 597 N CA -0.546 52.479 53.050 -0.041 0.000 0.829 597 N CB 1.320 39.881 38.487 0.124 0.000 1.495 597 N HN 0.211 nan 8.380 nan 0.000 0.511 598 D N 0.210 120.551 120.400 -0.097 0.000 2.772 598 D HA 0.148 4.788 4.640 0.000 0.000 0.272 598 D C 0.594 177.124 176.300 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 0.944 177.240 176.300 -0.007 0.000 0.241 599 R CA 1.455 57.725 56.100 0.284 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 0.642 120.125 119.800 -0.528 0.000 2.437 600 Q HA 0.105 4.445 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 1.532 56.862 55.803 -0.788 0.000 0.903 600 Q CB -0.222 27.922 28.738 -0.990 0.000 0.967 600 Q HN 0.436 nan 8.270 nan 0.000 0.486 601 F N 0.681 120.527 119.950 -0.172 0.000 2.271 601 F HA -0.252 4.275 4.527 0.000 0.000 0.302 601 F C 1.876 177.624 175.800 -0.086 0.000 1.063 601 F CA 1.044 59.032 58.000 -0.020 0.000 1.362 601 F CB -0.441 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 -1.376 117.670 119.300 -0.424 0.000 2.539 602 C HA 0.180 4.640 4.460 0.000 0.000 0.271 602 C C 1.001 175.795 174.990 -0.327 0.000 1.412 602 C CA -0.485 58.135 59.018 -0.662 0.000 1.729 602 C CB -1.895 24.944 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 -0.432 175.753 176.300 -0.191 0.000 1.031 603 M CA 0.233 55.415 55.300 -0.197 0.000 0.981 603 M CB 0.391 32.898 32.600 -0.155 0.000 1.376 603 M HN 0.274 nan 8.290 nan 0.000 0.397 604 N N 1.554 120.139 118.700 -0.191 0.000 2.307 604 N HA 0.168 4.908 4.740 0.000 0.000 0.248 604 N C 0.177 175.483 175.510 -0.341 0.000 1.322 604 N CA -0.127 52.771 53.050 -0.252 0.000 0.861 604 N CB 1.297 39.691 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 0.880 175.316 174.900 -0.774 0.000 1.192 605 G CA -0.505 44.260 45.100 -0.558 0.000 0.921 605 G HN 0.102 nan 8.290 nan 0.000 0.512 606 L N -0.415 120.349 121.223 -0.765 0.000 2.446 606 L HA 0.164 4.504 4.340 0.000 0.000 0.219 606 L C 0.690 176.918 176.870 -1.070 0.000 1.116 606 L CA 0.238 54.629 54.840 -0.748 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 -5.231 113.945 119.914 -1.230 0.000 3.040 607 V HA 0.471 4.591 4.120 0.000 0.000 0.312 607 V C -0.429 175.194 176.094 -0.786 0.000 1.115 607 V CA -1.241 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 1.250 121.061 119.950 -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 0.372 58.344 58.000 -0.046 0.000 1.262 608 F CB 1.407 40.413 39.000 0.010 0.000 1.196 608 F HN 0.813 nan 8.300 nan 0.000 0.583 609 A N 1.216 124.115 122.820 0.132 0.000 1.997 609 A HA -0.294 4.026 4.320 0.000 0.000 0.221 609 A C 1.612 179.159 177.584 -0.062 0.000 1.172 609 A CA 2.182 54.233 52.037 0.022 0.000 0.645 609 A CB -1.148 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 -2.894 117.490 120.400 -0.026 0.000 2.378 610 D HA 0.117 4.757 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 0.363 54.324 54.000 -0.066 0.000 0.905 610 D CB -0.143 40.622 40.800 -0.057 0.000 0.895 610 D HN 0.256 nan 8.370 nan 0.000 0.532 611 R N -1.032 119.446 120.500 -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 1.040 57.097 56.100 -0.071 0.000 0.786 611 R CB -3.109 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 -2.143 112.459 114.554 0.079 0.000 2.779 612 T HA 0.718 5.068 4.350 0.000 0.000 0.280 612 T C -2.471 172.372 174.700 0.238 0.000 0.987 612 T CA -2.422 59.771 62.100 0.156 0.000 0.966 612 T CB 2.435 71.390 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 -0.181 177.162 177.300 0.072 0.000 1.200 613 P CA -0.009 63.076 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 2.934 121.802 119.070 -0.337 0.000 2.508 614 H HA 0.165 4.721 4.556 0.000 0.000 0.344 614 H C -1.190 174.030 175.328 -0.180 0.000 1.192 614 H CA -2.122 53.713 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 1.249 178.545 177.300 -0.007 0.000 1.149 615 P CA 1.276 64.362 63.100 -0.024 0.000 0.817 615 P CB -0.052 31.626 31.700 -0.038 0.000 0.785 616 A N 0.188 123.006 122.820 -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 1.684 53.685 52.037 -0.061 0.000 0.642 616 A CB -1.750 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 0.017 121.204 121.223 -0.060 0.000 2.089 617 L HA -0.208 4.132 4.340 0.000 0.000 0.213 617 L C 2.492 179.397 176.870 0.058 0.000 1.079 617 L CA 2.834 57.669 54.840 -0.008 0.000 0.758 617 L CB -1.010 41.044 42.059 -0.009 0.000 0.891 617 L HN 0.451 nan 8.230 nan 0.000 0.433 618 T N -1.334 113.259 114.554 0.065 0.000 2.737 618 T HA -0.207 4.143 4.350 0.000 0.000 0.265 618 T C 1.713 176.514 174.700 0.168 0.000 1.038 618 T CA 1.356 63.545 62.100 0.149 0.000 1.144 618 T CB -0.237 68.703 68.868 0.120 0.000 0.866 618 T HN 0.364 nan 8.240 nan 0.000 0.434 619 E N 1.548 121.797 120.200 0.081 0.000 2.085 619 E HA -0.121 4.229 4.350 0.000 0.000 0.194 619 E C 2.235 178.863 176.600 0.046 0.000 0.994 619 E CA 1.410 57.867 56.400 0.095 0.000 0.801 619 E CB -0.568 29.152 29.700 0.034 0.000 0.743 619 E HN 0.453 nan 8.360 nan 0.000 0.453 620 A N 0.993 123.739 122.820 -0.123 0.000 1.865 620 A HA -0.286 4.034 4.320 0.000 0.000 0.217 620 A C 2.188 179.695 177.584 -0.128 0.000 1.191 620 A CA 2.219 54.159 52.037 -0.161 0.000 0.623 620 A CB -0.775 18.114 19.000 -0.185 0.000 0.826 620 A HN 0.311 nan 8.150 nan 0.000 0.444 621 K N -1.298 119.090 120.400 -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 2.160 58.437 56.287 -0.017 0.000 0.927 621 K CB -0.381 32.243 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 1.946 176.994 175.328 -0.467 0.000 1.082 622 H CA 1.987 57.687 56.048 -0.580 0.000 1.308 622 H CB -0.107 29.350 29.762 -0.509 0.000 1.375 622 H HN 0.248 nan 8.280 nan 0.000 0.495 623 Q N 0.246 119.749 119.800 -0.495 0.000 2.291 623 Q HA -0.116 4.224 4.340 0.000 0.000 0.206 623 Q C 1.718 177.164 176.000 -0.923 0.000 0.976 623 Q CA 1.348 56.769 55.803 -0.636 0.000 0.875 623 Q CB -0.040 28.439 28.738 -0.433 0.000 0.927 623 Q HN 0.727 nan 8.270 nan 0.000 0.450 624 Q N 0.570 119.832 119.800 -0.897 0.000 2.319 624 Q HA 0.038 4.378 4.340 0.000 0.000 0.202 624 Q C 0.065 175.511 176.000 -0.924 0.000 0.896 624 Q CA -0.265 54.884 55.803 -1.089 0.000 0.942 624 Q CB 0.304 28.425 28.738 -1.029 0.000 1.083 624 Q HN 0.465 nan 8.270 nan 0.000 0.510 625 Q N -0.417 118.979 119.800 -0.672 0.000 2.414 625 Q HA -0.060 4.280 4.340 0.000 0.000 0.288 625 Q C -0.241 175.345 176.000 -0.691 0.000 1.086 625 Q CA 0.408 55.916 55.803 -0.493 0.000 0.943 625 Q CB 0.301 28.907 28.738 -0.220 0.000 1.282 625 Q HN 0.186 nan 8.270 nan 0.000 0.438 626 F N -0.152 119.542 119.950 -0.426 0.000 2.797 626 F HA 0.264 4.791 4.527 0.000 0.000 0.302 626 F C -0.130 175.107 175.800 -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 0.072 119.914 119.950 -0.180 0.000 2.532 627 F HA 0.489 5.016 4.527 0.000 0.000 0.321 627 F C -0.233 175.232 175.800 -0.558 0.000 1.089 627 F CA -1.077 56.731 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 3.080 122.608 119.800 -0.453 0.000 2.353 628 Q HA 0.514 4.854 4.340 0.000 0.000 0.268 628 Q C -1.458 174.198 176.000 -0.573 0.000 1.045 628 Q CA -0.643 54.893 55.803 -0.444 0.000 0.811 628 Q CB 3.055 31.685 28.738 -0.179 0.000 1.305 628 Q HN 0.539 nan 8.270 nan 0.000 0.447 629 F N 0.463 120.538 119.950 0.208 0.000 2.522 629 F HA 0.610 5.137 4.527 0.000 0.000 0.324 629 F C 0.548 176.584 175.800 0.392 0.000 1.077 629 F CA -0.843 57.356 58.000 0.332 0.000 0.944 629 F CB 1.906 41.224 39.000 0.531 0.000 1.175 629 F HN 0.113 nan 8.300 nan 0.000 0.468 630 R N 1.761 122.571 120.500 0.517 0.000 2.628 630 R HA 0.624 4.964 4.340 0.000 0.000 0.288 630 R C -2.004 174.360 176.300 0.107 0.000 0.980 630 R CA -1.174 55.126 56.100 0.334 0.000 0.891 630 R CB 2.668 33.072 30.300 0.174 0.000 1.188 630 R HN 0.554 nan 8.270 nan 0.000 0.450 631 L N 1.375 122.548 121.223 -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 54.653 54.840 -0.457 0.000 0.820 631 L CB 1.948 43.286 42.059 -1.201 0.000 1.247 631 L HN 0.484 nan 8.230 nan 0.000 0.416 632 S N 3.786 119.360 115.700 -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 -0.144 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 1.461 nan 8.310 nan 0.000 0.484 633 G N 4.317 113.031 108.800 -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 0.436 175.235 174.900 -0.169 0.000 1.179 633 G CA 0.715 45.736 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 0.012 175.897 176.000 -0.192 0.000 0.848 634 Q CA 0.667 56.361 55.803 -0.181 0.000 0.974 634 Q CB 0.843 29.492 28.738 -0.149 0.000 1.115 634 Q HN 0.569 nan 8.270 nan 0.000 0.494 635 T N 0.813 115.265 114.554 -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 70.392 68.868 -0.087 0.000 0.943 635 T HN 0.020 nan 8.240 nan 0.000 0.444 636 I N 2.404 122.903 120.570 -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 1.424 39.417 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 0.492 4.842 4.350 0.000 0.000 0.279 637 E C -1.545 175.162 176.600 0.177 0.000 0.965 637 E CA -0.587 55.880 56.400 0.112 0.000 0.789 637 E CB 1.606 31.351 29.700 0.076 0.000 1.098 637 E HN 0.363 nan 8.360 nan 0.000 0.397 638 V N 3.642 123.635 119.914 0.132 0.000 2.555 638 V HA 0.418 4.538 4.120 0.000 0.000 0.302 638 V C -0.158 175.955 176.094 0.031 0.000 1.038 638 V CA -0.703 61.641 62.300 0.072 0.000 0.887 638 V CB 1.911 33.808 31.823 0.123 0.000 0.991 638 V HN 0.726 nan 8.190 nan 0.000 0.434 639 T N 2.548 117.078 114.554 -0.040 0.000 2.861 639 T HA 0.386 4.736 4.350 0.000 0.000 0.287 639 T C -0.297 174.397 174.700 -0.010 0.000 1.003 639 T CA -0.368 61.723 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 0.681 nan 8.240 nan 0.000 0.448 640 S N 1.554 117.255 115.700 0.002 0.000 2.457 640 S HA 0.241 4.711 4.470 0.000 0.000 0.289 640 S C 0.642 175.133 174.600 -0.181 0.000 1.163 640 S CA -0.586 57.559 58.200 -0.091 0.000 1.078 640 S CB 0.491 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 3.431 123.424 120.200 -0.344 0.000 2.451 641 E HA 0.094 4.444 4.350 0.000 0.000 0.194 641 E C -0.861 175.591 176.600 -0.246 0.000 1.027 641 E CA -0.068 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 0.676 nan 8.360 nan 0.000 0.461 642 Y N 0.328 120.520 120.300 -0.182 0.000 2.309 642 Y HA 0.103 4.653 4.550 0.000 0.000 0.327 642 Y C 1.400 177.137 175.900 -0.272 0.000 1.172 642 Y CA -0.310 57.655 58.100 -0.225 0.000 1.280 642 Y CB 0.998 39.302 38.460 -0.260 0.000 1.234 642 Y HN -0.032 nan 8.280 nan 0.000 0.512 643 L N 1.442 122.502 121.223 -0.272 0.000 2.408 643 L HA 0.062 4.402 4.340 0.000 0.000 0.215 643 L C 0.666 177.077 176.870 -0.764 0.000 1.081 643 L CA 0.746 55.172 54.840 -0.689 0.000 0.840 643 L CB 0.050 41.290 42.059 -1.365 0.000 1.002 643 L HN 0.672 nan 8.230 nan 0.000 0.468 644 F N -0.400 119.557 119.950 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 -0.805 57.173 58.000 -0.036 0.000 1.230 644 F CB 0.360 39.314 39.000 -0.076 0.000 1.027 644 F HN -0.106 nan 8.300 nan 0.000 0.607 645 R N -0.074 120.452 120.500 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 55.409 56.100 -0.043 0.000 1.110 645 R CB 0.659 30.832 30.300 -0.212 0.000 1.158 645 R HN 0.055 nan 8.270 nan 0.000 0.543 646 H N -0.414 118.627 