REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1jyz_1_O 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 -1.829 112.762 114.554 0.061 0.000 3.113 4 T HA 0.151 4.501 4.350 -0.000 0.000 0.256 4 T C 0.808 175.558 174.700 0.083 0.000 1.131 4 T CA 1.211 63.338 62.100 0.044 0.000 1.074 4 T CB -0.563 68.328 68.868 0.040 0.000 0.944 4 T HN 0.342 nan 8.240 nan 0.000 0.516 5 D N 2.293 122.794 120.400 0.169 0.000 2.340 5 D HA 0.103 4.743 4.640 -0.000 0.000 0.220 5 D C 0.829 177.329 176.300 0.333 0.000 1.039 5 D CA 0.077 54.284 54.000 0.345 0.000 0.866 5 D CB 0.018 41.061 40.800 0.406 0.000 0.913 5 D HN 0.570 nan 8.370 nan 0.000 0.523 6 S N 0.130 115.918 115.700 0.148 0.000 2.548 6 S HA 0.085 4.555 4.470 -0.000 0.000 0.277 6 S C 1.345 175.993 174.600 0.081 0.000 1.315 6 S CA -0.688 57.558 58.200 0.077 0.000 1.050 6 S CB 1.186 64.403 63.200 0.028 0.000 0.918 6 S HN -0.122 nan 8.310 nan 0.000 0.497 7 L N 4.066 125.314 121.223 0.042 0.000 1.997 7 L HA -0.143 4.197 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 2.632 57.502 54.840 0.050 0.000 0.763 7 L CB -1.802 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 -1.441 121.384 122.820 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 -0.002 0.000 1.182 8 A CA 2.509 54.549 52.037 0.005 0.000 0.649 8 A CB -1.101 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 -1.014 118.892 119.914 -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 -0.046 0.000 1.027 9 V CB -0.183 31.617 31.823 -0.039 0.000 0.667 9 V HN 0.352 nan 8.190 nan 0.000 0.457 10 V N 0.843 120.671 119.914 -0.142 0.000 2.231 10 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 10 V C 2.268 178.257 176.094 -0.174 0.000 1.054 10 V CA 2.411 64.521 62.300 -0.317 0.000 1.015 10 V CB -0.774 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 0.264 121.477 121.223 -0.017 0.000 2.633 11 L HA -0.154 4.186 4.340 -0.000 0.000 0.235 11 L C 2.451 179.400 176.870 0.132 0.000 1.163 11 L CA 0.922 55.885 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 2.216 122.019 119.800 0.005 0.000 2.061 12 Q HA -0.219 4.121 4.340 -0.000 0.000 0.204 12 Q C 2.240 178.189 176.000 -0.085 0.000 0.984 12 Q CA 2.097 57.883 55.803 -0.028 0.000 0.846 12 Q CB -0.110 28.597 28.738 -0.051 0.000 0.902 12 Q HN 0.567 nan 8.270 nan 0.000 0.421 13 R N -0.267 120.159 120.500 -0.124 0.000 2.120 13 R HA 0.059 4.399 4.340 -0.000 0.000 0.234 13 R C 0.322 176.430 176.300 -0.320 0.000 1.123 13 R CA 0.904 56.894 56.100 -0.183 0.000 0.975 13 R CB -0.453 29.745 30.300 -0.170 0.000 0.866 13 R HN 0.106 nan 8.270 nan 0.000 0.446 14 R N 1.002 121.210 120.500 -0.486 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 -1.292 0.000 0.651 14 R CB -1.476 28.209 30.300 -1.024 0.000 1.142 14 R HN 0.490 nan 8.270 nan 0.000 0.441 15 D N -0.187 119.923 120.400 -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 1.841 55.638 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 1.734 123.059 121.300 0.042 0.000 3.096 16 W HA 0.116 4.776 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 57.367 57.345 0.224 0.000 1.520 16 W CB -0.197 29.423 29.460 0.266 0.000 1.128 16 W HN -0.177 nan 8.180 nan 0.000 0.707 17 E N 0.943 120.975 120.200 -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 -0.227 56.081 56.400 -0.152 0.000 1.172 17 E CB -0.172 29.463 29.700 -0.109 0.000 1.088 17 E HN 0.108 nan 8.360 nan 0.000 0.463 18 N N 1.210 119.824 118.700 -0.144 0.000 2.594 18 N HA 0.135 4.875 4.740 -0.000 0.000 0.280 18 N C -2.253 173.143 175.510 -0.191 0.000 1.156 18 N CA -1.867 51.065 53.050 -0.196 0.000 0.831 18 N CB 1.460 39.837 38.487 -0.184 0.000 1.379 18 N HN -0.233 nan 8.380 nan 0.000 0.536 19 P HA -0.043 nan 4.420 nan 0.000 0.220 19 P C 1.175 178.253 177.300 -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 -1.223 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 45.189 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 1.352 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 0.388 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 0.130 119.986 119.800 0.094 0.000 2.756 23 Q HA 0.708 5.048 4.340 -0.000 0.000 0.295 23 Q C -2.474 173.650 176.000 0.207 0.000 0.903 23 Q CA -1.110 54.737 55.803 0.073 0.000 0.768 23 Q CB 0.788 29.508 28.738 -0.031 0.000 1.472 23 Q HN 0.076 nan 8.270 nan 0.000 0.416 24 L N 2.530 123.906 121.223 0.255 0.000 2.528 24 L HA 0.534 4.874 4.340 -0.000 0.000 0.267 24 L C -0.831 176.210 176.870 0.285 0.000 0.961 24 L CA -0.010 55.015 54.840 0.308 0.000 0.866 24 L CB 1.419 43.784 42.059 0.510 0.000 1.248 24 L HN 0.883 nan 8.230 nan 0.000 0.404 25 N N 1.164 119.981 118.700 0.195 0.000 2.753 25 N HA -0.237 4.503 4.740 -0.000 0.000 0.251 25 N C 0.527 176.110 175.510 0.123 0.000 1.097 25 N CA 0.845 54.001 53.050 0.176 0.000 0.786 25 N CB -0.670 37.919 38.487 0.170 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 2.438 26 R HA 0.378 4.718 4.340 -0.000 0.000 0.287 26 R C 0.725 176.844 176.300 -0.302 0.000 1.077 26 R CA -0.364 55.391 56.100 -0.575 0.000 1.034 26 R CB 0.571 30.545 30.300 -0.543 0.000 0.993 26 R HN 0.114 nan 8.270 nan 0.000 0.459 27 L N 2.519 123.553 121.223 -0.315 0.000 2.470 27 L HA 0.317 4.657 4.340 -0.000 0.000 0.243 27 L C 0.655 177.480 176.870 -0.077 0.000 1.227 27 L CA -0.601 54.169 54.840 -0.115 0.000 0.824 27 L CB 0.390 42.421 42.059 -0.046 0.000 1.175 27 L HN 0.742 nan 8.230 nan 0.000 0.503 28 A N 0.367 123.191 122.820 0.008 0.000 2.340 28 A HA 0.607 4.927 4.320 -0.000 0.000 0.268 28 A C 0.141 177.790 177.584 0.109 0.000 1.100 28 A CA -0.221 51.839 52.037 0.038 0.000 0.803 28 A CB 0.519 19.559 19.000 0.066 0.000 1.043 28 A HN 0.753 nan 8.150 nan 0.000 0.488 29 A N 1.194 124.028 122.820 0.023 0.000 2.406 29 A HA 0.653 4.973 4.320 -0.000 0.000 0.243 29 A C 0.155 177.740 177.584 0.001 0.000 1.082 29 A CA 0.738 52.729 52.037 -0.076 0.000 0.786 29 A CB -0.175 18.758 19.000 -0.111 0.000 1.029 29 A HN 2.071 nan 8.150 nan 0.000 0.495 30 H N -2.574 116.428 119.070 -0.115 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 -0.345 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 -0.500 0.000 1.256 31 P CA -1.568 61.308 63.100 -0.374 0.000 0.795 31 P CB -0.413 31.042 31.700 -0.408 0.000 1.038 32 P HA 0.105 nan 4.420 nan 0.000 0.262 32 P C -0.787 176.494 177.300 -0.031 0.000 1.199 32 P CA 0.876 63.868 63.100 -0.180 0.000 0.763 32 P CB -0.204 31.483 31.700 -0.022 0.000 0.790 33 F N 1.422 121.494 119.950 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 -0.945 57.117 58.000 0.104 0.000 0.965 33 F CB 1.920 40.941 39.000 0.035 0.000 1.192 33 F HN 0.236 nan 8.300 nan 0.000 0.476 34 A N 0.248 123.077 122.820 0.015 0.000 2.263 34 A HA 0.268 4.588 4.320 -0.000 0.000 0.200 34 A C 0.822 178.173 177.584 -0.388 0.000 1.428 34 A CA 0.539 52.313 52.037 -0.439 0.000 1.050 34 A CB -0.069 18.082 19.000 -1.416 0.000 1.226 34 A HN 0.778 nan 8.150 nan 0.000 0.501 35 S N -0.324 115.272 115.700 -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 -0.050 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 0.624 121.928 121.300 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 0.125 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 1.432 122.088 120.500 0.259 0.000 2.509 37 R HA 0.075 4.415 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 -0.253 118.551 118.700 0.173 0.000 2.336 38 N HA 0.004 4.744 4.740 -0.000 0.000 0.290 38 N C 0.510 176.020 175.510 -0.000 0.000 1.058 38 N CA 0.231 53.330 53.050 0.081 0.000 0.865 38 N CB 2.023 40.552 38.487 0.071 0.000 1.581 38 N HN -0.087 nan 8.380 nan 0.000 0.480 39 S N 3.017 118.689 115.700 -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 1.339 59.462 58.200 -0.129 0.000 1.060 39 S CB -0.392 62.761 63.200 -0.078 0.000 0.974 39 S HN 0.645 nan 8.310 nan 0.000 0.427 40 E N 1.329 121.411 120.200 -0.196 0.000 2.108 40 E HA -0.193 4.157 4.350 -0.000 0.000 0.203 40 E C 2.163 178.590 176.600 -0.289 0.000 1.022 40 E CA 1.773 58.027 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 2.087 178.240 176.600 -0.744 0.000 1.003 41 E CA 1.155 57.415 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 1.621 123.581 122.820 -1.433 0.000 1.917 42 A HA -0.279 4.041 4.320 -0.000 0.000 0.219 42 A C 2.125 179.040 177.584 -1.115 0.000 1.182 42 A CA 2.017 52.651 52.037 -2.339 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 -0.195 119.886 120.500 -0.698 0.000 2.091 43 R HA -0.132 4.208 4.340 -0.000 0.000 0.238 43 R C 1.551 177.598 176.300 -0.422 0.000 1.136 43 R CA 2.087 57.861 56.100 -0.544 0.000 0.959 43 R CB -0.482 29.442 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 0.107 4.457 4.350 -0.000 0.000 0.254 44 T C -0.005 174.628 174.700 -0.112 0.000 1.024 44 T CA 0.152 62.129 62.100 -0.206 0.000 0.920 44 T CB 0.141 68.913 68.868 -0.160 0.000 1.042 44 T HN 0.308 nan 8.240 nan 0.000 0.572 45 D N 1.656 121.958 120.400 -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 -0.451 40.416 40.800 0.112 0.000 1.039 45 D HN 0.437 nan 8.370 nan 0.000 0.423 46 R N -0.243 120.408 120.500 0.252 0.000 2.811 46 R HA 0.565 4.905 4.340 -0.000 0.000 0.237 46 R C -2.001 174.561 176.300 0.437 0.000 1.231 46 R CA -0.840 55.436 56.100 0.294 0.000 1.070 46 R CB -0.750 29.688 30.300 0.229 0.000 1.126 46 R HN 0.173 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 1.955 117.554 115.700 -0.169 0.000 2.554 48 S HA 0.139 4.609 4.470 -0.000 0.000 0.278 48 S C 1.094 175.657 174.600 -0.061 0.000 1.242 48 S CA -0.432 57.618 58.200 -0.249 0.000 1.051 48 S CB 0.596 63.390 63.200 -0.676 0.000 0.986 48 S HN 0.336 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 0.792 176.941 176.000 0.248 0.000 0.933 49 Q CA 0.314 56.196 55.803 0.132 0.000 0.939 49 Q CB -0.325 28.504 28.738 0.152 0.000 1.044 49 Q HN 0.861 nan 8.270 nan 0.000 0.513 50 Q N 0.436 120.303 119.800 0.111 0.000 2.444 50 Q HA 0.166 4.506 4.340 -0.000 0.000 0.206 50 Q C -0.018 176.038 176.000 0.093 0.000 0.948 50 Q CA 0.039 55.891 55.803 0.081 0.000 0.946 50 Q CB -0.035 28.643 28.738 -0.099 0.000 1.027 50 Q HN 0.163 nan 8.270 nan 0.000 0.513 51 L N 1.237 122.526 121.223 0.110 0.000 2.325 51 L HA 0.472 4.812 4.340 -0.000 0.000 0.281 51 L C -1.058 175.899 176.870 0.144 0.000 1.004 51 L CA -0.465 54.429 54.840 0.091 0.000 0.823 51 L CB 1.446 43.483 42.059 -0.036 0.000 1.236 51 L HN -0.082 nan 8.230 nan 0.000 0.415 52 R N 2.643 123.246 120.500 0.172 0.000 2.575 52 R HA 0.443 4.783 4.340 -0.000 0.000 0.293 52 R C -1.014 175.320 176.300 0.058 0.000 0.983 52 R CA -0.482 55.685 56.100 0.113 0.000 0.887 52 R CB 2.220 32.592 30.300 0.121 0.000 1.184 52 R HN 0.709 nan 8.270 nan 0.000 0.445 53 S N 3.234 118.959 115.700 0.042 0.000 2.562 53 S HA 0.302 4.772 4.470 -0.000 0.000 0.275 53 S C 0.870 175.495 174.600 0.042 0.000 1.281 53 S CA -0.511 57.713 58.200 0.040 0.000 1.045 53 S CB 0.582 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 3.413 124.679 121.223 0.071 0.000 2.857 54 L HA 0.287 4.627 4.340 -0.000 0.000 0.249 54 L C 0.031 177.121 176.870 0.367 0.000 1.172 54 L CA -0.320 54.600 54.840 0.134 0.000 0.980 54 L CB -0.463 41.657 42.059 0.102 0.000 1.299 54 L HN 0.531 nan 8.230 nan 0.000 0.535 55 N N 1.654 120.492 118.700 0.229 0.000 2.518 55 N HA 0.492 5.232 4.740 -0.000 0.000 0.266 55 N C 0.658 176.326 175.510 0.264 0.000 1.196 55 N CA 0.739 53.926 53.050 0.228 0.000 0.947 55 N CB 1.771 40.314 38.487 0.093 0.000 1.098 55 N HN 0.296 nan 8.380 nan 0.000 0.450 56 G N 0.538 109.528 108.800 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 -1.419 173.736 174.900 0.423 0.000 1.318 56 G CA -0.792 44.477 45.100 0.283 0.000 1.016 56 G HN 0.459 nan 8.290 nan 0.000 0.469 57 E N -0.319 120.076 120.200 0.325 0.000 2.316 57 E HA 0.496 4.846 4.350 -0.000 0.000 0.275 57 E C -0.945 175.918 176.600 0.439 0.000 1.029 57 E CA 0.059 56.651 56.400 0.320 0.000 0.871 57 E CB 0.662 30.464 29.700 0.170 0.000 1.022 57 E HN 0.384 nan 8.360 nan 0.000 0.418 58 W N 1.585 122.961 121.300 0.125 0.000 3.060 58 W HA 0.437 5.097 4.660 -0.000 0.000 0.346 58 W C -0.504 176.112 176.519 0.162 0.000 1.194 58 W CA -0.692 56.753 57.345 0.167 0.000 1.105 58 W CB 0.949 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 0.345 nan 8.270 nan 0.000 0.447 60 F N 1.378 121.324 119.950 -0.007 0.000 2.546 60 F HA 0.725 5.252 4.527 -0.000 0.000 0.320 60 F C -1.287 174.377 175.800 -0.226 0.000 1.076 60 F CA -0.682 57.172 58.000 -0.243 0.000 0.928 60 F CB 2.042 40.751 39.000 -0.484 0.000 1.189 60 F HN 0.639 nan 8.300 nan 0.000 0.465 61 A N 4.284 126.173 122.820 -1.552 0.000 2.517 61 A HA 0.520 4.840 4.320 -0.000 0.000 0.297 61 A C -2.441 174.300 177.584 -1.406 0.000 1.050 61 A CA -0.521 50.836 52.037 -1.133 0.000 0.694 61 A CB 0.469 19.200 19.000 -0.448 0.000 1.277 61 A HN 0.977 nan 8.150 nan 0.000 0.400 62 W N 2.499 123.062 121.300 -1.230 0.000 2.606 62 W HA 0.797 5.457 4.660 -0.000 0.000 0.332 62 W C -1.984 174.082 176.519 -0.755 0.000 1.052 62 W CA -0.556 56.264 57.345 -0.876 0.000 1.223 62 W CB 1.322 30.451 29.460 -0.551 0.000 1.383 62 W HN 0.502 nan 8.180 nan 0.000 0.524 63 F N 5.538 124.884 119.950 -1.006 0.000 2.591 63 F HA 0.329 4.856 4.527 -0.000 0.000 0.309 63 F C -1.417 173.559 175.800 -1.374 0.000 1.098 63 F CA -2.565 54.971 58.000 -0.774 0.000 0.937 63 F CB 1.547 40.239 39.000 -0.513 0.000 1.250 63 F HN 0.186 nan 8.300 nan 0.000 0.447 64 P HA 0.020 nan 4.420 nan 0.000 0.225 64 P C -0.180 177.023 177.300 -0.162 0.000 1.148 64 P CA 1.146 64.071 63.100 -0.292 0.000 0.779 64 P CB 0.551 32.328 31.700 0.127 0.000 0.780 65 A N -1.286 121.444 122.820 -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 -1.075 50.900 52.037 -0.103 0.000 0.682 65 A CB 0.600 19.601 19.000 0.001 0.000 1.278 65 A HN -0.281 nan 8.150 nan 0.000 0.410 66 P HA -0.160 nan 4.420 nan 0.000 0.215 66 P C 1.021 178.208 177.300 -0.190 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 0.746 120.903 120.200 -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 1.577 57.962 56.400 -0.025 0.000 0.810 67 E CB -1.229 28.493 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 -0.001 52.025 52.037 -0.019 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 1.016 120.691 119.914 -0.399 0.000 2.834 69 V HA 0.290 4.410 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 1.051 32.307 31.823 -0.945 0.000 1.021 69 V HN 0.263 nan 8.190 nan 0.000 0.480 70 P HA 0.437 nan 4.420 nan 0.000 0.306 70 P C 0.177 177.478 177.300 0.002 0.000 1.385 70 P CA -0.598 62.478 63.100 -0.041 0.000 0.915 70 P CB 1.795 33.513 31.700 0.031 0.000 1.013 71 E N 1.447 121.631 120.200 -0.026 0.000 2.187 71 E HA -0.211 4.139 4.350 -0.000 0.000 0.199 71 E C 1.515 178.082 176.600 -0.056 0.000 1.004 71 E CA 2.143 58.511 56.400 -0.053 0.000 0.813 71 E CB -0.215 29.455 29.700 -0.049 0.000 0.736 71 E HN 0.387 nan 8.360 nan 0.000 0.468 72 S N -0.101 115.593 115.700 -0.010 0.000 2.387 72 S HA -0.243 4.227 4.470 -0.000 0.000 0.230 72 S C 1.452 176.045 174.600 -0.013 0.000 1.035 72 S CA 1.203 59.399 58.200 -0.007 0.000 1.014 72 S CB -0.787 62.433 63.200 0.033 0.000 0.836 72 S HN 0.551 nan 8.310 nan 0.000 0.466 73 W N 2.642 123.858 121.300 -0.140 0.000 2.292 73 W HA -0.187 4.473 4.660 -0.000 0.000 0.304 73 W C 1.640 178.048 176.519 -0.186 0.000 1.228 73 W CA 1.134 58.386 57.345 -0.156 0.000 1.241 73 W CB -0.685 28.649 29.460 -0.210 0.000 1.142 73 W HN 0.248 nan 8.180 nan 0.000 0.520 74 L N 0.040 120.972 121.223 -0.486 0.000 2.083 74 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 74 L C 2.607 179.203 176.870 -0.456 0.000 1.083 74 L CA 1.538 55.965 54.840 -0.688 0.000 0.752 74 L CB -0.715 41.012 42.059 -0.553 0.000 0.899 74 L HN -0.048 nan 8.230 nan 0.000 0.433 75 E N -1.247 118.786 120.200 -0.278 0.000 2.079 75 E HA 0.069 4.419 4.350 -0.000 0.000 0.191 75 E C 0.353 176.865 176.600 -0.147 0.000 0.961 75 E CA 0.448 56.744 56.400 -0.174 0.000 0.823 75 E CB 0.110 29.747 29.700 -0.105 0.000 0.789 75 E HN 0.318 nan 8.360 nan 0.000 0.459 76 C N 1.917 121.147 119.300 -0.116 0.000 2.507 76 C HA 0.361 4.821 4.460 -0.000 0.000 0.319 76 C C 0.196 175.180 174.990 -0.009 0.000 1.208 76 C CA -1.272 57.712 59.018 -0.057 0.000 1.619 76 C CB 1.566 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 1.271 121.681 120.400 0.016 0.000 2.378 77 D HA 0.217 4.857 4.640 -0.000 0.000 0.238 77 D C -0.126 176.249 176.300 0.125 0.000 1.180 77 D CA 0.443 54.500 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 2.458 123.782 121.223 0.168 0.000 2.416 78 L HA 0.217 4.557 4.340 -0.000 0.000 0.262 78 L C -1.198 175.713 176.870 0.070 0.000 1.093 78 L CA -1.547 53.364 54.840 0.118 0.000 0.801 78 L CB 0.637 42.771 42.059 0.125 0.000 1.191 78 L HN 0.268 nan 8.230 nan 0.000 0.459 79 P HA -0.036 nan 4.420 nan 0.000 0.216 79 P C 0.587 177.900 177.300 0.021 0.000 1.156 79 P CA 0.895 64.013 63.100 0.031 0.000 0.855 79 P CB 0.226 31.940 31.700 0.023 0.000 0.786 80 E N 0.123 120.329 120.200 0.009 0.000 2.494 80 E HA 0.245 4.595 4.350 -0.000 0.000 0.193 80 E C 0.762 177.353 176.600 -0.015 0.000 1.074 80 E CA -0.089 56.304 56.400 -0.013 0.000 0.867 80 E CB -0.757 28.917 29.700 -0.043 0.000 0.924 80 E HN 0.178 nan 8.360 nan 0.000 0.502 81 A N 1.261 124.086 122.820 0.009 0.000 2.445 81 A HA 0.135 4.455 4.320 -0.000 0.000 0.242 81 A C -0.033 177.581 177.584 0.051 0.000 1.075 81 A CA -0.237 51.808 52.037 0.013 0.000 0.777 81 A CB 0.373 19.408 19.000 0.059 0.000 1.013 81 A HN 0.052 nan 8.150 nan 0.000 0.493 82 D N 0.204 120.657 120.400 0.087 0.000 2.326 82 D HA 0.430 5.070 4.640 -0.000 0.000 0.248 82 D C -0.669 175.720 176.300 0.148 0.000 1.001 82 D CA -0.068 54.012 54.000 0.132 0.000 0.961 82 D CB 1.634 42.568 40.800 0.223 0.000 1.183 82 D HN 0.428 nan 8.370 nan 0.000 0.502 83 T N 0.912 115.539 114.554 0.122 0.000 2.767 83 T HA 0.449 4.799 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 1.041 69.969 68.868 0.100 0.000 0.927 83 T HN 0.047 nan 8.240 nan 0.000 0.456 84 V N 3.423 123.435 119.914 0.164 0.000 3.040 84 V HA 0.540 4.660 4.120 -0.000 0.000 0.312 84 V C -0.319 175.878 176.094 0.172 0.000 1.115 84 V CA -0.923 61.443 62.300 0.110 0.000 0.998 84 V CB 2.435 34.307 31.823 0.083 0.000 1.042 84 V HN 0.633 nan 8.190 nan 0.000 0.433 85 V N 2.374 122.360 119.914 0.121 0.000 2.481 85 V HA 0.542 4.662 4.120 -0.000 0.000 0.286 85 V C -0.212 175.930 176.094 0.080 0.000 1.042 85 V CA -0.427 61.949 62.300 0.127 0.000 0.928 85 V CB 1.564 33.435 31.823 0.081 0.000 0.986 85 V HN 0.556 nan 8.190 nan 0.000 0.462 86 V N 6.781 126.689 119.914 -0.011 0.000 2.604 86 V HA 0.518 4.638 4.120 -0.000 0.000 0.305 86 V C -2.274 173.738 176.094 -0.136 0.000 1.043 86 V CA -1.737 60.440 62.300 -0.205 0.000 0.888 86 V CB 2.691 34.065 31.823 -0.750 0.000 0.995 86 V HN 0.786 nan 8.190 nan 0.000 0.429 87 P HA 0.579 nan 4.420 nan 0.000 0.278 87 P C -0.969 176.284 177.300 -0.079 0.000 1.258 87 P CA -0.282 62.727 63.100 -0.152 0.000 0.811 87 P CB 1.520 33.136 31.700 -0.141 0.000 1.063 88 S N -0.349 115.325 115.700 -0.043 0.000 2.643 88 S HA 0.391 4.861 4.470 -0.000 0.000 0.266 88 S C -1.486 173.084 174.600 -0.050 0.000 1.130 88 S CA -1.014 57.158 58.200 -0.048 0.000 0.817 88 S CB 0.122 63.310 63.200 -0.019 0.000 1.107 88 S HN 0.333 nan 8.310 nan 0.000 0.471 89 N N 1.141 119.731 118.700 -0.183 0.000 2.444 89 N HA 0.424 5.164 4.740 -0.000 0.000 0.262 89 N C 0.528 175.897 175.510 -0.234 0.000 0.974 89 N CA -0.754 52.161 53.050 -0.225 0.000 0.933 89 N CB 0.713 39.024 38.487 -0.293 0.000 1.137 89 N HN 0.817 nan 8.380 nan 0.000 0.498 90 W N 3.065 124.240 121.300 -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 -0.192 0.000 1.236 90 W CB -0.440 28.825 29.460 -0.325 0.000 1.130 90 W HN 0.498 nan 8.180 nan 0.000 0.541 91 Q N 0.246 120.058 119.800 0.020 0.000 2.291 91 Q HA -0.122 4.218 4.340 -0.000 0.000 0.206 91 Q C 2.053 178.036 176.000 -0.029 0.000 0.976 91 Q CA 1.676 57.506 55.803 0.046 0.000 0.875 91 Q CB -0.630 28.008 28.738 -0.166 0.000 0.927 91 Q HN 0.242 nan 8.270 nan 0.000 0.450 92 M N -0.891 118.614 119.600 -0.159 0.000 2.630 92 M HA -0.038 4.442 4.480 -0.000 0.000 0.254 92 M C 0.414 176.686 176.300 -0.046 0.000 1.092 92 M CA 1.244 56.431 55.300 -0.190 0.000 1.087 92 M CB -0.531 31.887 32.600 -0.303 0.000 1.453 92 M HN 0.336 nan 8.290 nan 0.000 0.509 93 H N -1.358 117.785 119.070 0.122 0.000 2.592 93 H HA 0.354 4.910 4.556 -0.000 0.000 0.279 93 H C 1.257 176.511 175.328 -0.122 0.000 1.089 93 H CA 0.090 56.192 56.048 0.090 0.000 1.150 93 H CB 0.467 30.429 29.762 0.332 0.000 1.575 93 H HN 0.502 nan 8.280 nan 0.000 0.547 94 G N 0.623 109.463 108.800 0.067 0.000 2.179 94 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.260 94 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.260 94 G C 0.519 175.329 174.900 -0.150 0.000 0.977 94 G CA 0.605 45.660 45.100 -0.075 0.000 0.641 94 G HN 0.470 nan 8.290 nan 0.000 0.533 95 Y N 1.814 122.150 120.300 0.060 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 -0.296 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 0.663 nan 8.280 nan 0.000 0.521 96 D N -2.430 118.118 120.400 0.247 0.000 2.768 96 D HA 0.512 5.152 4.640 -0.000 0.000 0.327 96 D C -1.157 175.279 176.300 0.227 0.000 1.302 96 D CA -0.768 53.377 54.000 0.242 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 19.241 19.000 0.246 0.000 1.064 97 A HN 0.488 nan 8.150 nan 0.000 0.489 98 P HA 0.506 nan 4.420 nan 0.000 0.288 98 P C -0.857 176.578 177.300 0.224 0.000 1.267 98 P CA -0.009 63.030 63.100 -0.101 0.000 0.815 98 P CB 0.885 32.236 31.700 -0.581 0.000 0.989 99 I N 2.236 123.034 120.570 0.380 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 -0.979 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 5.331 125.612 120.300 -0.032 0.000 2.686 100 Y HA 0.430 4.980 4.550 -0.000 0.000 0.331 100 Y C -0.383 175.365 175.900 -0.255 0.000 0.996 100 Y CA -0.523 57.298 58.100 -0.465 0.000 1.293 100 Y CB 0.842 38.413 38.460 -1.481 0.000 1.092 100 Y HN 0.675 nan 8.280 nan 0.000 0.524 101 T N 0.963 114.981 114.554 -0.893 0.000 2.930 101 T HA 0.335 4.685 4.350 -0.000 0.000 0.290 101 T C 0.202 174.369 174.700 -0.889 0.000 1.052 101 T CA -0.810 60.794 62.100 -0.827 0.000 1.017 101 T CB 2.334 70.942 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 1.171 176.383 175.510 -0.497 0.000 1.037 102 N CA 0.172 52.916 53.050 -0.509 0.000 0.999 102 N CB 0.416 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 0.916 120.473 119.914 -0.595 0.000 2.521 103 V HA 0.087 4.207 4.120 -0.000 0.000 0.239 103 V C 0.613 176.369 176.094 -0.563 0.000 1.053 103 V CA 0.769 62.640 62.300 -0.715 0.000 1.073 103 V CB -0.094 31.232 31.823 -0.829 0.000 0.746 103 V HN 0.281 nan 8.190 nan 0.000 0.476 104 T N 1.143 115.438 114.554 -0.432 0.000 2.871 104 T HA 0.105 4.455 4.350 -0.000 0.000 0.296 104 T C -0.404 174.133 174.700 -0.271 0.000 0.998 104 T CA 0.370 62.292 62.100 -0.297 0.000 1.162 104 T CB -0.301 68.433 68.868 -0.224 0.000 0.947 104 T HN 0.189 nan 8.240 nan 0.000 0.536 105 Y N 4.837 125.026 120.300 -0.185 0.000 2.597 105 Y HA 0.112 4.662 4.550 -0.000 0.000 0.336 105 Y C -0.940 174.819 175.900 -0.236 0.000 1.216 105 Y CA -1.831 56.147 58.100 -0.204 0.000 1.463 105 Y CB 0.428 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 0.127 177.231 177.300 -0.326 0.000 1.148 106 P CA 1.404 64.384 63.100 -0.200 0.000 0.803 106 P CB 0.194 31.756 31.700 -0.230 0.000 0.782 107 I N -4.844 115.471 120.570 -0.425 0.000 3.237 107 I HA 0.462 4.632 4.170 -0.000 0.000 0.308 107 I C -0.585 175.391 176.117 -0.236 0.000 1.093 107 I CA -1.056 59.979 61.300 -0.442 0.000 1.001 107 I CB 1.501 39.069 38.000 -0.720 0.000 1.245 107 I HN -0.426 nan 8.210 nan 0.000 0.485 108 T N 2.264 116.720 114.554 -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 4.638 124.556 119.914 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 -0.387 31.459 31.823 0.039 0.000 1.111 109 V HN 0.845 nan 8.190 nan 0.000 0.490 110 N N 5.623 124.464 118.700 0.236 0.000 2.679 110 N HA 0.241 4.981 4.740 -0.000 0.000 0.240 110 N C -2.993 172.581 175.510 0.108 0.000 1.537 110 N CA -1.243 51.917 53.050 0.183 0.000 0.793 110 N CB 1.477 40.120 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 -2.375 174.601 177.300 -0.541 0.000 1.195 111 P CA -0.714 61.886 63.100 -0.833 0.000 0.768 111 P CB 0.366 31.391 31.700 -1.125 0.000 0.838 112 P HA 0.276 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 -0.355 62.461 63.100 -0.475 0.000 1.130 112 P CB -0.209 31.253 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 1.129 177.113 175.800 0.306 0.000 1.104 113 F CA -0.962 57.166 58.000 0.214 0.000 1.161 113 F CB 1.179 40.252 39.000 0.120 0.000 1.146 113 F HN -0.263 nan 8.300 nan 0.000 0.522 114 V N 3.698 123.918 119.914 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 60.643 62.300 0.389 0.000 1.008 114 V CB 1.879 34.025 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 0.909 32.691 31.700 0.136 0.000 0.940 116 T N 0.236 114.913 114.554 0.206 0.000 2.721 116 T HA -0.229 4.121 4.350 -0.000 0.000 0.268 116 T C 0.372 175.187 174.700 0.190 0.000 1.038 116 T CA 1.412 63.628 62.100 0.193 0.000 1.145 116 T CB -0.814 68.131 68.868 0.128 0.000 0.858 116 T HN 0.384 nan 8.240 nan 0.000 0.459 117 E N 2.721 123.037 120.200 0.194 0.000 1.941 117 E HA 0.446 4.796 4.350 -0.000 0.000 0.275 117 E C -0.645 176.107 176.600 0.253 0.000 1.113 117 E CA -0.301 56.213 56.400 0.190 0.000 0.878 117 E CB 0.318 30.135 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 0.173 0.000 2.531 118 N HA 0.291 5.031 4.740 -0.000 0.000 0.268 118 N C -2.813 172.667 175.510 -0.050 0.000 1.023 118 N CA -2.718 50.430 53.050 0.164 0.000 0.896 118 N CB 1.117 39.748 38.487 0.240 0.000 1.233 118 N HN -0.028 nan 8.380 nan 0.000 0.512 119 P HA -0.002 nan 4.420 nan 0.000 0.256 119 P C -0.757 176.389 177.300 -0.257 0.000 1.173 119 P CA 0.547 63.512 63.100 -0.225 0.000 0.768 119 P CB 0.158 31.976 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 0.457 174.731 174.700 -0.710 0.000 0.995 120 T CA -0.544 61.282 62.100 -0.455 0.000 1.009 120 T CB 1.687 70.303 68.868 -0.420 0.000 0.955 120 T HN 0.321 nan 8.240 nan 0.000 0.452 121 G N 0.900 109.427 108.800 -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 3.174 122.131 119.300 -0.571 0.000 2.281 122 C HA 0.478 4.938 4.460 -0.000 0.000 0.336 122 C C -0.488 174.472 174.990 -0.049 0.000 1.217 122 C CA -1.049 57.637 59.018 -0.553 0.000 1.730 122 C CB -1.753 25.042 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 0.762 177.113 175.900 0.752 0.000 1.133 123 Y CA -0.457 57.988 58.100 0.576 0.000 1.152 123 Y CB 1.370 40.141 38.460 0.519 0.000 1.215 123 Y HN 0.695 nan 8.280 nan 0.000 0.466 124 S N 2.850 119.039 115.700 0.815 0.000 2.541 124 S HA 0.809 5.279 4.470 -0.000 0.000 0.271 124 S C -1.594 173.096 174.600 0.150 0.000 1.133 124 S CA -0.878 57.611 58.200 0.481 0.000 0.876 124 S CB 2.201 65.634 63.200 0.388 0.000 1.105 124 S HN 0.678 nan 8.310 nan 0.000 0.470 125 L N 0.910 122.075 121.223 -0.096 0.000 2.565 125 L HA 0.685 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 -0.370 0.000 0.878 125 L CB 2.245 43.493 42.059 -1.352 0.000 1.333 125 L HN 0.784 nan 8.230 nan 0.000 0.409 126 T N 5.282 119.826 114.554 -0.017 0.000 2.771 126 T HA 0.755 5.105 4.350 -0.000 0.000 0.281 126 T C -0.894 173.889 174.700 0.138 0.000 0.982 126 T CA -0.086 62.043 62.100 0.047 0.000 0.978 126 T CB 0.560 69.404 68.868 -0.039 0.000 0.930 126 T HN 0.469 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 -0.985 174.758 175.800 -0.096 0.000 1.141 127 F CA -1.498 56.428 58.000 -0.122 0.000 0.941 127 F CB 1.326 40.243 39.000 -0.137 0.000 1.349 127 F HN 0.264 nan 8.300 nan 0.000 0.464 128 N N 0.145 118.796 118.700 -0.083 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 -0.087 0.000 1.076 128 N CA -0.592 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 1.360 121.182 119.914 -0.153 0.000 2.540 129 V HA 0.266 4.386 4.120 -0.000 0.000 0.302 129 V C -0.211 175.764 176.094 -0.199 0.000 1.035 129 V CA -1.015 61.196 62.300 -0.150 0.000 0.873 129 V CB 1.598 33.388 31.823 -0.056 0.000 0.992 129 V HN 0.654 nan 8.190 nan 0.000 0.428 130 D N 2.916 123.101 120.400 -0.358 0.000 2.423 130 D HA -0.002 4.638 4.640 -0.000 0.000 0.238 130 D C 1.178 177.395 176.300 -0.138 0.000 1.142 130 D CA 0.195 54.022 54.000 -0.288 0.000 0.884 130 D CB 1.536 42.083 40.800 -0.421 0.000 1.199 130 D HN 0.878 nan 8.370 nan 0.000 0.438 131 E N 1.072 121.236 120.200 -0.061 0.000 2.299 131 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 131 E C 1.645 178.281 176.600 0.061 0.000 0.998 131 E CA 0.815 57.220 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 0.390 116.124 115.700 0.057 0.000 2.387 132 S HA -0.223 4.247 4.470 -0.000 0.000 0.230 132 S C 1.540 176.238 174.600 0.164 0.000 1.035 132 S CA 1.054 59.317 58.200 0.106 0.000 1.014 132 S CB -0.868 62.400 63.200 0.113 0.000 0.836 132 S HN 0.523 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 0.282 4.942 4.660 -0.000 0.000 0.286 133 W C 2.226 178.690 176.519 -0.092 0.000 1.221 133 W CA -0.066 57.023 57.345 -0.427 0.000 1.257 133 W CB -0.856 28.362 29.460 -0.404 0.000 1.120 133 W HN 0.314 nan 8.180 nan 0.000 0.551 134 L N -0.274 121.079 121.223 0.216 0.000 2.291 134 L HA -0.182 4.158 4.340 -0.000 