REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1jyy_1_C 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 -1.833 112.758 114.554 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 1.212 63.338 62.100 0.044 0.000 1.074 4 T CB -0.563 68.329 68.868 0.040 0.000 0.944 4 T HN 0.342 nan 8.240 nan 0.000 0.516 5 D N 2.293 122.795 120.400 0.169 0.000 2.340 5 D HA 0.103 4.743 4.640 -0.000 0.000 0.220 5 D C 0.827 177.327 176.300 0.333 0.000 1.039 5 D CA 0.077 54.283 54.000 0.345 0.000 0.866 5 D CB 0.019 41.063 40.800 0.406 0.000 0.913 5 D HN 0.570 nan 8.370 nan 0.000 0.523 6 S N 0.124 115.913 115.700 0.147 0.000 2.548 6 S HA 0.086 4.556 4.470 -0.000 0.000 0.277 6 S C 1.343 175.992 174.600 0.081 0.000 1.315 6 S CA -0.688 57.558 58.200 0.076 0.000 1.050 6 S CB 1.190 64.407 63.200 0.028 0.000 0.918 6 S HN -0.122 nan 8.310 nan 0.000 0.497 7 L N 4.059 125.308 121.223 0.042 0.000 1.997 7 L HA -0.142 4.198 4.340 -0.000 0.000 0.216 7 L C 3.033 179.919 176.870 0.027 0.000 1.074 7 L CA 2.631 57.501 54.840 0.050 0.000 0.763 7 L CB -1.801 40.246 42.059 -0.021 0.000 0.890 7 L HN 1.000 nan 8.230 nan 0.000 0.434 8 A N -1.440 121.384 122.820 0.008 0.000 1.971 8 A HA -0.254 4.066 4.320 -0.000 0.000 0.222 8 A C 2.527 180.109 177.584 -0.002 0.000 1.182 8 A CA 2.509 54.549 52.037 0.005 0.000 0.649 8 A CB -1.100 17.899 19.000 -0.001 0.000 0.818 8 A HN 0.283 nan 8.150 nan 0.000 0.458 9 V N -1.015 118.890 119.914 -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 1.663 63.935 62.300 -0.046 0.000 1.027 9 V CB -0.182 31.618 31.823 -0.039 0.000 0.667 9 V HN 0.352 nan 8.190 nan 0.000 0.457 10 V N 0.844 120.673 119.914 -0.142 0.000 2.231 10 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 10 V C 2.269 178.258 176.094 -0.174 0.000 1.054 10 V CA 2.412 64.522 62.300 -0.316 0.000 1.015 10 V CB -0.775 30.809 31.823 -0.399 0.000 0.638 10 V HN 0.498 nan 8.190 nan 0.000 0.444 11 L N 0.263 121.476 121.223 -0.017 0.000 2.633 11 L HA -0.155 4.185 4.340 -0.000 0.000 0.235 11 L C 2.452 179.401 176.870 0.132 0.000 1.163 11 L CA 0.925 55.888 54.840 0.206 0.000 0.859 11 L CB -0.841 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 2.216 122.020 119.800 0.006 0.000 2.030 12 Q HA -0.219 4.121 4.340 -0.000 0.000 0.204 12 Q C 2.241 178.189 176.000 -0.085 0.000 0.986 12 Q CA 2.101 57.888 55.803 -0.028 0.000 0.843 12 Q CB -0.111 28.596 28.738 -0.051 0.000 0.904 12 Q HN 0.567 nan 8.270 nan 0.000 0.420 13 R N -0.267 120.159 120.500 -0.124 0.000 2.120 13 R HA 0.058 4.398 4.340 -0.000 0.000 0.234 13 R C 0.322 176.431 176.300 -0.320 0.000 1.123 13 R CA 0.906 56.896 56.100 -0.183 0.000 0.975 13 R CB -0.453 29.745 30.300 -0.170 0.000 0.866 13 R HN 0.107 nan 8.270 nan 0.000 0.446 14 R N 1.000 121.208 120.500 -0.486 0.000 3.209 14 R HA -0.141 4.199 4.340 -0.000 0.000 0.252 14 R C -0.557 175.218 176.300 -0.876 0.000 0.958 14 R CA 0.516 55.841 56.100 -1.292 0.000 0.651 14 R CB -1.478 28.208 30.300 -1.024 0.000 1.142 14 R HN 0.490 nan 8.270 nan 0.000 0.441 15 D N -0.185 119.925 120.400 -0.483 0.000 2.218 15 D HA -0.191 4.449 4.640 -0.000 0.000 0.204 15 D C 1.608 177.855 176.300 -0.089 0.000 0.976 15 D CA 1.843 55.640 54.000 -0.339 0.000 0.853 15 D CB -0.120 40.270 40.800 -0.684 0.000 0.939 15 D HN 0.735 nan 8.370 nan 0.000 0.481 16 W N 1.735 123.060 121.300 0.042 0.000 3.096 16 W HA 0.115 4.775 4.660 -0.000 0.000 0.241 16 W C 0.490 177.123 176.519 0.189 0.000 1.316 16 W CA -0.111 57.368 57.345 0.224 0.000 1.520 16 W CB -0.197 29.422 29.460 0.266 0.000 1.128 16 W HN -0.176 nan 8.180 nan 0.000 0.707 17 E N 0.941 120.973 120.200 -0.281 0.000 2.995 17 E HA 0.058 4.408 4.350 -0.000 0.000 0.203 17 E C -0.829 175.662 176.600 -0.182 0.000 0.980 17 E CA -0.228 56.081 56.400 -0.152 0.000 1.172 17 E CB -0.172 29.463 29.700 -0.109 0.000 1.088 17 E HN 0.109 nan 8.360 nan 0.000 0.463 18 N N 1.211 119.824 118.700 -0.144 0.000 