119.070 -0.048 0.000 2.502 646 H HA 0.200 4.756 4.556 0.000 0.000 0.338 646 H C -0.309 175.039 175.328 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 31.323 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 -0.318 0.000 3.988 647 S HA -0.069 4.401 4.470 0.000 0.000 0.180 647 S C 0.177 174.860 174.600 0.139 0.000 1.242 647 S CA 0.015 58.229 58.200 0.023 0.000 0.947 647 S CB -0.985 62.229 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 0.423 176.784 176.300 0.101 0.000 1.094 648 D CA -0.199 53.901 54.000 0.168 0.000 0.856 648 D CB -0.232 40.659 40.800 0.151 0.000 0.915 648 D HN 0.465 nan 8.370 nan 0.000 0.517 649 N N 0.011 118.770 118.700 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 0.091 0.000 1.788 649 N CA -0.233 52.864 53.050 0.078 0.000 0.860 649 N CB 0.299 38.822 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 -1.523 175.095 176.600 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 3.536 124.770 121.223 0.017 0.000 2.341 651 L HA 0.544 4.884 4.340 0.000 0.000 0.278 651 L C -1.470 175.425 176.870 0.043 0.000 1.005 651 L CA -0.924 53.944 54.840 0.047 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 5.072 126.380 121.223 0.142 0.000 2.276 652 L HA 0.452 4.792 4.340 0.000 0.000 0.286 652 L C -0.703 176.375 176.870 0.346 0.000 1.024 652 L CA 0.040 54.994 54.840 0.191 0.000 0.826 652 L CB 0.444 42.622 42.059 0.199 0.000 1.211 652 L HN 0.584 nan 8.230 nan 0.000 0.422 653 H N 5.807 124.924 119.070 0.080 0.000 2.467 653 H HA 0.383 4.939 4.556 0.000 0.000 0.326 653 H C -1.119 174.269 175.328 0.100 0.000 1.094 653 H CA -0.736 55.316 56.048 0.006 0.000 1.253 653 H CB 0.945 30.682 29.762 -0.042 0.000 1.439 653 H HN 0.705 nan 8.280 nan 0.000 0.479 654 W N 3.608 124.979 121.300 0.119 0.000 2.929 654 W HA 0.589 5.249 4.660 0.000 0.000 0.345 654 W C -1.482 175.072 176.519 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 1.198 121.168 119.600 0.618 0.000 2.569 655 M HA 0.539 5.019 4.480 0.000 0.000 0.287 655 M C -2.643 173.912 176.300 0.425 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 2.346 122.490 119.914 0.383 0.000 2.513 656 V HA 1.043 5.163 4.120 0.000 0.000 0.299 656 V C -0.188 176.020 176.094 0.190 0.000 1.035 656 V CA 0.049 62.521 62.300 0.287 0.000 0.889 656 V CB 1.294 33.282 31.823 0.274 0.000 0.988 656 V HN 1.150 nan 8.190 nan 0.000 0.440 657 A N 4.102 127.042 122.820 0.201 0.000 2.572 657 A HA 0.863 5.183 4.320 0.000 0.000 0.295 657 A C -1.734 175.976 177.584 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 1.452 122.766 121.223 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 55.189 54.840 0.171 0.000 0.819 658 L CB 0.330 42.454 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 1.588 55.731 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 -1.285 107.509 108.800 -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 0.280 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 2.209 122.589 120.400 -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 0.036 63.131 63.100 -0.008 0.000 0.768 662 P CB 0.686 32.357 31.700 -0.049 0.000 0.848 663 L N 1.301 122.554 121.223 0.049 0.000 2.717 663 L HA 0.538 4.878 4.340 0.000 0.000 0.239 663 L C 0.799 177.713 176.870 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 -0.083 122.798 122.820 0.101 0.000 2.594 664 A HA 0.713 5.033 4.320 0.000 0.000 0.296 664 A C -0.942 176.618 177.584 -0.041 0.000 1.056 664 A CA -0.333 51.777 52.037 0.121 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 -0.359 115.059 115.700 -0.470 0.000 2.627 665 S HA 0.983 5.453 4.470 0.000 0.000 0.283 665 S C -0.072 173.506 174.600 -1.704 0.000 1.127 665 S CA -0.340 57.221 58.200 -1.065 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 -0.196 107.249 108.800 -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 43.590 45.100 -1.520 0.000 0.826 666 G HN 0.621 nan 8.290 nan 0.000 0.491 667 E N -0.539 119.490 120.200 -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 2.592 32.191 29.700 -0.169 0.000 1.180 667 E HN 0.326 nan 8.360 nan 0.000 0.416 668 V N 5.731 125.768 119.914 0.205 0.000 2.668 668 V HA 0.431 4.551 4.120 0.000 0.000 0.304 668 V C -2.425 173.763 176.094 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 0.254 nan 4.420 nan 0.000 0.276 669 P C -0.673 176.683 177.300 0.094 0.000 1.235 669 P CA -0.035 63.126 63.100 0.101 0.000 0.772 669 P CB 0.855 32.611 31.700 0.092 0.000 0.871 670 L N 3.113 124.378 121.223 0.070 0.000 2.350 670 L HA 0.315 4.655 4.340 0.000 0.000 0.275 670 L C 0.510 177.428 176.870 0.080 0.000 1.099 670 L CA 0.231 55.101 54.840 0.050 0.000 0.808 670 L CB 0.574 42.611 42.059 -0.037 0.000 1.149 670 L HN 0.326 nan 8.230 nan 0.000 0.442 671 D N 2.252 122.703 120.400 0.084 0.000 2.429 671 D HA 0.386 5.026 4.640 0.000 0.000 0.255 671 D C -1.329 174.991 176.300 0.034 0.000 1.257 671 D CA -0.062 54.033 54.000 0.158 0.000 0.890 671 D CB 0.986 41.914 40.800 0.214 0.000 1.267 671 D HN 0.101 nan 8.370 nan 0.000 0.521 672 V N 0.521 120.266 119.914 -0.281 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 60.775 62.300 -0.179 0.000 0.885 672 V CB 1.424 33.268 31.823 0.035 0.000 0.999 672 V HN 0.436 nan 8.190 nan 0.000 0.424 673 A N 5.600 128.394 122.820 -0.043 0.000 2.371 673 A HA 0.770 5.090 4.320 0.000 0.000 0.257 673 A C -2.295 175.318 177.584 0.048 0.000 1.089 673 A CA -1.536 50.564 52.037 0.105 0.000 0.794 673 A CB -0.162 18.943 19.000 0.174 0.000 1.029 673 A HN 0.740 nan 8.150 nan 0.000 0.488 674 P HA -0.043 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 0.720 63.836 63.100 0.027 0.000 0.759 674 P CB 0.141 31.839 31.700 -0.004 0.000 0.772 675 Q N -1.238 118.545 119.800 -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 1.378 57.158 55.803 -0.038 0.000 1.208 675 Q CB -2.447 26.260 28.738 -0.051 0.000 1.569 675 Q HN 0.765 nan 8.270 nan 0.000 0.579 676 G N 0.290 109.099 108.800 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 -0.623 174.298 174.900 0.036 0.000 1.240 676 G CA -0.674 44.445 45.100 0.031 0.000 1.002 676 G HN -0.021 nan 8.290 nan 0.000 0.493 677 K N -0.461 119.964 120.400 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 2.379 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 -0.674 55.173 55.803 0.074 0.000 0.792 678 Q CB 1.373 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 5.098 126.356 121.223 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 -0.679 54.187 54.840 0.044 0.000 0.804 679 L CB 1.200 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 3.068 123.654 120.570 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 -0.738 60.569 61.300 0.012 0.000 1.111 680 I CB 2.030 40.057 38.000 0.045 0.000 1.262 680 I HN 0.466 nan 8.210 nan 0.000 0.443 681 E N 6.597 126.773 120.200 -0.040 0.000 2.223 681 E HA 0.390 4.740 4.350 0.000 0.000 0.282 681 E C -0.643 175.887 176.600 -0.116 0.000 1.046 681 E CA -0.304 56.054 56.400 -0.069 0.000 0.857 681 E CB 1.369 31.046 29.700 -0.038 0.000 1.055 681 E HN 0.470 nan 8.360 nan 0.000 0.409 682 L N 6.158 127.274 121.223 -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 52.775 54.840 -0.270 0.000 0.805 682 L CB 1.223 43.043 42.059 -0.397 0.000 1.174 682 L HN 0.233 nan 8.230 nan 0.000 0.434 683 P HA -0.011 nan 4.420 nan 0.000 0.270 683 P C -0.405 176.840 177.300 -0.091 0.000 1.223 683 P CA -0.320 62.739 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 0.999 121.171 120.200 -0.046 0.000 2.529 684 E HA 0.007 4.357 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 0.285 56.658 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 6.074 127.263 121.223 -0.057 0.000 2.357 685 L HA 0.334 4.674 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 0.627 42.642 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 -1.087 176.223 177.300 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 2.325 122.133 119.800 0.013 0.000 2.965 687 Q HA 0.278 4.618 4.340 0.000 0.000 0.288 687 Q C -2.129 173.878 176.000 0.013 0.000 0.974 687 Q CA -1.597 54.211 55.803 0.008 0.000 0.849 687 Q CB 0.101 28.838 28.738 -0.001 0.000 1.280 687 Q HN 0.387 nan 8.270 nan 0.000 0.441 688 P HA -0.064 nan 4.420 nan 0.000 0.267 688 P C 0.048 177.360 177.300 0.019 0.000 1.195 688 P CA 0.147 63.261 63.100 0.024 0.000 0.773 688 P CB 1.270 32.990 31.700 0.034 0.000 0.837 689 E N 0.196 120.408 120.200 0.020 0.000 2.099 689 E HA 0.014 4.364 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 0.493 56.904 56.400 0.018 0.000 0.826 689 E CB -0.591 29.118 29.700 0.016 0.000 0.788 689 E HN 0.530 nan 8.360 nan 0.000 0.461 690 S N 1.530 117.245 115.700 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 0.180 58.399 58.200 0.032 0.000 1.037 690 S CB 0.439 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 1.389 124.234 122.820 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 0.207 52.272 52.037 0.045 0.000 0.807 691 A CB 0.006 19.034 19.000 0.047 0.000 1.047 691 A HN 1.865 nan 8.150 nan 0.000 0.487 692 G N -0.246 108.592 108.800 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 -1.279 173.667 174.900 0.077 0.000 1.298 692 G CA -0.890 44.266 45.100 0.093 0.000 0.940 692 G HN 0.850 nan 8.290 nan 0.000 0.536 693 Q N -0.608 119.270 119.800 0.131 0.000 2.290 693 Q HA 0.595 4.935 4.340 0.000 0.000 0.259 693 Q C -0.667 175.419 176.000 0.143 0.000 0.941 693 Q CA -0.725 55.115 55.803 0.063 0.000 0.912 693 Q CB 2.088 30.901 28.738 0.125 0.000 1.244 693 Q HN 0.497 nan 8.270 nan 0.000 0.441 694 L N 4.028 125.224 121.223 -0.044 0.000 2.264 694 L HA 0.478 4.818 4.340 0.000 0.000 0.289 694 L C -1.784 175.061 176.870 -0.043 0.000 1.044 694 L CA 0.052 54.918 54.840 0.044 0.000 0.807 694 L CB 0.414 42.472 42.059 -0.002 0.000 1.192 694 L HN 0.572 nan 8.230 nan 0.000 0.425 695 W N 5.417 126.782 121.300 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 1.681 31.253 29.460 0.187 0.000 1.416 695 W HN 0.278 nan 8.180 nan 0.000 0.503 696 L N 2.920 124.443 121.223 0.499 0.000 2.295 696 L HA 0.811 5.151 4.340 0.000 0.000 0.285 696 L C -0.376 176.799 176.870 0.508 0.000 1.035 696 L CA 0.097 55.199 54.840 0.437 0.000 0.806 696 L CB 1.340 43.601 42.059 0.336 0.000 1.214 696 L HN 0.368 nan 8.230 nan 0.000 0.426 697 T N 4.842 119.639 114.554 0.405 0.000 2.881 697 T HA 0.644 4.994 4.350 0.000 0.000 0.290 697 T C -0.859 174.022 174.700 0.302 0.000 1.000 697 T CA -0.454 61.837 62.100 0.319 0.000 0.978 697 T CB 1.609 70.599 68.868 0.204 0.000 0.997 697 T HN 0.615 nan 8.240 nan 0.000 0.443 698 V N 1.547 121.594 119.914 0.222 0.000 2.715 698 V HA 0.893 5.013 4.120 0.000 0.000 0.310 698 V C -0.626 175.522 176.094 0.091 0.000 1.054 698 V CA -1.075 61.315 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 -1.713 174.647 176.300 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 3.127 123.121 119.914 0.134 0.000 2.448 700 V HA 0.502 4.622 4.120 0.000 0.000 0.295 700 V C -0.611 175.494 176.094 0.019 0.000 1.025 700 V CA -0.680 61.666 62.300 0.075 0.000 0.859 700 V CB 1.733 33.620 31.823 0.107 0.000 0.988 700 V HN 0.441 nan 8.190 nan 0.000 0.431 701 V N 4.227 124.096 119.914 -0.075 0.000 2.769 701 V