0.000 0.214 134 L C 2.293 179.237 176.870 0.124 0.000 1.120 134 L CA 0.970 55.907 54.840 0.162 0.000 0.799 134 L CB -0.376 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 -0.326 119.542 119.800 0.113 0.000 1.922 135 Q HA -0.103 4.237 4.340 -0.000 0.000 0.201 135 Q C 0.890 176.947 176.000 0.094 0.000 0.979 135 Q CA 1.053 56.908 55.803 0.087 0.000 0.841 135 Q CB -0.008 28.774 28.738 0.073 0.000 0.903 135 Q HN 0.260 nan 8.270 nan 0.000 0.431 136 E N 0.331 120.602 120.200 0.119 0.000 2.264 136 E HA 0.438 4.788 4.350 -0.000 0.000 0.260 136 E C 0.336 177.035 176.600 0.164 0.000 0.961 136 E CA 0.007 56.473 56.400 0.110 0.000 0.834 136 E CB 1.040 30.788 29.700 0.079 0.000 1.230 136 E HN 0.347 nan 8.360 nan 0.000 0.412 137 G N 0.777 109.592 108.800 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 -0.839 173.962 174.900 -0.165 0.000 1.352 137 G CA 0.193 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 -1.234 174.625 176.000 -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 4.639 119.204 114.554 0.019 0.000 2.809 139 T HA 0.522 4.872 4.350 -0.000 0.000 0.284 139 T C -0.912 173.861 174.700 0.123 0.000 0.992 139 T CA -0.643 61.527 62.100 0.116 0.000 0.957 139 T CB 0.706 69.773 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 0.722 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 32.001 30.300 0.065 0.000 1.206 140 R HN 0.537 nan 8.270 nan 0.000 0.474 141 I N 2.712 123.314 120.570 0.053 0.000 2.607 141 I HA 0.467 4.638 4.170 -0.000 0.000 0.305 141 I C -0.995 175.043 176.117 -0.132 0.000 0.995 141 I CA -1.449 59.807 61.300 -0.073 0.000 1.148 141 I CB 1.508 39.431 38.000 -0.128 0.000 1.323 141 I HN 0.644 nan 8.210 nan 0.000 0.461 142 I N 6.587 126.970 120.570 -0.312 0.000 2.512 142 I HA 0.264 4.434 4.170 -0.000 0.000 0.287 142 I C -1.292 174.548 176.117 -0.461 0.000 1.069 142 I CA -0.368 60.765 61.300 -0.278 0.000 1.056 142 I CB 1.751 39.677 38.000 -0.124 0.000 1.229 142 I HN 0.354 nan 8.210 nan 0.000 0.429 143 F N 4.528 124.482 119.950 0.007 0.000 2.350 143 F HA 0.252 4.779 4.527 -0.000 0.000 0.365 143 F C 1.280 176.986 175.800 -0.156 0.000 1.122 143 F CA -0.449 57.489 58.000 -0.103 0.000 1.139 143 F CB 0.837 39.764 39.000 -0.122 0.000 1.220 143 F HN 0.487 nan 8.300 nan 0.000 0.499 144 D N 2.393 122.763 120.400 -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 0.649 nan 8.370 nan 0.000 0.499 145 G N -0.699 107.884 108.800 -0.363 0.000 2.524 145 G HA2 0.409 4.369 3.960 -0.000 0.000 0.306 145 G HA3 0.409 4.369 3.960 -0.000 0.000 0.306 145 G C -1.580 172.872 174.900 -0.747 0.000 1.420 145 G CA -0.519 44.197 45.100 -0.640 0.000 1.086 145 G HN -0.057 nan 8.290 nan 0.000 0.591 146 V N 2.457 122.183 119.914 -0.313 0.000 2.524 146 V HA 0.560 4.680 4.120 -0.000 0.000 0.297 146 V C -0.760 175.386 176.094 0.086 0.000 1.035 146 V CA -1.128 61.036 62.300 -0.227 0.000 0.867 146 V CB 1.852 33.272 31.823 -0.672 0.000 1.004 146 V HN 0.783 nan 8.190 nan 0.000 0.426 147 N N 2.613 121.411 118.700 0.163 0.000 2.372 147 N HA 0.391 5.131 4.740 -0.000 0.000 0.285 147 N C 0.664 176.123 175.510 -0.085 0.000 1.008 147 N CA 0.159 53.236 53.050 0.045 0.000 0.880 147 N CB 2.420 40.848 38.487 -0.099 0.000 1.239 147 N HN 0.599 nan 8.380 nan 0.000 0.484 148 S N 2.430 118.107 115.700 -0.039 0.000 2.502 148 S HA 0.495 4.965 4.470 -0.000 0.000 0.228 148 S C 0.550 175.216 174.600 0.111 0.000 1.061 148 S CA 0.339 58.569 58.200 0.050 0.000 0.935 148 S CB 0.048 63.294 63.200 0.076 0.000 0.809 148 S HN 0.694 nan 8.310 nan 0.000 0.510 149 A N 0.743 123.642 122.820 0.132 0.000 2.485 149 A HA 0.867 5.187 4.320 -0.000 0.000 0.292 149 A C -1.033 176.708 177.584 0.262 0.000 1.147 149 A CA -0.974 51.134 52.037 0.118 0.000 0.750 149 A CB 1.094 20.184 19.000 0.150 0.000 1.331 149 A HN 1.235 nan 8.150 nan 0.000 0.419 150 F N -1.129 118.728 119.950 -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 57.184 58.000 -0.003 0.000 0.954 150 F CB 0.866 39.825 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 0.287 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 2.352 32.285 29.762 0.286 0.000 1.566 151 H HN 0.831 nan 8.280 nan 0.000 0.522 152 L N 2.102 123.229 121.223 -0.160 0.000 2.431 152 L HA 0.417 4.757 4.340 -0.000 0.000 0.266 152 L C -1.864 174.679 176.870 -0.545 0.000 0.978 152 L CA -0.522 54.220 54.840 -0.164 0.000 0.822 152 L CB 1.851 43.756 42.059 -0.256 0.000 1.310 152 L HN 0.508 nan 8.230 nan 0.000 0.409 153 W N 4.185 125.448 121.300 -0.062 0.000 2.936 153 W HA 0.631 5.291 4.660 -0.000 0.000 0.338 153 W C -1.234 175.211 176.519 -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 31.524 29.460 -0.064 0.000 1.420 153 W HN 0.692 nan 8.180 nan 0.000 0.516 154 C N 4.980 124.348 119.300 0.114 0.000 2.446 154 C HA 0.318 4.778 4.460 -0.000 0.000 0.329 154 C C 0.093 175.180 174.990 0.162 0.000 1.166 154 C CA -0.387 58.679 59.018 0.081 0.000 1.341 154 C CB -0.415 27.293 27.740 -0.054 0.000 1.970 154 C HN 0.800 nan 8.230 nan 0.000 0.452 155 N N 3.725 122.488 118.700 0.105 0.000 2.725 155 N HA -0.182 4.558 4.740 -0.000 0.000 0.251 155 N C 0.999 176.565 175.510 0.092 0.000 1.031 155 N CA 2.105 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 1.931 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 0.666 45.801 45.100 0.058 0.000 0.625 156 G HN 0.573 nan 8.290 nan 0.000 0.532 157 R N -0.856 119.872 120.500 0.379 0.000 2.312 157 R HA 0.455 4.795 4.340 -0.000 0.000 0.311 157 R C -0.068 176.532 176.300 0.500 0.000 1.004 157 R CA -0.880 55.522 56.100 0.503 0.000 0.902 157 R CB 0.671 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 3.999 125.452 121.300 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 -0.426 0.000 1.234 158 W CB 0.627 29.883 29.460 -0.341 0.000 1.212 158 W HN 0.345 nan 8.180 nan 0.000 0.557 159 V N 4.957 123.821 119.914 -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 -0.276 30.822 31.823 -1.208 0.000 1.020 159 V HN 0.778 nan 8.190 nan 0.000 0.491 160 G N -1.697 105.905 108.800 -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 -0.327 44.140 45.100 -1.054 0.000 0.800 160 G HN -0.012 nan 8.290 nan 0.000 0.481 161 Y N -0.656 119.594 120.300 -0.084 0.000 2.588 161 Y HA 0.739 5.289 4.550 -0.000 0.000 0.343 161 Y C -0.044 175.726 175.900 -0.218 0.000 1.065 161 Y CA -0.258 57.680 58.100 -0.270 0.000 1.038 161 Y CB 2.332 40.728 38.460 -0.107 0.000 1.297 161 Y HN 1.192 nan 8.280 nan 0.000 0.467 162 G N 3.320 111.361 108.800 -1.265 0.000 2.742 162 G HA2 0.570 4.530 3.960 -0.000 0.000 0.296 162 G HA3 0.570 4.530 3.960 -0.000 0.000 0.296 162 G C -2.175 172.282 174.900 -0.738 0.000 1.436 162 G CA -0.905 43.729 45.100 -0.776 0.000 0.928 162 G HN 0.599 nan 8.290 nan 0.000 0.520 163 Q N -0.085 119.516 119.800 -0.332 0.000 2.496 163 Q HA 0.609 4.949 4.340 -0.000 0.000 0.286 163 Q C -1.359 174.637 176.000 -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 0.654 nan 8.270 nan 0.000 0.443 164 D N -0.076 120.359 120.400 0.058 0.000 4.150 164 D HA -0.097 4.543 4.640 -0.000 0.000 0.231 164 D C -0.205 176.158 176.300 0.104 0.000 1.129 164 D CA 0.673 54.724 54.000 0.085 0.000 1.005 164 D CB -0.699 40.138 40.800 0.062 0.000 0.691 164 D HN 0.575 nan 8.370 nan 0.000 0.320 165 S N 3.085 118.861 115.700 0.127 0.000 2.469 165 S HA -0.159 4.311 4.470 -0.000 0.000 0.238 165 S C 1.601 176.324 174.600 0.205 0.000 0.998 165 S CA 0.714 59.017 58.200 0.172 0.000 0.957 165 S CB 0.128 63.417 63.200 0.149 0.000 0.764 165 S HN 0.568 nan 8.310 nan 0.000 0.514 166 R N 0.232 120.822 120.500 0.150 0.000 2.362 166 R HA 0.449 4.789 4.340 -0.000 0.000 0.227 166 R C 0.056 176.418 176.300 0.102 0.000 0.905 166 R CA 0.044 56.233 56.100 0.148 0.000 1.067 166 R CB -0.372 30.029 30.300 0.167 0.000 1.078 166 R HN 0.378 nan 8.270 nan 0.000 0.516 167 L N 1.276 122.537 121.223 0.063 0.000 2.301 167 L HA 0.501 4.841 4.340 -0.000 0.000 0.264 167 L C -2.333 174.528 176.870 -0.014 0.000 1.016 167 L CA -2.438 52.411 54.840 0.016 0.000 0.821 167 L CB 1.959 44.020 42.059 0.003 0.000 1.346 167 L HN -0.232 nan 8.230 nan 0.000 0.429 168 P HA 0.133 nan 4.420 nan 0.000 0.269 168 P C -1.145 176.143 177.300 -0.021 0.000 1.215 168 P CA -0.222 62.849 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 1.104 116.843 115.700 0.066 0.000 2.561 169 S HA 0.362 4.832 4.470 -0.000 0.000 0.303 169 S C -0.736 173.867 174.600 0.005 0.000 1.110 169 S CA -0.615 57.620 58.200 0.057 0.000 1.034 169 S CB 0.947 64.334 63.200 0.310 0.000 1.010 169 S HN 0.343 nan 8.310 nan 0.000 0.482 170 E N 1.904 121.928 120.200 -0.294 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 -0.619 55.656 56.400 -0.209 0.000 0.769 170 E CB 1.691 31.357 29.700 -0.057 0.000 1.187 170 E HN 0.417 nan 8.360 nan 0.000 0.416 171 F N 0.333 120.300 119.950 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 -0.038 0.000 1.230 171 F HN 0.242 nan 8.300 nan 0.000 0.450 172 D N 2.424 122.959 120.400 0.226 0.000 2.336 172 D HA 0.263 4.903 4.640 -0.000 0.000 0.249 172 D C 0.463 176.888 176.300 0.208 0.000 1.213 172 D CA 0.284 54.387 54.000 0.172 0.000 0.870 172 D CB 1.006 41.895 40.800 0.149 0.000 1.076 172 D HN 0.585 nan 8.370 nan 0.000 0.483 173 L N 2.516 123.859 121.223 0.201 0.000 2.513 173 L HA -0.035 4.305 4.340 -0.000 0.000 0.222 173 L C 2.191 179.303 176.870 0.402 0.000 1.096 173 L CA -0.062 54.931 54.840 0.255 0.000 0.857 173 L CB -0.057 42.118 42.059 0.193 0.000 1.026 173 L HN 0.329 nan 8.230 nan 0.000 0.469 174 S N 1.180 117.046 115.700 0.277 0.000 2.429 174 S HA -0.354 4.116 4.470 -0.000 0.000 0.251 174 S C 1.871 176.579 174.600 0.181 0.000 1.104 174 S CA 2.053 60.378 58.200 0.208 0.000 1.130 174 S CB -0.279 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 -0.826 122.102 122.820 0.180 0.000 2.251 175 A HA 0.370 4.690 4.320 -0.000 0.000 0.209 175 A C 0.982 178.425 177.584 -0.235 0.000 1.187 175 A CA 0.238 52.221 52.037 -0.090 0.000 0.823 175 A CB -0.258 18.549 19.000 -0.322 0.000 0.846 175 A HN 0.487 nan 8.150 nan 0.000 0.486 176 F N -0.960 119.024 119.950 0.058 0.000 2.706 176 F HA 0.391 4.918 4.527 -0.000 0.000 0.313 176 F C 0.286 176.114 175.800 0.048 0.000 1.096 176 F CA -0.682 57.349 58.000 0.051 0.000 1.219 176 F CB -0.053 38.979 39.000 0.054 0.000 1.051 176 F HN -0.075 nan 8.300 nan 0.000 0.568 177 L N 1.908 123.280 121.223 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 0.936 43.105 42.059 0.183 0.000 1.149 177 L HN -0.009 nan 8.230 nan 0.000 0.442 178 R N 1.589 122.098 120.500 0.014 0.000 2.787 178 R HA 0.712 5.052 4.340 -0.000 0.000 0.271 178 R C -0.526 175.750 176.300 -0.040 0.000 0.993 178 R CA -0.934 55.156 56.100 -0.016 0.000 0.993 178 R CB 1.718 31.992 30.300 -0.042 0.000 1.155 178 R HN 0.693 nan 8.270 nan 0.000 0.486 179 A N 0.825 123.625 122.820 -0.034 0.000 2.407 179 A HA 0.542 4.862 4.320 -0.000 0.000 0.248 179 A C 0.937 178.471 177.584 -0.084 0.000 1.082 179 A CA 0.775 52.783 52.037 -0.048 0.000 0.785 179 A CB -0.044 18.937 19.000 -0.031 0.000 1.020 179 A HN 0.893 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 0.060 174.842 174.900 -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 2.360 122.448 120.200 -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 3.058 121.406 118.700 -0.588 0.000 2.321 182 N HA 0.413 5.153 4.740 -0.000 0.000 0.290 182 N C -0.844 174.347 175.510 -0.532 0.000 1.212 182 N CA -0.739 51.938 53.050 -0.622 0.000 0.767 182 N CB 2.383 40.384 38.487 -0.809 0.000 1.494 182 N HN 0.254 nan 8.380 nan 0.000 0.479 183 R N 1.432 121.813 120.500 -0.197 0.000 2.575 183 R HA 0.462 4.802 4.340 -0.000 0.000 0.293 183 R C -1.332 175.036 176.300 0.114 0.000 0.983 183 R CA -0.517 55.576 56.100 -0.012 0.000 0.887 183 R CB 1.303 31.561 30.300 -0.069 0.000 1.184 183 R HN 0.512 nan 8.270 nan 0.000 0.445 184 L N 2.902 124.250 121.223 0.208 0.000 2.309 184 L HA 0.657 4.997 4.340 -0.000 0.000 0.282 184 L C -0.205 176.756 176.870 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 0.691 nan 8.230 nan 0.000 0.429 185 A N 3.779 126.694 122.820 0.157 0.000 2.410 185 A HA 0.676 4.996 4.320 -0.000 0.000 0.289 185 A C -0.900 177.000 177.584 0.526 0.000 1.200 185 A CA -0.439 51.632 52.037 0.057 0.000 0.751 185 A CB 1.192 19.624 19.000 -0.947 0.000 1.161 185 A HN 0.377 nan 8.150 nan 0.000 0.459 186 V N 3.318 123.691 119.914 0.766 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 0.793 0.000 1.018 186 V CA -0.321 62.405 62.300 0.709 0.000 0.841 186 V CB 1.253 33.295 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 0.601 5.081 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 1.235 34.161 32.600 0.545 0.000 1.568 187 M HN 0.470 nan 8.290 nan 0.000 0.445 188 V N 6.722 126.808 119.914 0.288 0.000 2.472 188 V HA 0.528 4.648 4.120 -0.000 0.000 0.290 188 V C -0.182 176.049 176.094 0.229 0.000 1.037 188 V CA -0.769 61.694 62.300 0.272 0.000 0.908 188 V CB 1.629 33.617 31.823 0.274 0.000 0.985 188 V HN 0.836 nan 8.190 nan 0.000 0.454 189 L N 2.808 124.120 121.223 0.149 0.000 2.362 189 L HA 0.671 5.011 4.340 -0.000 0.000 0.271 189 L C 1.050 177.879 176.870 -0.068 0.000 1.002 189 L CA -0.809 54.047 54.840 0.026 0.000 0.818 189 L CB 1.776 43.746 42.059 -0.148 0.000 1.298 189 L HN 0.444 nan 8.230 nan 0.000 0.420 190 R N 1.554 121.910 120.500 -0.241 0.000 2.082 190 R HA 0.004 4.344 4.340 -0.000 0.000 0.228 190 R C -0.211 175.692 176.300 -0.663 0.000 1.140 190 R CA 1.769 57.425 56.100 -0.739 0.000 0.920 190 R CB 0.012 29.536 30.300 -1.294 0.000 0.828 190 R HN 0.628 nan 8.270 nan 0.000 0.430 191 W N 0.364 121.723 121.300 0.098 0.000 2.375 191 W HA 0.297 4.957 4.660 -0.000 0.000 0.336 191 W C 0.142 176.780 176.519 0.197 0.000 1.160 191 W CA -0.693 56.722 57.345 0.117 0.000 1.266 191 W CB 1.061 30.591 29.460 0.116 0.000 1.195 191 W HN 0.141 nan 8.180 nan 0.000 0.599 192 S N -1.173 114.821 115.700 0.489 0.000 2.636 192 S HA 0.160 4.630 4.470 -0.000 0.000 0.268 192 S C 0.017 174.878 174.600 0.435 0.000 1.159 192 S CA -0.489 58.006 58.200 0.492 0.000 0.815 192 S CB 1.130 64.579 63.200 0.416 0.000 1.130 192 S HN 0.631 nan 8.310 nan 0.000 0.471 193 D N 0.798 121.449 120.400 0.419 0.000 2.178 193 D HA 0.036 4.676 4.640 -0.000 0.000 0.201 193 D C 1.897 178.488 176.300 0.485 0.000 0.980 193 D CA 1.305 55.581 54.000 0.459 0.000 0.842 193 D CB -0.836 40.119 40.800 0.257 0.000 0.948 193 D HN 0.733 nan 8.370 nan 0.000 0.472 194 G N 0.200 109.210 108.800 0.350 0.000 2.475 194 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.220 194 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.220 194 G C 1.741 176.818 174.900 0.294 0.000 1.125 194 G CA 1.049 46.326 45.100 0.296 0.000 0.755 194 G HN 0.337 nan 8.290 nan 0.000 0.565 195 S N 0.042 115.911 115.700 0.283 0.000 2.383 195 S HA -0.147 4.323 4.470 -0.000 0.000 0.229 195 S C 1.970 176.683 174.600 0.188 0.000 1.030 195 S CA 1.136 59.473 58.200 0.227 0.000 1.002 195 S CB -0.486 62.851 63.200 0.230 0.000 0.829 195 S HN 0.549 nan 8.310 nan 0.000 0.467 196 Y N 1.260 121.657 120.300 0.163 0.000 2.384 196 Y HA -0.010 4.540 4.550 -0.000 0.000 0.289 196 Y C 1.611 177.604 175.900 0.156 0.000 1.152 196 Y CA 0.686 58.804 58.100 0.030 0.000 1.258 196 Y CB -0.287 38.093 38.460 -0.134 0.000 0.979 196 Y HN 0.199 nan 8.280 nan 0.000 0.549 197 L N -0.043 121.367 121.223 0.313 0.000 2.700 197 L HA 0.125 4.465 4.340 -0.000 0.000 0.234 197 L C -0.070 176.937 176.870 0.229 0.000 1.156 197 L CA 0.368 55.349 54.840 0.235 0.000 0.946 197 L CB 0.001 42.194 42.059 0.224 0.000 1.216 197 L HN 0.194 nan 8.230 nan 0.000 0.493 198 E N -0.407 119.947 120.200 0.257 0.000 4.044 198 E HA 0.044 4.394 4.350 -0.000 0.000 0.216 198 E C -0.468 176.248 176.600 0.193 0.000 1.104 198 E CA -0.091 56.444 56.400 0.224 0.000 1.383 198 E CB 0.511 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 1.292 121.771 120.400 0.131 0.000 2.519 199 D HA 0.005 4.645 4.640 -0.000 0.000 0.238 199 D C -0.210 176.082 176.300 -0.013 0.000 1.192 199 D CA -0.042 53.925 54.000 -0.055 0.000 0.835 199 D CB 0.096 40.630 40.800 -0.444 0.000 0.975 199 D HN 0.078 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 0.245 56.187 55.803 0.232 0.000 0.918 200 Q CB 0.515 29.531 28.738 0.464 0.000 1.242 200 Q HN 0.120 nan 8.270 nan 0.000 0.405 201 D N 3.426 123.931 120.400 0.174 0.000 2.441 201 D HA 0.206 4.846 4.640 -0.000 0.000 0.243 201 D C -0.666 175.753 176.300 0.197 0.000 1.257 201 D CA 0.059 54.121 54.000 0.103 0.000 1.027 201 D CB -0.319 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 0.435 120.112 119.600 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 0.377 5.037 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 -0.210 57.194 57.345 0.099 0.000 1.213 203 W CB 0.531 29.992 29.460 0.001 0.000 1.171 203 W HN 0.275 nan 8.180 nan 0.000 0.557 204 R N 4.969 125.651 120.500 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 -0.185 56.018 56.100 0.172 0.000 0.883 204 R CB 0.248 30.695 30.300 0.245 0.000 1.078 204 R HN 0.581 nan 8.270 nan 0.000 0.462 205 M N 0.269 119.797 119.600 -0.119 0.000 2.708 205 M HA 0.525 5.005 4.480 -0.000 0.000 0.280 205 M C -0.244 175.752 176.300 -0.508 0.000 1.095 205 M CA -0.789 54.322 55.300 -0.315 0.000 0.822 205 M CB 2.186 34.586 32.600 -0.333 0.000 1.698 205 M HN 0.665 nan 8.290 nan 0.000 0.475 206 S N -1.305 113.969 115.700 -0.710 0.000 2.611 206 S HA 0.866 5.336 4.470 -0.000 0.000 0.270 206 S C -0.644 173.514 174.600 -0.736 0.000 1.131 206 S CA -0.307 57.395 58.200 -0.831 0.000 0.826 206 S CB 1.504 64.038 63.200 -1.111 0.000 1.095 206 S HN 1.470 nan 8.310 nan 0.000 0.461 207 G N 0.101 108.679 108.800 -0.370 0.000 2.316 207 G HA2 0.187 4.147 3.960 -0.000 0.000 0.349 207 G HA3 0.187 4.147 3.960 -0.000 0.000 0.349 207 G C -1.558 173.305 174.900 -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 -0.309 60.741 61.300 -0.416 0.000 1.219 208 I CB -0.058 37.485 38.000 -0.762 0.000 1.455 208 I HN 0.505 nan 8.210 nan 0.000 0.498 209 F N 3.721 123.528 119.950 -0.238 0.000 2.727 209 F HA 0.457 4.984 4.527 -0.000 0.000 0.302 209 F C 0.660 176.396 175.800 -0.108 0.000 1.097 209 F CA -0.518 57.381 58.000 -0.169 0.000 1.330 209 F CB 0.075 38.976 39.000 -0.166 0.000 1.084 209 F HN 0.132 nan 8.300 nan 0.000 0.578 210 R N 0.719 120.808 120.500 -0.684 0.000 2.867 210 R HA 0.225 4.565 4.340 -0.000 0.000 0.268 210 R C -0.889 175.261 176.300 -0.249 0.000 1.014 210 R CA -1.160 54.685 56.100 -0.425 0.000 0.946 210 R CB 1.063 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 61.667 62.300 -0.077 0.000 0.877 212 V CB 1.770 33.614 31.823 0.035 0.000 0.996 212 V HN 0.742 nan 8.190 nan 0.000 0.425 213 S N 4.421 120.033 115.700 -0.147 0.000 2.671 213 S HA 0.825 5.295 4.470 -0.000 0.000 0.277 213 S C -1.230 173.328 174.600 -0.070 0.000 1.165 213 S CA -0.943 57.214 58.200 -0.073 0.000 0.822 213 S CB 1.962 65.145 63.200 -0.028 0.000 1.150 213 S HN 0.474 nan 8.310 nan 0.000 0.479 214 L N 1.321 122.565 121.223 0.034 0.000 2.386 214 L HA 0.680 5.020 4.340 -0.000 0.000 0.271 214 L C -1.637 175.341 176.870 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 0.479 4.819 4.340 -0.000 0.000 0.274 215 L C -0.957 175.812 176.870 -0.167 0.000 0.988 215 L CA -0.254 54.583 54.840 -0.006 0.000 0.824 215 L CB 1.591 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 4.175 122.921 119.070 -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 -0.129 55.428 56.048 -0.819 0.000 1.231 216 H CB 0.784 29.473 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 -2.723 173.516 176.600 -0.600 0.000 0.942 217 K CA -2.445 53.497 56.287 -0.574 0.000 0.806 217 K CB 1.836 34.107 32.500 -0.383 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 -0.031 62.910 63.100 -0.264 0.000 0.785 218 P CB 0.442 32.040 31.700 -0.171 0.000 0.923 219 T N -1.996 112.460 114.554 -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 1.311 63.332 62.100 -0.132 0.000 1.139 219 T CB -0.837 67.979 68.868 -0.086 0.000 0.871 219 T HN 0.337 nan 8.240 nan 0.000 0.454 220 T N 3.312 117.785 114.554 -0.134 0.000 2.801 220 T HA 0.480 4.830 4.350 -0.000 0.000 0.306 220 T C -0.345 174.255 174.700 -0.167 0.000 1.020 220 T CA -0.804 61.205 62.100 -0.152 0.000 0.948 220 T CB 0.851 69.634 68.868 -0.142 0.000 0.962 220 T HN 0.614 nan 8.240 nan 0.000 0.465 221 Q N 2.588 122.274 119.800 -0.191 0.000 2.615 221 Q HA 0.590 4.930 4.340 -0.000 0.000 0.298 221 Q C -1.087 174.788 176.000 -0.207 0.000 1.023 221 Q CA -1.193 54.484 55.803 -0.210 0.000 0.768 221 Q CB 1.332 29.910 28.738 -0.266 0.000 1.500 221 Q HN 0.434 nan 8.270 nan 0.000 0.441 222 I N 2.748 123.173 120.570 -0.241 0.000 2.505 222 I HA -0.026 4.144 4.170 -0.000 0.000 0.287 222 I C 0.984 176.900 176.117 -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 38.810 38.000 -0.262 0.000 1.404 222 I HN 0.861 nan 8.210 nan 0.000 0.528 223 S N 3.138 118.754 115.700 -0.140 0.000 2.486 223 S HA 0.114 4.584 4.470 -0.000 0.000 0.220 223 S C 0.231 174.938 174.600 0.177 0.000 1.011 223 S CA -0.097 58.053 58.200 -0.083 0.000 0.921 223 S CB 0.251 63.430 63.200 -0.036 0.000 0.785 223 S HN 0.756 nan 8.310 nan 0.000 0.517 224 D N -0.601 119.952 120.400 0.256 0.000 2.766 224 D HA 0.434 5.074 4.640 -0.000 0.000 0.244 224 D C -1.703 174.788 176.300 0.319 0.000 1.198 224 D CA -0.738 53.495 54.000 0.388 0.000 0.739 224 D CB 0.991 41.921 40.800 0.216 0.000 1.379 224 D HN 0.256 nan 8.370 nan 0.000 0.437 225 F N -0.336 119.620 119.950 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 1.419 40.406 39.000 -0.021 0.000 1.305 225 F HN 0.317 nan 8.300 nan 0.000 0.443 226 H N 0.902 119.973 119.070 0.002 0.000 2.768 226 H HA 0.803 5.359 4.556 -0.000 0.000 0.371 226 H C -1.375 173.936 175.328 -0.029 0.000 1.151 226 H CA -1.532 54.442 56.048 -0.122 0.000 1.165 226 H CB 2.604 32.312 29.762 -0.089 0.000 1.722 226 H HN 0.620 nan 8.280 nan 0.000 0.543 227 V N 1.065 121.021 119.914 0.070 0.000 2.769 227 V HA 0.831 4.951 4.120 -0.000 0.000 0.312 227 V C -0.464 175.607 176.094 -0.038 0.000 1.061 227 V CA -0.643 61.665 62.300 0.013 0.000 0.931 227 V CB 1.624 33.432 31.823 -0.025 0.000 1.010 227 V HN 0.985 nan 8.190 nan 0.000 0.433 228 A N 2.130 124.907 122.820 -0.070 0.000 2.547 228 A HA 0.865 5.185 4.320 -0.000 0.000 0.297 228 A C -0.438 177.057 177.584 -0.149 0.000 1.056 228 A CA -0.431 51.552 52.037 -0.089 0.000 0.688 228 A CB 2.056 21.026 19.000 -0.049 0.000 1.282 228 A HN 0.939 nan 8.150 nan 0.000 0.400 229 T N -0.132 114.323 114.554 -0.165 0.000 2.829 229 T HA 0.810 5.160 4.350 -0.000 0.000 0.280 229 T C -0.364 174.149 174.700 -0.313 0.000 0.999 229 T CA -0.707 61.226 62.100 -0.278 0.000 0.983 229 T CB 1.590 70.255 68.868 -0.338 0.000 0.968 229 T HN 0.704 nan 8.240 nan 0.000 0.446 230 R N 1.382 121.581 120.500 -0.501 0.000 2.750 230 R HA 0.734 5.074 4.340 -0.000 0.000 0.281 230 R C -1.425 174.458 176.300 -0.696 0.000 0.972 230 R CA -0.761 55.108 56.100 -0.386 0.000 0.912 230 R CB 1.529 31.723 30.300 -0.176 0.000 1.187 230 R HN 0.609 nan 8.270 nan 0.000 0.464 231 F N 0.569 120.519 119.950 -0.001 0.000 2.631 231 F HA 0.387 4.914 4.527 -0.000 0.000 0.328 231 F C 0.517 176.207 175.800 -0.184 0.000 1.067 231 F CA -1.112 56.838 58.000 -0.083 0.000 0.969 231 F CB 0.853 39.740 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 0.008 0.000 2.463 232 N HA 0.064 4.804 4.740 -0.000 0.000 0.270 232 N C 0.407 175.781 175.510 -0.227 0.000 1.205 232 N CA -0.160 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 -0.598 119.702 120.400 -0.167 0.000 2.254 233 D HA -0.272 4.368 4.640 -0.000 0.000 0.201 233 D C 0.372 176.534 176.300 -0.230 0.000 0.998 233 D CA 1.695 55.581 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 -1.951 118.355 120.400 -0.156 0.000 2.469 234 D HA 0.013 4.653 4.640 -0.000 0.000 0.215 234 D C 0.255 176.674 176.300 0.198 0.000 1.154 234 D CA -0.819 53.202 54.000 0.036 0.000 0.832 234 D CB -1.046 39.804 40.800 0.083 0.000 1.008 234 D HN 0.216 nan 8.370 nan 0.000 0.506 235 F N 0.463 120.468 119.950 0.092 0.000 2.988 235 F HA -0.283 4.244 4.527 -0.000 0.000 0.287 235 F C 1.651 177.523 175.800 0.120 0.000 0.781 235 F CA 0.721 58.793 58.000 0.120 0.000 1.221 235 F CB -2.471 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 -0.348 115.459 115.700 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 0.385 63.632 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 -1.226 175.096 176.300 0.037 0.000 1.071 237 R CA -0.289 55.835 56.100 0.040 0.000 0.915 237 R CB 1.254 31.555 30.300 0.001 0.000 1.228 237 R HN 0.176 nan 8.270 nan 0.000 0.449 238 A N 1.337 124.119 122.820 -0.064 0.000 2.435 238 A HA 0.828 5.148 4.320 -0.000 0.000 0.296 238 A C -1.057 176.433 177.584 -0.156 0.000 1.147 238 A CA -0.789 51.124 52.037 -0.207 0.000 0.775 238 A CB 2.157 21.012 19.000 -0.241 0.000 1.340 238 A HN 0.318 nan 8.150 nan 0.000 0.427 239 V N 1.326 121.120 119.914 -0.200 0.000 2.482 239 V HA 0.374 4.494 4.120 -0.000 0.000 0.295 239 V C -1.080 174.959 176.094 -0.092 0.000 1.026 239 V CA -0.447 61.784 62.300 -0.115 0.000 0.856 239 V CB 1.345 33.102 31.823 -0.110 0.000 1.001 239 V HN 0.801 nan 8.190 nan 0.000 0.424 240 L N 5.317 126.523 121.223 -0.029 0.000 2.276 240 L HA 0.606 4.946 4.340 -0.000 0.000 0.286 240 L C -0.027 176.806 176.870 -0.061 0.000 1.061 240 L CA 0.238 55.047 54.840 -0.052 0.000 0.807 240 L CB 1.038 43.092 42.059 -0.009 0.000 1.177 240 L HN 0.868 nan 8.230 nan 0.000 0.429 241 E N 4.841 124.999 120.200 -0.070 0.000 2.218 241 E HA 0.760 5.110 4.350 -0.000 0.000 0.263 241 E C -1.778 174.808 176.600 -0.024 0.000 0.879 241 E CA -0.817 55.555 56.400 -0.047 0.000 0.762 241 E CB 1.552 31.222 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 -0.732 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 2.213 122.404 120.200 -0.016 0.000 2.187 243 E HA 0.615 4.965 4.350 -0.000 0.000 0.268 243 E C -1.669 174.860 176.600 -0.120 0.000 0.896 243 E CA -0.528 55.819 56.400 -0.088 0.000 0.766 243 E CB 1.692 31.334 29.700 -0.097 0.000 1.142 243 E HN 0.383 nan 8.360 nan 0.000 0.408 244 V N 3.978 123.827 119.914 -0.108 0.000 2.604 244 V HA 0.357 4.477 4.120 -0.000 0.000 0.305 244 V C -0.574 175.526 176.094 0.011 0.000 1.043 244 V CA -0.828 61.441 62.300 -0.052 0.000 0.888 244 V CB 1.696 33.461 31.823 -0.097 0.000 0.995 244 V HN 0.748 nan 8.190 nan 0.000 0.429 245 Q N 4.167 124.009 119.800 0.070 0.000 2.365 245 Q HA 0.833 5.173 4.340 -0.000 0.000 0.269 245 Q C -0.830 175.256 176.000 0.142 0.000 1.061 245 Q CA -0.823 55.057 55.803 0.129 0.000 0.816 245 Q CB 2.819 31.570 28.738 0.022 0.000 1.325 245 Q HN 0.856 nan 8.270 nan 0.000 0.446 246 M N -0.879 118.783 119.600 0.103 0.000 2.662 246 M HA 0.776 5.256 4.480 -0.000 0.000 0.310 246 M C -1.312 174.896 176.300 -0.154 0.000 1.204 246 M CA -0.505 54.739 55.300 -0.093 0.000 0.891 246 M CB 2.114 34.482 32.600 -0.388 0.000 1.732 246 M HN 0.550 nan 8.290 nan 0.000 0.467 247 C N 1.513 120.711 119.300 -0.170 0.000 2.563 247 C HA 1.017 5.477 4.460 -0.000 0.000 0.314 247 C C 0.560 175.445 174.990 -0.175 0.000 1.199 247 C CA 0.943 59.873 59.018 -0.147 0.000 1.564 247 C CB 0.932 28.602 27.740 -0.117 0.000 2.173 247 C HN 1.304 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 -1.208 173.603 174.900 -0.148 0.000 1.299 248 G CA -0.482 44.530 45.100 -0.147 0.000 1.117 248 G HN 0.744 nan 8.290 nan 0.000 0.485 249 E N 0.444 120.557 120.200 -0.146 0.000 2.044 249 E HA 0.587 4.937 4.350 -0.000 0.000 0.282 249 E C 0.338 176.824 176.600 -0.190 0.000 1.031 249 E CA -0.401 55.921 56.400 -0.131 0.000 0.824 249 E CB 0.604 30.253 29.700 -0.084 0.000 1.076 249 E HN 0.523 nan 8.360 nan 0.000 0.395 250 L N 5.310 126.419 121.223 -0.190 0.000 2.410 250 L HA 0.321 4.661 4.340 -0.000 0.000 0.273 250 L C -0.005 176.747 176.870 -0.198 0.000 1.144 250 L CA 0.116 54.812 54.840 -0.239 0.000 0.863 250 L CB 0.211 42.148 42.059 -0.205 0.000 1.140 250 L HN 0.486 nan 8.230 nan 0.000 0.463 251 R N 2.580 122.905 120.500 -0.291 0.000 2.626 251 R HA 0.141 4.481 4.340 -0.000 0.000 0.274 251 R C -0.068 176.039 176.300 -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 31.606 30.300 -0.599 0.000 1.222 251 R HN 0.685 nan 8.270 nan 0.000 0.455 252 D N 1.386 121.732 120.400 -0.090 0.000 2.384 252 D HA -0.158 4.482 4.640 -0.000 0.000 0.222 252 D C 0.861 177.180 176.300 0.031 0.000 0.976 252 D CA 1.167 55.163 54.000 -0.005 0.000 0.915 252 D CB 0.003 40.846 40.800 0.072 0.000 0.896 252 D HN 0.688 nan 8.370 nan 0.000 0.523 253 Y N -0.600 119.701 120.300 0.001 0.000 2.468 253 Y HA 0.393 4.943 4.550 -0.000 0.000 0.268 253 Y C 0.857 176.753 175.900 -0.006 0.000 1.177 253 Y CA -0.948 57.154 58.100 0.003 0.000 1.265 253 Y CB -0.278 38.186 38.460 0.006 0.000 1.103 253 Y HN -0.236 nan 8.280 nan 0.000 0.522 254 L N 2.930 123.943 121.223 -0.350 0.000 2.397 254 L HA 0.393 4.733 4.340 -0.000 0.000 0.271 254 L C 0.189 176.995 176.870 -0.107 0.000 1.148 254 L CA -0.190 54.509 54.840 -0.236 0.000 0.825 254 L CB 0.626 42.544 42.059 -0.234 0.000 1.117 254 L HN 0.242 nan 8.230 nan 0.000 0.456 255 R N 2.036 122.379 120.500 -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 -0.511 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 0.660 120.374 119.914 -0.335 0.000 2.760 256 V HA 0.517 4.637 4.120 -0.000 0.000 0.309 256 V C -0.613 175.471 176.094 -0.016 0.000 1.077 