2.594 18 N HA 0.135 4.875 4.740 -0.000 0.000 0.280 18 N C -2.253 173.142 175.510 -0.191 0.000 1.156 18 N CA -1.867 51.066 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 -0.234 nan 8.380 nan 0.000 0.536 19 P HA -0.043 nan 4.420 nan 0.000 0.220 19 P C 1.175 178.253 177.300 -0.370 0.000 1.144 19 P CA 1.043 63.830 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 -0.582 108.039 108.800 -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 0.350 175.182 174.900 -0.113 0.000 1.130 20 G CA 0.212 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 1.127 120.997 119.914 -0.075 0.000 2.378 21 V HA 0.420 4.540 4.120 -0.000 0.000 0.288 21 V C 0.863 177.023 176.094 0.110 0.000 1.016 21 V CA 0.187 62.500 62.300 0.022 0.000 0.840 21 V CB 1.354 33.193 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 0.219 174.926 174.700 0.011 0.000 1.003 22 T CA 0.298 62.432 62.100 0.056 0.000 0.932 22 T CB 0.388 69.253 68.868 -0.004 0.000 1.087 22 T HN 0.726 nan 8.240 nan 0.000 0.512 23 Q N 0.129 119.986 119.800 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 0.787 29.506 28.738 -0.031 0.000 1.472 23 Q HN 0.076 nan 8.270 nan 0.000 0.416 24 L N 2.531 123.907 121.223 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 1.418 43.783 42.059 0.510 0.000 1.248 24 L HN 0.882 nan 8.230 nan 0.000 0.404 25 N N 1.165 119.982 118.700 0.195 0.000 2.753 25 N HA -0.237 4.503 4.740 -0.000 0.000 0.251 25 N C 0.526 176.110 175.510 0.123 0.000 1.097 25 N CA 0.845 54.000 53.050 0.176 0.000 0.786 25 N CB -0.670 37.918 38.487 0.169 0.000 1.137 25 N HN 0.674 nan 8.380 nan 0.000 0.566 26 R N 1.160 121.606 120.500 -0.089 0.000 2.490 26 R HA 0.379 4.719 4.340 -0.000 0.000 0.280 26 R C 0.725 176.844 176.300 -0.302 0.000 1.077 26 R CA -0.364 55.391 56.100 -0.575 0.000 1.065 26 R CB 0.572 30.546 30.300 -0.543 0.000 1.003 26 R HN 0.114 nan 8.270 nan 0.000 0.470 27 L N 2.515 123.549 121.223 -0.315 0.000 2.470 27 L HA 0.318 4.658 4.340 -0.000 0.000 0.243 27 L C 0.655 177.479 176.870 -0.076 0.000 1.227 27 L CA -0.603 54.168 54.840 -0.115 0.000 0.824 27 L CB 0.390 42.422 42.059 -0.046 0.000 1.175 27 L HN 0.742 nan 8.230 nan 0.000 0.503 28 A N 0.364 123.189 122.820 0.008 0.000 2.340 28 A HA 0.608 4.927 4.320 -0.000 0.000 0.268 28 A C 0.140 177.790 177.584 0.109 0.000 1.100 28 A CA -0.221 51.839 52.037 0.038 0.000 0.803 28 A CB 0.521 19.560 19.000 0.066 0.000 1.043 28 A HN 0.753 nan 8.150 nan 0.000 0.488 29 A N 1.190 124.024 122.820 0.023 0.000 2.406 29 A HA 0.653 4.973 4.320 -0.000 0.000 0.243 29 A C 0.155 177.739 177.584 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 2.072 nan 8.150 nan 0.000 0.495 30 H N -2.579 116.422 119.070 -0.114 0.000 2.883 30 H HA 0.540 5.096 4.556 -0.000 0.000 0.266 30 H C -3.423 171.699 175.328 -0.344 0.000 1.446 30 H CA -1.443 54.503 56.048 -0.170 0.000 1.179 30 H CB -0.052 29.639 29.762 -0.119 0.000 1.806 30 H HN 0.425 nan 8.280 nan 0.000 0.467 31 P HA 0.219 nan 4.420 nan 0.000 0.274 31 P C -2.610 174.390 177.300 -0.500 0.000 1.256 31 P CA -1.566 61.309 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 0.877 63.869 63.100 -0.181 0.000 0.763 32 P CB -0.204 31.483 31.700 -0.022 0.000 0.790 33 F N 1.421 121.492 119.950 0.202 0.000 2.507 33 F HA 0.598 5.125 4.527 -0.000 0.000 0.327 33 F C 1.203 176.971 175.800 -0.053 0.000 1.068 33 F CA -0.946 57.117 58.000 0.104 0.000 0.965 33 F CB 1.920 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 0.246 123.075 122.820 0.015 0.000 2.263 34 A HA 0.268 4.588 4.320 -0.000 0.000 0.200 34 A C 0.821 178.172 177.584 -0.388 0.000 1.428 34 A CA 0.539 52.313 52.037 -0.439 0.000 1.050 34 A CB -0.070 18.081 19.000 -1.416 0.000 1.226 34 A HN 0.778 nan 8.150 nan 0.000 0.501 35 S N -0.318 115.277 115.700 -0.175 0.000 3.749 35 S HA -0.134 4.336 4.470 -0.000 0.000 0.348 35 S C -0.032 174.538 174.600 -0.049 0.000 1.045 35 S CA 0.382 58.512 