HA 0.486 4.606 4.120 0.000 0.000 0.312 701 V C -0.427 175.666 176.094 -0.002 0.000 1.061 701 V CA -0.845 61.404 62.300 -0.084 0.000 0.931 701 V CB 1.997 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 3.879 123.711 119.800 0.052 0.000 2.465 702 Q HA 0.277 4.617 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 1.811 30.622 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 1.404 64.513 63.100 0.015 0.000 0.889 703 P CB 0.263 31.980 31.700 0.027 0.000 0.790 704 N N -0.771 117.925 118.700 -0.007 0.000 2.473 704 N HA 0.435 5.175 4.740 0.000 0.000 0.291 704 N C -0.224 175.243 175.510 -0.072 0.000 1.083 704 N CA -0.631 52.402 53.050 -0.028 0.000 0.951 704 N CB 0.803 39.278 38.487 -0.021 0.000 1.164 704 N HN 0.021 nan 8.380 nan 0.000 0.480 705 A N 0.743 123.511 122.820 -0.087 0.000 2.327 705 A HA 0.536 4.856 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 -0.102 51.842 52.037 -0.156 0.000 0.801 705 A CB 0.062 18.989 19.000 -0.122 0.000 1.062 705 A HN 0.724 nan 8.150 nan 0.000 0.496 706 T N -3.864 110.477 114.554 -0.355 0.000 2.831 706 T HA 0.613 4.963 4.350 0.000 0.000 0.287 706 T C 0.876 175.384 174.700 -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 69.487 68.868 -0.804 0.000 1.264 706 T HN 1.427 nan 8.240 nan 0.000 0.532 707 A N -0.052 122.682 122.820 -0.144 0.000 2.121 707 A HA 0.109 4.429 4.320 0.000 0.000 0.218 707 A C 1.559 179.255 177.584 0.186 0.000 1.154 707 A CA 1.108 53.199 52.037 0.090 0.000 0.679 707 A CB -0.867 18.281 19.000 0.246 0.000 0.795 707 A HN 0.914 nan 8.150 nan 0.000 0.458 708 W N -0.956 120.391 121.300 0.078 0.000 2.714 708 W HA 0.431 5.091 4.660 0.000 0.000 0.353 708 W C -0.173 176.307 176.519 -0.065 0.000 0.999 708 W CA 0.440 57.793 57.345 0.013 0.000 1.629 708 W CB -1.131 28.325 29.460 -0.008 0.000 1.106 708 W HN 0.418 nan 8.180 nan 0.000 0.545 709 S N 0.236 115.450 115.700 -0.811 0.000 2.541 709 S HA 0.415 4.885 4.470 0.000 0.000 0.271 709 S C -0.499 173.835 174.600 -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 -0.371 55.961 56.400 -0.114 0.000 0.932 710 E CB 0.945 30.629 29.700 -0.027 0.000 1.040 710 E HN 0.882 nan 8.360 nan 0.000 0.454 711 A N -0.340 122.452 122.820 -0.046 0.000 2.351 711 A HA 0.468 4.788 4.320 0.000 0.000 0.257 711 A C 0.990 178.583 177.584 0.014 0.000 1.087 711 A CA 0.456 52.478 52.037 -0.024 0.000 0.798 711 A CB 0.019 19.007 19.000 -0.020 0.000 1.033 711 A HN 0.720 nan 8.150 nan 0.000 0.488 712 G N 0.008 108.822 108.800 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 0.103 175.037 174.900 0.058 0.000 1.005 712 G CA 0.739 45.852 45.100 0.023 0.000 0.713 712 G HN 1.626 nan 8.290 nan 0.000 0.515 713 H N 0.173 119.232 119.070 -0.017 0.000 2.732 713 H HA 0.515 5.071 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 -0.633 55.430 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 4.738 125.029 120.570 -0.464 0.000 2.325 714 I HA 0.019 4.189 4.170 0.000 0.000 0.291 714 I C 1.163 177.105 176.117 -0.292 0.000 1.019 714 I CA 0.067 61.212 61.300 -0.258 0.000 1.302 714 I CB 0.628 38.553 38.000 -0.125 0.000 1.401 714 I HN 0.829 nan 8.210 nan 0.000 0.485 715 S N 4.047 119.790 115.700 0.072 0.000 2.505 715 S HA 0.631 5.101 4.470 0.000 0.000 0.216 715 S C 0.560 175.399 174.600 0.399 0.000 1.018 715 S CA 0.168 58.548 58.200 0.300 0.000 0.911 715 S CB 0.616 64.113 63.200 0.494 0.000 0.818 715 S HN 0.738 nan 8.310 nan 0.000 0.497 716 A N 0.498 123.583 122.820 0.443 0.000 2.605 716 A HA 0.652 4.972 4.320 0.000 0.000 0.294 716 A C -1.759 176.162 177.584 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 19.689 19.000 0.486 0.000 1.278 716 A HN 0.896 nan 8.150 nan 0.000 0.410 717 W N 0.108 121.560 121.300 0.252 0.000 3.025 717 W HA 0.821 5.481 4.660 0.000 0.000 0.343 717 W C -1.132 175.409 176.519 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 30.670 29.460 -0.022 0.000 1.463 717 W HN 1.088 nan 8.180 nan 0.000 0.578 718 Q N 1.661 121.482 119.800 0.035 0.000 2.545 718 Q HA 0.341 4.681 4.340 0.000 0.000 0.273 718 Q C -1.636 174.144 176.000 -0.367 0.000 0.975 718 Q CA -0.596 55.060 55.803 -0.245 0.000 0.876 718 Q CB 2.178 30.636 28.738 -0.468 0.000 1.472 718 Q HN 0.678 nan 8.270 nan 0.000 0.389 719 Q N 2.939 122.477 119.800 -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 -0.185 0.000 1.084 719 Q CA -0.599 55.104 55.803 -0.167 0.000 0.801 719 Q CB 1.787 30.614 28.738 0.148 0.000 1.434 719 Q HN 0.670 nan 8.270 nan 0.000 0.419 720 W N 1.506 123.002 121.300 0.327 0.000 3.033 720 W HA 0.468 5.128 4.660 0.000 0.000 0.336 720 W C -0.521 176.051 176.519 0.089 0.000 1.173 720 W CA -0.829 56.644 57.345 0.213 0.000 1.185 720 W CB 2.170 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 2.365 122.815 120.500 -0.085 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 -0.162 55.483 56.100 -0.758 0.000 0.864 721 R CB 0.593 30.069 30.300 -1.375 0.000 1.105 721 R HN 0.593 nan 8.270 nan 0.000 0.463 722 L N 2.726 123.795 121.223 -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 1.030 55.783 54.840 -0.145 0.000 0.749 722 L CB -0.199 41.816 42.059 -0.073 0.000 0.907 722 L HN 0.668 nan 8.230 nan 0.000 0.439 723 A N -0.824 121.883 122.820 -0.188 0.000 2.568 723 A HA 0.652 4.972 4.320 0.000 0.000 0.291 723 A C -1.443 176.050 177.584 -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 20.874 19.000 -0.081 0.000 1.285 723 A HN 0.054 nan 8.150 nan 0.000 0.428 724 E N 0.133 120.276 120.200 -0.096 0.000 2.304 724 E HA 0.425 4.775 4.350 0.000 0.000 0.277 724 E C -1.815 174.768 176.600 -0.029 0.000 0.898 724 E CA -0.631 55.729 56.400 -0.067 0.000 0.764 724 E CB 1.377 31.033 29.700 -0.073 0.000 1.216 724 E HN 0.539 nan 8.360 nan 0.000 0.419 725 N N 4.420 123.116 118.700 -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 52.722 53.050 0.007 0.000 0.921 725 N CB 1.071 39.568 38.487 0.015 0.000 1.136 725 N HN 0.487 nan 8.380 nan 0.000 0.509 726 L N 0.814 122.046 121.223 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 0.291 55.146 54.840 0.025 0.000 0.869 726 L CB 0.508 42.579 42.059 0.021 0.000 1.123 726 L HN 0.353 nan 8.230 nan 0.000 0.484 727 S N 2.054 117.778 115.700 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 57.311 58.200 0.041 0.000 1.054 727 S CB 0.724 63.953 63.200 0.050 0.000 0.956 727 S HN 0.437 nan 8.310 nan 0.000 0.490 728 V N 2.791 122.724 119.914 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 -0.079 62.238 62.300 0.028 0.000 1.191 728 V CB -1.150 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 -0.185 114.388 114.554 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 61.525 62.100 0.031 0.000 1.015 729 T CB 1.984 70.870 68.868 0.030 0.000 1.044 729 T HN 0.220 nan 8.240 nan 0.000 0.520 730 L N 1.739 122.980 121.223 0.029 0.000 2.334 730 L HA 0.568 4.908 4.340 0.000 0.000 0.276 730 L C -2.059 174.828 176.870 0.028 0.000 1.014 730 L CA -2.115 52.742 54.840 0.029 0.000 0.815 730 L CB 0.643 42.717 42.059 0.025 0.000 1.268 730 L HN 0.578 nan 8.230 nan 0.000 0.428 731 P HA 0.271 nan 4.420 nan 0.000 0.267 731 P C -0.476 176.836 177.300 0.020 0.000 1.209 731 P CA -0.337 62.777 63.100 0.024 0.000 0.763 731 P CB 0.859 32.573 31.700 0.025 0.000 0.816 732 A N 3.303 126.133 122.820 0.017 0.000 2.406 732 A HA 0.496 4.816 4.320 0.000 0.000 0.243 732 A C 0.710 178.301 177.584 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 1.079 123.918 122.820 0.032 0.000 2.466 733 A HA 0.499 4.819 4.320 0.000 0.000 0.238 733 A C 0.761 178.337 177.584 -0.012 0.000 1.074 733 A CA 0.456 52.518 52.037 0.041 0.000 0.774 733 A CB -0.363 18.689 19.000 0.087 0.000 1.015 733 A HN 1.545 nan 8.150 nan 0.000 0.498 734 S N 0.154 115.846 115.700 -0.013 0.000 2.593 734 S HA 0.514 4.984 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 0.648 nan 8.310 nan 0.000 0.516 735 H N 0.242 119.322 119.070 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 -0.297 29.471 29.762 0.010 0.000 1.382 735 H HN 0.792 nan 8.280 nan 0.000 0.577 736 A N 0.583 123.464 122.820 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 -1.634 118.963 120.570 0.046 0.000 2.802 737 I HA 0.743 4.913 4.170 0.000 0.000 0.298 737 I C -2.909 173.248 176.117 0.067 0.000 1.176 737 I CA -2.546 58.779 61.300 0.042 0.000 1.025 737 I CB 2.451 40.467 38.000 0.026 0.000 1.243 737 I HN 0.402 nan 8.210 nan 0.000 0.424 738 P HA -0.027 nan 4.420 nan 0.000 0.267 738 P C -1.306 176.086 177.300 0.154 0.000 1.195 738 P CA 0.477 63.636 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 2.035 121.134 119.070 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 54.925 56.048 0.034 0.000 1.213 739 H CB 0.860 30.644 29.762 0.036 0.000 1.431 739 H HN 0.196 nan 8.280 nan 0.000 0.492 740 L N 4.444 125.626 121.223 -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 0.398 55.141 54.840 -0.160 0.000 0.813 740 L CB 1.393 43.397 42.059 -0.090 0.000 1.110 740 L HN 0.747 nan 8.230 nan 0.000 0.466 741 T N 2.545 117.017 114.554 -0.136 0.000 3.548 741 T HA 0.266 4.616 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 -0.555 61.503 62.100 -0.071 0.000 1.041 741 T CB 0.865 69.649 68.868 -0.141 0.000 1.065 741 T HN 0.725 nan 8.240 nan 0.000 0.459 742 T N 2.478 117.113 114.554 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 0.122 0.000 0.993 742 T CA -0.521 61.726 62.100 0.245 0.000 0.994 742 T CB 1.299 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 -1.066 114.678 115.700 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 1.180 64.382 63.200 0.004 0.000 1.178 743 S HN 0.719 nan 8.310 nan 0.000 0.494 744 E N -0.199 119.974 120.200 -0.045 0.000 2.112 744 E HA 0.017 4.367 4.350 0.000 0.000 0.190 744 E C 1.426 177.959 176.600 -0.112 0.000 0.979 744 E CA 0.944 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 0.912 120.456 119.600 -0.092 0.000 2.476 745 M HA 0.101 4.581 4.480 0.000 0.000 0.262 745 M C -0.128 176.086 176.300 -0.144 0.000 1.111 745 M CA 0.808 56.053 55.300 -0.092 0.000 1.127 745 M CB -0.589 31.989 32.600 -0.036 0.000 1.376 745 M HN 0.047 nan 8.290 nan 0.000 0.465 746 D N -1.932 118.358 120.400 -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 -0.200 0.000 1.372 746 D CA -0.708 53.153 54.000 -0.232 0.000 0.862 746 D CB 0.628 41.422 40.800 -0.010 0.000 1.425 746 D HN -0.031 nan 8.370 nan 0.000 0.501 750 E N 4.579 124.913 120.200 0.224 0.000 2.288 750 E HA 0.877 5.227 4.350 0.000 0.000 0.268 750 E C -1.775 174.987 176.600 0.270 0.000 0.885 750 E CA -0.833 55.702 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 0.461 4.801 4.340 0.000 0.000 0.251 751 L C -0.108 176.834 176.870 0.121 0.000 0.971 751 L CA 0.771 55.739 54.840 0.214 0.000 0.990 751 L CB 0.959 43.204 42.059 0.311 0.000 1.320 751 L HN 0.790 nan 8.230 nan 0.000 0.473 752 G N 3.660 112.503 108.800 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 1.011 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 1.430 54.442 53.050 -0.063 0.000 0.904 753 N CB -0.121 38.331 38.487 -0.058 0.000 0.964 753 N HN 0.763 nan 8.380 nan 0.000 0.444 754 K N 0.362 120.679 120.400 -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 -0.176 55.904 