256 V CA -0.627 61.554 62.300 -0.198 0.000 0.910 256 V CB 2.410 34.040 31.823 -0.323 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 0.672 5.022 4.350 -0.000 0.000 0.290 257 T C -0.851 173.861 174.700 0.019 0.000 1.000 257 T CA -0.492 61.662 62.100 0.089 0.000 0.978 257 T CB 1.864 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 3.296 123.204 119.914 -0.009 0.000 2.531 258 V HA 0.695 4.815 4.120 -0.000 0.000 0.301 258 V C -0.337 175.749 176.094 -0.013 0.000 1.034 258 V CA -0.838 61.453 62.300 -0.015 0.000 0.865 258 V CB 1.810 33.613 31.823 -0.034 0.000 0.995 258 V HN 1.065 nan 8.190 nan 0.000 0.424 259 S N 5.198 120.913 115.700 0.025 0.000 2.526 259 S HA 0.841 5.311 4.470 -0.000 0.000 0.293 259 S C -1.071 173.532 174.600 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 65.544 63.200 0.040 0.000 1.048 259 S HN 0.459 nan 8.310 nan 0.000 0.483 260 L N 2.224 123.338 121.223 -0.183 0.000 2.322 260 L HA 0.747 5.087 4.340 -0.000 0.000 0.281 260 L C -1.809 174.937 176.870 -0.207 0.000 1.014 260 L CA -0.439 54.377 54.840 -0.040 0.000 0.815 260 L CB 0.734 42.784 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 -0.554 176.097 176.519 0.220 0.000 1.077 261 W CA -0.585 56.852 57.345 0.153 0.000 1.226 261 W CB 1.571 31.073 29.460 0.070 0.000 1.419 261 W HN 0.420 nan 8.180 nan 0.000 0.502 262 Q N 2.422 122.463 119.800 0.402 0.000 2.721 262 Q HA 0.491 4.831 4.340 -0.000 0.000 0.257 262 Q C 0.732 176.816 176.000 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 29.109 28.738 0.088 0.000 1.163 262 Q HN 0.729 nan 8.270 nan 0.000 0.501 263 G N 2.328 111.203 108.800 0.125 0.000 2.675 263 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.312 263 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.312 263 G C 0.778 175.752 174.900 0.124 0.000 1.186 263 G CA 0.403 45.547 45.100 0.074 0.000 0.965 263 G HN 0.518 nan 8.290 nan 0.000 0.548 264 E N 1.378 121.652 120.200 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 1.248 115.988 114.554 0.310 0.000 2.856 265 T HA 0.176 4.526 4.350 -0.000 0.000 0.292 265 T C 0.043 174.861 174.700 0.197 0.000 0.980 265 T CA -0.366 61.887 62.100 0.256 0.000 1.091 265 T CB 1.451 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 2.756 122.399 119.800 -0.260 0.000 2.322 266 Q HA 0.286 4.626 4.340 -0.000 0.000 0.256 266 Q C 0.448 176.178 176.000 -0.449 0.000 0.960 266 Q CA -0.450 54.758 55.803 -0.991 0.000 0.934 266 Q CB 0.924 28.686 28.738 -1.627 0.000 1.200 266 Q HN 0.618 nan 8.270 nan 0.000 0.435 267 V N 1.848 121.558 119.914 -0.341 0.000 2.825 267 V HA 0.379 4.499 4.120 -0.000 0.000 0.246 267 V C 0.507 176.495 176.094 -0.176 0.000 1.068 267 V CA 0.813 63.021 62.300 -0.152 0.000 1.088 267 V CB -0.194 31.626 31.823 -0.004 0.000 0.733 267 V HN 0.718 nan 8.190 nan 0.000 0.468 268 A N -1.114 121.558 122.820 -0.246 0.000 2.594 268 A HA 0.744 5.064 4.320 -0.000 0.000 0.296 268 A C -0.808 176.652 177.584 -0.206 0.000 1.056 268 A CA -0.003 51.922 52.037 -0.187 0.000 0.693 268 A CB 1.663 20.591 19.000 -0.121 0.000 1.278 268 A HN 0.055 nan 8.150 nan 0.000 0.408 269 S N -0.954 114.655 115.700 -0.151 0.000 2.588 269 S HA 0.911 5.381 4.470 -0.000 0.000 0.275 269 S C -0.412 174.142 174.600 -0.077 0.000 1.130 269 S CA 0.128 58.257 58.200 -0.119 0.000 0.855 269 S CB 1.990 65.115 63.200 -0.125 0.000 1.116 269 S HN 2.264 nan 8.310 nan 0.000 0.472 270 G N 1.161 109.928 108.800 -0.055 0.000 2.759 270 G HA2 0.590 4.550 3.960 -0.000 0.000 0.297 270 G HA3 0.590 4.550 3.960 -0.000 0.000 0.297 270 G C -1.517 173.366 174.900 -0.028 0.000 1.434 270 G CA -0.360 44.713 45.100 -0.044 0.000 0.980 270 G HN 0.665 nan 8.290 nan 0.000 0.531 271 T N -0.133 114.408 114.554 -0.021 0.000 2.893 271 T HA 0.904 5.254 4.350 -0.000 0.000 0.293 271 T C -0.197 174.483 174.700 -0.034 0.000 1.027 271 T CA 0.146 62.246 62.100 -0.001 0.000 0.988 271 T CB 1.839 70.738 68.868 0.052 0.000 1.043 271 T HN 1.765 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 -1.384 50.592 52.037 -0.102 0.000 0.658 272 A CB 1.114 20.044 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 -0.114 0.000 1.293 273 P CA -0.491 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 1.812 59.775 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 0.834 109.752 108.800 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 -0.470 174.470 174.900 0.067 0.000 1.192 275 G CA -0.782 44.389 45.100 0.119 0.000 1.013 275 G HN 1.060 nan 8.290 nan 0.000 0.530 276 G N 0.656 109.512 108.800 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 0.074 175.007 174.900 0.054 0.000 1.310 276 G CA -0.330 44.817 45.100 0.079 0.000 1.027 276 G HN 0.889 nan 8.290 nan 0.000 0.505 277 E N -0.850 119.379 120.200 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 55.774 56.400 0.029 0.000 0.913 277 E CB 0.815 30.527 29.700 0.020 0.000 1.057 277 E HN 0.220 nan 8.360 nan 0.000 0.432 278 I N 1.611 122.189 120.570 0.013 0.000 2.710 278 I HA -0.055 4.115 4.170 -0.000 0.000 0.286 278 I C 1.036 177.159 176.117 0.009 0.000 1.181 278 I CA 0.683 61.983 61.300 0.001 0.000 1.430 278 I CB 0.190 38.186 38.000 -0.006 0.000 1.367 278 I HN 0.651 nan 8.210 nan 0.000 0.577 279 I N 0.893 121.461 120.570 -0.003 0.000 4.244 279 I HA 0.427 4.597 4.170 -0.000 0.000 0.318 279 I C -0.178 175.938 176.117 -0.002 0.000 1.282 279 I CA 0.171 61.480 61.300 0.014 0.000 1.276 279 I CB 0.357 38.390 38.000 0.054 0.000 1.183 279 I HN 0.607 nan 8.210 nan 0.000 0.431 280 D N -0.373 120.013 120.400 -0.024 0.000 2.946 280 D HA 0.189 4.829 4.640 -0.000 0.000 0.337 280 D C 0.371 176.655 176.300 -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 -0.870 119.316 120.200 -0.023 0.000 2.209 281 E HA -0.081 4.269 4.350 -0.000 0.000 0.196 281 E C 1.520 178.102 176.600 -0.031 0.000 0.993 281 E CA 1.133 57.519 56.400 -0.023 0.000 0.819 281 E CB -0.052 29.638 29.700 -0.017 0.000 0.745 281 E HN 0.253 nan 8.360 nan 0.000 0.477 282 R N -0.413 120.060 120.500 -0.045 0.000 2.300 282 R HA 0.265 4.605 4.340 -0.000 0.000 0.199 282 R C 0.955 177.214 176.300 -0.069 0.000 0.920 282 R CA 0.726 56.792 56.100 -0.056 0.000 1.046 282 R CB 0.766 31.026 30.300 -0.066 0.000 0.984 282 R HN 0.206 nan 8.270 nan 0.000 0.493 283 G N -0.374 108.384 108.800 -0.070 0.000 2.301 283 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.194 283 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.194 283 G C -0.393 174.449 174.900 -0.098 0.000 1.266 283 G CA -0.624 44.434 45.100 -0.070 0.000 1.210 283 G HN 0.426 nan 8.290 nan 0.000 0.524 284 G N -1.829 106.907 108.800 -0.106 0.000 3.251 284 G HA2 0.639 4.599 3.960 -0.000 0.000 0.248 284 G HA3 0.639 4.599 3.960 -0.000 0.000 0.248 284 G C -1.610 173.154 174.900 -0.226 0.000 1.320 284 G CA -0.746 44.283 45.100 -0.117 0.000 0.982 284 G HN 0.735 nan 8.290 nan 0.000 0.575 285 Y N 0.835 121.150 120.300 0.024 0.000 2.404 285 Y HA 0.460 5.010 4.550 -0.000 0.000 0.344 285 Y C 1.369 177.300 175.900 0.052 0.000 0.970 285 Y CA 0.024 58.145 58.100 0.035 0.000 1.180 285 Y CB 1.856 40.343 38.460 0.044 0.000 1.138 285 Y HN 0.535 nan 8.280 nan 0.000 0.510 286 A N 1.830 124.735 122.820 0.142 0.000 1.968 286 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 286 A C 1.325 179.006 177.584 0.162 0.000 1.169 286 A CA 1.470 53.574 52.037 0.110 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 -0.601 119.899 120.400 0.168 0.000 2.460 287 D HA 0.168 4.808 4.640 -0.000 0.000 0.229 287 D C 0.388 176.903 176.300 0.358 0.000 1.170 287 D CA -0.073 53.989 54.000 0.104 0.000 0.827 287 D CB -0.084 40.717 40.800 0.003 0.000 0.973 287 D HN 0.399 nan 8.370 nan 0.000 0.496 288 R N -0.995 119.777 120.500 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 55.090 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 0.119 119.958 119.914 -0.125 0.000 3.077 289 V HA 0.501 4.621 4.120 -0.000 0.000 0.299 289 V C -1.678 174.312 176.094 -0.174 0.000 1.276 289 V CA -0.256 61.906 62.300 -0.230 0.000 0.993 289 V CB 2.755 34.269 31.823 -0.515 0.000 1.076 289 V HN 0.819 nan 8.190 nan 0.000 0.434 290 T N 6.919 121.399 114.554 -0.123 0.000 2.841 290 T HA 0.744 5.094 4.350 -0.000 0.000 0.285 290 T C -1.056 173.594 174.700 -0.084 0.000 0.991 290 T CA -0.269 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 0.383 177.221 176.870 -0.052 0.000 1.013 291 L CA -0.707 54.092 54.840 -0.068 0.000 0.816 291 L CB 1.304 43.319 42.059 -0.074 0.000 1.287 291 L HN 0.396 nan 8.230 nan 0.000 0.435 292 R N 2.734 123.204 120.500 -0.050 0.000 2.435 292 R HA 0.635 4.975 4.340 -0.000 0.000 0.308 292 R C -1.482 174.789 176.300 -0.048 0.000 0.975 292 R CA -0.598 55.473 56.100 -0.048 0.000 0.867 292 R CB 1.360 31.633 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 0.069 176.909 176.870 -0.050 0.000 1.024 293 L CA -0.915 53.896 54.840 -0.049 0.000 0.810 293 L CB 1.426 43.458 42.059 -0.046 0.000 1.240 293 L HN 0.471 nan 8.230 nan 0.000 0.427 294 N N 2.020 120.685 118.700 -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 -0.336 52.674 53.050 -0.066 0.000 0.951 294 N CB 2.897 41.349 38.487 -0.059 0.000 1.164 294 N HN 0.208 nan 8.380 nan 0.000 0.480 295 V N 1.865 121.714 119.914 -0.108 0.000 2.525 295 V HA 0.199 4.319 4.120 -0.000 0.000 0.299 295 V C -0.149 175.863 176.094 -0.136 0.000 1.034 295 V CA -0.852 61.352 62.300 -0.159 0.000 0.863 295 V CB 2.151 33.789 31.823 -0.309 0.000 0.999 295 V HN 0.521 nan 8.190 nan 0.000 0.423 296 E N 3.626 123.768 120.200 -0.095 0.000 2.301 296 E HA 0.292 4.642 4.350 -0.000 0.000 0.275 296 E C -0.016 176.554 176.600 -0.050 0.000 1.030 296 E CA -0.351 56.016 56.400 -0.056 0.000 0.852 296 E CB 0.721 30.401 29.700 -0.034 0.000 1.060 296 E HN 0.693 nan 8.360 nan 0.000 0.401 297 N N 1.312 120.003 118.700 -0.015 0.000 2.699 297 N HA -0.131 4.609 4.740 -0.000 0.000 0.256 297 N C -2.353 173.149 175.510 -0.012 0.000 0.993 297 N CA 0.395 53.451 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 0.111 177.415 177.300 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 -0.598 0.000 0.923 299 K N 1.400 121.893 120.400 0.154 0.000 2.234 299 K HA 0.367 4.687 4.320 -0.000 0.000 0.277 299 K C -0.155 176.603 176.600 0.264 0.000 1.038 299 K CA -0.313 56.078 56.287 0.173 0.000 0.888 299 K CB 0.191 32.766 32.500 0.125 0.000 1.091 299 K HN 0.368 nan 8.250 nan 0.000 0.467 300 L N 2.714 124.013 121.223 0.126 0.000 2.395 300 L HA 0.347 4.687 4.340 -0.000 0.000 0.269 300 L C -0.068 176.878 176.870 0.127 0.000 1.133 300 L CA -0.727 54.193 54.840 0.133 0.000 0.812 300 L CB 0.500 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 3.093 124.420 121.300 0.044 0.000 2.381 301 W HA 0.504 5.164 4.660 -0.000 0.000 0.329 301 W C -0.023 176.442 176.519 -0.089 0.000 1.157 301 W CA 0.105 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 0.629 nan 8.180 nan 0.000 0.579 302 S N 2.878 117.880 115.700 -1.163 0.000 2.595 302 S HA 0.561 5.031 4.470 -0.000 0.000 0.270 302 S C 0.026 173.839 174.600 -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 1.145 nan 8.310 nan 0.000 0.461 303 A N 0.798 123.053 122.820 -0.942 0.000 2.019 303 A HA 0.031 4.351 4.320 -0.000 0.000 0.219 303 A C 1.776 179.031 177.584 -0.547 0.000 1.164 303 A CA 1.681 53.147 52.037 -0.952 0.000 0.644 303 A CB -1.027 17.228 19.000 -1.242 0.000 0.805 303 A HN 0.891 nan 8.150 nan 0.000 0.449 304 E N -0.865 119.148 120.200 -0.312 0.000 2.072 304 E HA -0.004 4.346 4.350 -0.000 0.000 0.191 304 E C -0.219 176.223 176.600 -0.265 0.000 0.985 304 E CA 0.825 57.099 56.400 -0.210 0.000 0.801 304 E CB -0.029 29.680 29.700 0.014 0.000 0.750 304 E HN 0.620 nan 8.360 nan 0.000 0.452 305 I N 0.911 121.274 120.570 -0.346 0.000 2.576 305 I HA 0.142 4.312 4.170 -0.000 0.000 0.279 305 I C -2.615 173.220 176.117 -0.469 0.000 1.114 305 I CA -1.887 59.230 61.300 -0.305 0.000 1.076 305 I CB 2.252 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 -0.141 62.616 63.100 -0.571 0.000 0.990 306 P CB -0.370 31.225 31.700 -0.174 0.000 1.973 307 N N 1.579 120.269 118.700 -0.018 0.000 2.447 307 N HA 0.104 4.844 4.740 -0.000 0.000 0.263 307 N C 0.104 175.815 175.510 0.336 0.000 1.226 307 N CA 0.443 53.562 53.050 0.116 0.000 0.906 307 N CB 0.745 39.287 38.487 0.092 0.000 1.060 307 N HN 0.256 nan 8.380 nan 0.000 0.468 308 L N 2.196 123.529 121.223 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 -0.157 120.271 120.300 0.212 0.000 2.605 309 Y HA 0.578 5.128 4.550 -0.000 0.000 0.343 309 Y C -0.361 175.644 175.900 0.175 0.000 1.036 309 Y CA -0.800 57.433 58.100 0.221 0.000 1.065 309 Y CB 2.112 40.758 38.460 0.310 0.000 1.288 309 Y HN 0.377 nan 8.280 nan 0.000 0.481 310 R N 1.136 121.868 120.500 0.387 0.000 2.562 310 R HA 0.876 5.216 4.340 -0.000 0.000 0.298 310 R C -1.534 174.955 176.300 0.316 0.000 0.961 310 R CA -0.678 55.582 56.100 0.266 0.000 0.881 310 R CB 1.205 31.582 30.300 0.129 0.000 1.159 310 R HN 0.799 nan 8.270 nan 0.000 0.450 311 A N 3.544 126.492 122.820 0.214 0.000 2.355 311 A HA 0.617 4.937 4.320 -0.000 0.000 0.317 311 A C -1.198 176.459 177.584 0.120 0.000 1.094 311 A CA -0.655 51.499 52.037 0.196 0.000 0.764 311 A CB 1.600 20.694 19.000 0.156 0.000 1.230 311 A HN 0.447 nan 8.150 nan 0.000 0.448 312 V N 2.020 122.010 119.914 0.126 0.000 2.487 312 V HA 0.517 4.637 4.120 -0.000 0.000 0.298 312 V C -0.438 175.641 176.094 -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 33.291 31.823 0.041 0.000 0.991 312 V HN 0.597 nan 8.190 nan 0.000 0.427 313 V N 4.805 124.643 119.914 -0.128 0.000 2.313 313 V HA 0.433 4.553 4.120 -0.000 0.000 0.278 313 V C -0.031 176.007 176.094 -0.093 0.000 1.017 313 V CA -0.483 61.712 62.300 -0.174 0.000 0.823 313 V CB 1.007 32.574 31.823 -0.428 0.000 1.010 313 V HN 1.039 nan 8.190 nan 0.000 0.443 314 E N 5.047 125.243 120.200 -0.006 0.000 2.165 314 E HA 0.566 4.916 4.350 -0.000 0.000 0.266 314 E C -1.067 175.636 176.600 0.172 0.000 0.889 314 E CA -1.056 55.392 56.400 0.079 0.000 0.756 314 E CB 2.713 32.468 29.700 0.091 0.000 1.131 314 E HN 0.405 nan 8.360 nan 0.000 0.411 315 L N 5.445 126.734 121.223 0.110 0.000 2.255 315 L HA 0.285 4.625 4.340 -0.000 0.000 0.289 315 L C -0.696 176.241 176.870 0.112 0.000 1.046 315 L CA 0.057 54.930 54.840 0.056 0.000 0.816 315 L CB -0.230 41.834 42.059 0.009 0.000 1.197 315 L HN 0.699 nan 8.230 nan 0.000 0.427 316 H N 1.168 120.255 119.070 0.028 0.000 2.931 316 H HA 0.611 5.167 4.556 -0.000 0.000 0.302 316 H C -0.911 174.452 175.328 0.059 0.000 1.368 316 H CA -0.328 55.743 56.048 0.038 0.000 1.165 316 H CB 0.886 30.669 29.762 0.034 0.000 1.871 316 H HN 0.462 nan 8.280 nan 0.000 0.553 317 T N -2.856 111.826 114.554 0.213 0.000 2.881 317 T HA 0.534 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 70.446 68.868 0.319 0.000 1.058 317 T HN 0.777 nan 8.240 nan 0.000 0.529 318 A N 1.034 123.995 122.820 0.235 0.000 1.940 318 A HA -0.104 4.216 4.320 -0.000 0.000 0.219 318 A C 1.855 179.539 177.584 0.166 0.000 1.176 318 A CA 2.094 54.245 52.037 0.191 0.000 0.631 318 A CB -1.425 17.670 19.000 0.159 0.000 0.814 318 A HN 1.046 nan 8.150 nan 0.000 0.446 319 D N -2.457 118.028 120.400 0.142 0.000 2.182 319 D HA 0.206 4.846 4.640 -0.000 0.000 0.201 319 D C 1.263 177.615 176.300 0.086 0.000 0.986 319 D CA 1.487 55.539 54.000 0.088 0.000 0.847 319 D CB -0.260 40.573 40.800 0.055 0.000 0.942 319 D HN 0.806 nan 8.370 nan 0.000 0.467 320 G N -1.478 107.401 108.800 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 1.917 116.540 114.554 0.115 0.000 2.814 321 T HA 0.473 4.823 4.350 -0.000 0.000 0.297 321 T C 0.246 175.032 174.700 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 70.491 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 0.584 177.512 176.870 0.097 0.000 1.106 322 L CA 0.130 55.041 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 3.122 123.750 120.570 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 0.929 62.256 61.300 0.044 0.000 1.438 323 I CB -0.299 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 -1.622 175.004 176.600 0.043 0.000 1.132 324 E CA -1.038 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 0.917 123.791 122.820 0.090 0.000 2.539 325 A HA 0.754 5.074 4.320 -0.000 0.000 0.296 325 A C -1.271 176.440 177.584 0.212 0.000 1.073 325 A CA -0.695 51.402 52.037 0.100 0.000 0.700 325 A CB 1.971 21.019 19.000 0.079 0.000 1.296 325 A HN 0.495 nan 8.150 nan 0.000 0.405 326 E N -0.533 119.722 120.200 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 0.027 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 1.190 nan 8.360 nan 0.000 0.451 327 A N 0.176 123.126 122.820 0.217 0.000 2.588 327 A HA 0.862 5.182 4.320 -0.000 0.000 0.290 327 A C -1.158 176.606 177.584 0.299 0.000 1.136 327 A CA -0.324 51.777 52.037 0.105 0.000 0.681 327 A CB 1.110 20.040 19.000 -0.116 0.000 1.282 327 A HN 0.949 nan 8.150 nan 0.000 0.421 328 C N -0.786 118.648 119.300 0.223 0.000 3.303 328 C HA 0.689 5.149 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 0.205 0.000 1.234 328 C CB 0.799 28.676 27.740 0.228 0.000 1.532 328 C HN 0.847 nan 8.230 nan 0.000 0.483 329 D N 0.969 121.426 120.400 0.096 0.000 2.302 329 D HA 0.542 5.182 4.640 -0.000 0.000 0.248 329 D C -0.474 175.859 176.300 0.057 0.000 1.094 329 D CA 0.138 54.196 54.000 0.096 0.000 0.897 329 D CB 2.112 42.969 40.800 0.095 0.000 1.200 329 D HN 0.521 nan 8.370 nan 0.000 0.429 330 V N 0.751 120.728 119.914 0.105 0.000 2.656 330 V HA 0.649 4.769 4.120 -0.000 0.000 0.307 330 V C 0.380 176.521 176.094 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 33.999 31.823 -0.012 0.000 0.999 330 V HN 0.667 nan 8.190 nan 0.000 0.426 331 G N 2.763 111.499 108.800 -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 -0.018 0.000 1.369 331 G CA -0.406 44.705 45.100 0.018 0.000 0.958 331 G HN 0.404 nan 8.290 nan 0.000 0.499 332 F N 2.277 122.411 119.950 0.305 0.000 2.413 332 F HA 0.563 5.090 4.527 -0.000 0.000 0.359 332 F C 0.940 176.966 175.800 0.376 0.000 1.122 332 F CA -0.255 57.975 58.000 0.383 0.000 1.160 332 F CB 1.095 40.345 39.000 0.417 0.000 1.146 332 F HN 0.534 nan 8.300 nan 0.000 0.514 333 R N 1.234 122.022 120.500 0.480 0.000 2.664 333 R HA 0.482 4.822 4.340 -0.000 0.000 0.266 333 R C -1.721 174.720 176.300 0.236 0.000 1.046 333 R CA -1.113 55.120 56.100 0.221 0.000 0.885 333 R CB 1.537 31.987 30.300 0.251 0.000 1.254 333 R HN 0.467 nan 8.270 nan 0.000 0.465 334 E N 2.019 122.262 120.200 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 -0.986 55.518 56.400 0.172 0.000 0.759 334 E CB 2.118 31.969 29.700 0.252 0.000 1.148 334 E HN 0.419 nan 8.360 nan 0.000 0.412 335 V N 5.529 125.502 119.914 0.099 0.000 2.384 335 V HA 0.563 4.683 4.120 -0.000 0.000 0.287 335 V C -0.212 175.918 176.094 0.060 0.000 1.020 335 V CA -0.530 61.802 62.300 0.054 0.000 0.850 335 V CB 1.124 32.960 31.823 0.021 0.000 0.987 335 V HN 0.749 nan 8.190 nan 0.000 0.436 336 R N 4.422 124.954 120.500 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 -0.868 55.264 56.100 0.053 0.000 0.889 336 R CB 1.715 32.059 30.300 0.073 0.000 1.241 336 R HN 0.509 nan 8.270 nan 0.000 0.463 337 I N 1.970 122.563 120.570 0.037 0.000 2.312 337 I HA 0.305 4.475 4.170 -0.000 0.000 0.290 337 I C -0.512 175.624 176.117 0.031 0.000 1.008 337 I CA -0.278 61.039 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 0.704 nan 8.210 nan 0.000 0.468 338 E N 6.437 126.652 120.200 0.025 0.000 2.263 338 E HA 0.232 4.582 4.350 -0.000 0.000 0.268 338 E C -0.248 176.363 176.600 0.018 0.000 0.884 338 E CA -0.638 55.778 56.400 0.027 0.000 0.766 338 E CB 1.077 30.798 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 0.007 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 0.011 0.000 0.959 339 N HN 1.023 nan 8.380 nan 0.000 0.544 340 G N -2.203 106.602 108.800 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 0.513 45.613 45.100 0.000 0.000 0.641 340 G HN 0.491 nan 8.290 nan 0.000 0.530 341 L N -0.019 121.200 121.223 -0.007 0.000 2.362 341 L HA 0.740 5.080 4.340 -0.000 0.000 0.271 341 L C -0.050 176.810 176.870 -0.016 0.000 1.002 341 L CA -1.351 53.478 54.840 -0.018 0.000 0.818 341 L CB 1.902 43.950 42.059 -0.019 0.000 1.298 341 L HN 0.090 nan 8.230 nan 0.000 0.420 342 L N 3.982 125.184 121.223 -0.035 0.000 2.278 342 L HA 0.502 4.842 4.340 -0.000 0.000 0.287 342 L C -0.915 175.932 176.870 -0.038 0.000 1.072 342 L CA 0.324 55.143 54.840 -0.035 0.000 0.819 342 L CB 0.480 42.506 42.059 -0.056 0.000 1.176 342 L HN 0.390 nan 8.230 nan 0.000 0.435 343 L N 5.942 127.158 121.223 -0.012 0.000 2.342 343 L HA 0.578 4.918 4.340 -0.000 0.000 0.271 343 L C -0.809 176.067 176.870 0.010 0.000 1.008 343 L CA -0.759 54.082 54.840 0.003 0.000 0.818 343 L CB 1.990 44.072 42.059 0.038 0.000 1.296 343 L HN 0.575 nan 8.230 nan 0.000 0.427 344 L N 3.316 124.554 121.223 0.024 0.000 2.372 344 L HA 0.483 4.823 4.340 -0.000 0.000 0.274 344 L C -0.418 176.494 176.870 0.069 0.000 0.988 344 L CA -0.258 54.608 54.840 0.045 0.000 0.833 344 L CB 0.975 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 4.112 122.760 118.700 -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 -0.337 0.000 1.033 345 N CA 1.403 54.167 53.050 -0.477 0.000 0.727 345 N CB -1.071 37.013 38.487 -0.673 0.000 0.950 345 N HN 1.154 nan 8.380 nan 0.000 0.541 346 G N -2.154 106.669 108.800 0.038 0.000 2.284 346 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.230 346 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.230 346 G C 0.019 174.970 174.900 0.084 0.000 1.021 346 G CA 0.672 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 1.234 121.673 120.400 0.066 0.000 2.139 347 K HA 0.597 4.917 4.320 -0.000 0.000 0.243 347 K C -3.040 173.546 176.600 -0.023 0.000 0.983 347 K CA -2.010 54.271 56.287 -0.011 0.000 0.890 347 K CB 2.209 34.627 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 -0.237 177.004 177.300 -0.097 0.000 1.331 348 P CA -0.376 62.684 63.100 -0.067 0.000 0.803 348 P CB 0.684 32.346 31.700 -0.063 0.000 0.929 349 L N 3.410 124.569 121.223 -0.106 0.000 2.466 349 L HA 0.346 4.686 4.340 -0.000 0.000 0.257 349 L C 0.468 177.259 176.870 -0.132 0.000 1.189 349 L CA -0.613 54.152 54.840 -0.126 0.000 0.813 349 L CB 0.425 42.374 42.059 -0.183 0.000 1.118 349 L HN 0.235 nan 8.230 nan 0.000 0.471 350 L N 3.116 124.274 121.223 -0.108 0.000 2.485 350 L HA 0.398 4.738 4.340 -0.000 0.000 0.260 350 L C -0.606 176.210 176.870 -0.090 0.000 0.998 350 L CA -0.269 54.494 54.840 -0.128 0.000 0.883 350 L CB 0.866 42.881 42.059 -0.074 0.000 1.196 350 L HN 0.213 nan 8.230 nan 0.000 0.443 351 I N 4.314 124.764 120.570 -0.199 0.000 2.505 351 I HA 0.147 4.317 4.170 -0.000 0.000 0.287 351 I C 0.647 176.694 176.117 -0.115 0.000 1.104 351 I CA 0.314 61.500 61.300 -0.190 0.000 1.387 351 I CB 0.291 38.053 38.000 -0.397 0.000 1.404 351 I HN 0.532 nan 8.210 nan 0.000 0.528 352 R N 4.789 125.302 120.500 0.022 0.000 2.937 352 R HA 0.466 4.806 4.340 -0.000 0.000 0.264 352 R C 0.536 176.913 176.300 0.129 0.000 1.334 352 R CA -0.265 55.881 56.100 0.078 0.000 1.516 352 R CB 0.814 31.029 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 44.645 45.100 0.088 0.000 0.989 353 G HN 0.228 nan 8.290 nan 0.000 0.490 354 V N -0.240 120.010 119.914 0.560 0.000 3.048 354 V HA 0.483 4.603 4.120 -0.000 0.000 0.303 354 V C -1.314 174.939 176.094 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 3.874 122.635 118.700 0.101 0.000 2.498 355 N HA 0.553 5.293 4.740 -0.000 0.000 0.287 355 N C -0.832 174.490 175.510 -0.313 0.000 1.097 355 N CA -0.439 52.537 53.050 -0.123 0.000 0.973 355 N CB 1.800 40.222 38.487 -0.109 0.000 1.153 355 N HN 0.686 nan 8.380 nan 0.000 0.472 356 R N 1.588 121.861 120.500 -0.377 0.000 2.522 356 R HA 0.247 4.587 4.340 -0.000 0.000 0.283 356 R C -1.198 174.866 176.300 -0.395 0.000 1.074 356 R CA -0.553 55.346 56.100 -0.334 0.000 0.925 356 R CB 1.020 31.129 30.300 -0.317 0.000 1.205 356 R HN 0.579 nan 8.270 nan 0.000 0.436 357 H N 2.002 120.943 119.070 -0.215 0.000 2.495 357 H HA 0.186 4.742 4.556 -0.000 0.000 0.350 357 H C -0.533 174.795 175.328 0.000 0.000 1.202 357 H CA -0.217 55.787 56.048 -0.074 0.000 1.322 357 H CB 1.645 31.415 29.762 0.014 0.000 1.544 357 H HN 0.567 nan 8.280 nan 0.000 0.565 358 E N 1.635 122.030 120.200 0.324 0.000 1.963 358 E HA 0.112 4.462 4.350 -0.000 0.000 0.274 358 E C -0.771 175.966 176.600 0.228 0.000 1.061 358 E CA -0.032 56.470 56.400 0.171 0.000 0.847 358 E CB 0.223 30.022 29.700 0.166 0.000 1.083 358 E HN 0.390 nan 8.360 nan 0.000 0.402 359 H N 1.563 120.682 119.070 0.082 0.000 2.947 359 H HA 0.235 4.791 4.556 -0.000 0.000 0.354 359 H C -1.661 173.703 175.328 0.060 0.000 1.085 359 H CA -0.694 55.396 56.048 0.069 0.000 1.253 359 H CB 1.080 30.877 29.762 0.058 0.000 1.757 359 H HN 0.367 nan 8.280 nan 0.000 0.523 360 H N 6.504 125.200 119.070 -0.623 0.000 2.744 360 H HA 0.202 4.758 4.556 -0.000 0.000 0.339 360 H C -2.224 172.660 175.328 -0.741 0.000 1.004 360 H CA -2.453 53.288 56.048 -0.511 0.000 1.257 360 H CB 2.494 32.090 29.762 -0.276 0.000 1.552 360 H HN 0.563 nan 8.280 nan 0.000 0.522 361 P HA -0.135 nan 4.420 nan 0.000 0.218 361 P C 1.208 178.379 177.300 -0.215 0.000 1.146 361 P CA 1.011 63.892 63.100 -0.365 0.000 0.813 361 P CB 0.749 32.264 31.700 -0.309 0.000 0.778 362 L N -2.125 119.108 121.223 0.017 0.000 2.349 362 L HA 0.105 4.445 4.340 -0.000 0.000 0.200 362 L C 2.462 179.271 176.870 -0.103 0.000 1.064 362 L CA 0.616 55.417 54.840 -0.065 0.000 0.821 362 L CB -0.757 41.156 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 1.461 176.671 175.328 -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 -0.447 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 0.499 175.313 174.900 -0.144 0.000 1.146 364 G CA 0.243 45.209 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 0.298 176.333 176.000 0.057 0.000 0.896 365 Q CA -0.043 55.715 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 1.827 121.779 119.914 0.062 0.000 2.432 366 V HA 0.233 4.353 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 -0.203 62.155 62.300 0.096 0.000 0.925 366 V CB 1.034 32.869 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 0.052 0.000 2.528 367 M HA 0.581 5.061 4.480 -0.000 0.000 0.318 367 M C -0.562 175.681 176.300 -0.095 0.000 1.195 367 M CA -0.546 54.743 55.300 -0.018 0.000 1.000 367 M CB 1.652 34.208 32.600 -0.073 0.000 1.615 367 M HN 0.965 nan 8.290 nan 0.000 0.469 368 D N -2.124 118.234 120.400 -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 1.422 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 0.318 120.518 120.200 0.001 0.000 2.082 369 E HA -0.431 3.919 4.350 -0.000 0.000 0.215 369 E C 1.590 178.244 176.600 0.090 0.000 1.048 369 E CA 2.175 58.613 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 -0.654 119.197 119.800 0.085 0.000 2.047 370 Q HA -0.233 4.107 4.340 -0.000 0.000 0.211 370 Q C 2.365 178.429 176.000 0.107 0.000 1.005 370 Q CA 2.704 58.565 55.803 0.095 0.000 0.866 370 Q CB -0.435 28.360 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 -0.182 4.298 4.480 -0.000 0.000 0.256 372 M C 2.495 178.924 176.300 0.215 0.000 1.072 372 M CA 1.715 57.171 55.300 0.259 0.000 1.090 372 M CB -1.011 31.772 32.600 0.305 0.000 1.294 372 M HN 0.116 nan 8.290 nan 0.000 0.415 373 V N -0.097 119.891 119.914 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 2.034 64.340 62.300 0.010 0.000 1.051 373 V CB -0.966 30.881 31.823 0.041 0.000 0.658 373 V HN 0.545 nan 8.190 nan 0.000 0.455 374 Q N -0.270 119.575 119.800 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 2.266 58.126 55.803 0.095 0.000 0.851 374 Q CB -0.184 28.627 28.738 0.121 0.000 0.911 374 Q HN 0.644 nan 8.270 nan 0.000 0.418 375 D N 0.243 120.746 120.400 0.172 0.000 2.106 375 D HA -0.197 4.443 4.640 -0.000 0.000 0.191 375 D C 1.902 178.183 176.300 -0.031 0.000 0.997 375 D CA 1.279 55.389 54.000 0.184 0.000 0.834 375 D CB -0.374 40.517 40.800 0.152 0.000 0.956 375 D HN 0.330 nan 8.370 nan 0.000 0.448 376 I N 0.603 121.133 120.570 -0.066 0.000 2.118 376 I HA -0.281 3.889 4.170 -0.000 0.000 0.241 376 I C 2.526 178.522 176.117 -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 2.623 179.557 176.870 0.107 0.000 1.076 377 L CA 1.367 56.202 54.840 -0.008 0.000 0.749 377 L CB -0.599 41.476 42.059 0.026 0.000 0.893 377 L HN 0.298 nan 8.230 nan 0.000 0.432 378 L N -0.928 120.383 121.223 0.146 0.000 1.989 378 L HA -0.277 4.063 4.340 -0.000 0.000 0.211 378 L C 2.759 179.788 176.870 0.264 0.000 1.071 378 L CA 1.599 56.604 54.840 0.275 0.000 0.749 378 L CB -0.406 41.941 42.059 0.481 0.000 0.890 378 L HN 0.325 nan 8.230 nan 0.000 0.431 379 M N -0.558 119.058 119.600 0.027 0.000 2.082 379 M HA -0.280 4.200 4.480 -0.000 0.000 0.258 379 M C 2.326 178.698 176.300 0.121 0.000 1.071 379 M CA 1.882 57.130 55.300 -0.087 0.000 1.103 379 M CB -0.557 31.780 32.600 -0.439 0.000 1.307 379 M HN 0.129 nan 8.290 nan 0.000 0.409 380 K N 0.240 120.612 120.400 -0.046 0.000 2.074 380 K HA -0.221 4.099 4.320 -0.000 0.000 0.209 380 K C 1.940 178.520 176.600 -0.034 0.000 1.048 380 K CA 1.655 57.809 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 0.171 120.115 119.800 0.240 0.000 2.291 381 Q HA -0.051 4.289 4.340 -0.000 0.000 0.205 381 Q C 0.860 177.146 176.000 0.476 0.000 0.970 381 Q CA 0.736 56.801 55.803 0.437 0.000 