58.200 -0.117 0.000 1.051 35 S CB -1.754 61.342 63.200 -0.173 0.000 0.898 35 S HN 0.504 nan 8.310 nan 0.000 0.472 36 W N 0.626 121.930 121.300 0.007 0.000 2.187 36 W HA 0.131 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 -0.194 57.159 57.345 0.013 0.000 1.271 36 W CB 0.126 29.593 29.460 0.011 0.000 1.170 36 W HN 0.260 nan 8.180 nan 0.000 0.583 37 R N 1.434 122.089 120.500 0.259 0.000 2.509 37 R HA 0.074 4.414 4.340 -0.000 0.000 0.300 37 R C -0.061 176.322 176.300 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 0.357 nan 8.270 nan 0.000 0.546 38 N N -0.254 118.550 118.700 0.173 0.000 2.336 38 N HA 0.005 4.745 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 53.329 53.050 0.081 0.000 0.865 38 N CB 2.024 40.553 38.487 0.071 0.000 1.581 38 N HN -0.087 nan 8.380 nan 0.000 0.480 39 S N 3.014 118.686 115.700 -0.047 0.000 2.365 39 S HA -0.186 4.284 4.470 -0.000 0.000 0.221 39 S C 1.256 175.707 174.600 -0.248 0.000 1.037 39 S CA 1.337 59.460 58.200 -0.129 0.000 1.060 39 S CB -0.391 62.762 63.200 -0.078 0.000 0.974 39 S HN 0.645 nan 8.310 nan 0.000 0.427 40 E N 1.329 121.412 120.200 -0.196 0.000 2.108 40 E HA -0.192 4.157 4.350 -0.000 0.000 0.203 40 E C 2.163 178.589 176.600 -0.289 0.000 1.022 40 E CA 1.771 58.025 56.400 -0.243 0.000 0.823 40 E CB -0.641 28.969 29.700 -0.151 0.000 0.744 40 E HN 0.778 nan 8.360 nan 0.000 0.456 41 E N 0.168 120.228 120.200 -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 1.157 57.417 56.400 -0.233 0.000 0.809 41 E CB -0.207 29.551 29.700 0.096 0.000 0.755 41 E HN 0.250 nan 8.360 nan 0.000 0.449 42 A N 1.620 123.580 122.820 -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 2.019 52.651 52.037 -2.341 0.000 0.633 42 A CB -0.643 17.509 19.000 -1.413 0.000 0.819 42 A HN 0.150 nan 8.150 nan 0.000 0.448 43 R N -0.196 119.885 120.500 -0.698 0.000 2.091 43 R HA -0.132 4.208 4.340 -0.000 0.000 0.238 43 R C 1.556 177.603 176.300 -0.422 0.000 1.136 43 R CA 2.089 57.862 56.100 -0.544 0.000 0.959 43 R CB -0.483 29.441 30.300 -0.627 0.000 0.856 43 R HN 0.587 nan 8.270 nan 0.000 0.437 44 T N -2.206 112.133 114.554 -0.358 0.000 3.244 44 T HA 0.106 4.456 4.350 -0.000 0.000 0.254 44 T C -0.002 174.631 174.700 -0.112 0.000 1.024 44 T CA 0.155 62.132 62.100 -0.206 0.000 0.920 44 T CB 0.140 68.912 68.868 -0.160 0.000 1.042 44 T HN 0.308 nan 8.240 nan 0.000 0.572 45 D N 1.655 121.957 120.400 -0.164 0.000 2.686 45 D HA -0.164 4.476 4.640 -0.000 0.000 0.235 45 D C 0.464 176.900 176.300 0.226 0.000 1.160 45 D CA 0.417 54.460 54.000 0.071 0.000 0.645 45 D CB -0.452 40.414 40.800 0.112 0.000 1.039 45 D HN 0.437 nan 8.370 nan 0.000 0.423 46 R N -0.244 120.407 120.500 0.252 0.000 2.811 46 R HA 0.565 4.904 4.340 -0.000 0.000 0.237 46 R C -2.001 174.561 176.300 0.437 0.000 1.231 46 R CA -0.839 55.437 56.100 0.294 0.000 1.070 46 R CB -0.750 29.688 30.300 0.230 0.000 1.126 46 R HN 0.174 nan 8.270 nan 0.000 0.540 47 P HA 0.198 nan 4.420 nan 0.000 0.304 47 P C -1.005 176.341 177.300 0.076 0.000 1.365 47 P CA -0.488 62.710 63.100 0.164 0.000 0.935 47 P CB 1.804 33.569 31.700 0.109 0.000 1.091 48 S N 1.954 117.552 115.700 -0.169 0.000 2.554 48 S HA 0.139 4.609 4.470 -0.000 0.000 0.278 48 S C 1.093 175.656 174.600 -0.061 0.000 1.242 48 S CA -0.433 57.617 58.200 -0.249 0.000 1.051 48 S CB 0.597 63.391 63.200 -0.676 0.000 0.986 48 S HN 0.335 nan 8.310 nan 0.000 0.502 49 Q N 2.733 122.551 119.800 0.030 0.000 2.425 49 Q HA 0.011 4.351 4.340 -0.000 0.000 0.204 49 Q C 0.789 176.938 176.000 0.248 0.000 0.933 49 Q CA 0.313 56.195 55.803 0.132 0.000 0.939 49 Q CB -0.324 28.505 28.738 0.152 0.000 1.044 49 Q HN 0.861 nan 8.270 nan 0.000 0.513 50 Q N 0.435 120.302 119.800 0.111 0.000 2.444 50 Q HA 0.166 4.506 4.340 -0.000 0.000 0.206 50 Q C -0.019 176.037 176.000 0.094 0.000 0.948 50 Q CA 0.038 55.889 55.803 0.081 0.000 0.946 50 Q CB -0.034 28.645 28.738 -0.099 