56.287 -0.343 0.000 0.958 754 K CB 1.142 33.370 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 31.556 30.300 -0.095 0.000 1.222 755 R HN 0.595 nan 8.270 nan 0.000 0.455 756 W N 3.222 124.621 121.300 0.165 0.000 2.883 756 W HA 0.335 4.995 4.660 0.000 0.000 0.335 756 W C -0.716 175.882 176.519 0.133 0.000 1.083 756 W CA -0.562 56.838 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 0.476 nan 8.180 nan 0.000 0.490 757 Q N 2.478 122.417 119.800 0.232 0.000 2.356 757 Q HA 0.522 4.862 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 1.911 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 2.760 122.798 119.950 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 1.441 40.506 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 0.053 4.793 4.740 0.000 0.000 0.267 759 N C 0.880 176.389 175.510 -0.002 0.000 1.169 759 N CA 0.076 53.164 53.050 0.064 0.000 0.947 759 N CB 0.750 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 2.370 122.792 120.500 -0.129 0.000 2.276 760 R HA -0.063 4.277 4.340 0.000 0.000 0.203 760 R C 1.126 177.350 176.300 -0.127 0.000 1.017 760 R CA 0.999 56.967 56.100 -0.220 0.000 1.010 760 R CB 0.268 30.328 30.300 -0.400 0.000 0.900 760 R HN 0.619 nan 8.270 nan 0.000 0.469 761 Q N -0.659 119.100 119.800 -0.068 0.000 2.204 761 Q HA -0.009 4.331 4.340 0.000 0.000 0.198 761 Q C 2.082 178.061 176.000 -0.035 0.000 0.946 761 Q CA 1.523 57.298 55.803 -0.048 0.000 0.859 761 Q CB 0.346 29.074 28.738 -0.016 0.000 0.946 761 Q HN 0.250 nan 8.270 nan 0.000 0.474 762 S N -1.406 114.299 115.700 0.009 0.000 2.458 762 S HA 0.184 4.654 4.470 0.000 0.000 0.223 762 S C 1.620 176.116 174.600 -0.173 0.000 1.019 762 S CA 0.508 58.735 58.200 0.045 0.000 0.937 762 S CB 0.130 63.481 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 0.372 45.368 45.100 -0.174 0.000 0.670 763 G HN 0.536 nan 8.290 nan 0.000 0.528 764 F N -1.309 118.820 119.950 0.299 0.000 2.541 764 F HA 0.683 5.210 4.527 0.000 0.000 0.331 764 F C 0.512 176.372 175.800 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 1.534 122.852 121.223 0.158 0.000 2.485 765 L HA 0.222 4.562 4.340 0.000 0.000 0.279 765 L C 0.583 177.359 176.870 -0.156 0.000 1.124 765 L CA 0.663 55.212 54.840 -0.485 0.000 0.888 765 L CB 0.119 41.871 42.059 -0.512 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 -1.648 174.043 176.000 -0.516 0.000 0.940 767 Q CA -0.640 54.894 55.803 -0.448 0.000 0.785 767 Q CB 1.408 29.760 28.738 -0.643 0.000 1.467 767 Q HN 0.282 nan 8.270 nan 0.000 0.401 768 M N 0.074 119.224 119.600 -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 -0.687 0.000 1.212 768 M CA -0.330 54.621 55.300 -0.583 0.000 0.910 768 M CB 1.962 34.241 32.600 -0.534 0.000 1.725 768 M HN 0.508 nan 8.290 nan 0.000 0.477 769 W N 3.038 124.109 121.300 -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 2.413 122.987 120.570 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 -0.075 0.000 1.111 770 I CB 1.132 39.058 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 0.612 177.045 176.300 0.222 0.000 1.093 772 D CA 0.214 54.278 54.000 0.108 0.000 0.837 772 D CB 0.245 41.066 40.800 0.036 0.000 0.948 772 D HN 0.482 nan 8.370 nan 0.000 0.507 773 K N 1.025 121.525 120.400 0.167 0.000 2.234 773 K HA 0.284 4.604 4.320 0.000 0.000 0.277 773 K C -0.006 176.565 176.600 -0.050 0.000 1.038 773 K CA -0.469 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 -0.124 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 0.767 177.151 176.600 -0.360 0.000 1.011 774 K CA -0.186 55.757 56.287 -0.573 0.000 0.953 774 K CB 0.689 32.908 32.500 -0.468 0.000 0.956 774 K HN 0.429 nan 8.250 nan 0.000 0.477 775 Q N 1.045 120.603 119.800 -0.404 0.000 2.316 775 Q HA 0.206 4.546 4.340 0.000 0.000 0.235 775 Q C -0.126 175.781 176.000 -0.155 0.000 0.863 775 Q CA 0.429 56.118 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 0.354 121.434 121.223 -0.239 0.000 2.362 776 L HA 0.412 4.752 4.340 0.000 0.000 0.271 776 L C 0.727 177.471 176.870 -0.211 0.000 1.002 776 L CA -0.463 54.263 54.840 -0.190 0.000 0.818 776 L CB 1.663 43.618 42.059 -0.172 0.000 1.298 776 L HN -0.148 nan 8.230 nan 0.000 0.420 777 L N 0.068 121.159 121.223 -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 0.274 42.187 42.059 -0.244 0.000 0.994 777 L HN 0.619 nan 8.230 nan 0.000 0.462 778 T N -0.261 114.171 114.554 -0.204 0.000 2.916 778 T HA 0.419 4.769 4.350 0.000 0.000 0.305 778 T C -2.686 171.959 174.700 -0.091 0.000 1.119 778 T CA -1.276 60.745 62.100 -0.131 0.000 1.008 778 T CB 2.323 71.091 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 3.916 125.147 121.223 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 55.330 54.840 0.054 0.000 0.852 780 L CB -0.780 41.419 42.059 0.235 0.000 1.169 780 L HN 0.463 nan 8.230 nan 0.000 0.452 781 R N 1.958 122.352 120.500 -0.176 0.000 2.799 781 R HA 0.616 4.956 4.340 0.000 0.000 0.270 781 R C -1.085 175.093 176.300 -0.203 0.000 1.010 781 R CA -1.108 54.787 56.100 -0.343 0.000 0.916 781 R CB 0.631 30.369 30.300 -0.937 0.000 1.228 781 R HN 0.373 nan 8.270 nan 0.000 0.469 782 D N 0.898 121.208 120.400 -0.151 0.000 2.423 782 D HA 0.045 4.685 4.640 0.000 0.000 0.238 782 D C -0.637 175.279 176.300 -0.639 0.000 1.142 782 D CA 0.555 54.336 54.000 -0.366 0.000 0.884 782 D CB 0.702 41.294 40.800 -0.347 0.000 1.199 782 D HN 0.351 nan 8.370 nan 0.000 0.438 783 Q N 1.639 120.851 119.800 -0.981 0.000 2.289 783 Q HA 0.309 4.649 4.340 0.000 0.000 0.270 783 Q C -1.210 174.057 176.000 -1.222 0.000 1.038 783 Q CA -0.592 54.690 55.803 -0.869 0.000 0.812 783 Q CB 0.849 29.307 28.738 -0.466 0.000 1.300 783 Q HN 0.562 nan 8.270 nan 0.000 0.427 784 F N 0.575 120.196 119.950 -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 57.505 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 -0.795 113.505 114.554 -0.424 0.000 2.883 785 T HA 0.754 5.104 4.350 0.000 0.000 0.284 785 T C -0.488 173.973 174.700 -0.397 0.000 1.041 785 T CA -0.926 60.837 62.100 -0.562 0.000 1.007 785 T CB 2.585 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 -0.540 119.753 120.500 -0.345 0.000 2.774 786 R HA 0.738 5.078 4.340 0.000 0.000 0.272 786 R C -1.163 175.182 176.300 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 31.726 30.300 -0.106 0.000 1.227 786 R HN 0.823 nan 8.270 nan 0.000 0.468 787 A N 3.388 126.241 122.820 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 -1.555 50.517 52.037 0.059 0.000 0.858 787 A CB -0.468 18.518 19.000 -0.023 0.000 1.117 787 A HN 0.538 nan 8.150 nan 0.000 0.521 788 P HA -0.051 nan 4.420 nan 0.000 0.261 788 P C -0.208 177.194 177.300 0.170 0.000 1.158 788 P CA 0.767 64.017 63.100 0.251 0.000 0.758 788 P CB 0.224 32.097 31.700 0.289 0.000 0.763 789 L N 2.470 123.768 121.223 0.124 0.000 2.454 789 L HA 0.210 4.550 4.340 0.000 0.000 0.256 789 L C 1.856 178.740 176.870 0.024 0.000 1.136 789 L CA -0.585 54.267 54.840 0.019 0.000 0.804 789 L CB 0.070 42.074 42.059 -0.091 0.000 1.181 789 L HN 0.288 nan 8.230 nan 0.000 0.469 790 D N 0.438 120.793 120.400 -0.075 0.000 2.116 790 D HA -0.171 4.469 4.640 0.000 0.000 0.193 790 D C 1.632 177.867 176.300 -0.108 0.000 0.998 790 D CA 1.500 55.391 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 1.193 176.725 175.510 0.036 0.000 1.015 791 N CA 0.784 53.816 53.050 -0.029 0.000 0.862 791 N CB -0.298 38.158 38.487 -0.052 0.000 0.986 791 N HN 0.252 nan 8.380 nan 0.000 0.429 792 D N 0.174 120.611 120.400 0.060 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 0.432 54.510 54.000 0.131 0.000 0.864 792 D CB 0.150 41.105 40.800 0.258 0.000 0.933 792 D HN 0.353 nan 8.370 nan 0.000 0.499 793 I N -0.415 120.201 120.570 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 61.940 61.300 0.059 0.000 1.446 793 I CB -0.149 37.864 38.000 0.021 0.000 1.176 793 I HN 0.072 nan 8.210 nan 0.000 0.446 794 G N 1.420 110.267 108.800 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 0.688 175.755 174.900 0.278 0.000 1.165 794 G CA 0.932 46.141 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 0.951 177.067 176.094 0.037 0.000 1.403 795 V CA 1.026 63.385 62.300 0.099 0.000 1.143 795 V CB 0.331 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 1.321 117.046 115.700 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 0.190 58.401 58.200 0.018 0.000 1.063 796 S CB 0.467 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 1.860 122.068 120.200 0.014 0.000 2.343 797 E HA 0.618 4.968 4.350 0.000 0.000 0.270 797 E C 0.639 177.252 176.600 0.021 0.000 0.895 797 E CA -0.387 56.026 56.400 0.022 0.000 0.767 797 E CB 1.518 31.225 29.700 0.012 0.000 1.248 797 E HN 0.627 nan 8.360 nan 0.000 0.440 798 A N 1.465 124.305 122.820 0.032 0.000 1.903 798 A HA -0.261 4.059 4.320 0.000 0.000 0.219 798 A C 2.116 179.713 177.584 0.022 0.000 1.191 798 A CA 2.792 54.847 52.037 0.031 0.000 0.638 798 A CB -1.236 17.789 19.000 0.041 0.000 0.823 798 A HN 0.752 nan 8.150 nan 0.000 0.451 799 T N -2.328 112.237 114.554 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 1.296 63.403 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 0.547 121.044 120.500 -0.005 0.000 2.402 800 R HA 0.504 4.844 4.340 0.000 0.000 0.290 800 R C -1.119 175.171 176.300 -0.016 0.000 1.321 800 R CA -0.557 55.532 56.100 -0.017 0.000 1.283 800 R CB 0.207 30.488 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 -0.055 4.115 4.170 0.000 0.000 0.284 801 I C 0.238 176.340 176.117 -0.025 0.000 1.124 801 I CA 0.527 61.820 61.300 -0.011 0.000 1.417 801 I CB 0.807 38.804 38.000 -0.006 0.000 1.396 801 I HN 0.398 nan 8.210 nan 0.000 0.571 802 D N 8.674 129.057 120.400 -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 -2.371 51.602 54.000 -0.045 0.000 0.901 802 D CB 1.147 41.923 40.800 -0.039 0.000 1.026 802 D HN 0.133 nan 8.370 nan 0.000 0.515 803 P HA -0.170 nan 4.420 nan 0.000 0.219 803 P C 0.429 177.637 177.300 -0.154 0.000 1.144 803 P CA 1.041 64.083 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 -0.549 118.051 118.700 -0.166 0.000 2.373 804 N HA 0.099 4.839 4.740 0.000 0.000 0.181 804 N C 0.844 176.147 175.510 -0.345 0.000 1.082 804 N CA 0.093 52.989 53.050 -0.257 0.000 0.885 804 N CB -0.067 38.284 38.487 -0.227 0.000 0.977 804 N HN 0.097 nan 8.380 nan 0.000 0.462 805 A N 0.670 123.350 122.820 -0.234 0.000 2.540 805 A HA 0.019 4.339 4.320 0.000 0.000 0.239 805 A C 0.763 178.142 177.584 -0.342 0.000 1.061 805 A CA -0.339 51.566 52.037 -0.220 0.000 0.758 805 A CB -0.012 18.939 19.000 -0.082 0.000 0.991 805 A HN 0.334 nan 8.150 nan 0.000 0.502 806 W N 1.922 122.959 121.300 -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 28.290 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 -0.133 0.000 2.324 807 V HA -0.315 3.805 4.120 0.000 0.000 0.250 807 V C 2.288 178.488 176.094 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 2.352 178.931 176.600 -0.034 0.000 0.991 808 E CA 1.508 57.903 56.400 -0.008 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 -0.393 120.009 120.500 -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 1.067 57.052 56.100 -0.192 0.000 0.963 809 R CB -0.432 29.637 30.300 -0.385 0.000 0.858 809 R HN 0.254 nan 8.270 nan 0.000 0.435 810 W N 2.120 123.378 121.300 -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 57.681 57.345 -0.232 0.000 1.274 810 W CB -0.590 28.869 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 -0.124 4.196 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 1.749 58.224 56.287 0.312 0.000 0.932 811 K CB -0.689 31.941 32.500 0.218 0.000 0.716 811 K HN -0.016 nan 8.250 nan 0.000 0.439 812 A N 1.281 124.147 122.820 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 1.951 54.011 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 -2.065 120.737 122.820 -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 53.357 52.037 -0.035 0.000 0.708 813 A CB -0.812 18.145 19.000 -0.072 0.000 0.805 813 A HN 1.913 nan 8.150 nan 0.000 0.460 814 G N -1.860 106.802 108.800 -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 0.624 175.484 174.900 -0.067 0.000 0.982 814 G CA 0.671 45.437 45.100 -0.558 0.000 0.662 814 G HN 0.722 nan 8.290 nan 0.000 0.527 815 H N -1.239 117.781 119.070 -0.082 0.000 2.353 815 H HA -0.134 4.423 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 1.672 57.679 56.048 -0.069 0.000 1.293 815 H CB 0.033 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 1.644 177.622 175.900 0.131 0.000 1.141 816 Y CA 0.802 58.980 58.100 0.129 0.000 1.308 816 Y CB 0.323 38.846 38.460 0.105 0.000 1.002 816 Y HN 0.402 nan 8.280 nan 0.000 0.551 817 Q N -0.978 118.978 119.800 0.260 0.000 2.063 817 Q HA 0.474 4.814 4.340 0.000 0.000 0.245 817 Q C -0.270 175.905 176.000 0.292 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 1.103 124.104 122.820 0.301 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 0.521 19.723 19.000 0.336 0.000 1.033 818 A HN 0.309 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 -0.068 176.514 176.600 -0.029 0.000 0.930 819 E CA -0.215 56.290 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 2.365 125.046 122.820 -0.231 0.000 2.407 820 A HA 0.600 4.920 4.320 0.000 0.000 0.248 820 A C -0.231 177.181 177.584 -0.288 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 -0.715 0.000 1.020 820 A HN 0.553 nan 8.150 nan 0.000 0.489 821 A N 2.071 124.716 122.820 -0.290 0.000 2.375 821 A HA 0.554 4.874 4.320 0.000 0.000 0.295 821 A C -0.697 176.782 177.584 -0.176 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 1.069 nan 8.150 nan 0.000 0.435 822 L N 3.340 124.439 121.223 -0.207 0.000 2.462 822 L HA 0.206 4.546 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 0.070 54.678 54.840 -0.386 0.000 0.880 822 L CB 0.139 42.000 42.059 -0.330 0.000 1.142 822 L HN 0.835 nan 8.230 nan 0.000 0.473 823 L N 3.642 124.712 121.223 -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 54.953 54.840 -0.127 0.000 0.842 823 L CB 0.204 42.223 42.059 -0.066 0.000 1.033 823 L HN 0.793 nan 8.230 nan 0.000 0.474 824 Q N -0.581 119.122 119.800 -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 2.283 30.997 28.738 -0.041 0.000 1.516 824 Q HN 0.018 nan 8.270 nan 0.000 0.395 825 C N 2.782 122.062 119.300 -0.033 0.000 2.705 825 C HA 0.886 5.346 4.460 0.000 0.000 0.369 825 C C -1.062 173.998 174.990 0.115 0.000 1.069 825 C CA 0.769 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 1.605 124.167 122.820 -0.431 0.000 2.401 827 A HA 0.839 5.159 4.320 0.000 0.000 0.310 827 A C -1.208 176.162 177.584 -0.357 0.000 1.075 827 A CA -0.639 51.035 52.037 -0.605 0.000 0.746 827 A CB 1.437 19.673 19.000 -1.274 0.000 1.277 827 A HN 0.893 nan 8.150 nan 0.000 0.425 828 D N 0.200 120.434 120.400 -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 0.112 174.785 174.700 -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 1.701 122.900 121.223 -0.041 0.000 2.376 830 L HA 0.667 5.007 4.340 0.000 0.000 0.267 830 L C 1.752 178.612 176.870 -0.017 0.000 1.035 830 L CA -0.482 54.341 54.840 -0.028 0.000 0.800 830 L CB 0.128 42.170 42.059 -0.029 0.000 1.290 830 L HN 0.693 nan 8.230 nan 0.000 0.462 831 A N -0.278 122.536 122.820 -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 1.946 53.980 52.037 -0.004 0.000 0.644 831 A CB -0.692 18.308 19.000 -0.001 0.000 0.805 831 A HN 0.857 nan 8.150 nan 0.000 0.449 832 D N -2.575 117.823 120.400 -0.004 0.000 2.500 832 D HA 0.560 5.200 4.640 0.000 0.000 0.217 832 D C 0.262 176.556 176.300 -0.010 0.000 1.159 832 D CA 0.659 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 -0.429 122.378 122.820 -0.022 0.000 2.467 833 A HA 0.636 4.956 4.320 0.000 0.000 0.301 833 A C -1.773 175.776 177.584 -0.057 0.000 1.126 833 A CA -0.765 51.247 52.037 -0.041 0.000 0.632 833 A CB 0.739 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 0.273 120.133 119.914 -0.089 0.000 2.581 834 V HA 0.696 4.816 4.120 0.000 0.000 0.303 834 V C -0.923 175.091 176.094 -0.134 0.000 1.041 834 V CA -0.482 61.748 62.300 -0.117 0.000 0.907 834 V CB 1.371 33.111 31.823 -0.137 0.000 0.994 834 V HN 0.829 nan 8.190 nan 0.000 0.442 835 L N 5.694 126.829 121.223 -0.146 0.000 2.356 835 L HA 0.680 5.021 4.340 0.000 0.000 0.277 835 L C -0.970 175.786 176.870 -0.191 0.000 0.996 835 L CA -0.085 54.677 54.840 -0.131 0.000 0.822 835 L CB 1.476 43.481 42.059 -0.090 0.000 1.256 835 L HN 0.407 nan 8.230 nan 0.000 0.413 836 I N 3.452 123.918 120.570 -0.174 0.000 2.474 836 I HA 0.595 4.765 4.170 0.000 0.000 0.294 836 I C 0.146 176.250 176.117 -0.021 0.000 1.005 836 I CA -0.417 60.746 61.300 -0.229 0.000 1.113 836 I CB 1.786 39.458 38.000 -0.546 0.000 1.289 836 I HN 0.705 nan 8.210 nan 0.000 0.436 837 T N 1.930 116.471 114.554 -0.023 0.000 2.886 837 T HA 0.850 5.200 4.350 0.000 0.000 0.292 837 T C -0.365 174.388 174.700 0.089 0.000 1.012 837 T CA -0.462 61.676 62.100 0.064 0.000 0.982 837 T CB 2.043 70.928 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 -0.752 174.031 174.700 0.138 0.000 1.087 838 T CA -0.823 61.359 62.100 0.136 0.000 1.009 838 T CB 1.647 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 1.318 124.153 122.820 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 -0.068 0.000 1.044 839 A CA -0.769 51.324 52.037 0.093 0.000 0.761 839 A CB 0.668 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 0.099 0.000 2.834 840 H HA 0.878 5.434 4.556 0.000 0.000 0.369 840 H C -0.001 175.344 175.328 0.029 0.000 1.174 840 H CA 0.108 56.123 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 1.028 123.840 122.820 -0.014 0.000 2.398 841 A HA 0.415 4.735 4.320 0.000 0.000 0.301 841 A C -1.500 176.093 177.584 0.016 0.000 1.041 841 A CA -0.730 51.388 52.037 0.134 0.000 0.711 841 A CB 1.176 20.232 19.000 0.093 0.000 1.240 841 A HN 0.549 nan 8.150 nan 0.000 0.420 842 W N 2.098 123.481 121.300 0.138 0.000 2.361 842 W HA 0.450 5.110 4.660 0.000 0.000 0.309 842 W C -0.217 176.274 176.519 -0.047 0.000 1.122 842 W CA -0.173 57.225 57.345 0.089 0.000 1.208 842 W CB 1.585 31.122 29.460 0.128 0.000 1.246 842 W HN 0.768 nan 8.180 nan 0.000 0.490 843 Q N 1.381 121.285 119.800 0.172 0.000 2.496 843 Q HA 0.466 4.806 4.340 0.000 0.000 0.286 843 Q C -0.924 175.190 176.000 0.190 0.000 1.103 843 Q CA -0.943 54.927 55.803 0.112 0.000 0.813 843 Q CB 3.514 32.289 28.738 0.061 0.000 1.444 843 Q HN 0.389 nan 8.270 nan 0.000 0.443 844 H N 1.034 120.121 119.070 0.027 0.000 3.179 844 H HA 0.066 4.622 4.556 0.000 0.000 0.331 844 H C -1.073 174.277 175.328 0.037 0.000 1.013 844 H CA -0.066 56.011 56.048 0.048 0.000 1.430 844 H CB 1.032 30.831 29.762 0.062 0.000 1.895 844 H HN 0.863 nan 8.280 nan 0.000 0.468 845 Q N 3.301 122.873 119.800 -0.380 0.000 2.451 845 Q HA -0.245 4.095 4.340 0.000 0.000 0.305 845 Q C 0.974 176.928 176.000 -0.077 0.000 1.345 845 Q CA 1.173 56.823 55.803 -0.253 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 -0.291 108.484 108.800 -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 0.703 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 1.101 121.518 120.400 0.029 0.000 2.130 847 K HA 0.627 4.947 4.320 0.000 0.000 0.268 847 K C -0.234 176.379 176.600 0.021 0.000 0.983 847 K CA -0.109 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 5.520 120.076 114.554 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 -0.592 61.499 62.100 -0.014 0.000 0.987 848 T CB 0.528 69.410 68.868 0.024 0.000 0.920 848 T HN 0.521 nan 8.240 nan 0.000 0.470 849 L N 2.041 123.086 121.223 -0.297 0.000 2.084 849 L HA 0.334 4.674 4.340 0.000 0.000 0.202 849 L C 0.087 176.509 176.870 -0.746 0.000 1.074 849 L CA 0.989 55.389 54.840 -0.734 0.000 0.757 849 L CB -0.110 41.027 42.059 -1.537 0.000 0.918 849 L HN 0.516 nan 8.230 nan 0.000 0.444 850 F N -1.036 118.870 119.950 -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 -0.685 0.000 1.337 850 F HN -0.310 nan 8.300 nan 0.000 0.474 851 I N 1.392 122.217 120.570 0.425 0.000 2.499 851 I HA 0.316 4.486 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 2.208 40.376 38.000 0.280 0.000 1.238 851 I HN 0.545 nan 8.210 nan 0.000 0.426 852 S N 6.970 123.042 115.700 0.621 0.000 2.552 852 S HA 0.576 5.046 4.470 0.000 0.000 0.314 852 S C -0.727 174.129 174.600 0.427 0.000 1.099 852 S CA -0.659 57.870 58.200 0.547 0.000 1.070 852 S CB 0.752 64.388 63.200 0.727 0.000 0.998 852 S HN 0.576 nan 8.310 nan 0.000 0.474 853 R N 3.619 124.291 120.500 0.286 0.000 2.393 853 R HA 0.536 4.876 4.340 0.000 0.000 0.315 853 R C -0.699 175.680 176.300 0.132 0.000 0.952 853 R CA -0.736 55.490 56.100 0.210 0.000 0.842 853 R CB 1.840 32.237 30.300 0.162 0.000 1.163 853 R HN 0.564 nan 8.270 nan 0.000 0.450 854 K N 0.636 121.107 120.400 0.119 0.000 2.395 854 K HA 0.539 4.859 4.320 0.000 0.000 0.245 854 K C -0.650 175.930 176.600 -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 0.590 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 -0.070 0.000 1.008 855 T CB 0.398 69.255 68.868 -0.019 0.000 1.078 855 T HN 0.407 nan 8.240 nan 0.000 0.459 856 Y N 1.472 121.757 120.300 -0.026 0.000 2.350 856 Y HA 0.706 5.256 4.550 0.000 0.000 0.338 856 Y C 0.434 176.284 175.900 -0.084 0.000 0.961 856 Y CA -1.141 56.952 58.100 -0.012 0.000 1.100 856 Y CB 1.929 40.417 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 31.032 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 -0.278 175.739 176.117 -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 39.174 38.000 -0.524 0.000 1.343 858 I HN 0.740 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 0.240 4.880 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 0.778 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 -1.447 107.350 108.800 -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 1.126 176.030 174.900 0.008 0.000 1.137 860 G CA 0.878 45.983 45.100 0.009 0.000 0.787 860 G HN 0.524 nan 8.290 nan 0.000 0.534 861 S N -1.006 114.698 115.700 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 0.925 59.132 58.200 0.011 0.000 0.912 861 S CB 0.046 63.252 63.200 0.009 0.000 0.776 861 S HN 1.395 nan 8.310 nan 0.000 0.526 862 G N 0.816 109.662 108.800 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 -0.580 119.265 119.800 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 55.313 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 