0.876 381 Q CB 0.065 29.029 28.738 0.376 0.000 0.935 381 Q HN 0.304 nan 8.270 nan 0.000 0.455 382 N N 0.848 119.797 118.700 0.415 0.000 2.320 382 N HA 0.052 4.792 4.740 -0.000 0.000 0.237 382 N C -0.686 174.972 175.510 0.247 0.000 1.129 382 N CA -0.010 53.286 53.050 0.411 0.000 0.854 382 N CB 0.618 39.415 38.487 0.518 0.000 1.083 382 N HN 0.166 nan 8.380 nan 0.000 0.504 383 N N 0.192 119.021 118.700 0.216 0.000 2.776 383 N HA -0.178 4.562 4.740 -0.000 0.000 0.249 383 N C -0.881 174.543 175.510 -0.144 0.000 1.111 383 N CA 0.840 53.929 53.050 0.064 0.000 0.711 383 N CB -1.772 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 0.988 120.952 119.950 0.024 0.000 2.399 384 F HA 0.386 4.913 4.527 -0.000 0.000 0.328 384 F C 1.753 177.548 175.800 -0.008 0.000 1.084 384 F CA -0.567 57.434 58.000 0.001 0.000 1.053 384 F CB 0.919 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 -0.884 174.693 175.510 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 39.327 38.487 0.164 0.000 1.118 385 N HN 0.485 nan 8.380 nan 0.000 0.511 386 A N -0.437 122.513 122.820 0.216 0.000 2.606 386 A HA 0.784 5.104 4.320 -0.000 0.000 0.293 386 A C -1.708 176.101 177.584 0.376 0.000 1.082 386 A CA -0.595 51.628 52.037 0.309 0.000 0.685 386 A CB 1.727 20.958 19.000 0.385 0.000 1.284 386 A HN 0.375 nan 8.150 nan 0.000 0.408 387 V N 0.688 120.858 119.914 0.426 0.000 3.012 387 V HA 0.836 4.956 4.120 -0.000 0.000 0.307 387 V C -0.931 175.270 176.094 0.178 0.000 1.166 387 V CA -0.730 61.772 62.300 0.337 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 4.488 124.938 120.500 -0.083 0.000 2.387 388 R HA 0.510 4.850 4.340 -0.000 0.000 0.314 388 R C -0.831 175.318 176.300 -0.252 0.000 0.958 388 R CA -0.484 55.409 56.100 -0.344 0.000 0.846 388 R CB 1.222 31.056 30.300 -0.776 0.000 1.147 388 R HN 0.858 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 0.550 175.243 174.990 -0.495 0.000 1.044 389 C CA -0.467 58.382 59.018 -0.283 0.000 1.117 389 C CB -2.139 25.543 27.740 -0.097 0.000 1.393 389 C HN 0.689 nan 8.230 nan 0.000 0.611 390 S N 1.494 116.774 115.700 -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 0.109 57.593 58.200 -1.194 0.000 1.066 390 S CB 0.098 62.531 63.200 -1.278 0.000 0.929 390 S HN 0.739 nan 8.310 nan 0.000 0.494 391 H N 3.432 121.852 119.070 -1.083 0.000 2.597 391 H HA 0.297 4.853 4.556 -0.000 0.000 0.225 391 H C -1.191 173.993 175.328 -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 -2.694 117.706 120.300 0.167 0.000 2.774 392 Y HA 0.437 4.987 4.550 -0.000 0.000 0.346 392 Y C -3.304 172.696 175.900 0.166 0.000 1.222 392 Y CA -3.037 55.169 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 63.413 63.100 0.431 0.000 0.780 393 P CB 0.678 32.568 31.700 0.316 0.000 0.901 394 N N 0.153 119.154 118.700 0.501 0.000 2.491 394 N HA 0.111 4.851 4.740 -0.000 0.000 0.279 394 N C 0.003 175.763 175.510 0.416 0.000 1.236 394 N CA -0.625 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 2.209 121.389 119.070 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 -1.120 55.046 56.048 0.197 0.000 1.460 395 H CB 0.911 30.740 29.762 0.112 0.000 1.493 395 H HN 0.419 nan 8.280 nan 0.000 0.559 396 P HA -0.282 nan 4.420 nan 0.000 0.219 396 P C 1.881 179.496 177.300 0.525 0.000 1.158 396 P CA 1.022 64.340 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 -1.181 120.419 121.223 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 0.415 0.000 1.080 397 L CA 1.666 56.816 54.840 0.518 0.000 0.754 397 L CB -1.428 40.941 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 2.313 178.744 176.519 -0.145 0.000 1.272 398 W CA 2.268 59.567 57.345 -0.077 0.000 1.262 398 W CB -0.593 28.679 29.460 -0.312 0.000 1.151 398 W HN 0.284 nan 8.180 nan 0.000 0.473 399 Y N 0.711 120.989 120.300 -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 2.254 60.087 58.100 -0.444 0.000 1.181 399 Y CB -1.469 36.431 38.460 -0.934 0.000 0.976 399 Y HN -0.143 nan 8.280 nan 0.000 0.520 400 T N 0.568 115.160 114.554 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 1.378 63.568 62.100 0.150 0.000 1.146 400 T CB -0.571 68.434 68.868 0.228 0.000 0.865 400 T HN 0.231 nan 8.240 nan 0.000 0.435 401 L N 0.460 121.696 121.223 0.022 0.000 2.042 401 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 401 L C 2.907 179.777 176.870 -0.000 0.000 1.076 401 L CA 1.068 55.944 54.840 0.060 0.000 0.749 401 L CB -0.775 41.300 42.059 0.026 0.000 0.893 401 L HN 0.388 nan 8.230 nan 0.000 0.432 402 C N -0.344 118.786 119.300 -0.284 0.000 2.425 402 C HA -0.151 4.309 4.460 -0.000 0.000 0.277 402 C C 2.447 177.450 174.990 0.022 0.000 1.280 402 C CA 0.388 59.251 59.018 -0.258 0.000 1.744 402 C CB -0.829 26.631 27.740 -0.468 0.000 1.989 402 C HN 0.546 nan 8.230 nan 0.000 0.491 403 D N 0.422 120.837 120.400 0.024 0.000 2.123 403 D HA -0.118 4.522 4.640 -0.000 0.000 0.196 403 D C 2.352 178.804 176.300 0.253 0.000 0.992 403 D CA 1.316 55.393 54.000 0.129 0.000 0.833 403 D CB -0.323 40.525 40.800 0.079 0.000 0.954 403 D HN 0.469 nan 8.370 nan 0.000 0.455 404 R N -0.852 119.704 120.500 0.093 0.000 2.075 404 R HA -0.019 4.321 4.340 -0.000 0.000 0.226 404 R C 2.320 178.532 176.300 -0.147 0.000 1.114 404 R CA 0.752 56.830 56.100 -0.036 0.000 0.972 404 R CB -0.333 29.856 30.300 -0.186 0.000 0.869 404 R HN 0.280 nan 8.270 nan 0.000 0.437 405 Y N -0.780 119.528 120.300 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 0.933 59.010 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 1.044 109.863 108.800 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 0.958 122.080 121.223 -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 -0.094 0.000 0.965 407 L CA -1.220 53.477 54.840 -0.238 0.000 0.833 407 L CB 2.044 43.988 42.059 -0.192 0.000 1.296 407 L HN 0.438 nan 8.230 nan 0.000 0.405 408 Y N 2.065 122.463 120.300 0.164 0.000 2.359 408 Y HA 0.380 4.930 4.550 -0.000 0.000 0.330 408 Y C 0.308 176.306 175.900 0.164 0.000 1.143 408 Y CA -0.568 57.656 58.100 0.206 0.000 1.318 408 Y CB 1.272 39.845 38.460 0.190 0.000 1.234 408 Y HN 0.163 nan 8.280 nan 0.000 0.522 409 V N 3.724 123.805 119.914 0.278 0.000 2.735 409 V HA 0.385 4.505 4.120 -0.000 0.000 0.310 409 V C -0.738 175.422 176.094 0.110 0.000 1.061 409 V CA -1.046 61.358 62.300 0.174 0.000 0.913 409 V CB 2.106 33.988 31.823 0.099 0.000 1.005 409 V HN 0.454 nan 8.190 nan 0.000 0.428 410 V N 2.595 122.552 119.914 0.072 0.000 2.328 410 V HA 0.352 4.472 4.120 -0.000 0.000 0.278 410 V C -0.398 175.726 176.094 0.049 0.000 1.021 410 V CA -0.449 61.853 62.300 0.003 0.000 0.838 410 V CB 1.406 33.157 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 -0.181 176.290 176.300 0.285 0.000 1.150 411 D CA 0.093 54.244 54.000 0.251 0.000 0.870 411 D CB 1.210 42.199 40.800 0.315 0.000 1.153 411 D HN 0.709 nan 8.370 nan 0.000 0.457 412 E N 1.825 122.168 120.200 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 -1.075 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 3.731 126.679 122.820 0.214 0.000 2.445 413 A HA 0.071 4.391 4.320 -0.000 0.000 0.242 413 A C 0.353 178.059 177.584 0.203 0.000 1.075 413 A CA -0.270 51.876 52.037 0.181 0.000 0.777 413 A CB 0.178 19.252 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 0.214 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 0.744 121.427 120.570 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 60.731 61.300 0.153 0.000 1.062 415 I CB 1.874 39.939 38.000 0.108 0.000 1.218 415 I HN 0.209 nan 8.210 nan 0.000 0.442 416 E N 4.215 124.498 120.200 0.137 0.000 2.278 416 E HA 0.399 4.749 4.350 -0.000 0.000 0.272 416 E C -0.448 176.212 176.600 0.099 0.000 0.890 416 E CA -0.443 56.010 56.400 0.088 0.000 0.770 416 E CB 1.872 31.603 29.700 0.052 0.000 1.212 416 E HN 0.649 nan 8.360 nan 0.000 0.415 417 T N 0.628 115.229 114.554 0.078 0.000 3.331 417 T HA 0.147 4.497 4.350 -0.000 0.000 0.282 417 T C 0.962 175.709 174.700 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 57.544 56.048 -0.201 0.000 1.226 418 H CB -0.266 29.340 29.762 -0.260 0.000 1.355 418 H HN 0.579 nan 8.280 nan 0.000 0.485 419 G N 0.246 108.897 108.800 -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 0.622 175.613 174.900 0.151 0.000 1.137 419 G CA -0.018 44.966 45.100 -0.192 0.000 0.787 419 G HN 0.159 nan 8.290 nan 0.000 0.534 420 M N -0.038 119.693 119.600 0.218 0.000 2.113 420 M HA 0.341 4.821 4.480 -0.000 0.000 0.288 420 M C -0.300 176.031 176.300 0.053 0.000 1.225 420 M CA 0.095 55.483 55.300 0.146 0.000 1.148 420 M CB 1.022 33.663 32.600 0.067 0.000 1.388 420 M HN -0.163 nan 8.290 nan 0.000 0.469 421 V N 1.921 121.845 119.914 0.017 0.000 2.624 421 V HA 0.280 4.400 4.120 -0.000 0.000 0.294 421 V C -2.202 173.881 176.094 -0.018 0.000 1.077 421 V CA -1.291 61.006 62.300 -0.005 0.000 0.905 421 V CB 1.977 33.795 31.823 -0.008 0.000 1.025 421 V HN 0.734 nan 8.190 nan 0.000 0.440 422 P HA 0.266 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 -0.523 62.569 63.100 -0.014 0.000 0.795 422 P CB 0.820 32.513 31.700 -0.011 0.000 1.006 423 M N 1.202 120.802 119.600 -0.001 0.000 2.192 423 M HA -0.258 4.222 4.480 -0.000 0.000 0.256 423 M C 1.117 177.424 176.300 0.012 0.000 1.076 423 M CA 2.247 57.553 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 1.153 176.625 175.510 -0.064 0.000 1.124 424 N CA 0.185 53.238 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 0.641 121.093 120.500 -0.080 0.000 2.134 425 R HA -0.087 4.253 4.340 -0.000 0.000 0.248 425 R C 1.583 177.757 176.300 -0.210 0.000 1.143 425 R CA 1.720 57.747 56.100 -0.121 0.000 0.957 425 R CB -0.145 30.084 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 1.391 55.897 54.840 -0.557 0.000 0.761 426 L CB -0.759 40.719 42.059 -0.969 0.000 0.921 426 L HN 0.400 nan 8.230 nan 0.000 0.444 427 T N -3.697 110.708 114.554 -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 1.486 63.427 62.100 -0.266 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 1.406 121.726 120.400 -0.135 0.000 2.358 428 D HA 0.154 4.794 4.640 -0.000 0.000 0.224 428 D C -0.547 175.720 176.300 -0.055 0.000 1.123 428 D CA -0.217 53.725 54.000 -0.097 0.000 0.833 428 D CB -0.061 40.695 40.800 -0.072 0.000 0.946 428 D HN 0.362 nan 8.370 nan 0.000 0.505 429 D N -0.614 119.770 120.400 -0.028 0.000 2.549 429 D HA 0.185 4.825 4.640 -0.000 0.000 0.251 429 D C -1.829 174.537 176.300 0.111 0.000 1.153 429 D CA -2.294 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 -0.206 nan 4.420 nan 0.000 0.218 430 P C 1.165 178.473 177.300 0.013 0.000 1.154 430 P CA 1.262 64.371 63.100 0.016 0.000 0.872 430 P CB 0.316 32.015 31.700 -0.002 0.000 0.790 431 R N -1.823 118.692 120.500 0.025 0.000 2.139 431 R HA -0.157 4.183 4.340 -0.000 0.000 0.243 431 R C 1.917 178.080 176.300 -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 -0.577 120.662 121.300 -0.102 0.000 3.290 432 W HA 0.163 4.823 4.660 -0.000 0.000 0.287 432 W C 1.388 177.843 176.519 -0.107 0.000 1.288 432 W CA -0.544 56.739 57.345 -0.103 0.000 1.725 432 W CB -0.155 29.240 29.460 -0.109 0.000 1.103 432 W HN 0.040 nan 8.180 nan 0.000 0.670 433 L N 2.915 124.182 121.223 0.073 0.000 1.963 433 L HA -0.165 4.175 4.340 -0.000 0.000 0.220 433 L C -0.499 176.343 176.870 -0.046 0.000 1.076 433 L CA 2.471 57.308 54.840 -0.006 0.000 0.772 433 L CB -1.983 40.057 42.059 -0.032 0.000 0.892 433 L HN -0.196 nan 8.230 nan 0.000 0.435 434 P HA -0.241 nan 4.420 nan 0.000 0.217 434 P C 1.605 178.854 177.300 -0.084 0.000 1.158 434 P CA 2.614 65.656 63.100 -0.097 0.000 0.887 434 P CB -0.402 31.233 31.700 -0.109 0.000 0.792 435 A N -0.516 122.267 122.820 -0.061 0.000 1.865 435 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 435 A C 2.341 179.931 177.584 0.010 0.000 1.191 435 A CA 2.569 54.600 52.037 -0.009 0.000 0.623 435 A CB -1.577 17.469 19.000 0.076 0.000 0.826 435 A HN 0.098 nan 8.150 nan 0.000 0.444 436 M N 0.366 119.982 119.600 0.027 0.000 2.108 436 M HA -0.182 4.298 4.480 -0.000 0.000 0.261 436 M C 2.457 178.703 176.300 -0.090 0.000 1.066 436 M CA 1.971 57.260 55.300 -0.017 0.000 1.107 436 M CB -0.800 31.769 32.600 -0.051 0.000 1.356 436 M HN 0.595 nan 8.290 nan 0.000 0.406 437 S N 0.456 116.077 115.700 -0.133 0.000 2.359 437 S HA -0.184 4.286 4.470 -0.000 0.000 0.223 437 S C 1.661 176.105 174.600 -0.260 0.000 1.039 437 S CA 1.398 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 1.275 121.369 120.200 -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 1.019 57.325 56.400 -0.156 0.000 0.804 438 E CB -0.239 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 0.140 120.588 120.500 -0.087 0.000 2.120 439 R HA -0.109 4.231 4.340 -0.000 0.000 0.234 439 R C 2.389 178.648 176.300 -0.068 0.000 1.123 439 R CA 0.995 57.071 56.100 -0.040 0.000 0.975 439 R CB -0.036 30.274 30.300 0.017 0.000 0.866 439 R HN 0.026 nan 8.270 nan 0.000 0.446 440 V N 0.040 119.868 119.914 -0.143 0.000 2.374 440 V HA -0.182 3.938 4.120 -0.000 0.000 0.241 440 V C 2.399 178.342 176.094 -0.253 0.000 1.034 440 V CA 2.034 64.236 62.300 -0.163 0.000 1.037 440 V CB -0.400 31.317 31.823 -0.176 0.000 0.682 440 V HN 0.521 nan 8.190 nan 0.000 0.463 441 T N -0.170 114.111 114.554 -0.455 0.000 2.624 441 T HA -0.333 4.017 4.350 -0.000 0.000 0.268 441 T C 1.945 176.509 174.700 -0.227 0.000 1.041 441 T CA 1.892 63.654 62.100 -0.563 0.000 1.159 441 T CB -0.546 67.870 68.868 -0.755 0.000 0.863 441 T HN 0.387 nan 8.240 nan 0.000 0.434 442 R N 0.589 120.975 120.500 -0.190 0.000 2.091 442 R HA -0.004 4.336 4.340 -0.000 0.000 0.238 442 R C 2.738 178.975 176.300 -0.105 0.000 1.136 442 R CA 1.812 57.837 56.100 -0.125 0.000 0.959 442 R CB -0.579 29.656 30.300 -0.108 0.000 0.856 442 R HN 0.529 nan 8.270 nan 0.000 0.437 443 M N 0.785 120.332 119.600 -0.089 0.000 2.080 443 M HA -0.181 4.299 4.480 -0.000 0.000 0.260 443 M C 1.951 178.196 176.300 -0.092 0.000 1.068 443 M CA 1.750 57.025 55.300 -0.041 0.000 1.109 443 M CB -0.016 32.601 32.600 0.028 0.000 1.342 443 M HN -0.009 nan 8.290 nan 0.000 0.405 444 V N 1.551 121.323 119.914 -0.237 0.000 2.295 444 V HA -0.306 3.814 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 2.307 64.359 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 0.018 119.755 119.800 -0.105 0.000 2.170 445 Q HA -0.249 4.091 4.340 -0.000 0.000 0.203 445 Q C 2.349 178.282 176.000 -0.112 0.000 0.976 445 Q CA 1.632 57.386 55.803 -0.081 0.000 0.858 445 Q CB -0.353 28.365 28.738 -0.033 0.000 0.907 445 Q HN 0.597 nan 8.270 nan 0.000 0.433 446 R N 0.779 121.203 120.500 -0.126 0.000 2.062 446 R HA -0.094 4.246 4.340 -0.000 0.000 0.226 446 R C 0.754 176.976 176.300 -0.130 0.000 1.125 446 R CA 1.430 57.428 56.100 -0.169 0.000 0.966 446 R CB 0.319 30.515 30.300 -0.174 0.000 0.861 446 R HN 0.150 nan 8.270 nan 0.000 0.433 447 D N -0.015 120.371 120.400 -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 0.794 121.410 120.500 0.194 0.000 2.303 448 R HA -0.008 4.332 4.340 -0.000 0.000 0.225 448 R C 0.905 177.201 176.300 -0.007 0.000 1.114 448 R CA 1.065 57.294 56.100 0.214 0.000 1.007 448 R CB -0.413 29.979 30.300 0.153 0.000 0.861 448 R HN -0.036 nan 8.270 nan 0.000 0.471 449 N N 0.212 118.822 118.700 -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 54.616 56.048 -0.173 0.000 1.411 450 H CB 1.632 31.327 29.762 -0.112 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 -0.699 0.000 1.148 451 P CA 1.320 64.072 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 -1.310 114.053 115.700 -0.563 0.000 2.442 452 S HA -0.036 4.434 4.470 -0.000 0.000 0.236 452 S C 1.050 175.613 174.600 -0.061 0.000 1.007 452 S CA 0.307 58.349 58.200 -0.264 0.000 0.965 452 S CB -1.406 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 3.562 123.402 119.914 -0.123 0.000 2.470 453 V HA 0.263 4.383 4.120 -0.000 0.000 0.276 453 V C 1.021 176.972 176.094 -0.239 0.000 1.040 453 V CA -0.075 62.120 62.300 -0.175 0.000 1.008 453 V CB 0.621 32.239 31.823 -0.342 0.000 0.990 453 V HN 0.625 nan 8.190 nan 0.000 0.477 454 I N 2.537 123.008 120.570 -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 38.512 38.000 -0.012 0.000 1.151 454 I HN 0.319 nan 8.210 nan 0.000 0.410 455 I N 0.490 120.905 120.570 -0.259 0.000 2.692 455 I HA 0.336 4.506 4.170 -0.000 0.000 0.293 455 I C -1.598 174.412 176.117 -0.178 0.000 1.200 455 I CA -0.397 60.799 61.300 -0.172 0.000 1.036 455 I CB 2.046 40.042 38.000 -0.007 0.000 1.258 455 I HN 0.038 nan 8.210 nan 0.000 0.421 456 W N 3.860 125.204 121.300 0.074 0.000 2.449 456 W HA 0.616 5.276 4.660 -0.000 0.000 0.331 456 W C 0.441 177.022 176.519 0.102 0.000 1.119 456 W CA -0.629 56.766 57.345 0.083 0.000 1.240 456 W CB 1.654 31.155 29.460 0.069 0.000 1.251 456 W HN 0.364 nan 8.180 nan 0.000 0.576 457 S N 2.795 118.725 115.700 0.383 0.000 2.557 457 S HA 0.398 4.868 4.470 -0.000 0.000 0.291 457 S C -0.091 174.674 174.600 0.276 0.000 1.116 457 S CA -0.756 57.617 58.200 0.288 0.000 0.992 457 S CB 0.789 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 4.187 125.569 121.223 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 0.157 0.000 1.150 458 L CA 0.380 55.314 54.840 0.156 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 0.130 109.084 108.800 0.256 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 -1.484 173.584 174.900 0.280 0.000 1.267 459 G CA -0.549 44.696 45.100 0.242 0.000 1.127 459 G HN 0.233 nan 8.290 nan 0.000 0.498 460 N N 0.330 119.144 118.700 0.189 0.000 2.598 460 N HA 0.451 5.191 4.740 -0.000 0.000 0.263 460 N C -0.461 175.004 175.510 -0.076 0.000 1.254 460 N CA 0.142 53.164 53.050 -0.047 0.000 0.863 460 N CB 1.390 39.571 38.487 -0.509 0.000 1.586 460 N HN 0.952 nan 8.380 nan 0.000 0.491 461 E N 0.274 120.322 120.200 -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 56.866 56.400 -0.377 0.000 0.575 461 E CB -1.445 27.732 29.700 -0.871 0.000 1.037 461 E HN 0.360 nan 8.360 nan 0.000 0.286 462 S N 0.165 115.914 115.700 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 58.182 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 0.434 119.630 119.070 0.209 0.000 2.840 464 H HA 0.577 5.133 4.556 -0.000 0.000 0.340 464 H C 0.115 175.620 175.328 0.295 0.000 1.004 464 H CA 0.060 56.259 56.048 0.252 0.000 1.288 464 H CB 1.021 30.859 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 -0.203 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 -0.345 118.270 118.700 -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 0.395 119.407 119.070 -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 0.517 121.050 120.400 0.222 0.000 2.116 469 D HA -0.192 4.448 4.640 -0.000 0.000 0.193 469 D C 2.314 178.755 176.300 0.235 0.000 0.998 469 D CA 1.344 55.475 54.000 0.220 0.000 0.836 469 D CB -0.564 40.332 40.800 0.161 0.000 0.951 469 D HN 0.445 nan 8.370 nan 0.000 0.449 470 A N 0.801 123.709 122.820 0.147 0.000 1.908 470 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 470 A C 2.465 180.154 177.584 0.175 0.000 1.181 470 A CA 1.041 53.161 52.037 0.137 0.000 0.627 470 A CB -0.773 18.266 19.000 0.065 0.000 0.818 470 A HN 0.215 nan 8.150 nan 0.000 0.445 471 L N -2.168 119.142 121.223 0.145 0.000 2.056 471 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 471 L C 2.600 179.611 176.870 0.234 0.000 1.078 471 L CA 1.743 56.670 54.840 0.144 0.000 0.749 471 L CB -0.810 41.271 42.059 0.037 0.000 0.901 471 L HN 0.611 nan 8.230 nan 0.000 0.433 472 Y N 0.951 121.330 120.300 0.131 0.000 2.081 472 Y HA -0.316 4.234 4.550 -0.000 0.000 0.280 472 Y C 2.919 178.898 175.900 0.131 0.000 1.163 472 Y CA 1.631 59.812 58.100 0.135 0.000 1.135 472 Y CB -0.234 38.306 38.460 0.134 0.000 0.970 472 Y HN -0.055 nan 8.280 nan 0.000 0.498 473 R N 0.009 120.640 120.500 0.218 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 -1.697 28.725 30.300 0.203 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 -0.420 28.988 29.460 -0.087 0.000 1.150 474 W HN 0.023 nan 8.180 nan 0.000 0.496 475 I N 0.610 121.171 120.570 -0.015 0.000 2.142 475 I HA -0.350 3.820 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 1.428 62.550 61.300 -0.297 0.000 1.343 475 I CB -1.015 36.879 38.000 -0.177 0.000 1.046 475 I HN -0.092 nan 8.210 nan 0.000 0.405 476 K N 1.184 121.381 120.400 -0.337 0.000 2.089 476 K HA -0.173 4.147 4.320 -0.000 0.000 0.210 476 K C 2.219 178.668 176.600 -0.252 0.000 1.048 476 K CA 1.889 58.002 56.287 -0.290 0.000 0.926 476 K CB -0.667 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 0.314 115.828 115.700 -0.309 0.000 2.395 477 S HA -0.035 4.435 4.470 -0.000 0.000 0.225 477 S C 2.227 176.595 174.600 -0.386 0.000 1.027 477 S CA 0.810 58.832 58.200 -0.297 0.000 0.965 477 S CB -0.132 62.904 63.200 -0.273 0.000 0.812 477 S HN -0.006 nan 8.310 nan 0.000 0.482 478 V N 1.382 120.926 119.914 -0.616 0.000 2.535 478 V HA 0.061 4.181 4.120 -0.000 0.000 0.246 478 V C 0.385 176.235 176.094 -0.407 0.000 1.045 478 V CA 1.237 63.155 62.300 -0.637 0.000 1.058 478 V CB -0.236 30.890 31.823 -1.162 0.000 0.689 478 V HN 0.392 nan 8.190 nan 0.000 0.461 479 D N -0.715 119.486 120.400 -0.332 0.000 2.358 479 D HA 0.273 4.913 4.640 -0.000 0.000 0.253 479 D C -2.273 174.003 176.300 -0.040 0.000 1.288 479 D CA -1.766 52.156 54.000 -0.130 0.000 0.950 479 D CB 1.979 42.786 40.800 0.012 0.000 1.197 479 D HN 0.078 nan 8.370 nan 0.000 0.550 480 P HA 0.027 nan 4.420 nan 0.000 0.255 480 P C 1.076 178.392 177.300 0.027 0.000 1.248 480 P CA 0.227 63.315 63.100 -0.020 0.000 0.807 480 P CB 0.312 31.991 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 -0.041 58.191 58.200 0.054 0.000 0.934 481 S CB -0.398 62.828 63.200 0.044 0.000 0.771 481 S HN 0.105 nan 8.310 nan 0.000 0.522 482 R N 0.955 121.503 120.500 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 1.063 31.265 30.300 -0.163 0.000 1.197 482 R HN 0.127 nan 8.270 nan 0.000 0.463 483 P HA 0.197 nan 4.420 nan 0.000 0.276 483 P C -0.795 176.607 177.300 0.171 0.000 1.252 483 P CA -0.530 62.634 63.100 0.106 0.000 0.802 483 P CB 0.783 32.530 31.700 0.078 0.000 1.035 484 V N 1.861 121.898 119.914 0.205 0.000 2.540 484 V HA 0.410 4.530 4.120 -0.000 0.000 0.302 484 V C 0.139 176.410 176.094 0.296 0.000 1.035 484 V CA -0.416 62.050 62.300 0.278 0.000 0.873 484 V CB 1.335 33.302 31.823 0.240 0.000 0.992 484 V HN 0.631 nan 8.190 nan 0.000 0.428 485 Q N 3.674 123.630 119.800 0.260 0.000 2.433 485 Q HA 0.822 5.162 4.340 -0.000 0.000 0.279 485 Q C -1.755 174.404 176.000 0.265 0.000 1.105 485 Q CA -0.975 54.953 55.803 0.208 0.000 0.815 485 Q CB 2.978 31.785 28.738 0.115 0.000 1.403 485 Q HN 0.662 nan 8.270 nan 0.000 0.435 486 Y N 0.189 120.507 120.300 0.030 0.000 2.376 486 Y HA 0.155 4.705 4.550 -0.000 0.000 0.321 486 Y C -0.371 175.478 175.900 -0.084 0.000 1.189 486 Y CA -0.644 57.442 58.100 -0.023 0.000 1.069 486 Y CB 2.097 40.539 38.460 -0.031 0.000 1.292 486 Y HN 0.951 nan 8.280 nan 0.000 0.430 487 E N 3.597 123.337 120.200 -0.767 0.000 2.250 487 E HA 0.115 4.465 4.350 -0.000 0.000 0.192 487 E C 0.734 176.874 176.600 -0.766 0.000 0.986 487 E CA 0.768 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 0.062 107.963 108.800 -1.498 0.000 2.464 488 G HA2 0.158 4.118 3.960 -0.000 0.000 0.231 488 G HA3 0.158 4.118 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 1.290 176.175 174.900 -0.026 0.000 1.025 489 G CA 1.000 46.103 45.100 0.006 0.000 0.769 489 G HN 2.638 nan 8.290 nan 0.000 0.507 490 G N -1.715 107.066 108.800 -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 1.089 176.081 174.900 0.152 0.000 1.000 490 G CA 1.329 46.469 45.100 0.066 0.000 0.663 490 G HN 2.340 nan 8.290 nan 0.000 0.493 491 A N -0.154 122.651 122.820 -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 -0.089 0.000 1.128 491 A CA 2.665 54.640 52.037 -0.103 0.000 1.062 491 A CB -1.810 17.099 19.000 -0.151 0.000 1.121 491 A HN 2.111 nan 8.150 nan 0.000 0.895 492 D N -1.099 119.316 120.400 0.025 0.000 2.692 492 D HA 0.301 4.941 4.640 -0.000 0.000 0.290 492 D C 0.433 176.721 176.300 -0.019 0.000 1.455 492 D CA 0.840 54.862 54.000 0.036 0.000 0.796 492 D CB -1.154 39.797 40.800 0.252 0.000 1.131 492 D HN 0.846 nan 8.370 nan 0.000 0.467 493 T N -2.449 112.029 114.554 -0.126 0.000 2.698 493 T HA 0.146 4.496 4.350 -0.000 0.000 0.295 493 T C 1.615 176.184 174.700 -0.219 0.000 1.007 493 T CA 0.581 62.534 62.100 -0.245 0.000 0.980 493 T CB 1.031 69.540 68.868 -0.598 0.000 1.036 493 T HN 0.078 nan 8.240 nan 0.000 0.526 494 T N -2.141 112.272 114.554 -0.236 0.000 3.113 494 T HA 0.127 4.477 4.350 -0.000 0.000 0.263 494 T C 1.648 176.101 174.700 -0.412 0.000 1.143 494 T CA 0.600 62.575 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 0.139 122.749 122.820 -0.349 0.000 2.337 495 A HA 0.464 4.784 4.320 -0.000 0.000 0.227 495 A C 0.980 178.381 177.584 -0.304 0.000 1.259 495 A CA -0.025 51.760 52.037 -0.420 0.000 0.870 495 A CB -0.110 18.900 19.000 0.017 0.000 0.927 495 A HN 0.492 nan 8.150 nan 0.000 0.497 496 T N -1.532 112.884 114.554 -0.231 0.000 2.912 496 T HA 0.386 4.736 4.350 -0.000 0.000 0.299 496 T C -0.560 174.170 174.700 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 0.077 nan 8.240 nan 0.000 0.465 497 D N 2.617 123.124 120.400 0.178 0.000 2.349 497 D HA 0.305 4.945 4.640 -0.000 0.000 0.215 497 D C 0.256 176.592 176.300 0.060 0.000 1.016 497 D CA 0.661 54.750 54.000 0.148 0.000 0.870 497 D CB 0.398 41.311 40.800 0.189 0.000 0.917 497 D HN 0.511 nan 8.370 nan 0.000 0.524 498 I N 0.472 121.058 120.570 0.026 0.000 2.769 498 I HA 0.253 4.423 4.170 -0.000 0.000 0.298 498 I C -0.428 175.631 176.117 -0.097 0.000 1.128 498 I CA -0.955 60.326 61.300 -0.032 0.000 1.031 498 I CB 2.997 40.985 38.000 -0.020 0.000 1.235 498 I HN -0.347 nan 8.210 nan 0.000 0.423 499 I N 4.903 125.371 120.570 -0.171 0.000 2.363 499 I HA 0.124 4.294 4.170 -0.000 0.000 0.292 499 I C -0.057 175.868 176.117 -0.320 0.000 1.075 499 I CA -0.165 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 0.598 nan 8.210 nan 0.000 0.502 500 C N 5.418 124.549 119.300 -0.281 0.000 3.273 500 C HA 0.503 4.963 4.460 -0.000 0.000 0.227 500 C C -2.190 172.666 174.990 -0.222 0.000 1.409 500 C CA -2.267 56.627 59.018 -0.208 0.000 1.516 500 C CB -0.888 26.785 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 -0.513 176.720 177.300 -0.112 0.000 1.266 501 P CA -0.029 62.959 63.100 -0.186 0.000 0.793 501 P CB 0.692 32.280 31.700 -0.186 0.000 1.074 502 M N -0.892 118.671 119.600 -0.062 0.000 2.204 502 M HA 0.482 4.962 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 54.546 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 -0.323 120.126 120.300 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 58.664 58.100 0.249 0.000 2.045 503 Y CB -2.166 36.411 38.460 0.195 0.000 1.599 503 Y HN 1.006 nan 8.280 nan 0.000 0.655 504 A N 1.093 124.120 122.820 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 0.411 19.637 19.000 0.376 0.000 1.019 504 A HN 0.409 nan 8.150 nan 0.000 0.490 505 R N 1.131 121.760 120.500 0.216 0.000 2.543 505 R HA 0.359 4.699 4.340 -0.000 0.000 0.268 505 R C 1.097 177.364 176.300 -0.054 0.000 1.067 505 R CA -0.685 55.477 56.100 0.102 0.000 1.142 505 R CB 0.763 31.100 30.300 0.062 0.000 1.110 505 R HN 0.481 nan 8.270 nan 0.000 0.549 506 V N 0.673 120.409 119.914 -0.298 0.000 2.270 506 V HA -0.212 3.908 4.120 -0.000 0.000 0.245 506 V C 0.869 176.846 176.094 -0.195 0.000 1.043 506 V CA 1.899 63.973 62.300 -0.377 0.000 1.014 506 V CB -0.227 31.264 31.823 -0.553 0.000 0.645 506 V HN 0.768 nan 8.190 nan 0.000 0.447 507 D N -1.422 118.897 120.400 -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 0.947 41.706 40.800 -0.068 0.000 1.019 507 D HN 0.553 nan 8.370 nan 0.000 0.507 508 E N 1.604 121.793 120.200 -0.019 0.000 2.179 508 E HA 0.197 4.547 4.350 -0.000 0.000 0.275 508 E C -1.036 175.568 176.600 0.007 0.000 0.945 508 E CA -0.621 55.776 56.400 -0.005 0.000 0.792 508 E CB 1.462 31.158 29.700 -0.006 0.000 1.125 508 E HN -0.278 nan 8.360 nan 0.000 0.397 509 D N 3.237 123.638 120.400 0.002 0.000 2.225 509 D HA 0.183 4.823 4.640 -0.000 0.000 0.249 509 D C -0.753 175.449 176.300 -0.164 0.000 1.052 509 D CA -0.026 53.966 54.000 -0.012 0.000 0.909 509 D CB 1.410 42.263 40.800 0.087 0.000 1.186 509 D HN 0.382 nan 8.370 nan 0.000 0.431 510 Q N 1.556 121.148 119.800 -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 -0.688 0.000 0.707 510 Q CB 2.454 30.805 28.738 -0.645 0.000 1.247 510 Q HN 0.119 nan 8.270 nan 0.000 0.491 511 P HA 0.067 nan 4.420 nan 0.000 0.220 511 P C -0.852 176.092 177.300 -0.592 0.000 1.806 511 P CA -0.135 62.539 63.100 -0.709 0.000 0.976 511 P CB -0.530 30.956 31.700 -0.357 0.000 1.952 512 F N 2.440 122.237 119.950 -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 -2.628 55.269 58.000 -0.171 0.000 1.268 512 F CB -0.451 38.464 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 64.086 63.100 0.026 0.000 0.768 513 P CB 1.012 32.729 31.700 0.028 0.000 0.838 514 A N 2.843 125.663 122.820 0.000 0.000 2.617 514 A HA -0.258 4.062 4.320 -0.000 0.000 0.236 514 A C 0.714 178.293 177.584 -0.009 0.000 0.514 514 A CA 2.174 54.213 52.037 0.003 0.000 1.126 514 A CB -2.677 16.329 19.000 0.010 0.000 1.393 514 A HN 0.751 nan 8.150 nan 0.000 0.693 515 V N -3.556 116.355 119.914 -0.004 0.000 2.546 515 V HA 0.575 4.695 4.120 -0.000 0.000 0.260 515 V C -2.665 