0.000 1.027 50 Q HN 0.163 nan 8.270 nan 0.000 0.513 51 L N 1.237 122.526 121.223 0.110 0.000 2.325 51 L HA 0.472 4.812 4.340 -0.000 0.000 0.281 51 L C -1.058 175.898 176.870 0.144 0.000 1.004 51 L CA -0.465 54.429 54.840 0.091 0.000 0.823 51 L CB 1.447 43.484 42.059 -0.036 0.000 1.236 51 L HN -0.082 nan 8.230 nan 0.000 0.415 52 R N 2.644 123.247 120.500 0.172 0.000 2.575 52 R HA 0.443 4.783 4.340 -0.000 0.000 0.293 52 R C -1.014 175.320 176.300 0.058 0.000 0.983 52 R CA -0.482 55.686 56.100 0.113 0.000 0.887 52 R CB 2.219 32.591 30.300 0.121 0.000 1.184 52 R HN 0.710 nan 8.270 nan 0.000 0.445 53 S N 3.236 118.962 115.700 0.042 0.000 2.562 53 S HA 0.303 4.772 4.470 -0.000 0.000 0.275 53 S C 0.870 175.494 174.600 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 3.415 124.681 121.223 0.071 0.000 2.857 54 L HA 0.288 4.627 4.340 -0.000 0.000 0.249 54 L C 0.031 177.120 176.870 0.367 0.000 1.172 54 L CA -0.321 54.600 54.840 0.135 0.000 0.980 54 L CB -0.464 41.657 42.059 0.102 0.000 1.299 54 L HN 0.530 nan 8.230 nan 0.000 0.535 55 N N 1.653 120.490 118.700 0.229 0.000 2.518 55 N HA 0.493 5.233 4.740 -0.000 0.000 0.266 55 N C 0.657 176.326 175.510 0.264 0.000 1.196 55 N CA 0.737 53.923 53.050 0.228 0.000 0.947 55 N CB 1.774 40.316 38.487 0.093 0.000 1.098 55 N HN 0.296 nan 8.380 nan 0.000 0.450 56 G N 0.537 109.528 108.800 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 -1.419 173.735 174.900 0.423 0.000 1.318 56 G CA -0.792 44.478 45.100 0.282 0.000 1.016 56 G HN 0.459 nan 8.290 nan 0.000 0.469 57 E N -0.321 120.074 120.200 0.325 0.000 2.316 57 E HA 0.497 4.847 4.350 -0.000 0.000 0.275 57 E C -0.946 175.917 176.600 0.439 0.000 1.029 57 E CA 0.057 56.649 56.400 0.320 0.000 0.871 57 E CB 0.664 30.466 29.700 0.170 0.000 1.022 57 E HN 0.384 nan 8.360 nan 0.000 0.418 58 W N 1.582 122.958 121.300 0.125 0.000 3.060 58 W HA 0.437 5.097 4.660 -0.000 0.000 0.346 58 W C -0.504 176.112 176.519 0.162 0.000 1.194 58 W CA -0.692 56.753 57.345 0.167 0.000 1.105 58 W CB 0.947 30.552 29.460 0.241 0.000 1.487 58 W HN 0.259 nan 8.180 nan 0.000 0.592 59 R N 1.525 122.290 120.500 0.442 0.000 2.445 59 R HA 0.591 4.931 4.340 -0.000 0.000 0.308 59 R C -1.536 174.948 176.300 0.307 0.000 0.961 59 R CA -0.800 55.483 56.100 0.305 0.000 0.862 59 R CB 1.963 32.387 30.300 0.208 0.000 1.144 59 R HN 0.344 nan 8.270 nan 0.000 0.447 60 F N 1.377 121.323 119.950 -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 40.752 39.000 -0.483 0.000 1.189 60 F HN 0.639 nan 8.300 nan 0.000 0.465 61 A N 4.285 126.175 122.820 -1.552 0.000 2.517 61 A HA 0.520 4.840 4.320 -0.000 0.000 0.297 61 A C -2.440 174.300 177.584 -1.405 0.000 1.050 61 A CA -0.521 50.837 52.037 -1.132 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 2.501 123.063 121.300 -1.229 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 0.501 nan 8.180 nan 0.000 0.524 63 F N 5.540 124.886 119.950 -1.007 0.000 2.591 63 F HA 0.329 4.856 4.527 -0.000 0.000 0.309 63 F C -1.416 173.559 175.800 -1.374 0.000 1.098 63 F CA -2.565 54.970 58.000 -0.775 0.000 0.937 63 F CB 1.547 40.239 39.000 -0.513 0.000 1.250 63 F HN 0.187 nan 8.300 nan 0.000 0.447 64 P HA 0.019 nan 4.420 nan 0.000 0.225 64 P C -0.179 177.023 177.300 -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 -2.401 175.082 177.584 -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 1.021 178.207 177.300 -0.189 0.000 1.157 66 P CA 1.863 64.807 63.100 -0.260 0.000 0.863 66 P CB -0.016 31.492 31.700 -0.321 0.000 0.787 67 E N 0.746 120.902 120.200 -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 28.494 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 1.111 178.591 177.584 -0.173 0.000 1.193 68 A CA -0.002 52.024 52.037 -0.018 0.000 0.794 68 A CB -0.220 18.854 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 0.289 4.409 4.120 -0.000 0.000 0.301 69 V C -2.374 173.557 176.094 -0.272 0.000 1.066 69 V CA -1.361 60.550 62.300 -0.650 0.000 1.052 69 V CB 1.048 32.303 31.823 -0.945 0.000 1.021 69 V HN 0.264 nan 8.190 nan 0.000 0.480 70 P HA 0.437 nan 4.420 nan 0.000 0.306 70 P C 0.176 177.478 177.300 0.002 0.000 1.385 70 P CA -0.598 62.477 63.100 -0.041 0.000 0.915 70 P CB 1.794 33.513 31.700 0.031 0.000 1.013 71 E N 1.446 121.630 120.200 -0.026 0.000 2.187 71 E HA -0.211 4.139 4.350 -0.000 0.000 0.199 71 E C 1.514 178.081 176.600 -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 -0.104 115.590 115.700 -0.010 0.000 2.387 72 S HA -0.242 4.227 4.470 -0.000 0.000 0.230 72 S C 1.452 176.044 174.600 -0.013 0.000 1.035 72 S CA 1.201 59.396 58.200 -0.007 0.000 1.014 72 S CB -0.785 62.435 63.200 0.033 0.000 0.836 72 S HN 0.551 nan 8.310 nan 0.000 0.466 73 W N 2.642 123.859 121.300 -0.140 0.000 2.292 73 W HA -0.187 4.473 4.660 -0.000 0.000 0.304 73 W C 1.640 178.047 176.519 -0.186 0.000 1.228 73 W CA 1.133 58.385 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 0.039 120.970 121.223 -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 1.537 55.964 54.840 -0.689 0.000 0.752 74 L CB -0.714 41.013 42.059 -0.553 0.000 0.899 74 L HN -0.048 nan 8.230 nan 0.000 0.433 75 E N -1.248 118.785 120.200 -0.278 0.000 2.079 75 E HA 0.069 4.419 4.350 -0.000 0.000 0.191 75 E C 0.353 176.864 176.600 -0.147 0.000 0.961 75 E CA 0.448 56.743 56.400 -0.174 0.000 0.823 75 E CB 0.111 29.748 29.700 -0.105 0.000 0.789 75 E HN 0.317 nan 8.360 nan 0.000 0.459 76 C N 1.919 121.150 119.300 -0.116 0.000 2.507 76 C HA 0.361 4.821 4.460 -0.000 0.000 0.319 76 C C 0.196 175.180 174.990 -0.009 0.000 1.208 76 C CA -1.272 57.712 59.018 -0.057 0.000 1.619 76 C CB 1.565 29.293 27.740 -0.019 0.000 2.230 76 C HN 0.243 nan 8.230 nan 0.000 0.492 77 D N 1.273 121.683 120.400 0.016 0.000 2.378 77 D HA 0.217 4.857 4.640 -0.000 0.000 0.238 77 D C -0.125 176.249 176.300 0.125 0.000 1.180 77 D CA 0.443 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 2.461 123.785 121.223 0.168 0.000 2.416 78 L HA 0.217 4.557 4.340 -0.000 0.000 0.262 78 L C -1.198 175.714 176.870 0.070 0.000 1.093 78 L CA -1.547 53.364 54.840 0.119 0.000 0.801 78 L CB 0.636 42.770 42.059 0.125 0.000 1.191 78 L HN 0.268 nan 8.230 nan 0.000 0.459 79 P HA -0.036 nan 4.420 nan 0.000 0.216 79 P C 0.588 177.901 177.300 0.021 0.000 1.156 79 P CA 0.896 64.014 63.100 0.031 0.000 0.855 79 P CB 0.226 31.939 31.700 0.023 0.000 0.786 80 E N 0.125 120.331 120.200 0.009 0.000 2.494 80 E HA 0.244 4.594 4.350 -0.000 0.000 0.193 80 E C 0.763 177.354 176.600 -0.015 0.000 1.074 80 E CA -0.088 56.305 56.400 -0.013 0.000 0.867 80 E CB -0.758 28.916 29.700 -0.043 0.000 0.924 80 E HN 0.178 nan 8.360 nan 0.000 0.502 81 A N 1.263 124.088 122.820 0.009 0.000 2.445 81 A HA 0.134 4.454 4.320 -0.000 0.000 0.242 81 A C -0.033 177.582 177.584 0.051 0.000 1.075 81 A CA -0.234 51.811 52.037 0.013 0.000 0.777 81 A CB 0.371 19.407 19.000 0.059 0.000 1.013 81 A HN 0.052 nan 8.150 nan 0.000 0.493 82 D N 0.205 120.658 120.400 0.088 0.000 2.326 82 D HA 0.430 5.070 4.640 -0.000 0.000 0.248 82 D C -0.668 175.721 176.300 0.148 0.000 1.001 82 D CA -0.067 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 0.911 115.539 114.554 0.122 0.000 2.767 83 T HA 0.449 4.799 4.350 -0.000 0.000 0.284 83 T C -0.088 174.684 174.700 0.119 0.000 0.973 83 T CA -0.424 61.754 62.100 0.131 0.000 0.996 83 T CB 1.042 69.970 68.868 0.100 0.000 0.927 83 T HN 0.047 nan 8.240 nan 0.000 0.456 84 V N 3.420 123.432 119.914 0.164 0.000 3.040 84 V HA 0.541 4.660 4.120 -0.000 0.000 0.312 84 V C -0.320 175.877 176.094 0.172 0.000 1.115 84 V CA -0.922 61.444 62.300 0.110 0.000 0.998 84 V CB 2.436 34.309 31.823 0.083 0.000 1.042 84 V HN 0.633 nan 8.190 nan 0.000 0.433 85 V N 2.367 122.354 119.914 0.121 0.000 2.481 85 V HA 0.542 4.662 4.120 -0.000 0.000 0.286 85 V C -0.213 175.929 176.094 0.080 