1.889 121.539 119.600 0.084 0.000 2.114 864 M HA 0.533 5.013 4.480 0.000 0.000 0.332 864 M C -1.469 174.927 176.300 0.161 0.000 1.014 864 M CA -0.521 54.815 55.300 0.060 0.000 0.956 864 M CB 1.180 33.820 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 19.522 19.000 0.071 0.000 1.165 865 A HN 0.904 nan 8.150 nan 0.000 0.513 866 I N 1.405 122.006 120.570 0.051 0.000 2.530 866 I HA 0.471 4.641 4.170 0.000 0.000 0.297 866 I C -0.141 175.876 176.117 -0.167 0.000 1.011 866 I CA -0.377 60.866 61.300 -0.095 0.000 1.107 866 I CB 2.402 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 4.861 119.258 114.554 -0.261 0.000 2.879 867 T HA 0.538 4.888 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 61.572 62.100 -0.263 0.000 0.975 867 T CB 1.862 70.671 68.868 -0.098 0.000 0.981 867 T HN 0.245 nan 8.240 nan 0.000 0.439 868 V N 4.183 123.763 119.914 -0.558 0.000 2.588 868 V HA 0.571 4.691 4.120 0.000 0.000 0.304 868 V C -0.785 175.143 176.094 -0.277 0.000 1.042 868 V CA -0.909 61.090 62.300 -0.501 0.000 0.877 868 V CB 2.085 33.342 31.823 -0.944 0.000 0.996 868 V HN 0.844 nan 8.190 nan 0.000 0.425 869 D N 3.349 123.757 120.400 0.012 0.000 2.696 869 D HA 0.536 5.176 4.640 0.000 0.000 0.251 869 D C -1.091 175.347 176.300 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 0.236 0.000 1.334 869 D HN 0.272 nan 8.370 nan 0.000 0.540 870 V N 1.805 121.894 119.914 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 1.750 122.093 120.200 0.238 0.000 2.210 871 E HA 0.651 5.001 4.350 0.000 0.000 0.266 871 E C -1.650 175.083 176.600 0.221 0.000 0.883 871 E CA -0.563 55.958 56.400 0.202 0.000 0.761 871 E CB 2.612 32.414 29.700 0.171 0.000 1.156 871 E HN 0.422 nan 8.360 nan 0.000 0.412 872 V N 2.116 122.160 119.914 0.217 0.000 2.487 872 V HA 0.397 4.517 4.120 0.000 0.000 0.298 872 V C 0.029 176.238 176.094 0.192 0.000 1.028 872 V CA -0.911 61.542 62.300 0.255 0.000 0.860 872 V CB 1.558 33.540 31.823 0.265 0.000 0.991 872 V HN 0.843 nan 8.190 nan 0.000 0.427 873 A N 3.381 126.287 122.820 0.144 0.000 2.546 873 A HA 0.259 4.579 4.320 0.000 0.000 0.243 873 A C 1.632 179.304 177.584 0.147 0.000 1.063 873 A CA 0.665 52.766 52.037 0.106 0.000 0.757 873 A CB 0.239 19.269 19.000 0.050 0.000 0.991 873 A HN 1.380 nan 8.150 nan 0.000 0.503 874 S N 1.309 117.085 115.700 0.127 0.000 2.442 874 S HA -0.149 4.321 4.470 0.000 0.000 0.236 874 S C 0.886 175.573 174.600 0.144 0.000 1.007 874 S CA 1.346 59.635 58.200 0.147 0.000 0.965 874 S CB -0.269 62.994 63.200 0.105 0.000 0.773 874 S HN 0.817 nan 8.310 nan 0.000 0.504 875 D N 0.457 120.921 120.400 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 -2.690 172.135 174.700 0.209 0.000 1.015 876 T CA -2.026 60.182 62.100 0.180 0.000 1.042 876 T CB 1.393 70.399 68.868 0.229 0.000 1.055 876 T HN -0.213 nan 8.240 nan 0.000 0.500 877 P HA 0.196 nan 4.420 nan 0.000 0.271 877 P C -0.597 176.991 177.300 0.481 0.000 1.216 877 P CA -0.216 62.983 63.100 0.166 0.000 0.771 877 P CB 0.112 31.893 31.700 0.135 0.000 0.864 878 H N 3.080 122.490 119.070 0.566 0.000 3.034 878 H HA 0.073 4.629 4.556 0.000 0.000 0.324 878 H C -1.901 173.762 175.328 0.558 0.000 1.015 878 H CA -1.633 54.693 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 0.452 177.670 177.300 -0.138 0.000 1.228 879 P CA -0.298 62.862 63.100 0.101 0.000 0.786 879 P CB 0.770 32.373 31.700 -0.162 0.000 0.927 880 A N 3.486 125.998 122.820 -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 1.572 53.252 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 -3.015 117.158 120.500 -0.545 0.000 2.752 881 R HA 0.689 5.029 4.340 0.000 0.000 0.277 881 R C -1.893 174.170 176.300 -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 1.160 121.529 120.570 -0.335 0.000 2.540 882 I HA 0.641 4.811 4.170 0.000 0.000 0.280 882 I C -0.444 175.433 176.117 -0.401 0.000 1.083 882 I CA -0.443 60.661 61.300 -0.326 0.000 1.080 882 I CB 1.729 39.617 38.000 -0.186 0.000 1.205 882 I HN 1.010 nan 8.210 nan 0.000 0.459 883 G N 5.929 114.451 108.800 -0.463 0.000 2.578 883 G HA2 0.724 4.684 3.960 0.000 0.000 0.302 883 G HA3 0.724 4.684 3.960 0.000 0.000 0.302 883 G C -1.768 172.956 174.900 -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 0.673 121.771 121.223 -0.209 0.000 2.327 884 L HA 0.682 5.022 4.340 0.000 0.000 0.258 884 L C -0.844 175.921 176.870 -0.175 0.000 1.024 884 L CA -1.139 53.600 54.840 -0.168 0.000 0.825 884 L CB 2.637 44.661 42.059 -0.058 0.000 1.386 884 L HN 0.875 nan 8.230 nan 0.000 0.417 885 N N 0.225 118.851 118.700 -0.124 0.000 2.823 885 N HA 0.688 5.428 4.740 0.000 0.000 0.251 885 N C -1.275 174.244 175.510 0.015 0.000 1.392 885 N CA -0.552 52.460 53.050 -0.063 0.000 0.864 885 N CB 2.168 40.634 38.487 -0.036 0.000 1.481 885 N HN 0.884 nan 8.380 nan 0.000 0.508 886 C N -1.923 117.424 119.300 0.079 0.000 3.253 886 C HA 0.567 5.027 4.460 0.000 0.000 0.342 886 C C -1.378 173.531 174.990 -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 28.682 27.740 0.008 0.000 1.479 886 C HN 0.880 nan 8.230 nan 0.000 0.469 887 Q N 1.359 120.869 119.800 -0.484 0.000 2.372 887 Q HA 0.640 4.980 4.340 0.000 0.000 0.259 887 Q C -1.011 174.713 176.000 -0.460 0.000 0.993 887 Q CA -0.423 54.825 55.803 -0.925 0.000 0.854 887 Q CB 0.824 28.637 28.738 -1.542 0.000 1.231 887 Q HN 0.756 nan 8.270 nan 0.000 0.462 888 L N 2.741 123.778 121.223 -0.310 0.000 2.397 888 L HA 0.258 4.598 4.340 0.000 0.000 0.271 888 L C 1.200 177.982 176.870 -0.146 0.000 1.148 888 L CA -0.236 54.527 54.840 -0.129 0.000 0.825 888 L CB 0.963 43.041 42.059 0.032 0.000 1.117 888 L HN 0.819 nan 8.230 nan 0.000 0.456 889 A N 2.543 125.297 122.820 -0.109 0.000 1.969 889 A HA -0.132 4.188 4.320 0.000 0.000 0.218 889 A C 1.132 178.679 177.584 -0.061 0.000 1.169 889 A CA 0.757 52.728 52.037 -0.109 0.000 0.635 889 A CB -0.262 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 -0.597 119.197 119.800 -0.010 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 0.140 nan 8.270 nan 0.000 0.512 891 V N 2.097 121.988 119.914 -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 1.098 32.931 31.823 0.017 0.000 1.015 891 V HN 0.946 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 -0.303 51.629 52.037 -0.176 0.000 0.860 892 A CB 1.496 20.192 19.000 -0.505 0.000 1.367 892 A HN 0.734 nan 8.150 nan 0.000 0.461 893 E N -0.293 119.935 120.200 0.047 0.000 2.060 893 E HA 0.069 4.419 4.350 0.000 0.000 0.189 893 E C 0.614 177.300 176.600 0.143 0.000 0.974 893 E CA 1.022 57.474 56.400 0.086 0.000 0.808 893 E CB 0.140 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 -0.576 120.019 120.500 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 -0.922 55.297 56.100 0.200 0.000 1.045 894 R CB 2.141 32.526 30.300 0.143 0.000 1.178 894 R HN -0.134 nan 8.270 nan 0.000 0.499 895 V N 1.551 121.652 119.914 0.312 0.000 2.623 895 V HA 0.332 4.452 4.120 0.000 0.000 0.304 895 V C -0.654 175.708 176.094 0.447 0.000 1.054 895 V CA -0.948 61.574 62.300 0.371 0.000 0.882 895 V CB 1.914 33.910 31.823 0.287 0.000 1.002 895 V HN 0.719 nan 8.190 nan 0.000 0.424 896 N N 4.067 123.020 118.700 0.423 0.000 2.352 896 N HA 0.549 5.289 4.740 0.000 0.000 0.291 896 N C -1.469 174.311 175.510 0.451 0.000 1.040 896 N CA -0.399 52.871 53.050 0.367 0.000 0.864 896 N CB 2.913 41.508 38.487 0.180 0.000 1.440 896 N HN 0.830 nan 8.380 nan 0.000 0.483 897 W N 3.138 124.496 121.300 0.096 0.000 3.074 897 W HA 0.614 5.274 4.660 0.000 0.000 0.332 897 W C -2.147 174.374 176.519 0.003 0.000 1.253 897 W CA -1.072 56.314 57.345 0.068 0.000 1.180 897 W CB 0.734 30.265 29.460 0.119 0.000 1.445 897 W HN 0.237 nan 8.180 nan 0.000 0.573 898 L N 3.912 125.148 121.223 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 55.081 54.840 -0.256 0.000 0.859 898 L CB 0.756 42.717 42.059 -0.163 0.000 1.224 898 L HN 1.030 nan 8.230 nan 0.000 0.429 899 G N 3.660 112.324 108.800 -0.227 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 -1.586 173.467 174.900 0.255 0.000 1.226 899 G CA -1.010 44.175 45.100 0.142 0.000 0.913 899 G HN 0.369 nan 8.290 nan 0.000 0.483 900 L N 1.524 122.976 121.223 0.382 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 0.112 0.000 1.113 900 L CA 0.510 55.494 54.840 0.239 0.000 0.849 900 L CB 0.441 42.572 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 -2.749 171.286 174.900 -1.441 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 0.209 177.303 177.300 -0.343 0.000 1.211 902 P CA 0.305 62.807 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 -0.526 55.153 55.803 -0.205 0.000 0.936 903 Q CB 0.785 29.430 28.738 -0.155 0.000 1.204 903 Q HN 0.176 nan 8.270 nan 0.000 0.524 904 E N 1.390 121.476 120.200 -0.190 0.000 2.708 904 E HA -0.146 4.204 4.350 0.000 0.000 0.260 904 E C -1.027 175.482 176.600 -0.152 0.000 0.937 904 E CA 0.362 56.641 56.400 -0.201 0.000 0.953 904 E CB 0.199 29.853 29.700 -0.077 0.000 0.915 904 E HN 0.612 nan 8.360 nan 0.000 0.487 905 N N 2.774 121.302 118.700 -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 52.256 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 -0.190 120.021 120.300 -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 0.438 177.677 177.300 -0.101 0.000 1.157 907 P CA 2.210 65.359 63.100 0.080 0.000 0.880 907 P CB 0.181 32.014 31.700 0.221 0.000 0.791 908 D N -2.104 118.038 120.400 -0.430 0.000 2.358 908 D HA 0.007 4.647 4.640 0.000 0.000 0.224 908 D C 0.553 176.713 176.300 -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 1.018 121.479 120.500 -0.064 0.000 2.928 909 R HA 0.213 4.553 4.340 0.000 0.000 0.248 909 R C -0.762 175.573 176.300 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 30.402 30.300 0.031 0.000 1.484 909 R HN 0.117 nan 8.270 nan 0.000 0.623 910 L N -0.890 120.378 121.223 0.074 0.000 3.664 910 L HA 0.289 4.629 4.340 0.000 0.000 0.341 910 L C 1.237 178.170 176.870 0.105 0.000 1.247 910 L CA 0.227 55.108 54.840 0.068 0.000 1.133 910 L CB 0.114 42.196 42.059 0.038 0.000 1.498 910 L HN 0.162 nan 8.230 nan 0.000 0.628 911 T N -2.378 112.266 114.554 0.150 0.000 2.881 911 T HA 0.002 4.352 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 1.390 63.605 62.100 0.192 0.000 1.131 911 T CB -0.293 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 1.282 124.207 122.820 0.176 0.000 2.119 912 A HA 0.676 4.996 4.320 0.000 0.000 0.216 912 A C 1.686 179.367 177.584 0.162 0.000 1.152 912 A CA 0.493 52.604 52.037 0.124 0.000 0.708 912 A CB -0.863 18.321 19.000 0.307 0.000 0.805 912 A HN 0.821 nan 8.150 nan 0.000 0.460 916 D N 3.058 122.876 120.400 -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 -1.305 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 -1.274 174.219 176.300 -1.345 0.000 0.989 917 R CA -0.413 55.012 56.100 -1.126 0.000 0.842 917 R CB 0.504 30.415 30.300 -0.647 0.000 1.119 917 R HN 0.240 nan 8.270 nan 0.000 0.456 918 W N 2.784 123.523 121.300 -0.934 0.000 2.689 918 W HA 0.402 5.062 4.660 0.000 0.000 0.340 918 W C -0.448 175.681 176.519 -0.650 0.000 1.060 918 W CA -0.638 56.101 57.345 -1.009 0.000 1.218 918 W CB 1.568 29.887 29.460 -1.901 0.000 1.410 918 W HN 0.337 