173.432 176.094 0.004 0.000 0.933 515 V CA -1.251 61.043 62.300 -0.011 0.000 0.994 515 V CB 0.897 32.723 31.823 0.005 0.000 1.160 515 V HN 0.440 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 1.237 516 P CA 0.051 62.796 63.100 -0.592 0.000 0.793 516 P CB 0.966 31.918 31.700 -1.248 0.000 0.977 517 K N 2.127 122.143 120.400 -0.640 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 0.634 33.223 32.500 0.147 0.000 1.183 517 K HN 0.476 nan 8.250 nan 0.000 0.445 518 W N 1.560 122.586 121.300 -0.457 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 -0.653 56.514 57.345 -0.297 0.000 1.259 518 W CB 0.516 29.641 29.460 -0.557 0.000 1.133 518 W HN 0.441 nan 8.180 nan 0.000 0.592 519 S N 3.200 119.063 115.700 0.273 0.000 2.558 519 S HA -0.067 4.403 4.470 -0.000 0.000 0.288 519 S C 1.133 175.877 174.600 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 63.491 63.200 0.054 0.000 0.853 519 S HN 0.549 nan 8.310 nan 0.000 0.505 520 I N 1.429 122.098 120.570 0.165 0.000 2.361 520 I HA -0.176 3.994 4.170 -0.000 0.000 0.251 520 I C 1.868 178.006 176.117 0.036 0.000 1.133 520 I CA 1.229 62.626 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 0.654 nan 8.210 nan 0.000 0.424 521 K N 1.943 122.273 120.400 -0.118 0.000 2.148 521 K HA -0.160 4.160 4.320 -0.000 0.000 0.204 521 K C 2.154 178.738 176.600 -0.027 0.000 1.050 521 K CA 1.537 57.686 56.287 -0.231 0.000 0.942 521 K CB -0.284 31.984 32.500 -0.386 0.000 0.724 521 K HN 0.437 nan 8.250 nan 0.000 0.446 522 K N 0.678 121.088 120.400 0.015 0.000 2.062 522 K HA -0.144 4.176 4.320 -0.000 0.000 0.205 522 K C 1.931 178.539 176.600 0.013 0.000 1.051 522 K CA 0.643 56.919 56.287 -0.018 0.000 0.941 522 K CB -0.091 32.364 32.500 -0.077 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 1.559 178.042 176.519 -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 28.877 29.460 0.129 0.000 1.145 523 W HN 0.137 nan 8.180 nan 0.000 0.509 524 L N 0.793 122.162 121.223 0.245 0.000 2.081 524 L HA -0.274 4.066 4.340 -0.000 0.000 0.212 524 L C 2.541 179.466 176.870 0.093 0.000 1.080 524 L CA 2.090 57.009 54.840 0.131 0.000 0.754 524 L CB -1.014 41.103 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 0.746 175.321 174.600 -0.041 0.000 0.966 525 S CA -0.461 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 2.192 123.379 121.223 -0.060 0.000 2.506 526 L HA 0.242 4.582 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 -1.717 53.050 54.840 -0.122 0.000 0.850 526 L CB -0.439 41.513 42.059 -0.178 0.000 1.110 526 L HN 0.045 nan 8.230 nan 0.000 0.496 527 P HA 0.001 nan 4.420 nan 0.000 0.260 527 P C 0.835 178.126 177.300 -0.015 0.000 1.185 527 P CA 0.991 64.067 63.100 -0.040 0.000 0.763 527 P CB 0.695 32.366 31.700 -0.048 0.000 0.776 528 G N 2.042 110.840 108.800 -0.003 0.000 2.253 528 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.251 528 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.251 528 G C 0.314 175.227 174.900 0.023 0.000 0.998 528 G CA 0.136 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 1.209 121.428 120.200 0.032 0.000 2.392 529 E HA 0.544 4.894 4.350 -0.000 0.000 0.264 529 E C 1.406 178.028 176.600 0.037 0.000 1.024 529 E CA 0.993 57.425 56.400 0.053 0.000 0.903 529 E CB 0.783 30.543 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 0.302 4.652 4.350 -0.000 0.000 0.283 530 T C 0.579 175.285 174.700 0.011 0.000 0.906 530 T CA -0.454 61.658 62.100 0.020 0.000 0.882 530 T CB 0.042 68.921 68.868 0.019 0.000 1.208 530 T HN 0.276 nan 8.240 nan 0.000 0.561 531 R N 2.165 122.668 120.500 0.004 0.000 2.707 531 R HA 0.467 4.807 4.340 -0.000 0.000 0.270 531 R C -2.563 173.716 176.300 -0.036 0.000 1.083 531 R CA -1.574 54.518 56.100 -0.014 0.000 1.182 531 R CB 0.040 30.326 30.300 -0.025 0.000 1.084 531 R HN 0.244 nan 8.270 nan 0.000 0.528 532 P HA 0.132 nan 4.420 nan 0.000 0.279 532 P C -1.340 175.890 177.300 -0.116 0.000 1.252 532 P CA -0.411 62.647 63.100 -0.071 0.000 0.811 532 P CB 0.653 32.312 31.700 -0.068 0.000 1.035 533 L N 1.935 123.071 121.223 -0.146 0.000 2.356 533 L HA 0.656 4.996 4.340 -0.000 0.000 0.277 533 L C -1.378 175.354 176.870 -0.230 0.000 0.996 533 L CA -0.293 54.423 54.840 -0.206 0.000 0.822 533 L CB 0.853 42.753 42.059 -0.265 0.000 1.256 533 L HN 0.221 nan 8.230 nan 0.000 0.413 534 I N 5.460 125.896 120.570 -0.223 0.000 2.512 534 I HA 0.310 4.480 4.170 -0.000 0.000 0.287 534 I C -0.968 175.049 176.117 -0.166 0.000 1.069 534 I CA -0.638 60.520 61.300 -0.236 0.000 1.056 534 I CB 2.069 39.981 38.000 -0.146 0.000 1.229 534 I HN 0.546 nan 8.210 nan 0.000 0.429 535 L N 5.476 126.570 121.223 -0.214 0.000 2.360 535 L HA 0.121 4.461 4.340 -0.000 0.000 0.276 535 L C 1.422 178.355 176.870 0.105 0.000 1.121 535 L CA -0.261 54.515 54.840 -0.106 0.000 0.845 535 L CB 0.859 42.821 42.059 -0.161 0.000 1.143 535 L HN 0.868 nan 8.230 nan 0.000 0.452 536 C N 0.342 119.689 119.300 0.079 0.000 2.446 536 C HA 0.114 4.574 4.460 -0.000 0.000 0.279 536 C C 0.619 175.742 174.990 0.221 0.000 1.366 536 C CA -0.093 59.019 59.018 0.157 0.000 1.763 536 C CB -0.956 26.787 27.740 0.005 0.000 1.929 536 C HN 0.822 nan 8.230 nan 0.000 0.509 537 E N -0.782 119.471 120.200 0.089 0.000 2.321 537 E HA 0.599 4.949 4.350 -0.000 0.000 0.281 537 E C -1.379 175.141 176.600 -0.134 0.000 0.910 537 E CA -0.358 56.073 56.400 0.052 0.000 0.770 537 E CB 1.919 31.474 29.700 -0.241 0.000 1.225 537 E HN 0.689 nan 8.360 nan 0.000 0.417 538 Y N -0.822 119.443 120.300 -0.058 0.000 2.677 538 Y HA 0.607 5.157 4.550 -0.000 0.000 0.334 538 Y C -0.806 175.261 175.900 0.279 0.000 1.196 538 Y CA -0.755 57.345 58.100 0.001 0.000 1.059 538 Y CB 0.992 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 2.146 125.033 122.820 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 0.218 0.000 1.437 539 A CA 1.002 53.081 52.037 0.071 0.000 0.734 539 A CB -2.530 16.344 19.000 -0.209 0.000 1.145 539 A HN 1.136 nan 8.150 nan 0.000 0.374 540 H N 0.585 119.827 119.070 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 0.810 57.043 56.048 0.308 0.000 1.416 540 H CB 0.335 30.174 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 0.965 178.398 177.584 -0.252 0.000 1.391 541 A CA -0.345 51.577 52.037 -0.192 0.000 1.066 541 A CB -0.573 18.301 19.000 -0.211 0.000 0.972 541 A HN 0.794 nan 8.150 nan 0.000 0.560 542 M N 1.527 120.954 119.600 -0.289 0.000 2.341 542 M HA 0.403 4.883 4.480 -0.000 0.000 0.336 542 M C 1.045 177.181 176.300 -0.273 0.000 1.489 542 M CA 1.269 56.409 55.300 -0.267 0.000 1.278 542 M CB -0.526 31.954 32.600 -0.201 0.000 1.657 542 M HN 0.803 nan 8.290 nan 0.000 0.455 543 G N 4.306 112.934 108.800 -0.288 0.000 2.527 543 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.268 543 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.268 543 G C -0.149 174.282 174.900 -0.782 0.000 1.175 543 G CA 0.020 44.791 45.100 -0.548 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 0.030 175.286 175.510 -0.424 0.000 1.182 544 N CA 1.122 53.708 53.050 -0.773 0.000 1.019 544 N CB 0.276 38.333 38.487 -0.717 0.000 1.380 544 N HN 0.741 nan 8.380 nan 0.000 0.505 545 S N 1.588 117.119 115.700 -0.281 0.000 2.998 545 S HA 0.619 5.089 4.470 -0.000 0.000 0.323 545 S C -0.016 174.506 174.600 -0.129 0.000 1.141 545 S CA -0.383 57.705 58.200 -0.186 0.000 0.873 545 S CB 0.288 63.399 63.200 -0.147 0.000 1.315 545 S HN 0.352 nan 8.310 nan 0.000 0.637 546 L N 0.102 121.278 121.223 -0.078 0.000 4.793 546 L HA -0.059 4.281 4.340 -0.000 0.000 0.404 546 L C 0.488 177.380 176.870 0.037 0.000 1.022 546 L CA 0.956 55.767 54.840 -0.049 0.000 1.242 546 L CB -1.807 40.142 42.059 -0.183 0.000 2.049 546 L HN 0.709 nan 8.230 nan 0.000 0.637 547 G N -0.878 107.920 108.800 -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 0.218 45.302 45.100 -0.027 0.000 0.887 547 G HN 1.393 nan 8.290 nan 0.000 0.524 548 G N 1.811 110.666 108.800 0.092 0.000 2.213 548 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.236 548 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.236 548 G C 1.131 176.247 174.900 0.359 0.000 0.991 548 G CA 0.750 45.967 45.100 0.193 0.000 0.629 548 G HN 0.789 nan 8.290 nan 0.000 0.517 549 F N 2.197 122.283 119.950 0.227 0.000 2.085 549 F HA -0.038 4.489 4.527 -0.000 0.000 0.299 549 F C 2.778 178.808 175.800 0.383 0.000 1.096 549 F CA 2.952 61.151 58.000 0.332 0.000 1.227 549 F CB -0.585 38.535 39.000 0.200 0.000 0.983 549 F HN 0.420 nan 8.300 nan 0.000 0.482 550 A N -0.437 122.550 122.820 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 53.873 52.037 0.143 0.000 0.636 550 A CB -0.751 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 2.048 58.262 56.287 -0.122 0.000 0.926 551 K CB -0.347 32.073 32.500 -0.133 0.000 0.713 551 K HN 0.671 nan 8.250 nan 0.000 0.444 552 Y N -0.957 119.073 120.300 -0.451 0.000 2.163 552 Y HA -0.240 4.310 4.550 -0.000 0.000 0.288 552 Y C 2.131 177.081 175.900 -1.583 0.000 1.136 552 Y CA 1.347 58.822 58.100 -1.041 0.000 1.147 552 Y CB -0.424 37.393 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 -0.232 4.428 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 1.935 58.974 57.345 -0.510 0.000 1.236 553 W CB -0.558 28.681 29.460 -0.367 0.000 1.130 553 W HN 0.167 nan 8.180 nan 0.000 0.541 554 Q N 0.484 120.184 119.800 -0.167 0.000 2.123 554 Q HA -0.138 4.202 4.340 -0.000 0.000 0.199 554 Q C 2.176 178.109 176.000 -0.112 0.000 0.966 554 Q CA 1.815 57.567 55.803 -0.085 0.000 0.845 554 Q CB -0.486 28.228 28.738 -0.039 0.000 0.907 554 Q HN 0.214 nan 8.270 nan 0.000 0.439 555 A N 0.753 123.412 122.820 -0.269 0.000 1.902 555 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 555 A C 1.935 179.488 177.584 -0.053 0.000 1.181 555 A CA 1.164 53.083 52.037 -0.195 0.000 0.623 555 A CB -1.112 17.646 19.000 -0.403 0.000 0.818 555 A HN 0.517 nan 8.150 nan 0.000 0.443 556 F N -0.290 119.494 119.950 -0.276 0.000 2.091 556 F HA -0.253 4.274 4.527 -0.000 0.000 0.299 556 F C 2.755 178.464 175.800 -0.151 0.000 1.103 556 F CA 1.294 59.101 58.000 -0.322 0.000 1.228 556 F CB -0.228 38.382 39.000 -0.651 0.000 0.984 556 F HN 0.151 nan 8.300 nan 0.000 0.477 557 R N 0.081 120.648 120.500 0.113 0.000 2.148 557 R HA -0.186 4.154 4.340 -0.000 0.000 0.227 557 R C 2.041 178.383 176.300 0.070 0.000 1.103 557 R CA 1.286 57.434 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 -0.609 175.440 176.000 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 0.498 120.781 120.300 -0.028 0.000 2.345 559 Y HA 0.314 4.864 4.550 -0.000 0.000 0.331 559 Y C -1.791 174.084 175.900 -0.041 0.000 0.959 559 Y CA -2.908 55.174 58.100 -0.030 0.000 1.204 559 Y CB 1.550 39.995 38.460 -0.025 0.000 1.135 559 Y HN 0.069 nan 8.280 nan 0.000 0.477 560 P HA -0.246 nan 4.420 nan 0.000 0.217 560 P C 1.151 178.454 177.300 0.006 0.000 1.158 560 P CA 1.856 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 -1.114 119.407 120.500 0.035 0.000 2.323 561 R HA 0.094 4.434 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 -0.482 29.827 30.300 0.015 0.000 0.926 561 R HN 0.288 nan 8.270 nan 0.000 0.476 562 L N 1.949 123.164 121.223 -0.013 0.000 2.282 562 L HA 0.154 4.494 4.340 -0.000 0.000 0.287 562 L C 0.672 177.397 176.870 -0.240 0.000 1.075 562 L CA 0.029 54.811 54.840 -0.098 0.000 0.839 562 L CB 1.269 43.337 42.059 0.014 0.000 1.219 562 L HN 0.001 nan 8.230 nan 0.000 0.434 563 Q N 2.902 122.498 119.800 -0.339 0.000 2.212 563 Q HA 0.341 4.681 4.340 -0.000 0.000 0.213 563 Q C 0.847 176.446 176.000 -0.668 0.000 0.874 563 Q CA 0.099 55.660 55.803 -0.404 0.000 0.965 563 Q CB 0.905 29.494 28.738 -0.249 0.000 1.074 563 Q HN 0.939 nan 8.270 nan 0.000 0.473 564 G N -0.327 107.715 108.800 -1.264 0.000 2.378 564 G HA2 0.154 4.114 3.960 -0.000 0.000 0.198 564 G HA3 0.154 4.114 3.960 -0.000 0.000 0.198 564 G C -0.365 173.777 174.900 -1.264 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 -0.840 0.000 2.349 565 G HA2 0.654 4.614 3.960 -0.000 0.000 0.294 565 G HA3 0.654 4.614 3.960 -0.000 0.000 0.294 565 G C -1.853 172.939 174.900 -0.181 0.000 1.380 565 G CA -0.308 44.500 45.100 -0.487 0.000 0.811 565 G HN 1.151 nan 8.290 nan 0.000 0.519 566 F N 0.494 120.680 119.950 0.392 0.000 2.449 566 F HA 0.551 5.078 4.527 -0.000 0.000 0.342 566 F C 0.716 176.824 175.800 0.513 0.000 1.127 566 F CA -0.802 57.462 58.000 0.441 0.000 0.975 566 F CB 2.156 41.315 39.000 0.264 0.000 1.146 566 F HN 0.266 nan 8.300 nan 0.000 0.444 567 V N 2.882 123.112 119.914 0.525 0.000 2.963 567 V HA -0.062 4.058 4.120 -0.000 0.000 0.306 567 V C -0.370 175.890 176.094 0.278 0.000 1.077 567 V CA -0.443 61.965 62.300 0.180 0.000 1.124 567 V CB 1.013 32.923 31.823 0.145 0.000 0.987 567 V HN 0.786 nan 8.190 nan 0.000 0.487 568 W N 5.999 127.366 121.300 0.111 0.000 2.336 568 W HA 0.470 5.130 4.660 -0.000 0.000 0.315 568 W C -1.053 175.491 176.519 0.042 0.000 1.016 568 W CA -0.656 56.795 57.345 0.176 0.000 1.318 568 W CB 1.420 31.128 29.460 0.413 0.000 1.247 568 W HN 0.924 nan 8.180 nan 0.000 0.414 569 D N 2.603 122.648 120.400 -0.592 0.000 2.812 569 D HA 0.113 4.753 4.640 -0.000 0.000 0.318 569 D C 0.781 176.864 176.300 -0.362 0.000 1.234 569 D CA -0.551 53.007 54.000 -0.735 0.000 0.989 569 D CB 0.238 40.051 40.800 -1.646 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 -0.069 176.224 176.519 -0.378 0.000 1.209 570 W CA 1.483 58.582 57.345 -0.409 0.000 1.275 570 W CB 0.115 29.368 29.460 -0.345 0.000 1.175 570 W HN 0.203 nan 8.180 nan 0.000 0.461 571 V N 0.914 120.624 119.914 -0.338 0.000 2.919 571 V HA 0.297 4.417 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 -1.107 60.932 62.300 -0.436 0.000 0.977 571 V CB 1.349 33.050 31.823 -0.203 0.000 1.039 571 V HN -0.084 nan 8.190 nan 0.000 0.441 572 D N 1.578 121.806 120.400 -0.286 0.000 2.382 572 D HA 0.171 4.811 4.640 -0.000 0.000 0.245 572 D C -0.024 176.130 176.300 -0.244 0.000 1.120 572 D CA 0.203 54.082 54.000 -0.202 0.000 0.890 572 D CB 1.349 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 0.995 120.584 119.800 -0.351 0.000 3.207 573 Q HA 0.154 4.494 4.340 -0.000 0.000 0.335 573 Q C -0.349 175.602 176.000 -0.083 0.000 1.374 573 Q CA -0.343 55.043 55.803 -0.696 0.000 1.023 573 Q CB 0.246 28.650 28.738 -0.557 0.000 1.576 573 Q HN 0.355 nan 8.270 nan 0.000 0.515 574 S N 0.024 115.804 115.700 0.133 0.000 2.549 574 S HA 0.698 5.168 4.470 -0.000 0.000 0.297 574 S C -0.282 174.493 174.600 0.293 0.000 1.115 574 S CA -0.814 57.569 58.200 0.305 0.000 1.059 574 S CB 1.561 64.906 63.200 0.243 0.000 1.046 574 S HN 0.318 nan 8.310 nan 0.000 0.506 575 L N 1.773 123.088 121.223 0.152 0.000 2.322 575 L HA 0.612 4.952 4.340 -0.000 0.000 0.269 575 L C -0.431 176.338 176.870 -0.170 0.000 1.012 575 L CA -1.136 53.663 54.840 -0.067 0.000 0.815 575 L CB 1.429 43.332 42.059 -0.260 0.000 1.295 575 L HN 0.630 nan 8.230 nan 0.000 0.438 576 I N 1.339 121.750 120.570 -0.264 0.000 2.440 576 I HA 0.297 4.467 4.170 -0.000 0.000 0.294 576 I C -0.015 175.709 176.117 -0.655 0.000 0.995 576 I CA 0.008 61.022 61.300 -0.477 0.000 1.306 576 I CB 1.077 38.820 38.000 -0.428 0.000 1.407 576 I HN 0.511 nan 8.210 nan 0.000 0.501 577 K N 4.234 123.940 120.400 -1.156 0.000 2.466 577 K HA 0.584 4.904 4.320 -0.000 0.000 0.260 577 K C -1.781 174.078 176.600 -1.235 0.000 1.011 577 K CA -0.874 54.710 56.287 -1.171 0.000 0.871 577 K CB 2.338 33.884 32.500 -1.590 0.000 1.404 577 K HN 0.257 nan 8.250 nan 0.000 0.450 578 Y N 0.473 120.621 120.300 -0.253 0.000 2.499 578 Y HA 0.180 4.730 4.550 -0.000 0.000 0.347 578 Y C -0.077 176.006 175.900 0.304 0.000 0.987 578 Y CA -1.090 57.046 58.100 0.059 0.000 1.044 578 Y CB 1.375 39.845 38.460 0.015 0.000 1.245 578 Y HN 0.647 nan 8.280 nan 0.000 0.461 579 D N 0.108 120.802 120.400 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 53.610 54.000 0.298 0.000 0.993 579 D CB 0.691 41.594 40.800 0.171 0.000 1.118 579 D HN 0.629 nan 8.370 nan 0.000 0.502 580 E N 0.872 121.142 120.200 0.117 0.000 2.219 580 E HA -0.265 4.085 4.350 -0.000 0.000 0.198 580 E C 0.215 176.852 176.600 0.063 0.000 0.998 580 E CA 1.091 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 53.926 53.050 0.066 0.000 0.838 581 N CB 0.252 38.773 38.487 0.056 0.000 1.011 581 N HN 0.411 nan 8.380 nan 0.000 0.463 582 G N 0.680 109.550 108.800 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 -0.438 174.641 174.900 0.299 0.000 1.036 582 G CA -0.264 44.910 45.100 0.124 0.000 0.824 582 G HN 0.305 nan 8.290 nan 0.000 0.504 583 N N 1.114 120.012 118.700 0.331 0.000 2.438 583 N HA 0.499 5.239 4.740 -0.000 0.000 0.282 583 N C -2.470 173.234 175.510 0.325 0.000 1.037 583 N CA -1.489 51.746 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 -0.585 176.640 177.300 -0.125 0.000 1.253 584 P CA -0.366 62.474 63.100 -0.432 0.000 0.800 584 P CB 0.675 32.162 31.700 -0.355 0.000 0.961 585 W N -0.209 120.832 121.300 -0.432 0.000 3.296 585 W HA 0.372 5.032 4.660 -0.000 0.000 0.314 585 W C -1.475 174.847 176.519 -0.328 0.000 1.238 585 W CA -0.996 56.122 57.345 -0.379 0.000 1.193 585 W CB 0.196 29.292 29.460 -0.608 0.000 1.383 585 W HN 0.140 nan 8.180 nan 0.000 0.545 586 S N 1.932 117.634 115.700 0.002 0.000 2.488 586 S HA 0.539 5.009 4.470 -0.000 0.000 0.278 586 S C 0.263 174.966 174.600 0.172 0.000 1.259 586 S CA -0.161 58.051 58.200 0.021 0.000 1.061 586 S CB 0.893 64.168 63.200 0.125 0.000 0.910 586 S HN 0.655 nan 8.310 nan 0.000 0.491 587 A N 2.815 125.616 122.820 -0.033 0.000 2.311 587 A HA 0.898 5.218 4.320 -0.000 0.000 0.334 587 A C -0.622 177.220 177.584 0.431 0.000 1.139 587 A CA -0.789 51.297 52.037 0.083 0.000 0.830 587 A CB 0.717 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 -1.106 119.521 120.300 0.545 0.000 2.974 588 Y HA 0.749 5.299 4.550 -0.000 0.000 0.310 588 Y C 0.592 176.833 175.900 0.568 0.000 1.526 588 Y CA -1.325 57.078 58.100 0.505 0.000 1.087 588 Y CB -0.035 38.542 38.460 0.194 0.000 1.404 588 Y HN 1.000 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 0.574 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 2.307 111.401 108.800 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 0.916 176.033 174.900 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 -0.324 120.328 120.400 0.420 0.000 2.378 591 D HA 0.110 4.750 4.640 -0.000 0.000 0.222 591 D C 1.263 177.459 176.300 -0.174 0.000 0.980 591 D CA 0.625 54.713 54.000 0.148 0.000 0.907 591 D CB -0.207 40.640 40.800 0.078 0.000 0.899 591 D HN 0.479 nan 8.370 nan 0.000 0.527 592 F N -1.041 119.031 119.950 0.203 0.000 2.735 592 F HA 0.332 4.859 4.527 -0.000 0.000 0.304 592 F C 1.745 177.635 175.800 0.150 0.000 1.119 592 F CA -0.358 57.726 58.000 0.141 0.000 1.280 592 F CB 0.515 39.591 39.000 0.126 0.000 0.994 592 F HN -0.078 nan 8.300 nan 0.000 0.520 593 G N 0.601 109.564 108.800 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 0.323 45.550 45.100 0.212 0.000 0.663 593 G HN 0.461 nan 8.290 nan 0.000 0.533 594 D N 0.530 121.129 120.400 0.332 0.000 2.450 594 D HA 0.403 5.043 4.640 -0.000 0.000 0.247 594 D C -0.015 176.418 176.300 0.221 0.000 1.162 594 D CA 0.656 54.838 54.000 0.304 0.000 0.879 594 D CB 1.130 42.172 40.800 0.403 0.000 1.163 594 D HN 0.072 nan 8.370 nan 0.000 0.472 595 T N 2.387 117.040 114.554 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 -0.944 61.220 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 -1.099 176.191 177.300 -0.017 0.000 1.276 596 P CA -0.666 62.436 63.100 0.002 0.000 0.801 596 P CB 0.751 32.424 31.700 -0.043 0.000 1.127 597 N N -1.284 117.407 118.700 -0.016 0.000 2.732 597 N HA 0.161 4.901 4.740 -0.000 0.000 0.259 597 N C -1.272 174.202 175.510 -0.060 0.000 1.402 597 N CA -0.546 52.479 53.050 -0.041 0.000 0.829 597 N CB 1.320 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 0.213 120.555 120.400 -0.098 0.000 2.772 598 D HA 0.148 4.788 4.640 -0.000 0.000 0.272 598 D C 0.595 177.125 176.300 0.383 0.000 1.314 598 D CA -0.218 53.800 54.000 0.030 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 0.295 120.997 120.500 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 -0.006 0.000 0.241 599 R CA 1.456 57.727 56.100 0.285 0.000 1.724 599 R CB -1.358 29.018 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 0.104 4.444 4.340 -0.000 0.000 0.210 600 Q C 1.809 177.525 176.000 -0.474 0.000 0.972 600 Q CA 1.529 56.859 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 0.678 120.525 119.950 -0.172 0.000 2.271 601 F HA -0.251 4.276 4.527 -0.000 0.000 0.302 601 F C 1.874 177.622 175.800 -0.086 0.000 1.063 601 F CA 1.040 59.028 58.000 -0.020 0.000 1.362 601 F CB -0.439 38.613 39.000 0.087 0.000 1.060 601 F HN 0.325 nan 8.300 nan 0.000 0.521 602 C N -1.377 117.668 119.300 -0.423 0.000 2.539 602 C HA 0.181 4.641 4.460 -0.000 0.000 0.271 602 C C 1.002 175.795 174.990 -0.327 0.000 1.412 602 C CA -0.485 58.135 59.018 -0.663 0.000 1.729 602 C CB -1.893 24.945 27.740 -1.502 0.000 1.739 602 C HN 0.204 nan 8.230 nan 0.000 0.570 603 M N 3.157 122.604 119.600 -0.255 0.000 2.060 603 M HA 0.321 4.801 4.480 -0.000 0.000 0.342 603 M C -0.433 175.752 176.300 -0.191 0.000 1.031 603 M CA 0.232 55.414 55.300 -0.197 0.000 0.981 603 M CB 0.393 32.900 32.600 -0.155 0.000 1.376 603 M HN 0.274 nan 8.290 nan 0.000 0.397 604 N N 1.556 120.141 118.700 -0.191 0.000 2.307 604 N HA 0.168 4.908 4.740 -0.000 0.000 0.248 604 N C 0.177 175.482 175.510 -0.341 0.000 1.322 604 N CA -0.127 52.771 53.050 -0.252 0.000 0.861 604 N CB 1.298 39.692 38.487 -0.155 0.000 1.303 604 N HN 0.669 nan 8.380 nan 0.000 0.498 605 G N 0.035 108.596 108.800 -0.399 0.000 2.528 605 G HA2 0.471 4.431 3.960 -0.000 0.000 0.289 605 G HA3 0.471 4.431 3.960 -0.000 0.000 0.289 605 G C 0.880 175.315 174.900 -0.774 0.000 1.192 605 G CA -0.505 44.260 45.100 -0.558 0.000 0.921 605 G HN 0.102 nan 8.290 nan 0.000 0.512 606 L N -0.414 120.350 121.223 -0.765 0.000 2.446 606 L HA 0.165 4.505 4.340 -0.000 0.000 0.219 606 L C 0.691 176.918 176.870 -1.071 0.000 1.116 606 L CA 0.238 54.629 54.840 -0.749 0.000 0.844 606 L CB -0.144 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 -5.230 113.947 119.914 -1.229 0.000 3.040 607 V HA 0.471 4.591 4.120 -0.000 0.000 0.312 607 V C -0.428 175.194 176.094 -0.785 0.000 1.115 607 V CA -1.241 60.471 62.300 -0.980 0.000 0.998 607 V CB 1.709 33.012 31.823 -0.868 0.000 1.042 607 V HN -0.136 nan 8.190 nan 0.000 0.433 608 F N 1.251 121.062 119.950 -0.231 0.000 2.444 608 F HA 0.558 5.085 4.527 -0.000 0.000 0.331 608 F C 1.941 177.651 175.800 -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 1.214 124.113 122.820 0.132 0.000 1.997 609 A HA -0.294 4.026 4.320 -0.000 0.000 0.221 609 A C 1.611 179.158 177.584 -0.062 0.000 1.172 609 A CA 2.182 54.232 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 -2.895 117.490 120.400 -0.026 0.000 2.378 610 D HA 0.118 4.758 4.640 -0.000 0.000 0.227 610 D C 0.635 176.913 176.300 -0.037 0.000 1.012 610 D CA 0.361 54.321 54.000 -0.065 0.000 0.905 610 D CB -0.142 40.623 40.800 -0.057 0.000 0.895 610 D HN 0.256 nan 8.370 nan 0.000 0.532 611 R N -1.031 119.447 120.500 -0.036 0.000 3.515 611 R HA -0.109 4.231 4.340 -0.000 0.000 0.292 611 R C -0.781 175.505 176.300 -0.022 0.000 1.148 611 R CA 1.039 57.097 56.100 -0.071 0.000 0.786 611 R CB -3.110 27.179 30.300 -0.019 0.000 1.327 611 R HN 0.548 nan 8.270 nan 0.000 0.454 612 T N -2.143 112.458 114.554 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 -2.423 59.771 62.100 0.156 0.000 0.966 612 T CB 2.436 71.391 68.868 0.145 0.000 0.933 612 T HN -0.174 nan 8.240 nan 0.000 0.442 613 P HA 0.094 nan 4.420 nan 0.000 0.267 613 P C -0.180 177.163 177.300 0.072 0.000 1.200 613 P CA -0.009 63.075 63.100 -0.026 0.000 0.772 613 P CB 0.250 31.949 31.700 -0.002 0.000 0.855 614 H N 2.932 121.799 119.070 -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 0.861 30.379 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 -0.006 0.000 1.149 615 P CA 1.277 64.363 63.100 -0.024 0.000 0.817 615 P CB -0.052 31.625 31.700 -0.038 0.000 0.785 616 A N 0.189 123.007 122.820 -0.004 0.000 1.958 616 A HA -0.225 4.095 4.320 -0.000 0.000 0.221 616 A C 2.154 179.687 177.584 -0.085 0.000 1.178 616 A CA 1.686 53.687 52.037 -0.061 0.000 0.642 616 A CB -1.751 17.189 19.000 -0.100 0.000 0.816 616 A HN 0.167 nan 8.150 nan 0.000 0.453 617 L N 0.017 121.204 121.223 -0.060 0.000 2.089 617 L HA -0.209 4.131 4.340 -0.000 0.000 0.213 617 L C 2.493 179.397 176.870 0.057 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 0.452 nan 8.230 nan 0.000 0.433 618 T N -1.335 113.258 114.554 0.065 0.000 2.737 618 T HA -0.208 4.142 4.350 -0.000 0.000 0.265 618 T C 1.714 176.514 174.700 0.168 0.000 1.038 618 T CA 1.357 63.546 62.100 0.149 0.000 1.144 618 T CB -0.238 68.702 68.868 0.120 0.000 0.866 618 T HN 0.364 nan 8.240 nan 0.000 0.434 619 E N 1.546 121.795 120.200 0.081 0.000 2.085 619 E HA -0.120 4.230 4.350 -0.000 0.000 0.194 619 E C 2.235 178.862 176.600 0.046 0.000 0.994 619 E CA 1.407 57.864 56.400 0.095 0.000 0.801 619 E CB -0.567 29.153 29.700 0.034 0.000 0.743 619 E HN 0.454 nan 8.360 nan 0.000 0.453 620 A N 0.994 123.740 122.820 -0.123 0.000 1.865 620 A HA -0.285 4.035 4.320 -0.000 0.000 0.217 620 A C 2.188 179.695 177.584 -0.128 0.000 1.191 620 A CA 2.217 54.157 52.037 -0.161 0.000 0.623 620 A CB -0.775 18.115 19.000 -0.185 0.000 0.826 620 A HN 0.310 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 -0.310 4.010 4.320 -0.000 0.000 0.210 621 K C 2.065 178.576 176.600 -0.147 0.000 1.049 621 K CA 2.160 58.437 56.287 -0.017 0.000 0.927 621 K CB -0.380 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 0.247 119.750 119.800 -0.495 0.000 2.291 623 Q HA -0.116 4.224 4.340 -0.000 0.000 0.206 623 Q C 1.718 177.164 176.000 -0.923 0.000 0.976 623 Q CA 1.348 56.770 55.803 -0.636 0.000 0.875 623 Q CB -0.040 28.438 28.738 -0.433 0.000 0.927 623 Q HN 0.727 nan 8.270 nan 0.000 0.450 624 Q N 0.570 119.831 119.800 -0.897 0.000 2.319 624 Q HA 0.038 4.378 4.340 -0.000 0.000 0.202 624 Q C 0.065 175.510 176.000 -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 -0.418 118.979 119.800 -0.672 0.000 2.414 625 Q HA -0.060 4.280 4.340 -0.000 0.000 0.288 625 Q C -0.240 175.345 176.000 -0.691 0.000 1.086 625 Q CA 0.408 55.915 55.803 -0.493 0.000 0.943 625 Q CB 0.301 28.907 28.738 -0.220 0.000 1.282 625 Q HN 0.186 nan 8.270 nan 0.000 0.438 626 F N -0.152 119.543 119.950 -0.426 0.000 2.797 626 F HA 0.264 4.791 4.527 -0.000 0.000 0.302 626 F C -0.130 175.106 175.800 -0.939 0.000 1.130 626 F CA 0.014 57.520 58.000 -0.824 0.000 1.387 626 F CB 0.429 38.581 39.000 -1.412 0.000 1.107 626 F HN 0.344 nan 8.300 nan 0.000 0.577 627 F N 0.070 119.911 119.950 -0.180 0.000 2.532 627 F HA 0.490 5.017 4.527 -0.000 0.000 0.321 627 F C -0.234 175.231 175.800 -0.559 0.000 1.089 627 F CA -1.077 56.730 58.000 -0.321 0.000 0.926 627 F CB 1.369 40.199 39.000 -0.283 0.000 1.168 627 F HN -0.330 nan 8.300 nan 0.000 0.459 628 Q N 3.081 122.609 119.800 -0.454 0.000 2.353 628 Q HA 0.513 4.853 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 54.894 55.803 -0.444 0.000 0.811 628 Q CB 3.054 31.684 28.738 -0.179 0.000 1.305 628 Q HN 0.539 nan 8.270 nan 0.000 0.447 629 F N 0.465 120.539 119.950 0.208 0.000 2.522 629 F HA 0.610 5.137 4.527 -0.000 0.000 0.324 629 F C 0.549 176.584 175.800 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 0.114 nan 8.300 nan 0.000 0.468 630 R N 1.760 122.570 120.500 0.517 0.000 2.628 630 R HA 0.624 4.964 4.340 -0.000 0.000 0.288 630 R C -2.004 174.360 176.300 0.107 0.000 0.980 630 R CA -1.174 55.127 56.100 0.334 0.000 0.891 630 R CB 2.667 33.071 30.300 0.174 0.000 1.188 630 R HN 0.554 nan 8.270 nan 0.000 0.450 631 L N 1.376 122.549 121.223 -0.083 0.000 2.333 631 L HA 0.487 4.827 4.340 -0.000 0.000 0.280 631 L C -1.009 175.710 176.870 -0.251 0.000 1.004 631 L CA 0.087 54.653 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 0.446 174.960 174.600 -0.143 0.000 1.153 632 S CA 0.202 58.319 58.200 -0.137 0.000 1.084 632 S CB 0.252 63.407 63.200 -0.076 0.000 1.036 632 S HN 1.461 nan 8.310 nan 0.000 0.484 633 G N 4.316 113.030 108.800 -0.144 0.000 2.620 633 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.315 633 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.315 633 G C 0.435 175.234 174.900 -0.169 0.000 1.179 633 G CA 0.713 45.734 45.100 -0.132 0.000 0.971 633 G HN 0.651 nan 8.290 nan 0.000 0.544 634 Q N 1.346 121.055 119.800 -0.151 0.000 2.198 634 Q HA 0.215 4.555 4.340 -0.000 0.000 0.209 634 Q C 0.014 175.899 176.000 -0.192 0.000 0.848 634 Q CA 0.669 56.363 55.803 -0.181 0.000 0.974 634 Q CB 0.841 29.490 28.738 -0.149 0.000 1.115 634 Q HN 0.569 nan 8.270 nan 0.000 0.494 635 T N 0.811 115.262 114.554 -0.171 0.000 2.797 635 T HA 0.538 4.888 4.350 -0.000 0.000 0.279 635 T C 0.083 174.686 174.700 -0.161 0.000 0.991 635 T CA -0.390 61.625 62.100 -0.142 0.000 0.979 635 T CB 1.577 70.393 68.868 -0.087 0.000 0.943 635 T HN 0.020 nan 8.240 nan 0.000 0.444 636 I N 2.403 122.901 120.570 -0.119 0.000 2.336 636 I HA 0.327 4.497 4.170 -0.000 0.000 0.292 636 I C 0.475 176.624 176.117 0.053 0.000 0.991 636 I CA -0.663 60.599 61.300 -0.063 0.000 1.227 636 I CB 1.427 39.420 38.000 -0.012 0.000 1.366 636 I HN 0.625 nan 8.210 nan 0.000 0.466 637 E N 6.509 126.766 120.200 0.095 