0.000 1.042 85 V CA -0.427 61.949 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 0.555 nan 8.190 nan 0.000 0.462 86 V N 6.783 126.691 119.914 -0.011 0.000 2.604 86 V HA 0.518 4.638 4.120 -0.000 0.000 0.305 86 V C -2.275 173.738 176.094 -0.136 0.000 1.043 86 V CA -1.736 60.441 62.300 -0.205 0.000 0.888 86 V CB 2.691 34.065 31.823 -0.749 0.000 0.995 86 V HN 0.786 nan 8.190 nan 0.000 0.429 87 P HA 0.580 nan 4.420 nan 0.000 0.278 87 P C -0.970 176.283 177.300 -0.079 0.000 1.258 87 P CA -0.284 62.725 63.100 -0.152 0.000 0.811 87 P CB 1.522 33.137 31.700 -0.141 0.000 1.063 88 S N -0.351 115.323 115.700 -0.043 0.000 2.643 88 S HA 0.392 4.862 4.470 -0.000 0.000 0.266 88 S C -1.486 173.084 174.600 -0.050 0.000 1.130 88 S CA -1.013 57.158 58.200 -0.048 0.000 0.817 88 S CB 0.124 63.312 63.200 -0.020 0.000 1.107 88 S HN 0.333 nan 8.310 nan 0.000 0.471 89 N N 1.139 119.730 118.700 -0.182 0.000 2.444 89 N HA 0.424 5.164 4.740 -0.000 0.000 0.262 89 N C 0.526 175.896 175.510 -0.234 0.000 0.974 89 N CA -0.755 52.161 53.050 -0.225 0.000 0.933 89 N CB 0.714 39.025 38.487 -0.292 0.000 1.137 89 N HN 0.817 nan 8.380 nan 0.000 0.498 90 W N 3.064 124.240 121.300 -0.207 0.000 2.350 90 W HA -0.168 4.492 4.660 -0.000 0.000 0.289 90 W C 0.946 177.458 176.519 -0.013 0.000 1.215 90 W CA 1.140 58.369 57.345 -0.192 0.000 1.236 90 W CB -0.440 28.826 29.460 -0.324 0.000 1.130 90 W HN 0.498 nan 8.180 nan 0.000 0.541 91 Q N 0.246 120.058 119.800 0.020 0.000 2.291 91 Q HA -0.121 4.219 4.340 -0.000 0.000 0.206 91 Q C 2.052 178.035 176.000 -0.029 0.000 0.976 91 Q CA 1.673 57.503 55.803 0.046 0.000 0.875 91 Q CB -0.629 28.009 28.738 -0.166 0.000 0.927 91 Q HN 0.241 nan 8.270 nan 0.000 0.450 92 M N -0.891 118.614 119.600 -0.158 0.000 2.630 92 M HA -0.037 4.443 4.480 -0.000 0.000 0.254 92 M C 0.412 176.685 176.300 -0.046 0.000 1.092 92 M CA 1.242 56.428 55.300 -0.190 0.000 1.087 92 M CB -0.529 31.889 32.600 -0.303 0.000 1.453 92 M HN 0.335 nan 8.290 nan 0.000 0.509 93 H N -1.359 117.784 119.070 0.122 0.000 2.592 93 H HA 0.354 4.910 4.556 -0.000 0.000 0.279 93 H C 1.257 176.512 175.328 -0.122 0.000 1.089 93 H CA 0.090 56.192 56.048 0.089 0.000 1.150 93 H CB 0.468 30.430 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 0.519 175.330 174.900 -0.150 0.000 0.977 94 G CA 0.605 45.660 45.100 -0.075 0.000 0.641 94 G HN 0.471 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 1.641 59.648 58.100 -0.153 0.000 1.182 95 Y CB -0.072 38.308 38.460 -0.134 0.000 0.979 95 Y HN 0.663 nan 8.280 nan 0.000 0.521 96 D N -2.430 118.119 120.400 0.247 0.000 2.768 96 D HA 0.512 5.152 4.640 -0.000 0.000 0.327 96 D C -1.158 175.279 176.300 0.227 0.000 1.302 96 D CA -0.768 53.377 54.000 0.242 0.000 0.897 96 D CB 0.689 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 0.094 19.241 19.000 0.246 0.000 1.064 97 A HN 0.487 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 -0.010 63.029 63.100 -0.101 0.000 0.815 98 P CB 0.886 32.238 31.700 -0.581 0.000 0.989 99 I N 2.240 123.039 120.570 0.380 0.000 2.493 99 I HA 0.344 4.514 4.170 -0.000 0.000 0.298 99 I C -0.628 175.710 176.117 0.368 0.000 0.998 99 I CA -0.979 60.559 61.300 0.396 0.000 1.137 99 I CB 1.803 39.957 38.000 0.256 0.000 1.310 99 I HN 0.311 nan 8.210 nan 0.000 0.445 100 Y N 5.332 125.612 120.300 -0.032 0.000 2.686 100 Y HA 0.430 4.980 4.550 -0.000 0.000 0.331 100 Y C -0.384 175.364 175.900 -0.255 0.000 0.996 100 Y CA -0.523 57.298 58.100 -0.465 0.000 1.293 100 Y CB 0.843 38.414 38.460 -1.481 0.000 1.092 100 Y HN 0.675 nan 8.280 nan 0.000 0.524 101 T N 0.967 114.986 114.554 -0.893 0.000 2.930 101 T HA 0.334 4.684 4.350 -0.000 0.000 0.290 101 T C 0.203 174.370 174.700 -0.889 0.000 1.052 101 T CA -0.810 60.794 62.100 -0.827 0.000 1.017 101 T CB 2.333 70.941 68.868 -0.433 0.000 1.137 101 T HN 0.699 nan 8.240 nan 0.000 0.511 102 N N -0.210 118.068 118.700 -0.703 