nan 8.180 nan 0.000 0.528 919 D N 3.107 123.453 120.400 -0.091 0.000 2.736 919 D HA 0.518 5.158 4.640 0.000 0.000 0.243 919 D C -1.276 175.121 176.300 0.162 0.000 1.304 919 D CA -0.121 53.926 54.000 0.078 0.000 0.934 919 D CB 1.209 42.022 40.800 0.020 0.000 1.382 919 D HN 0.394 nan 8.370 nan 0.000 0.571 920 L N 2.653 124.044 121.223 0.279 0.000 2.397 920 L HA 0.561 4.901 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 0.464 177.842 177.300 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 3.680 124.986 121.223 0.139 0.000 2.085 922 L HA -0.318 4.022 4.340 0.000 0.000 0.218 922 L C 2.189 179.112 176.870 0.088 0.000 1.080 922 L CA 2.849 57.757 54.840 0.114 0.000 0.776 922 L CB -1.528 40.613 42.059 0.135 0.000 0.891 922 L HN 0.450 nan 8.230 nan 0.000 0.437 923 S N -1.812 113.943 115.700 0.090 0.000 2.400 923 S HA -0.193 4.277 4.470 0.000 0.000 0.232 923 S C 1.624 176.295 174.600 0.117 0.000 1.025 923 S CA 1.246 59.508 58.200 0.103 0.000 0.993 923 S CB -0.776 62.474 63.200 0.084 0.000 0.808 923 S HN 0.528 nan 8.310 nan 0.000 0.478 924 D N 1.320 121.771 120.400 0.085 0.000 2.348 924 D HA 0.083 4.723 4.640 0.000 0.000 0.216 924 D C 1.193 177.510 176.300 0.027 0.000 0.970 924 D CA 0.605 54.638 54.000 0.055 0.000 0.889 924 D CB -0.185 40.652 40.800 0.061 0.000 0.912 924 D HN 0.415 nan 8.370 nan 0.000 0.524 925 M N -0.229 119.397 119.600 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 -0.159 120.097 120.300 -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 8.632 122.642 114.554 -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 0.960 69.329 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 -0.429 119.755 120.300 -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 -0.497 57.566 58.100 -0.063 0.000 1.469 929 Y CB 0.494 38.870 38.460 -0.141 0.000 1.242 929 Y HN -0.126 nan 8.280 nan 0.000 0.540 930 V N 4.317 124.420 119.914 0.315 0.000 2.250 930 V HA -0.337 3.783 4.120 0.000 0.000 0.250 930 V C 0.628 176.873 176.094 0.253 0.000 1.060 930 V CA 1.678 64.146 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 3.403 123.388 119.950 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 54.799 58.000 -0.023 0.000 1.120 931 F CB 0.957 39.833 39.000 -0.207 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 -1.228 175.768 177.300 -0.508 0.000 1.238 932 P CA -0.183 62.653 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 -0.354 115.239 115.700 -0.178 0.000 2.656 933 S HA 0.375 4.845 4.470 0.000 0.000 0.265 933 S C -0.834 173.756 174.600 -0.016 0.000 1.132 933 S CA -0.934 57.212 58.200 -0.089 0.000 0.819 933 S CB 0.247 63.431 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 0.336 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 1.139 57.563 56.400 0.039 0.000 0.945 934 E CB -0.315 29.432 29.700 0.077 0.000 0.924 934 E HN 0.835 nan 8.360 nan 0.000 0.467 935 N N 1.178 119.951 118.700 0.123 0.000 3.261 935 N HA 0.466 5.206 4.740 0.000 0.000 0.248 935 N C 0.254 175.809 175.510 0.075 0.000 1.498 935 N CA -0.654 52.509 53.050 0.188 0.000 0.884 935 N CB 0.510 39.090 38.487 0.155 0.000 1.428 935 N HN 0.738 nan 8.380 nan 0.000 0.517 936 G N -1.398 107.410 108.800 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 -0.149 174.502 174.900 -0.414 0.000 0.975 936 G CA 0.565 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 0.971 121.877 121.223 -0.528 0.000 2.506 937 L HA 0.491 4.831 4.340 0.000 0.000 0.281 937 L C 0.732 177.032 176.870 -0.951 0.000 1.228 937 L CA 0.321 54.613 54.840 -0.913 0.000 0.850 937 L CB 0.378 41.587 42.059 -1.417 0.000 1.110 937 L HN 0.313 nan 8.230 nan 0.000 0.496 938 R N 3.854 123.709 120.500 -1.075 0.000 2.532 938 R HA 0.475 4.815 4.340 0.000 0.000 0.297 938 R C -1.066 174.867 176.300 -0.611 0.000 0.984 938 R CA -0.618 54.977 56.100 -0.841 0.000 0.884 938 R CB 0.729 30.489 30.300 -0.900 0.000 1.182 938 R HN 0.618 nan 8.270 nan 0.000 0.442 939 C N -0.439 118.652 119.300 -0.348 0.000 2.380 939 C HA 0.716 5.176 4.460 0.000 0.000 0.393 939 C C 1.363 176.329 174.990 -0.040 0.000 1.284 939 C CA 0.087 58.989 59.018 -0.193 0.000 2.033 939 C CB 0.962 28.616 27.740 -0.144 0.000 2.165 939 C HN 1.057 nan 8.230 nan 0.000 0.540 940 G N 1.692 110.483 108.800 -0.016 0.000 2.338 940 G HA2 -0.167 3.793 3.960 0.000 0.000 0.296 940 G HA3 -0.167 3.793 3.960 0.000 0.000 0.296 940 G C -0.142 174.819 174.900 0.102 0.000 1.040 940 G CA 0.473 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 -0.511 113.973 114.554 -0.116 0.000 2.837 941 T HA 0.560 4.910 4.350 0.000 0.000 0.285 941 T C 1.429 175.833 174.700 -0.495 0.000 0.984 941 T CA -0.528 61.445 62.100 -0.211 0.000 1.049 941 T CB 1.707 70.421 68.868 -0.257 0.000 0.947 941 T HN 0.332 nan 8.240 nan 0.000 0.472 942 R N 0.906 121.323 120.500 -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 0.087 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 1.055 121.324 120.200 0.114 0.000 2.304 943 E HA 0.286 4.636 4.350 0.000 0.000 0.277 943 E C -1.990 174.766 176.600 0.260 0.000 0.898 943 E CA -0.630 55.906 56.400 0.226 0.000 0.764 943 E CB 1.765 31.566 29.700 0.167 0.000 1.216 943 E HN -0.113 nan 8.360 nan 0.000 0.419 944 L N 4.170 125.605 121.223 0.352 0.000 2.410 944 L HA 0.605 4.945 4.340 0.000 0.000 0.270 944 L C -1.933 175.177 176.870 0.400 0.000 0.983 944 L CA -0.445 54.561 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 4.471 123.368 118.700 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 -0.214 53.034 53.050 0.331 0.000 0.864 945 N CB 2.033 40.646 38.487 0.211 0.000 1.370 945 N HN 0.604 nan 8.380 nan 0.000 0.481 946 Y N 1.373 121.853 120.300 0.301 0.000 2.330 946 Y HA 0.448 4.998 4.550 0.000 0.000 0.324 946 Y C 0.577 176.618 175.900 0.235 0.000 1.093 946 Y CA 0.116 58.370 58.100 0.257 0.000 1.103 946 Y CB 0.616 39.252 38.460 0.293 0.000 1.183 946 Y HN 0.840 nan 8.280 nan 0.000 0.433 947 G N 6.492 115.208 108.800 -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 -1.831 173.008 174.900 -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 0.513 177.574 177.300 -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 -0.363 118.661 119.070 -0.076 0.000 2.505 949 H HA 0.513 5.069 4.556 0.000 0.000 0.351 949 H C 0.333 175.439 175.328 -0.369 0.000 1.151 949 H CA -0.127 55.758 56.048 -0.271 0.000 1.339 949 H CB 0.765 30.200 29.762 -0.545 0.000 1.483 949 H HN -0.058 nan 8.280 nan 0.000 0.558 950 Q N 2.112 121.644 119.800 -0.446 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 -0.249 0.000 0.831 950 Q CB 1.669 30.390 28.738 -0.028 0.000 1.322 950 Q HN 0.623 nan 8.270 nan 0.000 0.419 951 W N 3.608 124.910 121.300 0.004 0.000 2.736 951 W HA 0.649 5.309 4.660 0.000 0.000 0.335 951 W C -0.292 176.324 176.519 0.163 0.000 1.059 951 W CA -0.909 56.408 57.345 -0.047 0.000 1.226 951 W CB 2.179 31.423 29.460 -0.359 0.000 1.416 951 W HN 0.524 nan 8.180 nan 0.000 0.505 952 R N 0.602 121.357 120.500 0.425 0.000 2.673 952 R HA 0.729 5.069 4.340 0.000 0.000 0.281 952 R C 0.075 176.652 176.300 0.463 0.000 0.991 952 R CA -0.496 55.864 56.100 0.434 0.000 0.896 952 R CB 2.418 32.884 30.300 0.277 0.000 1.201 952 R HN 0.789 nan 8.270 nan 0.000 0.457 953 G N 0.917 110.015 108.800 0.496 0.000 2.564 953 G HA2 -0.028 3.932 3.960 0.000 0.000 0.139 953 G HA3 -0.028 3.932 3.960 0.000 0.000 0.139 953 G C -1.757 173.310 174.900 0.278 0.000 1.147 953 G CA -0.401 44.947 45.100 0.414 0.000 1.031 953 G HN 0.483 nan 8.290 nan 0.000 0.482 954 D N 0.439 121.025 120.400 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 53.814 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 0.454 nan 8.370 nan 0.000 0.544 955 F N 0.098 120.050 119.950 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 0.720 39.651 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 -1.418 174.688 176.000 0.178 0.000 1.099 956 Q CA -0.556 55.267 55.803 0.035 0.000 0.814 956 Q CB 2.969 31.591 28.738 -0.194 0.000 1.379 956 Q HN 0.957 nan 8.270 nan 0.000 0.436 957 F N -1.275 118.560 119.950 -0.191 0.000 2.779 957 F HA 0.771 5.298 4.527 0.000 0.000 0.316 957 F C -1.838 173.753 175.800 -0.349 0.000 1.164 957 F CA -1.037 56.813 58.000 -0.250 0.000 0.924 957 F CB 1.461 40.325 39.000 -0.226 0.000 1.348 957 F HN 0.642 nan 8.300 nan 0.000 0.467 958 N N 0.892 119.447 118.700 -0.242 0.000 2.494 958 N HA 0.711 5.451 4.740 0.000 0.000 0.270 958 N C -2.188 173.301 175.510 -0.035 0.000 1.285 958 N CA -0.705 52.168 53.050 -0.296 0.000 0.812 958 N CB 2.529 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 0.372 120.902 120.570 -0.067 0.000 2.649 959 I HA 0.659 4.829 4.170 0.000 0.000 0.289 959 I C -1.260 174.810 176.117 -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 6.338 122.017 115.700 -0.034 0.000 2.755 960 S HA 0.554 5.024 4.470 0.000 0.000 0.286 960 S C -0.319 174.244 174.600 -0.061 0.000 1.207 960 S CA -0.964 57.225 58.200 -0.019 0.000 0.892 960 S CB 1.628 64.895 63.200 0.113 0.000 1.240 960 S HN 0.623 nan 8.310 nan 0.000 0.525 961 R N -0.023 120.287 120.500 -0.318 0.000 2.507 961 R HA 0.290 4.630 4.340 0.000 0.000 0.298 961 R C -1.101 174.866 176.300 -0.556 0.000 0.999 961 R CA 0.147 55.975 56.100 -0.453 0.000 1.082 961 R CB -0.488 29.408 30.300 -0.673 0.000 1.246 961 R HN 0.623 nan 8.270 nan 0.000 0.553 962 Y N 0.306 120.611 120.300 0.007 0.000 2.391 962 Y HA 0.233 4.783 4.550 0.000 0.000 0.341 962 Y C 0.704 176.370 175.900 -0.390 0.000 0.965 962 Y CA -1.203 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 1.757 117.122 115.700 -0.557 0.000 2.593 963 S HA 0.066 4.536 4.470 0.000 0.000 0.269 963 S C 0.884 175.176 174.600 -0.514 0.000 1.334 963 S CA -0.636 56.900 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 0.759 nan 8.310 nan 0.000 0.541 964 Q N 0.730 120.232 119.800 -0.497 0.000 2.124 964 Q HA -0.209 4.131 4.340 0.000 0.000 0.202 964 Q C 2.225 178.102 176.000 -0.204 0.000 0.977 964 Q CA 1.875 57.521 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 0.688 120.346 119.800 -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 57.148 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 0.116 119.822 119.800 -0.158 0.000 2.030 966 Q HA -0.200 4.140 4.340 0.000 0.000 0.204 966 Q C 2.294 178.210 176.000 -0.140 0.000 0.986 966 Q CA 1.734 57.464 55.803 -0.122 0.000 0.843 966 Q CB -0.192 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 2.719 179.475 176.870 -0.189 0.000 1.075 967 L CA 1.441 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 -0.514 119.000 119.600 -0.143 0.000 2.229 968 M HA -0.177 4.303 4.480 0.000 0.000 0.264 968 M C 1.727 177.964 176.300 -0.106 0.000 1.063 968 M CA 1.676 56.904 55.300 -0.120 0.000 1.114 968 M CB 0.099 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 -0.652 119.490 120.200 -0.095 0.000 2.474 969 E HA 0.047 4.397 4.350 0.000 0.000 0.194 969 E C -0.232 176.338 176.600 -0.051 0.000 1.041 969 E CA 0.148 56.514 56.400 -0.057 0.000 0.874 969 E CB 0.436 30.114 29.700 -0.037 0.000 0.914 969 E HN 0.347 nan 8.360 nan 0.000 0.498 970 T N 0.254 114.749 114.554 -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 61.645 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 