0.000 2.156 637 E HA 0.493 4.843 4.350 -0.000 0.000 0.279 637 E C -1.546 175.160 176.600 0.177 0.000 0.965 637 E CA -0.588 55.880 56.400 0.112 0.000 0.789 637 E CB 1.610 31.356 29.700 0.076 0.000 1.098 637 E HN 0.363 nan 8.360 nan 0.000 0.397 638 V N 3.637 123.630 119.914 0.132 0.000 2.555 638 V HA 0.419 4.539 4.120 -0.000 0.000 0.302 638 V C -0.159 175.954 176.094 0.031 0.000 1.038 638 V CA -0.702 61.641 62.300 0.072 0.000 0.887 638 V CB 1.913 33.810 31.823 0.123 0.000 0.991 638 V HN 0.726 nan 8.190 nan 0.000 0.434 639 T N 2.545 117.075 114.554 -0.041 0.000 2.861 639 T HA 0.386 4.736 4.350 -0.000 0.000 0.287 639 T C -0.299 174.395 174.700 -0.010 0.000 1.003 639 T CA -0.368 61.722 62.100 -0.015 0.000 0.977 639 T CB 1.690 70.530 68.868 -0.047 0.000 0.996 639 T HN 0.681 nan 8.240 nan 0.000 0.448 640 S N 1.551 117.252 115.700 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 -0.585 57.560 58.200 -0.091 0.000 1.078 640 S CB 0.491 63.710 63.200 0.031 0.000 0.987 640 S HN 0.697 nan 8.310 nan 0.000 0.482 641 E N 3.429 123.422 120.200 -0.344 0.000 2.451 641 E HA 0.094 4.444 4.350 -0.000 0.000 0.194 641 E C -0.860 175.592 176.600 -0.246 0.000 1.027 641 E CA -0.068 56.172 56.400 -0.266 0.000 0.914 641 E CB 0.333 29.861 29.700 -0.286 0.000 1.054 641 E HN 0.677 nan 8.360 nan 0.000 0.461 642 Y N 0.330 120.521 120.300 -0.181 0.000 2.309 642 Y HA 0.102 4.652 4.550 -0.000 0.000 0.327 642 Y C 1.401 177.138 175.900 -0.272 0.000 1.172 642 Y CA -0.308 57.657 58.100 -0.225 0.000 1.280 642 Y CB 0.996 39.300 38.460 -0.260 0.000 1.234 642 Y HN -0.033 nan 8.280 nan 0.000 0.512 643 L N 1.440 122.500 121.223 -0.272 0.000 2.408 643 L HA 0.061 4.401 4.340 -0.000 0.000 0.215 643 L C 0.668 177.079 176.870 -0.764 0.000 1.081 643 L CA 0.747 55.174 54.840 -0.689 0.000 0.840 643 L CB 0.049 41.289 42.059 -1.365 0.000 1.002 643 L HN 0.672 nan 8.230 nan 0.000 0.468 644 F N -0.399 119.557 119.950 0.011 0.000 2.747 644 F HA 0.198 4.725 4.527 -0.000 0.000 0.305 644 F C 1.388 177.160 175.800 -0.048 0.000 1.065 644 F CA -0.805 57.173 58.000 -0.035 0.000 1.230 644 F CB 0.360 39.315 39.000 -0.076 0.000 1.027 644 F HN -0.106 nan 8.300 nan 0.000 0.607 645 R N -0.075 120.451 120.500 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 0.003 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 -0.415 118.626 119.070 -0.048 0.000 2.502 646 H HA 0.200 4.756 4.556 -0.000 0.000 0.338 646 H C -0.308 175.039 175.328 0.033 0.000 1.155 646 H CA -0.475 55.584 56.048 0.019 0.000 1.237 646 H CB 1.542 31.322 29.762 0.031 0.000 1.534 646 H HN 0.745 nan 8.280 nan 0.000 0.523 647 S N 2.300 117.808 115.700 -0.319 0.000 3.988 647 S HA -0.069 4.401 4.470 -0.000 0.000 0.180 647 S C 0.176 174.859 174.600 0.139 0.000 1.242 647 S CA 0.015 58.229 58.200 0.022 0.000 0.947 647 S CB -0.985 62.228 63.200 0.023 0.000 1.519 647 S HN 0.722 nan 8.310 nan 0.000 0.439 648 D N 0.302 120.805 120.400 0.171 0.000 2.319 648 D HA 0.032 4.672 4.640 -0.000 0.000 0.230 648 D C 0.423 176.783 176.300 0.101 0.000 1.094 648 D CA -0.201 53.900 54.000 0.168 0.000 0.856 648 D CB -0.232 40.658 40.800 0.151 0.000 0.915 648 D HN 0.465 nan 8.370 nan 0.000 0.517 649 N N 0.013 118.771 118.700 0.097 0.000 2.622 649 N HA 0.119 4.859 4.740 -0.000 0.000 0.293 649 N C -1.545 174.019 175.510 0.091 0.000 1.788 649 N CA -0.232 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 0.108 120.356 120.200 0.080 0.000 2.246 650 E HA 0.435 4.785 4.350 -0.000 0.000 0.266 650 E C -1.522 175.096 176.600 0.030 0.000 0.880 650 E CA -0.604 55.824 56.400 0.046 0.000 0.762 650 E CB 1.921 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 3.538 124.771 121.223 0.017 0.000 2.341 651 L HA 0.545 4.885 4.340 -0.000 0.000 0.278 651 L C -1.471 175.425 176.870 0.043 0.000 1.005 651 L CA -0.925 53.943 54.840 0.046 0.000 0.818 651 L CB 1.523 43.610 42.059 0.047 0.000 1.259 651 L HN 0.595 nan 8.230 nan 0.000 0.418 652 L N 5.069 126.377 121.223 0.142 0.000 2.276 652 L HA 0.452 4.792 4.340 -0.000 0.000 0.286 652 L C -0.704 176.373 176.870 0.345 0.000 1.024 652 L CA 0.039 54.993 54.840 0.191 0.000 0.826 652 L CB 0.446 42.625 42.059 0.199 0.000 1.211 652 L HN 0.584 nan 8.230 nan 0.000 0.422 653 H N 5.808 124.925 119.070 0.080 0.000 2.467 653 H HA 0.383 4.939 4.556 -0.000 0.000 0.326 653 H C -1.120 174.269 175.328 0.100 0.000 1.094 653 H CA -0.736 55.316 56.048 0.006 0.000 1.253 653 H CB 0.944 30.681 29.762 -0.042 0.000 1.439 653 H HN 0.705 nan 8.280 nan 0.000 0.479 654 W N 3.610 124.981 121.300 0.118 0.000 2.929 654 W HA 0.589 5.249 4.660 -0.000 0.000 0.345 654 W C -1.482 175.072 176.519 0.058 0.000 1.151 654 W CA -1.432 55.967 57.345 0.091 0.000 1.111 654 W CB 1.622 31.128 29.460 0.076 0.000 1.449 654 W HN 0.611 nan 8.180 nan 0.000 0.572 655 M N 1.199 121.170 119.600 0.618 0.000 2.569 655 M HA 0.538 5.018 4.480 -0.000 0.000 0.287 655 M C -2.643 173.911 176.300 0.425 0.000 1.130 655 M CA -0.562 54.976 55.300 0.397 0.000 0.885 655 M CB 1.736 34.339 32.600 0.006 0.000 1.759 655 M HN 0.126 nan 8.290 nan 0.000 0.515 656 V N 2.350 122.493 119.914 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 1.295 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 4.104 127.045 122.820 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 1.453 122.767 121.223 0.151 0.000 2.280 658 L HA 0.558 4.898 4.340 -0.000 0.000 0.287 658 L C -0.391 176.579 176.870 0.166 0.000 1.023 658 L CA 0.247 55.189 54.840 0.171 0.000 0.819 658 L CB 0.332 42.456 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 1.184 177.512 176.300 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 -1.286 107.508 108.800 -0.010 0.000 2.213 660 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.236 660 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.236 660 G C 0.161 174.989 174.900 -0.120 0.000 0.991 660 G CA 0.279 45.271 45.100 -0.180 0.000 0.629 660 G HN 0.434 nan 8.290 nan 0.000 0.517 661 K N 2.208 122.588 120.400 -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 0.035 63.130 63.100 -0.008 0.000 0.768 662 P CB 0.687 32.358 31.700 -0.049 0.000 0.848 663 L N 1.302 122.555 121.223 0.050 0.000 2.717 663 L HA 0.538 4.878 4.340 -0.000 0.000 0.239 663 L C 0.799 177.714 176.870 0.074 0.000 1.086 663 L CA 0.112 54.986 54.840 0.058 0.000 0.897 663 L CB 0.327 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 -0.084 122.796 122.820 0.101 0.000 2.594 664 A HA 0.713 5.033 4.320 -0.000 0.000 0.296 664 A C -0.942 176.618 177.584 -0.041 0.000 1.056 664 A CA -0.333 51.776 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 -0.361 115.057 115.700 -0.470 0.000 2.627 665 S HA 0.983 5.453 4.470 -0.000 0.000 0.283 665 S C -0.072 173.505 174.600 -1.705 0.000 1.127 665 S CA -0.340 57.221 58.200 -1.065 0.000 0.863 665 S CB 2.026 64.872 63.200 -0.589 0.000 1.121 665 S HN 2.115 nan 8.310 nan 0.000 0.479 666 G N -0.197 107.247 108.800 -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 -2.159 172.204 174.900 -0.894 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 -0.539 119.489 120.200 -0.287 0.000 2.246 667 E HA 0.610 4.960 4.350 -0.000 0.000 0.266 667 E C -1.357 175.313 176.600 0.116 0.000 0.880 667 E CA -0.533 55.805 56.400 -0.103 0.000 0.762 667 E CB 2.593 32.192 29.700 -0.169 0.000 1.180 667 E HN 0.326 nan 8.360 nan 0.000 0.416 668 V N 5.730 125.767 119.914 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 -0.672 176.684 177.300 0.094 0.000 1.235 669 P CA -0.034 63.127 63.100 0.101 0.000 0.772 669 P CB 0.855 32.610 31.700 0.092 0.000 0.871 670 L N 3.114 124.379 121.223 0.070 0.000 2.350 670 L HA 0.314 4.654 4.340 -0.000 0.000 0.275 670 L C 0.511 177.429 176.870 0.080 0.000 1.099 670 L CA 0.232 55.102 54.840 0.050 0.000 0.808 670 L CB 0.572 42.609 42.059 -0.037 0.000 1.149 670 L HN 0.326 nan 8.230 nan 0.000 0.442 671 D N 2.251 122.702 120.400 0.084 0.000 2.429 671 D HA 0.385 5.025 4.640 -0.000 0.000 0.255 671 D C -1.328 174.992 176.300 0.034 0.000 1.257 671 D CA -0.062 54.032 54.000 0.158 0.000 0.890 671 D CB 0.985 41.913 40.800 0.214 0.000 1.267 671 D HN 0.101 nan 8.370 nan 0.000 0.521 672 V N 0.519 120.265 119.914 -0.280 0.000 2.638 672 V HA 0.898 5.018 4.120 -0.000 0.000 0.306 672 V C 0.519 176.374 176.094 -0.398 0.000 1.052 672 V CA -1.418 60.775 62.300 -0.179 0.000 0.885 672 V CB 1.423 33.267 31.823 0.035 0.000 0.999 672 V HN 0.435 nan 8.190 nan 0.000 0.424 673 A N 5.603 128.398 122.820 -0.043 0.000 2.371 673 A HA 0.769 5.089 4.320 -0.000 0.000 0.257 673 A C -2.294 175.319 177.584 0.049 0.000 1.089 673 A CA -1.535 50.565 52.037 0.105 0.000 0.794 673 A CB -0.164 18.941 19.000 0.174 0.000 1.029 673 A HN 0.741 nan 8.150 nan 0.000 0.488 674 P HA -0.044 nan 4.420 nan 0.000 0.261 674 P C -0.395 176.904 177.300 -0.001 0.000 1.165 674 P CA 0.721 63.837 63.100 0.028 0.000 0.759 674 P CB 0.139 31.837 31.700 -0.004 0.000 0.772 675 Q N -1.239 118.544 119.800 -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 -2.448 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 0.289 109.098 108.800 0.015 0.000 2.552 676 G HA2 0.614 4.574 3.960 -0.000 0.000 0.318 676 G HA3 0.614 4.574 3.960 -0.000 0.000 0.318 676 G C -0.624 174.298 174.900 0.036 0.000 1.240 676 G CA -0.674 44.444 45.100 0.031 0.000 1.002 676 G HN -0.021 nan 8.290 nan 0.000 0.493 677 K N -0.461 119.965 120.400 0.042 0.000 2.259 677 K HA 0.466 4.786 4.320 -0.000 0.000 0.249 677 K C -0.833 175.803 176.600 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 3.333 123.175 119.800 0.069 0.000 2.323 678 Q HA 0.377 4.717 4.340 -0.000 0.000 0.271 678 Q C -1.558 174.486 176.000 0.073 0.000 1.048 678 Q CA -0.675 55.173 55.803 0.074 0.000 0.792 678 Q CB 1.374 30.161 28.738 0.083 0.000 1.280 678 Q HN 0.532 nan 8.270 nan 0.000 0.441 679 L N 5.096 126.354 121.223 0.058 0.000 2.289 679 L HA 0.539 4.879 4.340 -0.000 0.000 0.285 679 L C -0.451 176.444 176.870 0.040 0.000 1.049 679 L CA -0.681 54.185 54.840 0.044 0.000 0.804 679 L CB 1.203 43.277 42.059 0.026 0.000 1.195 679 L HN 0.626 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 -0.739 60.569 61.300 0.012 0.000 1.111 680 I CB 2.029 40.056 38.000 0.045 0.000 1.262 680 I HN 0.466 nan 8.210 nan 0.000 0.443 681 E N 6.598 126.774 120.200 -0.039 0.000 2.223 681 E HA 0.389 4.739 4.350 -0.000 0.000 0.282 681 E C -0.642 175.889 176.600 -0.116 0.000 1.046 681 E CA -0.303 56.056 56.400 -0.069 0.000 0.857 681 E CB 1.365 31.042 29.700 -0.038 0.000 1.055 681 E HN 0.470 nan 8.360 nan 0.000 0.409 682 L N 6.161 127.277 121.223 -0.178 0.000 2.312 682 L HA 0.327 4.667 4.340 -0.000 0.000 0.281 682 L C -1.864 174.897 176.870 -0.182 0.000 1.070 682 L CA -1.902 52.776 54.840 -0.270 0.000 0.805 682 L CB 1.218 43.039 42.059 -0.397 0.000 1.174 682 L HN 0.233 nan 8.230 nan 0.000 0.434 683 P HA -0.010 nan 4.420 nan 0.000 0.270 683 P C -0.406 176.839 177.300 -0.091 0.000 1.223 683 P CA -0.322 62.737 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 0.996 121.169 120.200 -0.046 0.000 2.529 684 E HA 0.007 4.357 4.350 -0.000 0.000 0.259 684 E C -0.200 176.378 176.600 -0.038 0.000 0.966 684 E CA 0.286 56.659 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 6.072 127.261 121.223 -0.057 0.000 2.357 685 L HA 0.334 4.674 4.340 -0.000 0.000 0.273 685 L C -1.941 174.924 176.870 -0.008 0.000 1.080 685 L CA -2.150 52.666 54.840 -0.039 0.000 0.803 685 L CB 0.628 42.644 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 2.329 122.137 119.800 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 54.210 55.803 0.008 0.000 0.849 687 Q CB 0.101 28.839 28.738 -0.001 0.000 1.280 687 Q HN 0.387 nan 8.270 nan 0.000 0.441 688 P HA -0.065 nan 4.420 nan 0.000 0.267 688 P C 0.048 177.360 177.300 0.019 0.000 1.195 688 P CA 0.147 63.262 63.100 0.024 0.000 0.773 688 P CB 1.269 32.990 31.700 0.034 0.000 0.837 689 E N 0.200 120.412 120.200 0.020 0.000 2.099 689 E HA 0.013 4.363 4.350 -0.000 0.000 0.191 689 E C 0.540 177.153 176.600 0.022 0.000 0.962 689 E CA 0.494 56.904 56.400 0.018 0.000 0.826 689 E CB -0.591 29.119 29.700 0.016 0.000 0.788 689 E HN 0.530 nan 8.360 nan 0.000 0.461 690 S N 1.530 117.246 115.700 0.026 0.000 2.542 690 S HA 0.128 4.598 4.470 -0.000 0.000 0.287 690 S C 0.426 175.048 174.600 0.036 0.000 1.315 690 S CA 0.179 58.398 58.200 0.032 0.000 1.037 690 S CB 0.440 63.661 63.200 0.035 0.000 0.822 690 S HN 0.310 nan 8.310 nan 0.000 0.513 691 A N 1.394 124.239 122.820 0.041 0.000 2.322 691 A HA 0.785 5.105 4.320 -0.000 0.000 0.269 691 A C 0.865 178.485 177.584 0.061 0.000 1.094 691 A CA 0.208 52.272 52.037 0.045 0.000 0.807 691 A CB 0.003 19.031 19.000 0.047 0.000 1.047 691 A HN 1.865 nan 8.150 nan 0.000 0.487 692 G N -0.245 108.594 108.800 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 -0.609 119.269 119.800 0.131 0.000 2.290 693 Q HA 0.596 4.936 4.340 -0.000 0.000 0.259 693 Q C -0.668 175.418 176.000 0.143 0.000 0.941 693 Q CA -0.725 55.115 55.803 0.063 0.000 0.912 693 Q CB 2.089 30.902 28.738 0.124 0.000 1.244 693 Q HN 0.497 nan 8.270 nan 0.000 0.441 694 L N 4.025 125.222 121.223 -0.044 0.000 2.264 694 L HA 0.479 4.819 4.340 -0.000 0.000 0.289 694 L C -1.784 175.060 176.870 -0.043 0.000 1.044 694 L CA 0.051 54.917 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 5.413 126.779 121.300 0.109 0.000 2.915 695 W HA 0.562 5.222 4.660 -0.000 0.000 0.337 695 W C -1.062 175.561 176.519 0.175 0.000 1.102 695 W CA -0.715 56.718 57.345 0.145 0.000 1.224 695 W CB 1.683 31.255 29.460 0.187 0.000 1.416 695 W HN 0.279 nan 8.180 nan 0.000 0.503 696 L N 2.916 124.439 121.223 0.499 0.000 2.295 696 L HA 0.811 5.151 4.340 -0.000 0.000 0.285 696 L C -0.376 176.798 176.870 0.508 0.000 1.035 696 L CA 0.097 55.200 54.840 0.437 0.000 0.806 696 L CB 1.343 43.603 42.059 0.336 0.000 1.214 696 L HN 0.367 nan 8.230 nan 0.000 0.426 697 T N 4.839 119.636 114.554 0.405 0.000 2.881 697 T HA 0.644 4.994 4.350 -0.000 0.000 0.290 697 T C -0.861 174.020 174.700 0.302 0.000 1.000 697 T CA -0.454 61.837 62.100 0.318 0.000 0.978 697 T CB 1.610 70.600 68.868 0.204 0.000 0.997 697 T HN 0.615 nan 8.240 nan 0.000 0.443 698 V N 1.545 121.592 119.914 0.222 0.000 2.715 698 V HA 0.893 5.013 4.120 -0.000 0.000 0.310 698 V C -0.626 175.522 176.094 0.091 0.000 1.054 698 V CA -1.075 61.315 62.300 0.150 0.000 0.928 698 V CB 1.928 33.754 31.823 0.006 0.000 1.007 698 V HN 0.809 nan 8.190 nan 0.000 0.437 699 R N 1.896 122.471 120.500 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 3.124 123.118 119.914 0.134 0.000 2.448 700 V HA 0.502 4.622 4.120 -0.000 0.000 0.295 700 V C -0.612 175.493 176.094 0.019 0.000 1.025 700 V CA -0.680 61.665 62.300 0.075 0.000 0.859 700 V CB 1.732 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 4.225 124.094 119.914 -0.075 0.000 2.769 701 V HA 0.486 4.606 4.120 -0.000 0.000 0.312 701 V C -0.427 175.666 176.094 -0.002 0.000 1.061 701 V CA -0.845 61.405 62.300 -0.083 0.000 0.931 701 V CB 1.996 33.668 31.823 -0.251 0.000 1.010 701 V HN 0.875 nan 8.190 nan 0.000 0.433 702 Q N 3.883 123.715 119.800 0.052 0.000 2.465 702 Q HA 0.278 4.618 4.340 -0.000 0.000 0.237 702 Q C -1.837 174.180 176.000 0.029 0.000 1.051 702 Q CA -1.809 54.036 55.803 0.071 0.000 0.874 702 Q CB 1.812 30.624 28.738 0.122 0.000 1.207 702 Q HN 0.504 nan 8.270 nan 0.000 0.508 703 P HA -0.221 nan 4.420 nan 0.000 0.214 703 P C -0.532 176.769 177.300 0.002 0.000 1.163 703 P CA 1.403 64.512 63.100 0.015 0.000 0.889 703 P CB 0.264 31.980 31.700 0.027 0.000 0.790 704 N N -0.771 117.925 118.700 -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 39.277 38.487 -0.021 0.000 1.164 704 N HN 0.020 nan 8.380 nan 0.000 0.480 705 A N 0.740 123.508 122.820 -0.087 0.000 2.327 705 A HA 0.536 4.856 4.320 -0.000 0.000 0.255 705 A C 0.578 178.039 177.584 -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 0.875 175.383 174.700 -0.320 0.000 1.070 706 T CA 0.069 61.934 62.100 -0.391 0.000 1.010 706 T CB 1.102 69.488 68.868 -0.804 0.000 1.264 706 T HN 1.427 nan 8.240 nan 0.000 0.532 707 A N -0.051 122.682 122.820 -0.144 0.000 2.121 707 A HA 0.109 4.429 4.320 -0.000 0.000 0.218 707 A C 1.557 179.253 177.584 0.187 0.000 1.154 707 A CA 1.105 53.196 52.037 0.090 0.000 0.679 707 A CB -0.866 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 0.079 0.000 2.714 708 W HA 0.431 5.091 4.660 -0.000 0.000 0.353 708 W C -0.174 176.306 176.519 -0.065 0.000 0.999 708 W CA 0.439 57.792 57.345 0.013 0.000 1.629 708 W CB -1.132 28.324 29.460 -0.007 0.000 1.106 708 W HN 0.419 nan 8.180 nan 0.000 0.545 709 S N 0.233 115.447 115.700 -0.810 0.000 2.541 709 S HA 0.415 4.885 4.470 -0.000 0.000 0.271 709 S C -0.499 173.835 174.600 -0.444 0.000 1.133 709 S CA -0.630 57.126 58.200 -0.739 0.000 0.876 709 S CB 2.769 65.123 63.200 -1.409 0.000 1.105 709 S HN 0.039 nan 8.310 nan 0.000 0.470 710 E N 0.884 120.937 120.200 -0.245 0.000 2.369 710 E HA 0.516 4.866 4.350 -0.000 0.000 0.255 710 E C 0.487 177.035 176.600 -0.085 0.000 1.172 710 E CA -0.368 55.964 56.400 -0.114 0.000 0.932 710 E CB 0.942 30.626 29.700 -0.027 0.000 1.040 710 E HN 0.883 nan 8.360 nan 0.000 0.454 711 A N -0.339 122.453 122.820 -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 0.011 108.824 108.800 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 0.102 175.037 174.900 0.058 0.000 1.005 712 G CA 0.738 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 0.170 119.230 119.070 -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 55.431 56.048 0.025 0.000 1.431 713 H CB 0.342 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 4.739 125.030 120.570 -0.464 0.000 2.325 714 I HA 0.019 4.189 4.170 -0.000 0.000 0.291 714 I C 1.162 177.104 176.117 -0.292 0.000 1.019 714 I CA 0.066 61.211 61.300 -0.258 0.000 1.302 714 I CB 0.629 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 0.400 0.000 1.018 715 S CA 0.168 58.548 58.200 0.300 0.000 0.911 715 S CB 0.616 64.112 63.200 0.495 0.000 0.818 715 S HN 0.738 nan 8.310 nan 0.000 0.497 716 A N 0.498 123.584 122.820 0.443 0.000 2.605 716 A HA 0.652 4.972 4.320 -0.000 0.000 0.294 716 A C -1.759 176.161 177.584 0.561 0.000 1.062 716 A CA -0.904 51.393 52.037 0.433 0.000 0.682 716 A CB 0.396 19.687 19.000 0.486 0.000 1.278 716 A HN 0.897 nan 8.150 nan 0.000 0.410 717 W N 0.109 121.561 121.300 0.252 0.000 3.025 717 W HA 0.821 5.481 4.660 -0.000 0.000 0.343 717 W C -1.133 175.409 176.519 0.038 0.000 1.246 717 W CA -0.658 56.725 57.345 0.063 0.000 1.178 717 W CB 1.224 30.671 29.460 -0.022 0.000 1.463 717 W HN 1.088 nan 8.180 nan 0.000 0.578 718 Q N 1.664 121.485 119.800 0.035 0.000 2.545 718 Q HA 0.341 4.681 4.340 -0.000 0.000 0.273 718 Q C -1.635 174.145 176.000 -0.367 0.000 0.975 718 Q CA -0.596 55.061 55.803 -0.245 0.000 0.876 718 Q CB 2.179 30.637 28.738 -0.468 0.000 1.472 718 Q HN 0.678 nan 8.270 nan 0.000 0.389 719 Q N 2.941 122.480 119.800 -0.436 0.000 2.456 719 Q HA 0.663 5.003 4.340 -0.000 0.000 0.283 719 Q C -1.372 174.517 176.000 -0.185 0.000 1.084 719 Q CA -0.599 55.104 55.803 -0.166 0.000 0.801 719 Q CB 1.788 30.615 28.738 0.148 0.000 1.434 719 Q HN 0.670 nan 8.270 nan 0.000 0.419 720 W N 1.501 122.997 121.300 0.327 0.000 3.033 720 W HA 0.468 5.128 4.660 -0.000 0.000 0.336 720 W C -0.523 176.050 176.519 0.090 0.000 1.173 720 W CA -0.828 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 -0.084 0.000 2.198 721 R HA 0.305 4.645 4.340 -0.000 0.000 0.339 721 R C 0.738 176.830 176.300 -0.346 0.000 1.020 721 R CA -0.163 55.483 56.100 -0.758 0.000 0.864 721 R CB 0.594 30.069 30.300 -1.374 0.000 1.105 721 R HN 0.593 nan 8.270 nan 0.000 0.463 722 L N 2.725 123.794 121.223 -0.257 0.000 2.049 722 L HA 0.196 4.536 4.340 -0.000 0.000 0.203 722 L C 0.939 177.712 176.870 -0.162 0.000 1.074 722 L CA 1.031 55.784 54.840 -0.145 0.000 0.749 722 L CB -0.200 41.815 42.059 -0.072 0.000 0.907 722 L HN 0.668 nan 8.230 nan 0.000 0.439 723 A N -0.825 121.882 122.820 -0.188 0.000 2.568 723 A HA 0.652 4.972 4.320 -0.000 0.000 0.291 723 A C -1.443 176.050 177.584 -0.153 0.000 1.159 723 A CA -0.423 51.529 52.037 -0.141 0.000 0.679 723 A CB 1.923 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 0.135 120.278 120.200 -0.096 0.000 2.304 724 E HA 0.425 4.775 4.350 -0.000 0.000 0.277 724 E C -1.814 174.768 176.600 -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 4.421 123.118 118.700 -0.006 0.000 2.564 725 N HA 0.292 5.032 4.740 -0.000 0.000 0.248 725 N C -0.650 174.871 175.510 0.018 0.000 0.986 725 N CA -0.333 52.721 53.050 0.007 0.000 0.921 725 N CB 1.073 39.569 38.487 0.015 0.000 1.136 725 N HN 0.487 nan 8.380 nan 0.000 0.509 726 L N 0.815 122.047 121.223 0.015 0.000 2.490 726 L HA 0.067 4.407 4.340 -0.000 0.000 0.274 726 L C 1.153 178.041 176.870 0.030 0.000 1.201 726 L CA 0.290 55.145 54.840 0.025 0.000 0.869 726 L CB 0.508 42.580 42.059 0.021 0.000 1.123 726 L HN 0.353 nan 8.230 nan 0.000 0.484 727 S N 2.057 117.780 115.700 0.040 0.000 2.439 727 S HA 0.257 4.727 4.470 -0.000 0.000 0.282 727 S C 0.518 175.140 174.600 0.037 0.000 1.170 727 S CA -0.912 57.312 58.200 0.041 0.000 1.054 727 S CB 0.720 63.950 63.200 0.050 0.000 0.956 727 S HN 0.437 nan 8.310 nan 0.000 0.490 728 V N 2.792 122.724 119.914 0.031 0.000 3.177 728 V HA 0.321 4.441 4.120 -0.000 0.000 0.342 728 V C 0.775 176.886 176.094 0.029 0.000 1.379 728 V CA -0.082 62.235 62.300 0.028 0.000 1.191 728 V CB -1.148 30.689 31.823 0.023 0.000 1.167 728 V HN 0.835 nan 8.190 nan 0.000 0.471 729 T N -0.188 114.385 114.554 0.032 0.000 2.902 729 T HA 0.778 5.128 4.350 -0.000 0.000 0.280 729 T C -0.534 174.185 174.700 0.032 0.000 0.992 729 T CA -0.593 61.526 62.100 0.030 0.000 1.015 729 T CB 1.985 70.871 68.868 0.030 0.000 1.044 729 T HN 0.220 nan 8.240 nan 0.000 0.520 730 L N 1.738 122.978 121.223 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 -2.116 52.741 54.840 0.029 0.000 0.815 730 L CB 0.648 42.722 42.059 0.025 0.000 1.268 730 L HN 0.579 nan 8.230 nan 0.000 0.428 731 P HA 0.270 nan 4.420 nan 0.000 0.267 731 P C -0.476 176.836 177.300 0.020 0.000 1.209 731 P CA -0.337 62.778 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 3.304 126.134 122.820 0.017 0.000 2.406 732 A HA 0.497 4.817 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 51.997 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 1.074 123.913 122.820 0.032 0.000 2.466 733 A HA 0.499 4.819 4.320 -0.000 0.000 0.238 733 A C 0.760 178.337 177.584 -0.012 0.000 1.074 733 A CA 0.456 52.517 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 0.151 115.843 115.700 -0.013 0.000 2.593 734 S HA 0.515 4.985 4.470 -0.000 0.000 0.297 734 S C 0.062 174.686 174.600 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 64.072 63.200 -0.053 0.000 1.054 734 S HN 0.649 nan 8.310 nan 0.000 0.516 735 H N 0.239 119.319 119.070 0.016 0.000 2.539 735 H HA 0.609 5.165 4.556 -0.000 0.000 0.267 735 H C 0.653 175.988 175.328 0.012 0.000 0.982 735 H CA 0.443 56.498 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 0.584 123.465 122.820 0.101 0.000 2.557 736 A HA 0.659 4.979 4.320 -0.000 0.000 0.292 736 A C -1.134 176.479 177.584 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 -1.633 118.965 120.570 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 -2.545 58.780 61.300 0.042 0.000 1.025 737 I CB 2.452 40.467 38.000 0.026 0.000 1.243 737 I HN 0.402 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 0.478 63.637 63.100 0.098 0.000 0.773 738 P CB 0.148 31.860 31.700 0.019 0.000 0.837 739 H N 2.037 121.136 119.070 0.049 0.000 2.587 739 H HA 0.356 4.912 4.556 -0.000 0.000 0.325 739 H C -0.750 174.604 175.328 0.042 0.000 1.012 739 H CA -1.143 54.926 56.048 0.034 0.000 1.213 739 H CB 0.861 30.645 29.762 0.036 0.000 1.431 739 H HN 0.196 nan 8.280 nan 0.000 0.492 740 L N 4.444 125.626 121.223 -0.068 0.000 2.453 740 L HA 0.329 4.669 4.340 -0.000 0.000 0.261 740 L C -0.634 176.062 176.870 -0.290 0.000 1.179 740 L CA 0.397 55.140 54.840 -0.161 0.000 0.813 740 L CB 1.394 43.398 42.059 -0.090 0.000 1.110 740 L HN 0.746 nan 8.230 nan 0.000 0.466 741 T N 2.545 117.018 114.554 -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 0.866 69.650 68.868 -0.140 0.000 1.065 741 T HN 0.725 nan 8.240 nan 0.000 0.459 742 T N 2.479 117.114 114.554 0.135 0.000 2.816 742 T HA 0.774 5.124 4.350 -0.000 0.000 0.282 742 T C 0.390 175.163 174.700 0.121 0.000 0.993 742 T CA -0.521 61.726 62.100 0.245 0.000 0.994 742 T CB 1.298 70.325 68.868 0.266 0.000 1.025 742 T HN 0.713 nan 8.240 nan 0.000 0.529 743 S N -1.066 114.679 115.700 0.074 0.000 2.703 743 S HA 0.300 4.770 4.470 -0.000 0.000 0.273 743 S C 0.422 174.996 174.600 -0.044 0.000 1.178 743 S CA -0.637 57.569 58.200 0.010 0.000 0.838 743 S CB 1.182 64.384 63.200 0.003 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 1.424 177.957 176.600 -0.113 0.000 0.979 744 E CA 0.942 57.303 56.400 -0.066 0.000 0.814 744 E CB -0.067 29.610 29.700 -0.038 0.000 0.762 744 E HN 0.558 nan 8.360 nan 0.000 0.460 745 M N 0.911 120.455 119.600 -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 0.807 56.052 55.300 -0.092 0.000 1.127 745 M CB -0.587 31.991 32.600 -0.036 0.000 1.376 745 M HN 0.047 nan 8.290 nan 0.000 0.465 746 D N -1.931 118.359 120.400 -0.183 0.000 2.865 746 D HA 0.444 5.084 4.640 -0.000 0.000 0.343 746 D C -0.977 175.203 176.300 -0.201 0.000 1.372 746 D CA -0.708 53.153 54.000 -0.232 0.000 0.862 746 D CB 0.630 41.424 40.800 -0.010 0.000 1.425 746 D HN -0.032 nan 8.370 nan 0.000 0.501 750 E N 4.580 124.915 120.200 0.224 0.000 2.288 750 E HA 0.877 5.227 4.350 -0.000 0.000 0.268 750 E C -1.774 174.988 176.600 0.270 0.000 0.885 750 E CA -0.834 55.701 56.400 0.225 0.000 0.767 750 E CB 2.791 32.546 29.700 0.092 0.000 1.220 750 E HN 0.560 nan 8.360 nan 0.000 0.427 751 L N 4.136 125.510 121.223 0.251 0.000 2.811 751 L HA 0.460 4.800 4.340 -0.000 0.000 0.251 751 L C -0.108 176.834 176.870 0.121 0.000 0.971 751 L CA 0.770 55.738 54.840 0.214 0.000 0.990 751 L CB 0.960 43.205 42.059 0.311 0.000 1.320 751 L HN 0.790 nan 8.230 nan 0.000 0.473 752 G N 3.662 112.505 108.800 0.072 0.000 2.527 752 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.268 752 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.268 752 G C 0.591 175.486 174.900 -0.008 0.000 1.175 752 G CA 0.476 45.593 45.100 0.028 0.000 0.962 752 G HN 1.012 nan 8.290 nan 0.000 0.560 753 N N 0.968 119.648 118.700 -0.032 0.000 2.459 753 N HA 0.017 4.757 4.740 -0.000 0.000 0.181 753 N C 0.796 176.241 175.510 -0.108 0.000 1.046 753 N CA 1.431 54.444 53.050 -0.063 0.000 0.904 753 N CB -0.122 38.330 38.487 -0.058 0.000 0.964 753 N HN 0.763 nan 8.380 nan 0.000 0.444 754 K N 0.361 120.678 120.400 -0.138 0.000 2.298 754 K HA 0.326 4.646 4.320 -0.000 0.000 0.280 754 K C -0.194 176.191 176.600 -0.359 0.000 1.032 754 K CA -0.175 55.906 56.287 -0.343 0.000 0.958 754 K CB 1.140 33.368 32.500 -0.454 0.000 0.978 754 K HN 0.041 nan 8.250 nan 0.000 0.472 755 R N 1.860 122.044 120.500 -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 1.313 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 3.226 124.625 121.300 0.165 0.000 2.883 756 W HA 0.335 4.995 4.660 -0.000 0.000 0.335 756 W C -0.716 175.883 176.519 0.133 0.000 1.083 756 W CA -0.563 56.837 57.345 0.092 0.000 1.233 756 W CB 2.239 31.726 29.460 0.046 0.000 1.412 756 W HN 0.476 nan 8.180 nan 0.000 0.490 757 Q N 2.481 122.420 119.800 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 1.910 30.834 28.738 0.311 0.000 1.303 757 Q HN 0.348 nan 8.270 nan 0.000 0.444 758 F N 2.760 122.799 119.950 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 1.442 40.507 39.000 0.108 0.000 1.160 758 F HN 0.561 nan 8.300 nan 0.000 0.451 759 N N 3.641 122.435 118.700 0.156 0.000 2.475 759 N HA 0.052 4.792 4.740 -0.000 0.000 0.267 759 N C 0.880 176.389 175.510 -0.002 0.000 1.169 759 N CA 0.077 53.166 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 2.371 122.793 120.500 -0.129 0.000 2.276 760 R HA -0.063 4.277 4.340 -0.000 0.000 0.203 760 R C 1.127 177.350 176.300 -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 -0.658 119.101 119.800 -0.068 0.000 2.204 761 Q HA -0.009 4.331 4.340 -0.000 0.000 0.198 761 Q C 2.081 178.061 176.000 -0.034 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 -1.408 114.298 115.700 0.009 0.000 2.458 762 S HA 0.184 4.654 4.470 -0.000 0.000 0.223 762 S C 1.619 176.116 174.600 -0.173 0.000 1.019 762 S CA 0.506 58.733 58.200 0.045 0.000 0.937 762 S CB 0.131 63.483 63.200 0.253 0.000 0.788 762 S HN 0.456 nan 8.310 nan 0.000 0.511 763 G N 0.383 109.103 108.800 -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 0.374 45.370 45.100 -0.174 0.000 0.670 763 G HN 0.536 nan 8.290 nan 0.000 0.528 764 F N -1.308 118.821 119.950 0.299 0.000 2.541 764 F HA 0.683 5.210 4.527 -0.000 0.000 0.331 764 F C 0.512 176.372 175.800 0.099 0.000 1.057 764 F CA -1.444 56.705 58.000 0.248 0.000 0.975 764 F CB 1.315 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 1.535 122.852 121.223 0.158 0.000 2.485 765 L HA 0.222 4.562 4.340 -0.000 0.000 0.279 765 L C 0.583 177.360 176.870 -0.156 0.000 1.124 765 L CA 0.664 55.213 54.840 -0.485 0.000 0.888 765 L CB 0.120 41.871 42.059 -0.513 0.000 1.217 765 L HN 0.631 nan 8.230 nan 0.000 0.464 766 S N 2.674 118.287 115.700 -0.145 0.000 2.425 766 S HA 