0.000 2.622 102 N HA 0.020 4.760 4.740 -0.000 0.000 0.213 102 N C 1.171 176.383 175.510 -0.497 0.000 1.037 102 N CA 0.173 52.917 53.050 -0.509 0.000 0.999 102 N CB 0.415 38.617 38.487 -0.474 0.000 1.342 102 N HN 0.334 nan 8.380 nan 0.000 0.465 103 V N 0.914 120.471 119.914 -0.595 0.000 2.521 103 V HA 0.087 4.207 4.120 -0.000 0.000 0.239 103 V C 0.614 176.370 176.094 -0.563 0.000 1.053 103 V CA 0.769 62.640 62.300 -0.715 0.000 1.073 103 V CB -0.095 31.231 31.823 -0.829 0.000 0.746 103 V HN 0.281 nan 8.190 nan 0.000 0.476 104 T N 1.140 115.435 114.554 -0.431 0.000 2.871 104 T HA 0.106 4.456 4.350 -0.000 0.000 0.296 104 T C -0.405 174.133 174.700 -0.271 0.000 0.998 104 T CA 0.369 62.291 62.100 -0.297 0.000 1.162 104 T CB -0.299 68.434 68.868 -0.224 0.000 0.947 104 T HN 0.189 nan 8.240 nan 0.000 0.536 105 Y N 4.835 125.024 120.300 -0.185 0.000 2.597 105 Y HA 0.112 4.662 4.550 -0.000 0.000 0.336 105 Y C -0.940 174.819 175.900 -0.236 0.000 1.216 105 Y CA -1.829 56.148 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 0.127 177.232 177.300 -0.326 0.000 1.148 106 P CA 1.405 64.385 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 -0.585 175.390 176.117 -0.236 0.000 1.093 107 I CA -1.056 59.979 61.300 -0.442 0.000 1.001 107 I CB 1.504 39.072 38.000 -0.720 0.000 1.245 107 I HN -0.426 nan 8.210 nan 0.000 0.485 108 T N 2.265 116.721 114.554 -0.163 0.000 2.919 108 T HA 0.221 4.571 4.350 -0.000 0.000 0.302 108 T C 0.142 174.821 174.700 -0.036 0.000 1.031 108 T CA -0.322 61.741 62.100 -0.063 0.000 1.127 108 T CB 0.988 69.849 68.868 -0.010 0.000 0.952 108 T HN 0.375 nan 8.240 nan 0.000 0.540 109 V N 4.637 124.555 119.914 0.006 0.000 2.352 109 V HA 0.252 4.372 4.120 -0.000 0.000 0.253 109 V C 0.649 176.813 176.094 0.117 0.000 1.083 109 V CA -0.179 62.159 62.300 0.064 0.000 0.993 109 V CB -0.390 31.456 31.823 0.038 0.000 1.111 109 V HN 0.845 nan 8.190 nan 0.000 0.490 110 N N 5.622 124.463 118.700 0.235 0.000 2.679 110 N HA 0.241 4.981 4.740 -0.000 0.000 0.240 110 N C -2.994 172.581 175.510 0.108 0.000 1.537 110 N CA -1.242 51.918 53.050 0.183 0.000 0.793 110 N CB 1.478 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 0.182 nan 4.420 nan 0.000 0.266 111 P C -2.375 174.600 177.300 -0.541 0.000 1.195 111 P CA -0.715 61.885 63.100 -0.834 0.000 0.768 111 P CB 0.367 31.392 31.700 -1.125 0.000 0.838 112 P HA 0.276 nan 4.420 nan 0.000 0.257 112 P C -0.680 176.453 177.300 -0.279 0.000 1.737 112 P CA -0.356 62.459 63.100 -0.475 0.000 1.130 112 P CB -0.209 31.252 31.700 -0.398 0.000 1.572 113 F N -0.329 119.736 119.950 0.192 0.000 2.396 113 F HA 0.282 4.809 4.527 -0.000 0.000 0.343 113 F C 1.130 177.113 175.800 0.306 0.000 1.104 113 F CA -0.961 57.167 58.000 0.214 0.000 1.161 113 F CB 1.178 40.250 39.000 0.120 0.000 1.146 113 F HN -0.263 nan 8.300 nan 0.000 0.522 114 V N 3.696 123.916 119.914 0.510 0.000 2.966 114 V HA 0.417 4.537 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 1.880 34.027 31.823 0.539 0.000 1.070 114 V HN 0.523 nan 8.190 nan 0.000 0.457 115 P HA 0.168 nan 4.420 nan 0.000 0.285 115 P C 0.807 178.272 177.300 0.274 0.000 1.259 115 P CA -0.047 63.179 63.100 0.209 0.000 0.794 115 P CB 0.910 32.692 31.700 0.136 0.000 0.940 116 T N 0.247 114.925 114.554 0.206 0.000 2.721 116 T HA -0.229 4.121 4.350 -0.000 0.000 0.268 116 T C 0.373 175.187 174.700 0.190 0.000 1.038 116 T CA 1.415 63.630 62.100 0.193 0.000 1.145 116 T CB -0.817 68.128 68.868 0.128 0.000 0.858 116 T HN 0.385 nan 8.240 nan 0.000 0.459 117 E N 2.723 123.039 120.200 0.194 0.000 1.941 117 E HA 0.446 4.796 4.350 -0.000 0.000 0.275 117 E C -0.643 176.109 176.600 0.254 0.000 1.113 117 E CA -0.300 56.214 56.400 0.190 0.000 0.878 117 E CB 0.312 30.130 29.700 0.195 0.000 1.070 117 E HN 0.497 nan 8.360 nan 0.000 0.399 118 N N 3.354 122.158 118.700 0.174 0.000 2.531 118 N HA 0.291 5.031 4.740 -0.000 0.000 