1.481 117.208 115.700 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 0.134 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 0.707 119.813 119.070 0.061 0.000 2.717 972 H HA 0.532 5.088 4.556 0.000 0.000 0.366 972 H C 1.036 176.410 175.328 0.076 0.000 1.132 972 H CA -0.768 55.392 56.048 0.186 0.000 1.180 972 H CB 1.495 31.460 29.762 0.338 0.000 1.678 972 H HN 0.123 nan 8.280 nan 0.000 0.537 973 R N 1.538 122.200 120.500 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 -0.031 4.525 4.556 0.000 0.000 0.292 974 H C 1.435 176.711 175.328 -0.087 0.000 1.068 974 H CA 1.066 57.097 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 0.826 121.753 121.223 -0.494 0.000 2.611 975 L HA 0.255 4.595 4.340 0.000 0.000 0.229 975 L C 0.307 177.096 176.870 -0.135 0.000 1.137 975 L CA -0.147 54.458 54.840 -0.392 0.000 0.901 975 L CB -0.001 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 0.838 121.992 121.223 -0.116 0.000 2.375 976 L HA 0.317 4.657 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 -0.424 54.362 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 1.356 120.508 119.070 0.138 0.000 2.600 977 H HA 0.654 5.210 4.556 0.000 0.000 0.357 977 H C -0.764 174.627 175.328 0.105 0.000 1.106 977 H CA -1.179 54.934 56.048 0.108 0.000 1.193 977 H CB 1.376 31.151 29.762 0.022 0.000 1.594 977 H HN 0.713 nan 8.280 nan 0.000 0.526 978 A N 3.463 126.274 122.820 -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 -0.145 51.703 52.037 -0.314 0.000 0.760 978 A CB 0.065 18.909 19.000 -0.260 0.000 0.995 978 A HN 0.859 nan 8.150 nan 0.000 0.501 979 E N 0.571 120.673 120.200 -0.163 0.000 2.292 979 E HA 0.150 4.500 4.350 0.000 0.000 0.258 979 E C 0.624 177.206 176.600 -0.031 0.000 1.115 979 E CA -0.706 55.707 56.400 0.022 0.000 0.929 979 E CB 0.723 30.528 29.700 0.175 0.000 1.161 979 E HN 0.822 nan 8.360 nan 0.000 0.453 980 E N 0.329 120.518 120.200 -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 58.137 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 0.563 nan 8.360 nan 0.000 0.453 981 G N -1.459 107.220 108.800 -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 -0.693 174.098 174.900 -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 0.488 114.930 114.554 -0.186 0.000 2.812 982 T HA 0.377 4.727 4.350 0.000 0.000 0.282 982 T C -1.487 173.064 174.700 -0.247 0.000 0.990 982 T CA -0.109 61.913 62.100 -0.131 0.000 0.960 982 T CB 1.494 70.395 68.868 0.055 0.000 0.948 982 T HN 0.321 nan 8.240 nan 0.000 0.438 983 W N 3.226 124.442 121.300 -0.139 0.000 2.316 983 W HA 0.607 5.267 4.660 0.000 0.000 0.311 983 W C -0.331 176.074 176.519 -0.189 0.000 1.217 983 W CA -0.730 56.530 57.345 -0.142 0.000 1.199 983 W CB 0.829 30.214 29.460 -0.125 0.000 1.202 983 W HN 0.355 nan 8.180 nan 0.000 0.528 984 L N 5.624 126.908 121.223 0.103 0.000 2.381 984 L HA 0.500 4.840 4.340 0.000 0.000 0.274 984 L C -1.159 175.642 176.870 -0.115 0.000 0.988 984 L CA -0.571 54.199 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 6.968 125.584 118.700 -0.141 0.000 2.407 985 N HA 0.496 5.236 4.740 0.000 0.000 0.277 985 N C -1.188 174.204 175.510 -0.197 0.000 0.995 985 N CA -0.284 52.671 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 -0.641 175.312 176.117 -0.274 0.000 1.007 986 I CA -0.624 60.484 61.300 -0.320 0.000 1.142 986 I CB 1.472 39.135 38.000 -0.563 0.000 1.289 986 I HN 0.157 nan 8.210 nan 0.000 0.453 987 D N 4.527 124.802 120.400 -0.209 0.000 2.217 987 D HA 0.298 4.938 4.640 0.000 0.000 0.243 987 D C 0.988 177.023 176.300 -0.442 0.000 1.054 987 D CA -0.198 53.625 54.000 -0.296 0.000 0.838 987 D CB 2.485 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 1.118 109.374 108.800 -0.906 0.000 2.430 988 G HA2 0.048 4.008 3.960 0.000 0.000 0.216 988 G HA3 0.048 4.008 3.960 0.000 0.000 0.216 988 G C 0.042 174.076 174.900 -1.443 0.000 1.146 988 G CA 0.469 44.752 45.100 -1.362 0.000 0.793 988 G HN 0.386 nan 8.290 nan 0.000 0.537 989 F N -1.803 117.953 119.950 -0.323 0.000 2.641 989 F HA 0.530 5.057 4.527 0.000 0.000 0.308 989 F C -0.729 174.986 175.800 -0.142 0.000 1.105 989 F CA -1.231 56.665 58.000 -0.174 0.000 0.964 989 F CB 1.937 40.789 39.000 -0.246 0.000 1.294 989 F HN -0.076 nan 8.300 nan 0.000 0.442 990 H N 2.731 121.832 119.070 0.053 0.000 2.947 990 H HA 0.408 4.964 4.556 0.000 0.000 0.354 990 H C -1.071 174.289 175.328 0.053 0.000 1.085 990 H CA -0.756 55.288 56.048 -0.007 0.000 1.253 990 H CB 2.366 32.104 29.762 -0.041 0.000 1.757 990 H HN 0.886 nan 8.280 nan 0.000 0.523 991 M N 2.938 122.489 119.600 -0.083 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 0.196 0.000 1.087 991 M CA 0.550 55.875 55.300 0.042 0.000 1.176 991 M CB 0.402 32.925 32.600 -0.129 0.000 1.439 991 M HN 0.684 nan 8.290 nan 0.000 0.452 992 G N 2.276 111.168 108.800 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 -2.591 117.903 120.570 -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 -0.338 37.468 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 0.575 175.466 174.900 -0.015 0.000 1.331 994 G CA 0.140 45.228 45.100 -0.020 0.000 0.890 994 G HN 1.378 nan 8.290 nan 0.000 0.572 995 G N -2.401 106.407 108.800 0.014 0.000 2.559 995 G HA2 0.025 3.985 3.960 0.000 0.000 0.202 995 G HA3 0.025 3.985 3.960 0.000 0.000 0.202 995 G C 0.666 175.615 174.900 0.082 0.000 0.992 995 G CA 0.913 46.032 45.100 0.031 0.000 0.764 995 G HN 0.979 nan 8.290 nan 0.000 0.525 996 D N 1.291 121.755 120.400 0.107 0.000 2.203 996 D HA 0.069 4.709 4.640 0.000 0.000 0.199 996 D C 0.949 177.274 176.300 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 41.015 40.800 0.205 0.000 0.928 996 D HN 0.832 nan 8.370 nan 0.000 0.458 997 D N -3.759 116.468 120.400 -0.288 0.000 2.653 997 D HA 0.283 4.923 4.640 0.000 0.000 0.258 997 D C -0.796 174.998 176.300 -0.844 0.000 1.252 997 D CA -0.723 52.688 54.000 -0.982 0.000 0.777 997 D CB 0.810 40.537 40.800 -1.789 0.000 1.339 997 D HN -0.298 nan 8.370 nan 0.000 0.422 998 S N -0.305 114.714 115.700 -1.135 0.000 2.601 998 S HA 0.233 4.703 4.470 0.000 0.000 0.244 998 S C -0.484 174.197 174.600 0.135 0.000 1.001 998 S CA -0.655 57.426 58.200 -0.198 0.000 0.984 998 S CB -0.523 62.835 63.200 0.263 0.000 0.842 998 S HN 0.610 nan 8.310 nan 0.000 0.474 999 W N 1.237 122.479 121.300 -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 -0.642 56.656 57.345 -0.080 0.000 1.754 999 W CB -0.551 28.799 29.460 -0.183 0.000 1.135 999 W HN 0.154 nan 8.180 nan 0.000 0.531 1000 S N -1.276 114.310 115.700 -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 1.637 64.762 63.200 -0.126 0.000 1.126 1000 S HN -0.207 nan 8.310 nan 0.000 0.464 1001 P HA 0.285 nan 4.420 nan 0.000 0.271 1001 P C 0.290 177.621 177.300 0.052 0.000 1.233 1001 P CA -0.217 62.895 63.100 0.021 0.000 0.764 1001 P CB 0.803 32.437 31.700 -0.109 0.000 0.825 1002 S N 0.776 116.534 115.700 0.097 0.000 2.701 1002 S HA 0.147 4.617 4.470 0.000 0.000 0.242 1002 S C 0.331 175.007 174.600 0.126 0.000 1.025 1002 S CA -0.307 57.934 58.200 0.068 0.000 1.016 1002 S CB -0.219 62.976 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 0.197 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 62.022 62.300 0.194 0.000 0.976 1003 V CB 0.692 32.590 31.823 0.125 0.000 0.993 1003 V HN 0.648 nan 8.190 nan 0.000 0.475 1004 S N 4.450 120.337 115.700 0.313 0.000 2.585 1004 S HA 0.415 4.885 4.470 0.000 0.000 0.273 1004 S C 1.472 176.221 174.600 0.250 0.000 1.339 1004 S CA -0.068 58.300 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 2.039 124.949 122.820 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 2.219 54.318 52.037 0.103 0.000 0.647 1005 A CB -1.358 17.681 19.000 0.065 0.000 0.825 1005 A HN 0.965 nan 8.150 nan 0.000 0.456 1006 E N -0.903 119.197 120.200 -0.167 0.000 2.331 1006 E HA -0.138 4.212 4.350 0.000 0.000 0.199 1006 E C 0.842 177.057 176.600 -0.641 0.000 1.008 1006 E CA 1.186 57.314 56.400 -0.453 0.000 0.843 1006 E CB -0.406 28.830 29.700 -0.775 0.000 0.761 1006 E HN 0.790 nan 8.360 nan 0.000 0.507 1007 F N 0.691 120.690 119.950 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 -0.409 57.639 58.000 0.079 0.000 1.294 1007 F CB 0.241 39.288 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 0.421 4.761 4.340 0.000 0.000 0.252 1008 Q C -0.209 175.819 176.000 0.047 0.000 0.926 1008 Q CA -0.598 55.296 55.803 0.151 0.000 0.899 1008 Q CB 2.027 30.947 28.738 0.303 0.000 1.250 1008 Q HN 0.264 nan 8.270 nan 0.000 0.441 1009 L N 2.406 123.637 121.223 0.013 0.000 2.384 1009 L HA 0.090 4.430 4.340 0.000 0.000 0.258 1009 L C 0.692 177.462 176.870 -0.168 0.000 1.266 1009 L CA -0.050 54.761 54.840 -0.049 0.000 1.162 1009 L CB -0.393 41.532 42.059 -0.222 0.000 1.375 1009 L HN 0.716 nan 8.230 nan 0.000 0.420 1010 S N -1.088 114.455 115.700 -0.263 0.000 2.539 1010 S HA 0.138 4.608 4.470 0.000 0.000 0.221 1010 S C 1.727 176.230 174.600 -0.162 0.000 0.987 1010 S CA 0.183 58.051 58.200 -0.554 0.000 0.929 1010 S CB 0.696 63.596 63.200 -0.500 0.000 0.832 1010 S HN 0.515 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 1.471 53.335 52.037 -0.289 0.000 0.644 1011 A CB -1.337 17.192 19.000 -0.785 0.000 0.805 1011 A HN 1.507 nan 8.150 nan 0.000 0.449 1012 G N -1.599 107.184 108.800 -0.029 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 -0.598 119.762 120.500 -0.234 0.000 2.575 1013 R HA 0.683 5.023 4.340 0.000 0.000 0.293 1013 R C -1.569 174.475 176.300 -0.425 0.000 0.983 1013 R CA -0.650 55.368 56.100 -0.137 0.000 0.887 1013 R CB 1.604 31.864 30.300 -0.068 0.000 1.184 1013 R HN 0.229 nan 8.270 nan 0.000 0.445 1014 Y N 0.154 120.466 120.300 0.020 0.000 2.512 1014 Y HA 0.389 4.939 4.550 0.000 0.000 0.348 1014 Y C -0.401 175.698 175.900 0.331 0.000 0.990 1014 Y CA -0.915 57.204 58.100 0.031 0.000 1.033 1014 Y CB 2.150 40.464 38.460 -0.244 0.000 1.259 1014 Y HN 0.592 nan 8.280 nan 0.000 0.461 1015 H N 2.267 121.658 119.070 0.536 0.000 2.717 1015 H HA 0.662 5.218 4.556 0.000 0.000 0.366 1015 H C -1.750 173.952 175.328 0.623 0.000 1.132 1015 H CA -0.999 55.323 56.048 0.456 0.000 1.180 1015 H CB 1.411 31.326 29.762 0.255 0.000 1.678 1015 H HN 0.596 nan 8.280 nan 0.000 0.537 1016 Y N 1.087 121.093 120.300 -0.489 0.000 2.624 1016 Y HA 0.503 5.053 4.550 0.000 0.000 0.334 1016 Y C -1.991 173.703 175.900 -0.343 0.000 1.155 1016 Y CA -1.064 56.861 58.100 -0.290 0.000 1.046 1016 Y CB 1.279 39.662 38.460 -0.128 0.000 1.316 1016 Y HN 0.658 nan 8.280 nan 0.000 0.457 1017 Q N 3.077 122.834 119.800 -0.072 0.000 2.421 1017 Q HA 0.798 5.138 4.340 0.000 0.000 0.280 1017 Q C -1.811 174.241 176.000 0.087 0.000 1.085 1017 Q CA -1.125 54.644 55.803 -0.057 0.000 0.807 1017 Q CB 3.708 32.474 28.738 0.045 0.000 1.405 1017 Q HN 0.758 nan 8.270 nan 0.000 0.419 1018 L N 0.795 122.057 121.223 0.064 0.000 2.540 1018 L HA 0.678 5.018 4.340 0.000 0.000 0.256 1018 L C -1.605 175.367 176.870 0.171 0.000 1.001 1018 L CA -1.058 53.861 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 1.650 121.699 119.914 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 2.106 34.046 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