0.107 4.577 4.470 -0.000 0.000 0.225 766 S C 0.456 174.961 174.600 -0.159 0.000 1.024 766 S CA 0.427 58.588 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 -0.246 119.408 119.800 -0.245 0.000 2.633 767 Q HA 0.650 4.990 4.340 -0.000 0.000 0.289 767 Q C -1.648 174.042 176.000 -0.516 0.000 0.940 767 Q CA -0.641 54.894 55.803 -0.448 0.000 0.785 767 Q CB 1.409 29.761 28.738 -0.643 0.000 1.467 767 Q HN 0.282 nan 8.270 nan 0.000 0.401 768 M N 0.072 119.221 119.600 -0.751 0.000 2.465 768 M HA 0.771 5.251 4.480 -0.000 0.000 0.284 768 M C -1.953 173.935 176.300 -0.687 0.000 1.212 768 M CA -0.330 54.621 55.300 -0.583 0.000 0.910 768 M CB 1.961 34.240 32.600 -0.534 0.000 1.725 768 M HN 0.508 nan 8.290 nan 0.000 0.477 769 W N 3.043 124.114 121.300 -0.382 0.000 2.864 769 W HA 0.704 5.364 4.660 -0.000 0.000 0.343 769 W C -1.533 174.781 176.519 -0.341 0.000 1.109 769 W CA -0.884 56.288 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 2.418 122.992 120.570 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 61.418 61.300 -0.074 0.000 1.111 770 I CB 1.129 39.055 38.000 -0.124 0.000 1.236 770 I HN 0.710 nan 8.210 nan 0.000 0.452 771 G N 5.583 114.370 108.800 -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 0.292 175.211 174.900 0.032 0.000 1.159 771 G CA 0.474 45.565 45.100 -0.015 0.000 0.969 771 G HN 0.740 nan 8.290 nan 0.000 0.554 772 D N 0.948 121.380 120.400 0.053 0.000 2.363 772 D HA 0.243 4.883 4.640 -0.000 0.000 0.214 772 D C 0.611 177.044 176.300 0.222 0.000 1.093 772 D CA 0.213 54.277 54.000 0.108 0.000 0.837 772 D CB 0.246 41.068 40.800 0.036 0.000 0.948 772 D HN 0.482 nan 8.370 nan 0.000 0.507 773 K N 1.024 121.524 120.400 0.167 0.000 2.234 773 K HA 0.284 4.604 4.320 -0.000 0.000 0.277 773 K C -0.007 176.564 176.600 -0.050 0.000 1.038 773 K CA -0.470 55.856 56.287 0.064 0.000 0.888 773 K CB 1.713 34.209 32.500 -0.007 0.000 1.091 773 K HN -0.125 nan 8.250 nan 0.000 0.467 774 K N 1.910 122.191 120.400 -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 -0.185 55.758 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 1.047 120.604 119.800 -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 0.515 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 0.355 121.434 121.223 -0.239 0.000 2.362 776 L HA 0.412 4.752 4.340 -0.000 0.000 0.271 776 L C 0.726 177.470 176.870 -0.211 0.000 1.002 776 L CA -0.463 54.264 54.840 -0.190 0.000 0.818 776 L CB 1.664 43.620 42.059 -0.172 0.000 1.298 776 L HN -0.148 nan 8.230 nan 0.000 0.420 777 L N 0.068 121.159 121.223 -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 55.454 54.840 -0.209 0.000 0.851 777 L CB 0.275 42.188 42.059 -0.244 0.000 0.994 777 L HN 0.619 nan 8.230 nan 0.000 0.462 778 T N -0.261 114.171 114.554 -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 -0.092 0.000 1.119 778 T CA -1.277 60.744 62.100 -0.131 0.000 1.008 778 T CB 2.323 71.090 68.868 -0.168 0.000 1.129 778 T HN -0.280 nan 8.240 nan 0.000 0.480 779 P HA 0.268 nan 4.420 nan 0.000 0.272 779 P C -0.765 176.507 177.300 -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 3.912 125.144 121.223 0.014 0.000 2.369 780 L HA 0.252 4.592 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 0.457 55.329 54.840 0.054 0.000 0.852 780 L CB -0.780 41.420 42.059 0.235 0.000 1.169 780 L HN 0.463 nan 8.230 nan 0.000 0.452 781 R N 1.957 122.352 120.500 -0.176 0.000 2.799 781 R HA 0.617 4.957 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 -1.107 54.787 56.100 -0.343 0.000 0.916 781 R CB 0.633 30.370 30.300 -0.937 0.000 1.228 781 R HN 0.373 nan 8.270 nan 0.000 0.469 782 D N 0.897 121.206 120.400 -0.151 0.000 2.423 782 D HA 0.046 4.686 4.640 -0.000 0.000 0.238 782 D C -0.638 175.279 176.300 -0.639 0.000 1.142 782 D CA 0.553 54.333 54.000 -0.366 0.000 0.884 782 D CB 0.704 41.296 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 0.310 4.650 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 54.689 55.803 -0.869 0.000 0.812 783 Q CB 0.849 29.308 28.738 -0.466 0.000 1.300 783 Q HN 0.562 nan 8.270 nan 0.000 0.427 784 F N 0.574 120.195 119.950 -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 -0.078 57.505 58.000 -0.694 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 -0.795 113.504 114.554 -0.424 0.000 2.883 785 T HA 0.754 5.104 4.350 -0.000 0.000 0.284 785 T C -0.488 173.974 174.700 -0.397 0.000 1.041 785 T CA -0.926 60.837 62.100 -0.562 0.000 1.007 785 T CB 2.584 71.071 68.868 -0.635 0.000 1.220 785 T HN 0.226 nan 8.240 nan 0.000 0.552 786 R N -0.541 119.752 120.500 -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 -0.120 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 3.384 126.237 122.820 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 -0.050 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 0.766 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 2.471 123.768 121.223 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 -0.584 54.267 54.840 0.019 0.000 0.804 789 L CB 0.069 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 0.435 120.791 120.400 -0.075 0.000 2.116 790 D HA -0.170 4.470 4.640 -0.000 0.000 0.193 790 D C 1.632 177.867 176.300 -0.108 0.000 0.998 790 D CA 1.498 55.388 54.000 -0.183 0.000 0.836 790 D CB 0.044 40.648 40.800 -0.327 0.000 0.951 790 D HN 0.489 nan 8.370 nan 0.000 0.449 791 N N 1.136 119.787 118.700 -0.083 0.000 2.205 791 N HA -0.126 4.614 4.740 -0.000 0.000 0.186 791 N C 1.193 176.724 175.510 0.036 0.000 1.015 791 N CA 0.784 53.816 53.050 -0.029 0.000 0.862 791 N CB -0.297 38.159 38.487 -0.052 0.000 0.986 791 N HN 0.252 nan 8.380 nan 0.000 0.429 792 D N 0.175 120.611 120.400 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 0.431 54.510 54.000 0.131 0.000 0.864 792 D CB 0.151 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 -0.414 120.202 120.570 0.077 0.000 2.729 793 I HA 0.110 4.280 4.170 -0.000 0.000 0.256 793 I C 1.893 178.045 176.117 0.058 0.000 1.115 793 I CA 0.605 61.941 61.300 0.059 0.000 1.446 793 I CB -0.149 37.863 38.000 0.021 0.000 1.176 793 I HN 0.072 nan 8.210 nan 0.000 0.446 794 G N 1.420 110.266 108.800 0.077 0.000 2.565 794 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.295 794 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.295 794 G C 0.689 175.756 174.900 0.278 0.000 1.165 794 G CA 0.934 46.142 45.100 0.181 0.000 0.977 794 G HN 0.655 nan 8.290 nan 0.000 0.546 795 V N -2.213 117.805 119.914 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 1.025 63.385 62.300 0.099 0.000 1.143 795 V CB 0.331 32.117 31.823 -0.063 0.000 1.098 795 V HN 1.254 nan 8.190 nan 0.000 0.463 796 S N 1.321 117.047 115.700 0.042 0.000 2.533 796 S HA 0.360 4.830 4.470 -0.000 0.000 0.282 796 S C -0.148 174.467 174.600 0.026 0.000 1.304 796 S CA 0.192 58.403 58.200 0.018 0.000 1.063 796 S CB 0.465 63.673 63.200 0.014 0.000 0.881 796 S HN 0.815 nan 8.310 nan 0.000 0.493 797 E N 1.858 122.066 120.200 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 1.517 31.224 29.700 0.012 0.000 1.248 797 E HN 0.626 nan 8.360 nan 0.000 0.440 798 A N 1.458 124.297 122.820 0.032 0.000 1.903 798 A HA -0.261 4.059 4.320 -0.000 0.000 0.219 798 A C 2.115 179.712 177.584 0.022 0.000 1.191 798 A CA 2.790 54.846 52.037 0.031 0.000 0.638 798 A CB -1.235 17.790 19.000 0.041 0.000 0.823 798 A HN 0.751 nan 8.150 nan 0.000 0.451 799 T N -2.329 112.236 114.554 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 1.295 63.402 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 0.548 121.044 120.500 -0.005 0.000 2.402 800 R HA 0.504 4.844 4.340 -0.000 0.000 0.290 800 R C -1.119 175.172 176.300 -0.016 0.000 1.321 800 R CA -0.557 55.532 56.100 -0.017 0.000 1.283 800 R CB 0.205 30.486 30.300 -0.031 0.000 1.111 800 R HN 0.414 nan 8.270 nan 0.000 0.578 801 I N 1.854 122.417 120.570 -0.011 0.000 2.634 801 I HA -0.056 4.114 4.170 -0.000 0.000 0.284 801 I C 0.240 176.342 176.117 -0.025 0.000 1.124 801 I CA 0.530 61.823 61.300 -0.011 0.000 1.417 801 I CB 0.804 38.800 38.000 -0.006 0.000 1.396 801 I HN 0.398 nan 8.210 nan 0.000 0.571 802 D N 8.680 129.063 120.400 -0.029 0.000 2.477 802 D HA 0.279 4.919 4.640 -0.000 0.000 0.239 802 D C -1.692 174.567 176.300 -0.069 0.000 1.102 802 D CA -2.370 51.602 54.000 -0.045 0.000 0.901 802 D CB 1.144 41.921 40.800 -0.039 0.000 1.026 802 D HN 0.133 nan 8.370 nan 0.000 0.515 803 P HA -0.169 nan 4.420 nan 0.000 0.219 803 P C 0.428 177.636 177.300 -0.154 0.000 1.144 803 P CA 1.040 64.083 63.100 -0.096 0.000 0.806 803 P CB 0.286 31.937 31.700 -0.081 0.000 0.771 804 N N -0.552 118.049 118.700 -0.166 0.000 2.373 804 N HA 0.099 4.839 4.740 -0.000 0.000 0.181 804 N C 0.842 176.146 175.510 -0.345 0.000 1.082 804 N CA 0.091 52.987 53.050 -0.257 0.000 0.885 804 N CB -0.064 38.287 38.487 -0.227 0.000 0.977 804 N HN 0.096 nan 8.380 nan 0.000 0.462 805 A N 0.668 123.348 122.820 -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 -0.340 51.565 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 1.924 122.961 121.300 -0.439 0.000 2.302 806 W HA -0.225 4.435 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 1.939 58.738 57.345 -0.911 0.000 1.264 806 W CB -0.480 28.291 29.460 -1.149 0.000 1.154 806 W HN 0.564 nan 8.180 nan 0.000 0.483 807 V N 0.777 120.611 119.914 -0.134 0.000 2.324 807 V HA -0.316 3.804 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 2.285 64.733 62.300 0.248 0.000 1.042 807 V CB -0.476 31.511 31.823 0.273 0.000 0.650 807 V HN 0.093 nan 8.190 nan 0.000 0.450 808 E N 0.165 120.370 120.200 0.008 0.000 2.051 808 E HA -0.194 4.156 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 1.512 57.907 56.400 -0.009 0.000 0.799 808 E CB -0.395 29.270 29.700 -0.059 0.000 0.748 808 E HN 0.661 nan 8.360 nan 0.000 0.449 809 R N -0.394 120.008 120.500 -0.164 0.000 2.075 809 R HA -0.112 4.228 4.340 -0.000 0.000 0.232 809 R C 2.315 178.571 176.300 -0.074 0.000 1.126 809 R CA 1.068 57.053 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 2.121 123.379 121.300 -0.070 0.000 2.358 810 W HA -0.056 4.604 4.660 -0.000 0.000 0.303 810 W C 2.071 178.546 176.519 -0.074 0.000 1.208 810 W CA 0.475 57.681 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 -0.125 4.195 4.320 -0.000 0.000 0.210 811 K C 2.203 178.883 176.600 0.134 0.000 1.047 811 K CA 1.750 58.224 56.287 0.312 0.000 0.932 811 K CB -0.690 31.940 32.500 0.218 0.000 0.716 811 K HN -0.015 nan 8.250 nan 0.000 0.439 812 A N 1.282 124.148 122.820 0.076 0.000 1.978 812 A HA -0.147 4.173 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 1.952 54.012 52.037 0.038 0.000 0.636 812 A CB -0.529 18.477 19.000 0.010 0.000 0.810 812 A HN 0.395 nan 8.150 nan 0.000 0.448 813 A N -2.067 120.736 122.820 -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 -0.071 0.000 0.805 813 A HN 1.913 nan 8.150 nan 0.000 0.460 814 G N -1.862 106.800 108.800 -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 45.436 45.100 -0.558 0.000 0.662 814 G HN 0.722 nan 8.290 nan 0.000 0.527 815 H N -1.237 117.783 119.070 -0.082 0.000 2.353 815 H HA -0.133 4.423 4.556 -0.000 0.000 0.298 815 H C 2.191 177.478 175.328 -0.070 0.000 1.103 815 H CA 1.672 57.678 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 0.798 121.213 120.300 0.193 0.000 2.571 816 Y HA -0.124 4.426 4.550 -0.000 0.000 0.294 816 Y C 1.643 177.621 175.900 0.131 0.000 1.141 816 Y CA 0.801 58.978 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 -0.271 175.904 176.000 0.291 0.000 0.828 817 Q CA -0.363 55.595 55.803 0.257 0.000 1.089 817 Q CB 0.308 29.190 28.738 0.240 0.000 1.232 817 Q HN 0.110 nan 8.270 nan 0.000 0.445 818 A N 1.102 124.103 122.820 0.301 0.000 2.351 818 A HA 0.386 4.706 4.320 -0.000 0.000 0.257 818 A C -0.098 177.735 177.584 0.414 0.000 1.087 818 A CA -0.179 52.075 52.037 0.362 0.000 0.798 818 A CB 0.522 19.724 19.000 0.336 0.000 1.033 818 A HN 0.308 nan 8.150 nan 0.000 0.488 819 E N 0.615 120.998 120.200 0.306 0.000 2.133 819 E HA 0.481 4.831 4.350 -0.000 0.000 0.274 819 E C -0.069 176.514 176.600 -0.029 0.000 0.930 819 E CA -0.216 56.289 56.400 0.175 0.000 0.770 819 E CB 1.712 31.481 29.700 0.115 0.000 1.104 819 E HN 0.730 nan 8.360 nan 0.000 0.403 820 A N 2.366 125.047 122.820 -0.231 0.000 2.407 820 A HA 0.600 4.920 4.320 -0.000 0.000 0.248 820 A C -0.230 177.182 177.584 -0.288 0.000 1.082 820 A CA -0.061 51.534 52.037 -0.737 0.000 0.785 820 A CB 0.529 19.099 19.000 -0.716 0.000 1.020 820 A HN 0.553 nan 8.150 nan 0.000 0.489 821 A N 2.070 124.716 122.820 -0.290 0.000 2.375 821 A HA 0.553 4.873 4.320 -0.000 0.000 0.295 821 A C -0.697 176.782 177.584 -0.175 0.000 1.066 821 A CA -0.566 51.385 52.037 -0.144 0.000 0.722 821 A CB 0.725 19.667 19.000 -0.097 0.000 1.206 821 A HN 1.069 nan 8.150 nan 0.000 0.435 822 L N 3.341 124.440 121.223 -0.206 0.000 2.462 822 L HA 0.206 4.546 4.340 -0.000 0.000 0.272 822 L C 0.626 177.349 176.870 -0.246 0.000 1.166 822 L CA 0.070 54.679 54.840 -0.385 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 3.640 124.710 121.223 -0.255 0.000 2.425 823 L HA 0.199 4.539 4.340 -0.000 0.000 0.215 823 L C 0.448 177.250 176.870 -0.113 0.000 1.065 823 L CA 0.191 54.954 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 -0.582 119.121 119.800 -0.161 0.000 2.617 824 Q HA 0.289 4.629 4.340 -0.000 0.000 0.270 824 Q C -1.846 174.095 176.000 -0.098 0.000 0.967 824 Q CA -0.756 54.989 55.803 -0.096 0.000 0.887 824 Q CB 2.284 30.997 28.738 -0.041 0.000 1.516 824 Q HN 0.019 nan 8.270 nan 0.000 0.395 825 C N 2.782 122.062 119.300 -0.033 0.000 2.705 825 C HA 0.886 5.346 4.460 -0.000 0.000 0.369 825 C C -1.062 173.997 174.990 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 2.822 117.414 114.554 0.063 0.000 2.896 826 T HA 0.894 5.244 4.350 -0.000 0.000 0.297 826 T C -0.536 174.033 174.700 -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 70.683 68.868 -0.026 0.000 1.159 826 T HN 2.019 nan 8.240 nan 0.000 0.499 827 A N 1.605 124.166 122.820 -0.431 0.000 2.401 827 A HA 0.839 5.159 4.320 -0.000 0.000 0.310 827 A C -1.208 176.162 177.584 -0.358 0.000 1.075 827 A CA -0.639 51.035 52.037 -0.606 0.000 0.746 827 A CB 1.437 19.672 19.000 -1.274 0.000 1.277 827 A HN 0.893 nan 8.150 nan 0.000 0.425 828 D N 0.199 120.433 120.400 -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 1.847 116.345 114.554 -0.093 0.000 2.758 829 T HA 0.487 4.837 4.350 -0.000 0.000 0.285 829 T C 0.111 174.784 174.700 -0.044 0.000 0.981 829 T CA -0.512 61.550 62.100 -0.063 0.000 0.965 829 T CB 0.894 69.740 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 0.668 5.008 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 0.129 42.170 42.059 -0.029 0.000 1.290 830 L HN 0.694 nan 8.230 nan 0.000 0.462 831 A N -0.278 122.536 122.820 -0.011 0.000 2.019 831 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 831 A C 0.863 178.447 177.584 -0.001 0.000 1.164 831 A CA 1.944 53.979 52.037 -0.004 0.000 0.644 831 A CB -0.692 18.307 19.000 -0.001 0.000 0.805 831 A HN 0.857 nan 8.150 nan 0.000 0.449 832 D N -2.573 117.825 120.400 -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 -0.430 122.377 122.820 -0.022 0.000 2.467 833 A HA 0.636 4.956 4.320 -0.000 0.000 0.301 833 A C -1.774 175.775 177.584 -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 19.711 19.000 -0.046 0.000 1.331 833 A HN -0.013 nan 8.150 nan 0.000 0.482 834 V N 0.276 120.136 119.914 -0.089 0.000 2.581 834 V HA 0.695 4.815 4.120 -0.000 0.000 0.303 834 V C -0.922 175.092 176.094 -0.134 0.000 1.041 834 V CA -0.481 61.748 62.300 -0.117 0.000 0.907 834 V CB 1.369 33.110 31.823 -0.137 0.000 0.994 834 V HN 0.829 nan 8.190 nan 0.000 0.442 835 L N 5.702 126.838 121.223 -0.146 0.000 2.356 835 L HA 0.681 5.021 4.340 -0.000 0.000 0.277 835 L C -0.968 175.788 176.870 -0.191 0.000 0.996 835 L CA -0.085 54.677 54.840 -0.131 0.000 0.822 835 L CB 1.475 43.480 42.059 -0.090 0.000 1.256 835 L HN 0.407 nan 8.230 nan 0.000 0.413 836 I N 3.454 123.919 120.570 -0.174 0.000 2.474 836 I HA 0.594 4.764 4.170 -0.000 0.000 0.294 836 I C 0.145 176.249 176.117 -0.021 0.000 1.005 836 I CA -0.417 60.745 61.300 -0.229 0.000 1.113 836 I CB 1.785 39.457 38.000 -0.546 0.000 1.289 836 I HN 0.705 nan 8.210 nan 0.000 0.436 837 T N 1.933 116.473 114.554 -0.023 0.000 2.886 837 T HA 0.851 5.200 4.350 -0.000 0.000 0.292 837 T C -0.364 174.389 174.700 0.089 0.000 1.012 837 T CA -0.462 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 -0.452 114.197 114.554 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 61.358 62.100 0.136 0.000 1.009 838 T CB 1.648 70.697 68.868 0.302 0.000 1.203 838 T HN 1.619 nan 8.240 nan 0.000 0.518 839 A N 1.319 124.153 122.820 0.024 0.000 2.480 839 A HA 0.712 5.032 4.320 -0.000 0.000 0.289 839 A C -1.484 176.059 177.584 -0.069 0.000 1.044 839 A CA -0.769 51.324 52.037 0.093 0.000 0.761 839 A CB 0.669 19.698 19.000 0.049 0.000 1.289 839 A HN 0.978 nan 8.150 nan 0.000 0.401 840 H N 0.258 119.387 119.070 0.100 0.000 2.834 840 H HA 0.877 5.433 4.556 -0.000 0.000 0.369 840 H C -0.001 175.345 175.328 0.030 0.000 1.174 840 H CA 0.109 56.125 56.048 -0.053 0.000 1.165 840 H CB 2.104 31.709 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 -0.013 0.000 2.398 841 A HA 0.416 4.736 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 0.135 0.000 0.711 841 A CB 1.178 20.234 19.000 0.093 0.000 1.240 841 A HN 0.549 nan 8.150 nan 0.000 0.420 842 W N 2.093 123.476 121.300 0.138 0.000 2.361 842 W HA 0.451 5.111 4.660 -0.000 0.000 0.309 842 W C -0.218 176.273 176.519 -0.047 0.000 1.122 842 W CA -0.174 57.225 57.345 0.089 0.000 1.208 842 W CB 1.587 31.125 29.460 0.129 0.000 1.246 842 W HN 0.768 nan 8.180 nan 0.000 0.490 843 Q N 1.381 121.284 119.800 0.172 0.000 2.496 843 Q HA 0.466 4.806 4.340 -0.000 0.000 0.286 843 Q C -0.926 175.188 176.000 0.190 0.000 1.103 843 Q CA -0.943 54.927 55.803 0.112 0.000 0.813 843 Q CB 3.516 32.291 28.738 0.062 0.000 1.444 843 Q HN 0.389 nan 8.270 nan 0.000 0.443 844 H N 1.036 120.123 119.070 0.027 0.000 3.179 844 H HA 0.066 4.622 4.556 -0.000 0.000 0.331 844 H C -1.072 174.278 175.328 0.037 0.000 1.013 844 H CA -0.066 56.011 56.048 0.048 0.000 1.430 844 H CB 1.034 30.833 29.762 0.062 0.000 1.895 844 H HN 0.863 nan 8.280 nan 0.000 0.468 845 Q N 3.301 122.873 119.800 -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 1.172 56.823 55.803 -0.254 0.000 0.854 845 Q CB -1.443 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 -0.388 3.572 3.960 -0.000 0.000 0.260 846 G HA3 -0.388 3.572 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 1.097 121.514 120.400 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 -0.110 56.197 56.287 0.032 0.000 0.893 847 K CB 0.908 33.436 32.500 0.047 0.000 1.066 847 K HN 0.009 nan 8.250 nan 0.000 0.450 848 T N 5.515 120.071 114.554 0.003 0.000 2.733 848 T HA 0.237 4.587 4.350 -0.000 0.000 0.294 848 T C 1.106 175.744 174.700 -0.104 0.000 0.956 848 T CA -0.592 61.499 62.100 -0.014 0.000 0.987 848 T CB 0.529 69.411 68.868 0.024 0.000 0.920 848 T HN 0.521 nan 8.240 nan 0.000 0.470 849 L N 2.040 123.085 121.223 -0.297 0.000 2.084 849 L HA 0.335 4.675 4.340 -0.000 0.000 0.202 849 L C 0.086 176.508 176.870 -0.747 0.000 1.074 849 L CA 0.988 55.387 54.840 -0.734 0.000 0.757 849 L CB -0.109 41.028 42.059 -1.537 0.000 0.918 849 L HN 0.516 nan 8.230 nan 0.000 0.444 850 F N -1.035 118.871 119.950 -0.074 0.000 2.629 850 F HA 0.616 5.143 4.527 -0.000 0.000 0.316 850 F C -0.381 175.535 175.800 0.193 0.000 1.081 850 F CA -0.922 57.007 58.000 -0.119 0.000 0.954 850 F CB 2.162 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 1.391 122.216 120.570 0.425 0.000 2.499 851 I HA 0.317 4.487 4.170 -0.000 0.000 0.288 851 I C -1.011 175.385 176.117 0.464 0.000 1.048 851 I CA -0.504 61.061 61.300 0.441 0.000 1.062 851 I CB 2.209 40.377 38.000 0.280 0.000 1.238 851 I HN 0.545 nan 8.210 nan 0.000 0.426 852 S N 6.967 123.039 115.700 0.621 0.000 2.552 852 S HA 0.576 5.046 4.470 -0.000 0.000 0.314 852 S C -0.728 174.128 174.600 0.427 0.000 1.099 852 S CA -0.659 57.870 58.200 0.547 0.000 1.070 852 S CB 0.754 64.390 63.200 0.727 0.000 0.998 852 S HN 0.576 nan 8.310 nan 0.000 0.474 853 R N 3.617 124.289 120.500 0.286 0.000 2.393 853 R HA 0.536 4.876 4.340 -0.000 0.000 0.315 853 R C -0.700 175.679 176.300 0.132 0.000 0.952 853 R CA -0.737 55.489 56.100 0.210 0.000 0.842 853 R CB 1.842 32.240 30.300 0.162 0.000 1.163 853 R HN 0.564 nan 8.270 nan 0.000 0.450 854 K N 0.635 121.106 120.400 0.119 0.000 2.395 854 K HA 0.540 4.860 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 2.356 34.766 32.500 -0.149 0.000 1.311 854 K HN 0.591 nan 8.250 nan 0.000 0.452 855 T N -1.366 113.087 114.554 -0.167 0.000 2.952 855 T HA 0.526 4.876 4.350 -0.000 0.000 0.305 855 T C -1.486 173.118 174.700 -0.160 0.000 1.064 855 T CA -0.778 61.280 62.100 -0.069 0.000 1.008 855 T CB 0.398 69.255 68.868 -0.019 0.000 1.078 855 T HN 0.407 nan 8.240 nan 0.000 0.459 856 Y N 1.469 121.754 120.300 -0.026 0.000 2.350 856 Y HA 0.707 5.257 4.550 -0.000 0.000 0.338 856 Y C 0.432 176.282 175.900 -0.084 0.000 0.961 856 Y CA -1.140 56.953 58.100 -0.012 0.000 1.100 856 Y CB 1.933 40.420 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 -2.031 174.232 176.300 -0.062 0.000 0.987 857 R CA -0.349 55.743 56.100 -0.013 0.000 0.881 857 R CB 0.739 31.033 30.300 -0.009 0.000 1.177 857 R HN 0.813 nan 8.270 nan 0.000 0.451 858 I N 5.084 125.563 120.570 -0.152 0.000 2.339 858 I HA 0.237 4.407 4.170 -0.000 0.000 0.290 858 I C -0.280 175.738 176.117 -0.166 0.000 0.994 858 I CA -0.895 60.253 61.300 -0.254 0.000 1.191 858 I CB 1.490 39.175 38.000 -0.525 0.000 1.343 858 I HN 0.740 nan 8.210 nan 0.000 0.458 859 D N 4.368 124.703 120.400 -0.107 0.000 2.549 859 D HA 0.240 4.880 4.640 -0.000 0.000 0.270 859 D C 1.216 177.498 176.300 -0.029 0.000 1.181 859 D CA -0.703 53.266 54.000 -0.052 0.000 1.070 859 D CB 0.779 41.567 40.800 -0.021 0.000 1.154 859 D HN 0.496 nan 8.370 nan 0.000 0.602 860 G N -1.447 107.349 108.800 -0.007 0.000 2.679 860 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.212 860 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.212 860 G C 1.125 176.030 174.900 0.008 0.000 1.137 860 G CA 0.877 45.982 45.100 0.009 0.000 0.787 860 G HN 0.524 nan 8.290 nan 0.000 0.534 861 S N -1.005 114.700 115.700 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 0.012 0.000 0.912 861 S CB 0.046 63.251 63.200 0.009 0.000 0.776 861 S HN 1.395 nan 8.310 nan 0.000 0.526 862 G N 0.817 109.664 108.800 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 0.022 45.231 45.100 0.182 0.000 0.676 862 G HN 0.634 nan 8.290 nan 0.000 0.522 863 Q N -0.581 119.263 119.800 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 1.890 121.540 119.600 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 1.179 33.819 32.600 0.067 0.000 1.551 864 M HN 0.783 nan 8.290 nan 0.000 0.427 865 A N 6.916 129.801 122.820 0.108 0.000 2.276 865 A HA 0.760 5.080 4.320 -0.000 0.000 0.316 865 A C -0.832 176.799 177.584 0.078 0.000 1.229 865 A CA -0.665 51.436 52.037 0.106 0.000 0.851 865 A CB 0.482 19.524 19.000 0.071 0.000 1.165 865 A HN 0.904 nan 8.150 nan 0.000 0.513 866 I N 1.403 122.004 120.570 0.051 0.000 2.530 866 I HA 0.472 4.642 4.170 -0.000 0.000 0.297 866 I C -0.143 175.874 176.117 -0.166 0.000 1.011 866 I CA -0.378 60.865 61.300 -0.095 0.000 1.107 866 I CB 2.403 40.366 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 -0.262 0.000 0.975 867 T CB 1.861 70.670 68.868 -0.098 0.000 0.981 867 T HN 0.245 nan 8.240 nan 0.000 0.439 868 V N 4.185 123.765 119.914 -0.558 0.000 2.588 868 V HA 0.571 4.691 4.120 -0.000 0.000 0.304 868 V C -0.783 175.145 176.094 -0.277 0.000 1.042 868 V CA -0.909 61.090 62.300 -0.501 0.000 0.877 868 V CB 2.083 33.340 31.823 -0.944 0.000 0.996 868 V HN 0.844 nan 8.190 nan 0.000 0.425 869 D N 3.352 123.760 120.400 0.013 0.000 2.696 869 D HA 0.536 5.176 4.640 -0.000 0.000 0.251 869 D C -1.090 175.347 176.300 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 1.806 121.895 119.914 0.292 0.000 2.715 870 V HA 0.376 4.496 4.120 -0.000 0.000 0.310 870 V C 0.027 176.279 176.094 0.264 0.000 1.054 870 V CA -0.736 61.742 62.300 0.295 0.000 0.928 870 V CB 2.632 34.649 31.823 0.324 0.000 1.007 870 V HN 0.393 nan 8.190 nan 0.000 0.437 871 E N 1.752 122.095 120.200 0.238 0.000 2.210 871 E HA 0.651 5.001 4.350 -0.000 0.000 0.266 871 E C -1.651 175.082 176.600 0.221 0.000 0.883 871 E CA -0.563 55.958 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 0.028 176.237 176.094 0.191 0.000 1.028 872 V CA -0.911 61.542 62.300 0.255 0.000 0.860 872 V CB 1.559 33.541 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 1.631 179.303 177.584 0.147 0.000 1.063 873 A CA 0.666 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 1.381 nan 8.150 nan 0.000 0.503 874 S N 1.306 117.082 115.700 0.127 0.000 2.442 874 S HA -0.149 4.321 4.470 -0.000 0.000 0.236 874 S C 0.885 175.571 174.600 0.144 0.000 1.007 874 S CA 1.343 59.632 58.200 0.147 0.000 0.965 874 S CB -0.268 62.995 63.200 0.105 0.000 0.773 874 S HN 0.817 nan 8.310 nan 0.000 0.504 875 D N 0.457 120.920 120.400 0.106 0.000 2.342 875 D HA 0.141 4.781 4.640 -0.000 0.000 0.221 875 D C 0.524 176.875 176.300 0.086 0.000 1.101 875 D CA -0.012 54.037 54.000 0.081 0.000 0.837 875 D CB -0.264 40.567 40.800 0.052 0.000 0.938 875 D HN 0.332 nan 8.370 nan 0.000 0.508 876 T N 0.619 115.255 114.554 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 -0.598 176.991 177.300 0.481 0.000 1.216 877 P CA -0.217 62.983 63.100 0.166 0.000 0.771 877 P CB 0.112 31.893 31.700 0.134 0.000 0.864 878 H N 3.077 122.487 119.070 0.566 0.000 3.034 878 H HA 0.074 4.630 4.556 -0.000 0.000 0.324 878 H C -1.901 173.762 175.328 0.558 0.000 1.015 878 H CA -1.635 54.691 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 0.452 177.669 177.300 -0.138 0.000 1.228 879 P CA -0.299 62.861 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 3.481 125.994 122.820 -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 1.571 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 -3.014 117.159 120.500 -0.545 0.000 2.752 881 R HA 0.689 5.029 4.340 -0.000 0.000 0.277 881 R C -1.893 174.171 176.300 -0.394 0.000 1.024 881 R CA -0.825 54.972 56.100 -0.504 0.000 0.866 881 R CB 0.538 30.485 30.300 -0.587 0.000 1.278 881 R HN 0.035 nan 8.270 nan 0.000 0.473 882 I N 1.162 121.531 120.570 -0.334 0.000 2.540 882 I HA 0.640 4.810 4.170 -0.000 0.000 0.280 882 I C -0.444 175.433 176.117 -0.401 0.000 1.083 882 I CA -0.443 60.662 61.300 -0.326 0.000 1.080 882 I CB 1.727 39.615 38.000 -0.186 0.000 1.205 882 I HN 1.009 nan 8.210 nan 0.000 0.459 883 G N 5.928 114.451 108.800 -0.463 0.000 2.578 883 G HA2 0.725 4.685 3.960 -0.000 0.000 0.302 883 G HA3 0.725 4.685 3.960 -0.000 0.000 0.302 883 G C -1.768 172.957 174.900 -0.292 0.000 1.243 883 G CA -0.525 44.358 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 0.681 5.021 4.340 -0.000 0.000 0.258 884 L C -0.846 175.919 176.870 -0.175 0.000 1.024 884 L CA -1.139 53.600 54.840 -0.168 0.000 0.825 884 L CB 2.638 44.663 42.059 -0.058 0.000 1.386 884 L HN 0.875 nan 8.230 nan 0.000 0.417 885 N N 0.226 118.852 118.700 -0.124 0.000 2.927 885 N HA 0.688 5.428 4.740 -0.000 0.000 0.248 885 N C -1.275 174.244 175.510 0.015 0.000 1.443 885 N CA -0.552 52.460 53.050 -0.064 0.000 0.870 885 N CB 2.168 40.634 38.487 -0.036 0.000 1.444 885 N HN 0.884 nan 8.380 nan 0.000 0.519 886 C N -1.924 117.423 119.300 0.079 0.000 3.253 886 C HA 0.566 5.026 4.460 -0.000 0.000 0.342 886 C C -1.377 173.532 174.990 -0.135 0.000 1.306 886 C CA -0.860 58.178 59.018 0.033 0.000 1.207 886 C CB 0.937 28.681 27.740 0.008 0.000 1.479 886 C HN 0.880 nan 8.230 nan 0.000 0.469 887 Q N 1.363 120.872 119.800 -0.484 0.000 2.372 887 Q HA 0.639 4.979 4.340 -0.000 0.000 0.259 887 Q C -1.008 174.716 176.000 -0.460 0.000 0.993 887 Q CA -0.423 54.825 55.803 -0.925 0.000 0.854 887 Q CB 0.822 28.635 28.738 -1.542 0.000 1.231 887 Q HN 0.756 nan 8.270 nan 0.000 0.462 888 L N 2.742 123.778 121.223 -0.310 0.000 2.397 888 L HA 0.257 4.597 4.340 -0.000 0.000 0.271 888 L C 1.201 177.984 176.870 -0.146 0.000 1.148 888 L CA -0.236 54.527 54.840 -0.129 0.000 0.825 888 L CB 0.960 43.038 42.059 0.032 0.000 1.117 888 L HN 0.819 nan 8.230 nan 0.000 0.456 889 A N 2.545 125.300 122.820 -0.109 0.000 1.969 889 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 889 A C 1.133 178.680 177.584 -0.061 0.000 1.169 889 A CA 0.759 52.730 52.037 -0.109 0.000 0.635 889 A CB -0.263 18.668 19.000 -0.115 0.000 0.810 889 A HN 0.817 nan 8.150 nan 0.000 0.445 890 Q N -0.598 119.196 119.800 -0.011 0.000 2.382 890 Q HA 0.464 4.804 4.340 -0.000 0.000 0.229 890 Q C -1.128 174.881 176.000 0.016 0.000 1.006 890 Q CA 0.097 55.892 55.803 -0.014 0.000 0.916 890 Q CB 0.936 29.670 28.738 -0.007 0.000 1.235 890 Q HN 0.141 nan 8.270 nan 0.000 0.512 891 V N 2.096 121.987 119.914 -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 3.279 126.008 122.820 -0.152 0.000 2.347 892 A HA 0.883 5.203 4.320 -0.000 0.000 0.301 892 A C 0.632 178.258 177.584 0.071 0.000 1.163 892 A CA -0.302 51.629 52.037 -0.176 0.000 0.860 892 A CB 1.496 20.193 19.000 -0.505 0.000 1.367 892 A HN 0.734 nan 8.150 nan 0.000 0.461 893 E N -0.294 119.934 120.200 0.047 0.000 2.060 893 E HA 0.069 4.419 4.350 -0.000 0.000 0.189 893 E C 0.613 177.299 176.600 0.143 0.000 0.974 893 E CA 1.021 57.472 56.400 0.086 0.000 0.808 893 E CB 0.141 29.868 29.700 0.046 0.000 0.768 893 E HN 0.527 nan 8.360 nan 0.000 0.453 894 R N -0.576 120.020 120.500 0.159 0.000 2.856 894 R HA 0.602 4.942 4.340 -0.000 0.000 0.258 894 R C -1.091 175.396 176.300 0.312 0.000 1.066 894 R CA -0.923 55.297 56.100 0.200 0.000 1.045 894 R CB 2.141 32.527 30.300 0.143 0.000 1.178 894 R HN -0.134 nan 8.270 nan 0.000 0.499 895 V N 1.552 121.654 119.914 0.312 0.000 2.623 895 V HA 0.332 4.452 4.120 -0.000 0.000 0.304 895 V C -0.651 175.711 176.094 0.447 0.000 1.054 895 V CA -0.948 61.575 62.300 0.371 0.000 0.882 895 V CB 1.912 33.907 31.823 0.287 0.000 1.002 895 V HN 0.718 nan 8.190 nan 0.000 0.424 896 N N 4.071 123.025 118.700 0.423 0.000 2.352 896 N HA 0.549 5.289 4.740 -0.000 0.000 0.291 896 N C -1.468 174.312 175.510 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 3.911 125.147 121.223 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 0.394 55.081 54.840 -0.256 0.000 0.859 898 L CB 0.757 42.719 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 -1.587 173.465 174.900 0.255 0.000 1.226 899 G CA -1.011 44.175 45.100 0.143 0.000 0.913 899 G HN 0.370 nan 8.290 nan 0.000 0.483 900 L N 1.522 122.974 121.223 0.381 0.000 2.361 900 L HA 0.582 4.922 4.340 -0.000 0.000 0.278 900 L C 0.967 177.904 176.870 0.112 0.000 1.113 900 L CA 0.511 55.494 54.840 0.239 0.000 0.849 900 L CB 0.442 42.573 42.059 0.120 0.000 1.155 900 L HN 0.976 nan 8.230 nan 0.000 0.452 901 G N 3.560 112.162 108.800 -0.330 0.000 2.606 901 G HA2 0.471 4.431 3.960 -0.000 0.000 0.300 901 G HA3 0.471 4.431 3.960 -0.000 0.000 0.300 901 G C -2.750 171.286 174.900 -1.441 0.000 1.360 901 G CA -0.375 44.056 45.100 -1.113 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 0.208 177.302 177.300 -0.343 0.000 1.211 902 P CA 0.303 62.806 63.100 -0.995 0.000 0.824 902 P CB 0.615 31.885 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 0.335 176.209 176.000 -0.210 0.000 1.003 903 Q CA -0.526 55.153 55.803 -0.205 0.000 0.936 903 Q CB 0.787 29.432 28.738 -0.155 0.000 1.204 903 Q HN 0.175 nan 8.270 nan 0.000 0.524 904 E N 1.391 121.477 120.200 -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 56.642 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 2.775 121.303 118.700 -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 -0.404 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 -0.186 120.025 120.300 -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 -2.061 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 0.438 177.676 177.300 -0.102 0.000 1.157 907 P CA 2.210 65.358 63.100 0.080 0.000 0.880 907 P CB 0.182 32.014 31.700 0.221 0.000 0.791 908 D N -2.106 118.036 120.400 -0.431 0.000 2.358 908 D HA 0.007 4.647 4.640 -0.000 0.000 0.224 908 D C 0.554 176.714 176.300 -0.233 0.000 1.123 908 D CA 0.033 53.575 54.000 -0.764 0.000 0.833 908 D CB -0.247 39.766 40.800 -1.313 0.000 0.946 908 D HN 0.139 nan 8.370 nan 0.000 0.505 909 R N 1.018 121.480 120.500 -0.064 0.000 2.928 909 R HA 0.212 4.552 4.340 -0.000 0.000 0.248 909 R C -0.761 175.574 176.300 0.058 0.000 1.796 909 R CA -0.218 55.899 56.100 0.029 0.000 1.477 909 R CB 0.082 30.401 30.300 0.031 0.000 1.484 909 R HN 0.117 nan 8.270 nan 0.000 0.623 910 L N -0.901 120.367 121.223 0.074 0.000 3.664 910 L HA 0.289 4.629 4.340 -0.000 0.000 0.341 910 L C 1.238 178.171 176.870 0.105 0.000 1.247 910 L CA 0.227 55.108 54.840 0.068 0.000 1.133 910 L CB 0.112 42.194 42.059 0.038 0.000 1.498 910 L HN 0.161 nan 8.230 nan 0.000 0.628 911 T N -2.374 112.270 114.554 0.150 0.000 2.881 911 T HA 0.000 4.350 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 1.393 63.608 62.100 0.192 0.000 1.131 911 T CB -0.295 68.728 68.868 0.257 0.000 0.871 911 T HN 0.431 nan 8.240 nan 0.000 0.479 912 A N 1.282 124.208 122.820 0.176 0.000 2.119 912 A HA 0.676 4.996 4.320 -0.000 0.000 0.216 912 A C 1.686 179.368 177.584 0.162 0.000 1.152 912 A CA 0.493 52.604 52.037 0.124 0.000 0.708 912 A CB -0.864 18.320 19.000 0.307 0.000 0.805 912 A HN 0.822 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 52.575 54.000 -1.251 0.000 0.930 916 D CB 2.204 42.221 40.800 -1.304 0.000 1.451 916 D HN 0.628 nan 8.370 nan 0.000 0.555 917 R N 0.524 120.176 120.500 -1.414 0.000 2.229 917 R HA 0.478 4.818 4.340 -0.000 0.000 0.332 917 R C -1.274 174.219 176.300 -1.345 0.000 0.989 917 R CA -0.413 55.011 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 2.785 123.525 121.300 -0.933 0.000 2.689 918 W HA 0.401 5.061 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 -0.639 56.101 57.345 -1.009 0.000 1.218 918 W CB 1.567 29.886 29.460 -1.902 0.000 1.410 918 W HN 0.337 nan 8.180 nan 0.000 0.528 919 D N 3.110 123.455 120.400 -0.091 0.000 2.686 919 D HA 0.519 5.159 4.640 -0.000 0.000 0.249 919 D C -1.275 175.122 176.300 0.162 0.000 1.260 919 D CA -0.121 53.925 54.000 0.078 0.000 0.910 919 D CB 1.210 42.022 40.800 0.020 0.000 1.323 919 D HN 0.393 nan 8.370 nan 0.000 0.561 920 L N 2.655 124.045 121.223 0.279 0.000 2.397 920 L HA 0.560 4.900 4.340 -0.000 0.000 0.251 920 L C -2.557 174.436 176.870 0.205 0.000 1.064 920 L CA -2.135 52.845 54.840 0.232 0.000 0.859 920 L CB 2.734 44.964 42.059 0.285 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 62.670 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 3.682 124.988 121.223 0.139 0.000 2.085 922 L HA -0.318 4.022 4.340 -0.000 0.000 0.218 922 L C 2.188 179.111 176.870 0.088 0.000 1.080 922 L CA 2.846 57.754 54.840 0.114 0.000 0.776 922 L CB -1.526 40.614 42.059 0.135 0.000 0.891 922 L HN 0.450 nan 8.230 nan 0.000 0.437 923 S N -1.814 113.940 115.700 0.090 0.000 2.400 923 S HA -0.192 4.278 4.470 -0.000 0.000 0.232 923 S C 1.624 176.294 174.600 0.117 0.000 1.025 923 S CA 1.243 59.505 58.200 0.103 0.000 0.993 923 S CB -0.774 62.476 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 0.086 0.000 2.348 924 D HA 0.083 4.723 4.640 -0.000 0.000 0.216 924 D C 1.192 177.508 176.300 0.027 0.000 0.970 924 D CA 0.605 54.638 54.000 0.055 0.000 0.889 924 D CB -0.184 40.653 40.800 0.062 0.000 0.912 924 D HN 0.415 nan 8.370 nan 0.000 0.524 925 M N -0.231 119.395 119.600 0.043 0.000 2.581 925 M HA 0.081 4.561 4.480 -0.000 0.000 0.224 925 M C -0.157 176.162 176.300 0.031 0.000 1.171 925 M CA -0.021 55.263 55.300 -0.027 0.000 0.993 925 M CB -0.964 31.600 32.600 -0.060 0.000 1.685 925 M HN -0.053 nan 8.290 nan 0.000 0.479 926 Y N -0.157 120.098 120.300 -0.075 0.000 2.425 926 Y HA 0.484 5.034 4.550 -0.000 0.000 0.344 926 Y C -0.855 174.965 175.900 -0.134 0.000 0.969 926 Y CA -0.803 57.254 58.100 -0.070 0.000 1.052 926 Y CB 1.531 40.003 38.460 0.020 0.000 1.215 926 Y HN -0.077 nan 8.280 nan 0.000 0.451 927 T N 8.634 122.644 114.554 -0.908 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 -1.406 0.000 1.082 927 T CA -1.494 59.982 62.100 -1.041 0.000 0.983 927 T CB 0.962 69.331 68.868 -0.831 0.000 1.005 927 T HN 0.448 nan 8.240 nan 0.000 0.475 928 P HA 0.038 nan 4.420 nan 0.000 0.246 928 P C -0.564 176.559 177.300 -0.295 0.000 1.675 928 P CA -0.300 62.359 63.100 -0.735 0.000 0.908 928 P CB -0.897 30.526 31.700 -0.462 0.000 1.890 929 Y N -0.431 119.753 120.300 -0.194 0.000 2.632 929 Y HA -0.090 4.460 4.550 -0.000 0.000 0.329 929 Y C 2.272 178.188 175.900 0.026 0.000 1.174 929 Y CA -0.496 57.566 58.100 -0.063 0.000 1.469 929 Y CB 0.493 38.868 38.460 -0.141 0.000 1.242 929 Y HN -0.126 nan 8.280 nan 0.000 0.540 930 V N 4.314 124.416 119.914 0.315 0.000 2.250 930 V HA -0.337 3.783 4.120 -0.000 0.000 0.250 930 V C 0.627 176.873 176.094 0.253 0.000 1.060 930 V CA 1.679 64.147 62.300 0.280 0.000 1.030 930 V CB -0.512 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 3.399 123.384 119.950 0.059 0.000 2.391 931 F HA 0.512 5.039 4.527 -0.000 0.000 0.359 931 F C -2.325 173.472 175.800 -0.005 0.000 1.122 931 F CA -3.186 54.800 58.000 -0.023 0.000 1.120 931 F CB 0.962 39.837 39.000 -0.208 0.000 1.142 931 F HN -0.002 nan 8.300 nan 0.000 0.483 932 P HA 0.351 nan 4.420 nan 0.000 0.278 932 P C -1.228 175.767 177.300 -0.508 0.000 1.238 932 P CA -0.183 62.653 63.100 -0.440 0.000 0.794 932 P CB 1.663 33.168 31.700 -0.324 0.000 0.955 933 S N -0.353 115.240 115.700 -0.178 0.000 2.656 933 S HA 0.376 4.846 4.470 -0.000 0.000 0.265 933 S C -0.833 173.757 174.600 -0.016 0.000 1.132 933 S CA -0.933 57.213 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 0.384 nan 8.310 nan 0.000 0.476 934 E N 1.228 121.429 120.200 0.002 0.000 2.568 934 E HA 0.337 4.687 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 57.562 56.400 0.039 0.000 0.945 934 E CB -0.314 29.433 29.700 0.077 0.000 0.924 934 E HN 0.835 nan 8.360 nan 0.000 0.467 935 N N 1.175 119.949 118.700 0.123 0.000 3.261 935 N HA 0.466 5.206 4.740 -0.000 0.000 0.248 935 N C 0.255 175.810 175.510 0.075 0.000 1.498 935 N CA -0.654 52.509 53.050 0.188 0.000 0.884 935 N CB 0.508 39.088 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 -0.281 3.679 3.960 -0.000 0.000 0.267 936 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.267 936 G C -0.148 174.503 174.900 -0.414 0.000 0.975 936 G CA 0.566 45.559 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 0.490 4.830 4.340 -0.000 0.000 0.281 937 L C 0.733 177.032 176.870 -0.951 0.000 1.228 937 L CA 0.323 54.615 54.840 -0.912 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 -1.066 174.868 176.300 -0.611 0.000 0.984 938 R CA -0.618 54.977 56.100 -0.842 0.000 0.884 938 R CB 0.732 30.492 30.300 -0.901 0.000 1.182 938 R HN 0.618 nan 8.270 nan 0.000 0.442 939 C N -0.442 118.649 119.300 -0.348 0.000 2.380 939 C HA 0.716 5.176 4.460 -0.000 0.000 0.393 939 C C 1.362 176.328 174.990 -0.040 0.000 1.284 939 C CA 0.085 58.988 59.018 -0.193 0.000 2.033 939 C CB 0.963 28.617 27.740 -0.144 0.000 2.165 939 C HN 1.057 nan 8.230 nan 0.000 0.540 940 G N 1.693 110.483 108.800 -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 0.474 45.613 45.100 0.065 0.000 1.004 940 G HN 0.829 nan 8.290 nan 0.000 0.509 941 T N -0.509 113.975 114.554 -0.116 0.000 2.837 941 T HA 0.560 4.910 4.350 -0.000 0.000 0.285 941 T C 1.430 175.833 174.700 -0.495 0.000 0.984 941 T CA -0.528 61.445 62.100 -0.211 0.000 1.049 941 T CB 1.706 70.420 68.868 -0.257 0.000 0.947 941 T HN 0.332 nan 8.240 nan 0.000 0.472 942 R N 0.909 121.326 120.500 -0.138 0.000 2.287 942 R HA 0.254 4.594 4.340 -0.000 0.000 0.197 942 R C 0.449 176.801 176.300 0.086 0.000 0.900 942 R CA 0.149 56.237 56.100 -0.020 0.000 1.052 942 R CB 0.857 31.266 30.300 0.182 0.000 1.117 942 R HN 0.642 nan 8.270 nan 0.000 0.568 943 E N 1.054 121.323 120.200 0.115 0.000 2.304 943 E HA 0.287 4.637 4.350 -0.000 0.000 0.277 943 E C -1.989 174.767 176.600 0.260 0.000 0.898 943 E CA -0.631 55.905 56.400 0.226 0.000 0.764 943 E CB 1.766 31.567 29.700 0.167 0.000 1.216 943 E HN -0.113 nan 8.360 nan 0.000 0.419 944 L N 4.170 125.604 121.223 0.352 0.000 2.410 944 L HA 0.605 4.945 4.340 -0.000 0.000 0.270 944 L C -1.934 175.176 176.870 0.400 0.000 0.983 944 L CA -0.445 54.561 54.840 0.277 0.000 0.822 944 L CB 1.813 43.888 42.059 0.027 0.000 1.285 944 L HN 0.468 nan 8.230 nan 0.000 0.409 945 N N 4.472 123.368 118.700 0.328 0.000 2.346 945 N HA 0.415 5.155 4.740 -0.000 0.000 0.289 945 N C -2.001 173.762 175.510 0.421 0.000 1.027 945 N CA -0.215 53.034 53.050 0.331 0.000 0.864 945 N CB 2.033 40.647 38.487 0.211 0.000 1.370 945 N HN 0.603 nan 8.380 nan 0.000 0.481 946 Y N 1.373 121.853 120.300 0.301 0.000 2.330 946 Y HA 0.448 4.998 4.550 -0.000 0.000 0.324 946 Y C 0.578 176.619 175.900 0.235 0.000 1.093 946 Y CA 0.116 58.370 58.100 0.257 0.000 1.103 946 Y CB 0.617 39.253 38.460 0.293 0.000 1.183 946 Y HN 0.840 nan 8.280 nan 0.000 0.433 947 G N 6.492 115.208 108.800 -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 -0.102 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 0.514 177.574 177.300 -0.399 0.000 1.178 948 P CA 1.108 64.031 63.100 -0.295 0.000 0.766 948 P CB -0.111 31.340 31.700 -0.416 0.000 0.876 949 H N -0.363 118.662 119.070 -0.076 0.000 2.505 949 H HA 0.513 5.069 4.556 -0.000 0.000 0.351 949 H C 0.333 175.440 175.328 -0.369 0.000 1.151 949 H CA -0.126 55.760 56.048 -0.271 0.000 1.339 949 H CB 0.763 30.198 29.762 -0.545 0.000 1.483 949 H HN -0.058 nan 8.280 nan 0.000 0.558 950 Q N 2.109 121.641 119.800 -0.447 0.000 2.284 950 Q HA 0.250 4.590 4.340 -0.000 0.000 0.269 950 Q C -1.934 173.820 176.000 -0.411 0.000 1.026 950 Q CA -0.727 54.926 55.803 -0.250 0.000 0.831 950 Q CB 1.666 30.387 28.738 -0.029 0.000 1.322 950 Q HN 0.623 nan 8.270 nan 0.000 0.419 951 W N 3.612 124.915 121.300 0.004 0.000 2.736 951 W HA 0.649 5.309 4.660 -0.000 0.000 0.335 951 W C -0.290 176.326 176.519 0.163 0.000 1.059 951 W CA -0.909 56.408 57.345 -0.047 0.000 1.226 951 W CB 2.176 31.420 29.460 -0.360 0.000 1.416 951 W HN 0.524 nan 8.180 nan 0.000 0.505 952 R N 0.601 121.356 120.500 0.425 0.000 2.673 952 R HA 0.730 5.070 4.340 -0.000 0.000 0.281 952 R C 0.075 176.653 176.300 0.463 0.000 0.991 952 R CA -0.497 55.864 56.100 0.434 0.000 0.896 952 R CB 2.418 32.884 30.300 0.277 0.000 1.201 952 R HN 0.789 nan 8.270 nan 0.000 0.457 953 G N 0.915 110.013 108.800 0.496 0.000 2.534 953 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.142 953 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.142 953 G C -1.757 173.309 174.900 0.278 0.000 1.178 953 G CA -0.402 44.946 45.100 0.414 0.000 1.037 953 G HN 0.483 nan 8.290 nan 0.000 0.474 954 D N 0.439 121.025 120.400 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 0.816 41.669 40.800 0.088 0.000 1.261 954 D HN 0.455 nan 8.370 nan 0.000 0.544 955 F N 0.097 120.049 119.950 0.003 0.000 3.016 955 F HA 0.595 5.122 4.527 -0.000 0.000 0.324 955 F C -1.214 174.561 175.800 -0.043 0.000 1.196 955 F CA -1.021 56.922 58.000 -0.095 0.000 0.929 955 F CB 0.719 39.650 39.000 -0.115 0.000 1.440 955 F HN -0.134 nan 8.300 nan 0.000 0.505 956 Q N 1.360 121.263 119.800 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 -0.557 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 -1.276 118.559 119.950 -0.191 0.000 2.779 957 F HA 0.771 5.298 4.527 -0.000 0.000 0.316 957 F C -1.836 173.755 175.800 -0.348 0.000 1.164 957 F CA -1.037 56.813 58.000 -0.249 0.000 0.924 957 F CB 1.462 40.326 39.000 -0.226 0.000 1.348 957 F HN 0.642 nan 8.300 nan 0.000 0.467 958 N N 0.893 119.448 118.700 -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 40.839 38.487 -0.295 0.000 1.557 958 N HN 1.146 nan 8.380 nan 0.000 0.487 959 I N 0.371 120.901 120.570 -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 1.268 39.140 38.000 -0.212 0.000 1.272 959 I HN 1.058 nan 8.210 nan 0.000 0.425 960 S N 6.336 122.016 115.700 -0.034 0.000 2.755 960 S HA 0.553 5.023 4.470 -0.000 0.000 0.286 960 S C -0.323 174.241 174.600 -0.061 0.000 1.207 960 S CA -0.964 57.224 58.200 -0.019 0.000 0.892 960 S CB 1.626 64.894 63.200 0.113 0.000 1.240 960 S HN 0.623 nan 8.310 nan 0.000 0.525 961 R N -0.020 120.289 120.500 -0.318 0.000 2.507 961 R HA 0.290 4.630 4.340 -0.000 0.000 0.298 961 R C -1.103 174.864 176.300 -0.556 0.000 0.999 961 R CA 0.145 55.974 56.100 -0.453 0.000 1.082 961 R CB -0.488 29.409 30.300 -0.672 0.000 1.246 961 R HN 0.623 nan 8.270 nan 0.000 0.553 962 Y N 0.303 120.608 120.300 0.008 0.000 2.391 962 Y HA 0.234 4.784 4.550 -0.000 0.000 0.341 962 Y C 0.704 176.370 175.900 -0.390 0.000 0.965 962 Y CA -1.203 56.804 58.100 -0.154 0.000 1.067 962 Y CB 1.513 39.830 38.460 -0.238 0.000 1.199 962 Y HN -0.074 nan 8.280 nan 0.000 0.450 963 S N 1.755 117.121 115.700 -0.557 0.000 2.593 963 S HA 0.066 4.536 4.470 -0.000 0.000 0.269 963 S C 0.883 175.175 174.600 -0.513 0.000 1.334 963 S CA -0.636 56.900 58.200 -1.107 0.000 1.015 963 S CB 1.115 63.678 63.200 -1.063 0.000 0.912 963 S HN 0.760 nan 8.310 nan 0.000 0.541 964 Q N 0.731 120.233 119.800 -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 0.688 120.347 119.800 -0.236 0.000 2.096 965 Q HA -0.226 4.114 4.340 -0.000 0.000 0.204 965 Q C 2.150 178.071 176.000 -0.132 0.000 0.982 965 Q CA 1.436 57.150 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 0.388 nan 8.270 nan 0.000 0.422 966 Q N 0.115 119.820 119.800 -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 1.733 57.463 55.803 -0.122 0.000 0.843 966 Q CB -0.191 28.468 28.738 -0.131 0.000 0.904 966 Q HN 0.492 nan 8.270 nan 0.000 0.420 967 L N 0.112 121.238 121.223 -0.162 0.000 2.043 967 L HA -0.259 4.081 4.340 -0.000 0.000 0.212 967 L C 2.719 179.476 176.870 -0.189 0.000 1.075 967 L CA 1.440 56.169 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 -0.511 119.003 119.600 -0.143 0.000 2.229 968 M HA -0.178 4.302 4.480 -0.000 0.000 0.264 968 M C 1.728 177.964 176.300 -0.106 0.000 1.063 968 M CA 1.677 56.906 55.300 -0.120 0.000 1.114 968 M CB 0.098 32.636 32.600 -0.105 0.000 1.387 968 M HN 0.189 nan 8.290 nan 0.000 0.420 969 E N -0.654 119.489 120.200 -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 0.149 56.514 56.400 -0.057 0.000 0.874 969 E CB 0.435 30.113 29.700 -0.037 0.000 0.914 969 E HN 0.348 nan 8.360 nan 0.000 0.498 970 T N 0.253 114.748 114.554 -0.098 0.000 2.829 970 T HA 0.107 4.457 4.350 -0.000 0.000 0.282 970 T C 1.117 175.750 174.700 -0.111 0.000 0.990 970 T CA -0.403 61.644 62.100 -0.087 0.000 1.028 970 T CB 1.679 70.472 68.868 -0.124 0.000 0.951 970 T HN 0.033 nan 8.240 nan 0.000 0.460 971 S N 1.480 117.206 115.700 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 -0.769 55.391 56.048 0.186 0.000 1.180 972 H CB 1.495 31.460 29.762 0.339 0.000 1.678 972 H HN 0.123 nan 8.280 nan 0.000 0.537 973 R N 1.537 122.198 120.500 0.269 0.000 2.091 973 R HA -0.199 4.141 4.340 -0.000 0.000 0.238 973 R C 1.346 177.711 176.300 0.110 0.000 1.136 973 R CA 2.000 58.179 56.100 0.132 0.000 0.959 973 R CB -0.621 29.759 30.300 0.133 0.000 0.856 973 R HN 0.792 nan 8.270 nan 0.000 0.437 974 H N 1.679 120.776 119.070 0.044 0.000 2.518 974 H HA -0.030 4.526 4.556 -0.000 0.000 0.292 974 H C 1.433 176.708 175.328 -0.087 0.000 1.068 974 H CA 1.061 57.092 56.048 -0.028 0.000 1.275 974 H CB -0.250 29.486 29.762 -0.043 0.000 1.375 974 H HN 0.356 nan 8.280 nan 0.000 0.563 975 L N 0.829 121.756 121.223 -0.494 0.000 2.611 975 L HA 0.256 4.596 4.340 -0.000 0.000 0.229 975 L C 0.305 177.094 176.870 -0.135 0.000 1.137 975 L CA -0.147 54.457 54.840 -0.392 0.000 0.901 975 L CB 0.001 41.815 42.059 -0.409 0.000 1.098 975 L HN 0.022 nan 8.230 nan 0.000 0.456 976 L N 0.840 121.993 121.223 -0.116 0.000 2.375 976 L HA 0.317 4.657 4.340 -0.000 0.000 0.271 976 L C 0.186 177.108 176.870 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 1.359 120.512 119.070 0.138 0.000 2.600 977 H HA 0.654 5.210 4.556 -0.000 0.000 0.357 977 H C -0.763 174.629 175.328 0.105 0.000 1.106 977 H CA -1.179 54.934 56.048 0.108 0.000 1.193 977 H CB 1.375 31.150 29.762 0.022 0.000 1.594 977 H HN 0.713 nan 8.280 nan 0.000 0.526 978 A N 3.469 126.280 122.820 -0.015 0.000 2.531 978 A HA 0.098 4.418 4.320 -0.000 0.000 0.236 978 A C 0.330 177.854 177.584 -0.100 0.000 1.062 978 A CA -0.145 51.704 52.037 -0.314 0.000 0.760 978 A CB 0.064 18.908 19.000 -0.260 0.000 0.995 978 A HN 0.859 nan 8.150 nan 0.000 0.501 979 E N 0.576 120.679 120.200 -0.163 0.000 2.292 979 E HA 0.149 4.499 4.350 -0.000 0.000 0.258 979 E C 0.625 177.206 176.600 -0.031 0.000 1.115 979 E CA -0.705 55.708 56.400 0.022 0.000 0.929 979 E CB 0.724 30.529 29.700 0.174 0.000 1.161 979 E HN 0.822 nan 8.360 nan 0.000 0.453 980 E N 0.333 120.522 120.200 -0.018 0.000 2.065 980 E HA -0.224 4.126 4.350 -0.000 0.000 0.201 980 E C 0.938 177.467 176.600 -0.117 0.000 1.016 980 E CA 1.778 58.139 56.400 -0.066 0.000 0.818 980 E CB 0.001 29.664 29.700 -0.061 0.000 0.749 980 E HN 0.564 nan 8.360 nan 0.000 0.453 981 G N -1.460 107.219 108.800 -0.201 0.000 3.407 981 G HA2 0.264 4.224 3.960 -0.000 0.000 0.187 981 G HA3 0.264 4.224 3.960 -0.000 0.000 0.187 981 G C -0.692 174.099 174.900 -0.182 0.000 1.262 981 G CA -0.129 44.862 45.100 -0.181 0.000 0.808 981 G HN 0.110 nan 8.290 nan 0.000 0.687 982 T N 0.487 114.929 114.554 -0.186 0.000 2.812 982 T HA 0.377 4.727 4.350 -0.000 0.000 0.282 982 T C -1.486 173.065 174.700 -0.247 0.000 0.990 982 T CA -0.110 61.912 62.100 -0.131 0.000 0.960 982 T CB 1.493 70.394 68.868 0.055 0.000 0.948 982 T HN 0.321 nan 8.240 nan 0.000 0.438 983 W N 3.224 124.440 121.300 -0.139 0.000 2.316 983 W HA 0.607 5.267 4.660 -0.000 0.000 0.311 983 W C -0.331 176.075 176.519 -0.190 0.000 1.217 983 W CA -0.730 56.529 57.345 -0.142 0.000 1.199 983 W CB 0.828 30.213 29.460 -0.125 0.000 1.202 983 W HN 0.355 nan 8.180 nan 0.000 0.528 984 L N 5.621 126.906 121.223 0.102 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 42.919 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 -1.187 174.204 175.510 -0.197 0.000 0.995 985 N CA -0.284 52.671 53.050 -0.160 0.000 0.903 985 N CB 2.365 40.776 38.487 -0.126 0.000 1.218 985 N HN 0.541 nan 8.380 nan 0.000 0.487 986 I N 1.754 122.159 120.570 -0.275 0.000 2.382 986 I HA 0.235 4.405 4.170 -0.000 0.000 0.285 986 I C -0.639 175.314 176.117 -0.274 0.000 1.007 986 I CA -0.624 60.484 61.300 -0.320 0.000 1.142 986 I CB 1.469 39.131 38.000 -0.563 0.000 1.289 986 I HN 0.156 nan 8.210 nan 0.000 0.453 987 D N 4.530 124.805 120.400 -0.209 0.000 2.217 987 D HA 0.298 4.938 4.640 -0.000 0.000 0.243 987 D C 0.989 177.023 176.300 -0.442 0.000 1.054 987 D CA -0.198 53.625 54.000 -0.296 0.000 0.838 987 D CB 2.485 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 1.120 109.377 108.800 -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 -1.444 0.000 1.146 988 G CA 0.469 44.752 45.100 -1.361 0.000 0.793 988 G HN 0.387 nan 8.290 nan 0.000 0.537 989 F N -1.804 117.952 119.950 -0.323 0.000 2.641 989 F HA 0.529 5.056 4.527 -0.000 0.000 0.308 989 F C -0.729 174.986 175.800 -0.142 0.000 1.105 989 F CA -1.230 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 2.731 121.833 119.070 0.053 0.000 2.947 990 H HA 0.408 4.964 4.556 -0.000 0.000 0.354 990 H C -1.071 174.288 175.328 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 0.406 176.823 176.300 0.196 0.000 1.087 991 M CA 0.548 55.873 55.300 0.042 0.000 1.176 991 M CB 0.403 32.926 32.600 -0.128 0.000 1.439 991 M HN 0.684 nan 8.290 nan 0.000 0.452 992 G N 2.277 111.169 108.800 0.153 0.000 2.653 992 G HA2 0.358 4.318 3.960 -0.000 0.000 0.265 992 G HA3 0.358 4.318 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 -0.288 44.831 45.100 0.032 0.000 0.946 992 G HN 1.006 nan 8.290 nan 0.000 0.522 993 I N -2.590 117.904 120.570 -0.127 0.000 3.939 993 I HA 0.443 4.612 4.170 -0.000 0.000 0.313 993 I C 1.134 177.178 176.117 -0.121 0.000 1.274 993 I CA 0.520 61.716 61.300 -0.172 0.000 1.301 993 I CB -0.339 37.467 38.000 -0.323 0.000 1.105 993 I HN 0.957 nan 8.210 nan 0.000 0.427 994 G N 1.623 110.370 108.800 -0.089 0.000 2.645 994 G HA2 0.030 3.990 3.960 -0.000 0.000 0.239 994 G HA3 0.030 3.990 3.960 -0.000 0.000 0.239 994 G C 0.574 175.465 174.900 -0.015 0.000 1.331 994 G CA 0.140 45.228 45.100 -0.021 0.000 0.890 994 G HN 1.378 nan 8.290 nan 0.000 0.572 995 G N -2.400 106.409 108.800 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 0.914 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 0.948 177.274 176.300 0.043 0.000 0.997 996 D CA 2.178 56.292 54.000 0.190 0.000 0.863 996 D CB 0.092 41.015 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 -0.797 174.997 176.300 -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 40.535 40.800 -1.791 0.000 1.339 997 D HN -0.298 nan 8.370 nan 0.000 0.422 998 S N -0.301 114.718 115.700 -1.134 0.000 2.601 998 S HA 0.233 4.703 4.470 -0.000 0.000 0.244 998 S C -0.483 174.198 174.600 0.135 0.000 1.001 998 S CA -0.655 57.427 58.200 -0.198 0.000 0.984 998 S CB -0.524 62.834 63.200 0.264 0.000 0.842 998 S HN 0.610 nan 8.310 nan 0.000 0.474 999 W N 1.232 122.475 121.300 -0.096 0.000 2.252 999 W HA 0.578 5.238 4.660 -0.000 0.000 0.338 999 W C -0.042 176.432 176.519 -0.077 0.000 0.914 999 W CA -0.639 56.658 57.345 -0.080 0.000 1.754 999 W CB -0.550 28.800 29.460 -0.183 0.000 1.135 999 W HN 0.154 nan 8.180 nan 0.000 0.531 1000 S N -1.271 114.315 115.700 -0.190 0.000 2.588 1000 S HA 0.629 5.099 4.470 -0.000 0.000 0.269 1000 S C -3.213 171.320 174.600 -0.112 0.000 1.157 1000 S CA -1.559 56.563 58.200 -0.130 0.000 0.824 1000 S CB 1.639 64.764 63.200 -0.126 0.000 1.126 1000 S HN -0.207 nan 8.310 nan 0.000 0.464 1001 P HA 0.286 nan 4.420 nan 0.000 0.271 1001 P C 0.288 177.620 177.300 0.052 0.000 1.233 1001 P CA -0.219 62.894 63.100 0.021 0.000 0.764 1001 P CB 0.804 32.438 31.700 -0.109 0.000 0.825 1002 S N 0.775 116.533 115.700 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 57.933 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 0.771 177.023 176.094 0.262 0.000 1.045 1003 V CA -0.395 62.021 62.300 0.194 0.000 0.976 1003 V CB 0.690 32.589 31.823 0.126 0.000 0.993 1003 V HN 0.648 nan 8.190 nan 0.000 0.475 1004 S N 4.451 120.339 115.700 0.313 0.000 2.585 1004 S HA 0.414 4.884 4.470 -0.000 0.000 0.273 1004 S C 1.472 176.221 174.600 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 2.040 124.950 122.820 0.150 0.000 1.915 1005 A HA -0.235 4.085 4.320 -0.000 0.000 0.220 1005 A C 1.897 179.475 177.584 -0.009 0.000 1.198 1005 A CA 2.218 54.317 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 -0.904 119.195 120.200 -0.168 0.000 2.331 1006 E HA -0.138 4.212 4.350 -0.000 0.000 0.199 1006 E C 0.841 177.055 176.600 -0.642 0.000 1.008 1006 E CA 1.183 57.311 56.400 -0.453 0.000 0.843 1006 E CB -0.405 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 0.482 176.321 175.800 0.064 0.000 1.097 1007 F CA -0.410 57.638 58.000 0.079 0.000 1.294 1007 F CB 0.242 39.289 39.000 0.078 0.000 1.027 1007 F HN -0.167 nan 8.300 nan 0.000 0.550 1008 Q N 1.158 121.062 119.800 0.173 0.000 2.222 1008 Q HA 0.421 4.761 4.340 -0.000 0.000 0.252 1008 Q C -0.210 175.819 176.000 0.047 0.000 0.926 1008 Q CA -0.597 55.297 55.803 0.151 0.000 0.899 1008 Q CB 2.026 30.946 28.738 0.303 0.000 1.250 1008 Q HN 0.264 nan 8.270 nan 0.000 0.441 1009 L N 2.407 123.638 121.223 0.013 0.000 2.384 1009 L HA 0.090 4.430 4.340 -0.000 0.000 0.258 1009 L C 0.690 177.460 176.870 -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 41.533 42.059 -0.222 0.000 1.375 1009 L HN 0.716 nan 8.230 nan 0.000 0.420 1010 S N -1.087 114.455 115.700 -0.263 0.000 2.539 1010 S HA 0.139 4.609 4.470 -0.000 0.000 0.221 1010 S C 1.725 176.227 174.600 -0.162 0.000 0.987 1010 S CA 0.183 58.050 58.200 -0.554 0.000 0.929 1010 S CB 0.698 63.598 63.200 -0.500 0.000 0.832 1010 S HN 0.516 nan 8.310 nan 0.000 0.492 1011 A N 1.692 124.470 122.820 -0.071 0.000 2.019 1011 A HA 0.398 4.718 4.320 -0.000 0.000 0.219 1011 A C 2.167 179.613 177.584 -0.229 0.000 1.164 1011 A CA 1.469 53.332 52.037 -0.289 0.000 0.644 1011 A CB -1.336 17.193 19.000 -0.785 0.000 0.805 1011 A HN 1.507 nan 8.150 nan 0.000 0.449 1012 G N -1.596 107.186 108.800 -0.030 0.000 2.417 1012 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.233 1012 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.233 1012 G C 0.431 175.342 174.900 0.018 0.000 1.103 1012 G CA 0.445 45.567 45.100 0.037 0.000 0.647 1012 G HN 0.730 nan 8.290 nan 0.000 0.512 1013 R N -0.599 119.761 120.500 -0.234 0.000 2.575 1013 R HA 0.683 5.023 4.340 -0.000 0.000 0.293 1013 R C -1.570 174.475 176.300 -0.425 0.000 0.983 1013 R CA -0.650 55.368 56.100 -0.137 0.000 0.887 1013 R CB 1.604 31.863 30.300 -0.068 0.000 1.184 1013 R HN 0.229 nan 8.270 nan 0.000 0.445 1014 Y N 0.157 120.468 120.300 0.020 0.000 2.512 1014 Y HA 0.389 4.939 4.550 -0.000 0.000 0.348 1014 Y C -0.400 175.699 175.900 0.331 0.000 0.990 1014 Y CA -0.915 57.203 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 2.271 121.662 119.070 0.536 0.000 2.717 1015 H HA 0.662 5.218 4.556 -0.000 0.000 0.366 1015 H C -1.749 173.952 175.328 0.623 0.000 1.132 1015 H CA -1.000 55.322 56.048 0.457 0.000 1.180 1015 H CB 1.410 31.326 29.762 0.256 0.000 1.678 1015 H HN 0.596 nan 8.280 nan 0.000 0.537 1016 Y N 1.088 121.094 120.300 -0.489 0.000 2.624 1016 Y HA 0.504 5.054 4.550 -0.000 0.000 0.334 1016 Y C -1.991 173.703 175.900 -0.343 0.000 1.155 1016 Y CA -1.064 56.862 58.100 -0.291 0.000 1.046 1016 Y CB 1.280 39.663 38.460 -0.128 0.000 1.316 1016 Y HN 0.657 nan 8.280 nan 0.000 0.457 1017 Q N 3.077 122.834 119.800 -0.071 0.000 2.421 1017 Q HA 0.798 5.138 4.340 -0.000 0.000 0.280 1017 Q C -1.811 174.241 176.000 0.087 0.000 1.085 1017 Q CA -1.125 54.644 55.803 -0.057 0.000 0.807 1017 Q CB 3.709 32.474 28.738 0.045 0.000 1.405 1017 Q HN 0.759 nan 8.270 nan 0.000 0.419 1018 L N 0.796 122.057 121.223 0.064 0.000 2.540 1018 L HA 0.678 5.018 4.340 -0.000 0.000 0.256 1018 L C -1.605 175.368 176.870 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 1.650 121.698 119.914 0.224 0.000 2.531 1019 V HA 0.491 4.611 4.120 -0.000 0.000 0.301 1019 V C -1.028 175.246 176.094 0.300 0.000 1.034 1019 V CA -0.447 61.999 62.300 0.244 0.000 0.865 1019 V CB 2.105 34.045 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