0.268 118 N C -2.812 172.668 175.510 -0.050 0.000 1.023 118 N CA -2.719 50.429 53.050 0.164 0.000 0.896 118 N CB 1.114 39.745 38.487 0.240 0.000 1.233 118 N HN -0.028 nan 8.380 nan 0.000 0.512 119 P HA -0.002 nan 4.420 nan 0.000 0.256 119 P C -0.757 176.389 177.300 -0.257 0.000 1.173 119 P CA 0.548 63.513 63.100 -0.225 0.000 0.768 119 P CB 0.157 31.975 31.700 0.197 0.000 0.758 120 T N 2.667 116.874 114.554 -0.578 0.000 2.824 120 T HA 0.602 4.952 4.350 -0.000 0.000 0.280 120 T C 0.458 174.732 174.700 -0.710 0.000 0.995 120 T CA -0.544 61.283 62.100 -0.455 0.000 1.009 120 T CB 1.688 70.304 68.868 -0.420 0.000 0.955 120 T HN 0.321 nan 8.240 nan 0.000 0.452 121 G N 0.900 109.426 108.800 -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 3.173 122.130 119.300 -0.571 0.000 2.281 122 C HA 0.478 4.938 4.460 -0.000 0.000 0.336 122 C C -0.488 174.473 174.990 -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 25.041 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 0.762 177.114 175.900 0.752 0.000 1.133 123 Y CA -0.458 57.988 58.100 0.576 0.000 1.152 123 Y CB 1.370 40.142 38.460 0.519 0.000 1.215 123 Y HN 0.695 nan 8.280 nan 0.000 0.466 124 S N 2.848 119.037 115.700 0.815 0.000 2.541 124 S HA 0.809 5.279 4.470 -0.000 0.000 0.271 124 S C -1.594 173.096 174.600 0.150 0.000 1.133 124 S CA -0.878 57.611 58.200 0.481 0.000 0.876 124 S CB 2.203 65.635 63.200 0.388 0.000 1.105 124 S HN 0.678 nan 8.310 nan 0.000 0.470 125 L N 0.910 122.076 121.223 -0.096 0.000 2.565 125 L HA 0.684 5.024 4.340 -0.000 0.000 0.261 125 L C -1.513 175.333 176.870 -0.040 0.000 0.932 125 L CA -0.012 54.606 54.840 -0.369 0.000 0.878 125 L CB 2.245 43.493 42.059 -1.351 0.000 1.333 125 L HN 0.785 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 62.042 62.100 0.047 0.000 0.978 126 T CB 0.561 69.405 68.868 -0.039 0.000 0.930 126 T HN 0.469 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 -0.984 174.758 175.800 -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 40.244 39.000 -0.137 0.000 1.349 127 F HN 0.264 nan 8.300 nan 0.000 0.464 128 N N 0.147 118.797 118.700 -0.082 0.000 2.443 128 N HA 0.707 5.447 4.740 -0.000 0.000 0.295 128 N C -1.670 173.788 175.510 -0.086 0.000 1.076 128 N CA -0.591 52.367 53.050 -0.154 0.000 0.919 128 N CB 2.157 40.584 38.487 -0.099 0.000 1.176 128 N HN 0.582 nan 8.380 nan 0.000 0.487 129 V N 1.360 121.182 119.914 -0.153 0.000 2.540 129 V HA 0.266 4.386 4.120 -0.000 0.000 0.302 129 V C -0.210 175.765 176.094 -0.199 0.000 1.035 129 V CA -1.015 61.195 62.300 -0.149 0.000 0.873 129 V CB 1.600 33.389 31.823 -0.056 0.000 0.992 129 V HN 0.653 nan 8.190 nan 0.000 0.428 130 D N 2.913 123.098 120.400 -0.358 0.000 2.423 130 D HA -0.002 4.638 4.640 -0.000 0.000 0.238 130 D C 1.178 177.395 176.300 -0.138 0.000 1.142 130 D CA 0.194 54.021 54.000 -0.288 0.000 0.884 130 D CB 1.536 42.084 40.800 -0.420 0.000 1.199 130 D HN 0.878 nan 8.370 nan 0.000 0.438 131 E N 1.069 121.232 120.200 -0.061 0.000 2.299 131 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 131 E C 1.645 178.281 176.600 0.061 0.000 0.998 131 E CA 0.813 57.218 56.400 0.008 0.000 0.851 131 E CB -0.195 29.505 29.700 -0.001 0.000 0.795 131 E HN 0.378 nan 8.360 nan 0.000 0.492 132 S N 0.388 116.122 115.700 0.057 0.000 2.387 132 S HA -0.223 4.247 4.470 -0.000 0.000 0.230 132 S C 1.539 176.237 174.600 0.164 0.000 1.035 132 S CA 1.052 59.316 58.200 0.106 0.000 1.014 132 S CB -0.867 62.401 63.200 0.114 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 2.226 178.689 176.519 -0.093 0.000 1.221 133 W CA -0.066 57.022 57.345 -0.428 0.000 1.257 133 W CB -0.854 28.364 29.460 -0.404 0.000 1.120 133 W HN 0.314 nan 8.180 nan 0.000 0.551 134 L N -0.273 121.080 121.223 0.216 0.000 2.291 134 L HA -0.182 4.157 4.340 -0.000 0.000 0.214 134 L C 2.292 179.237 176.870 0.124 0.000 1.120 134 L CA 0.970 55.907 54.840 0.162 0.000 0.799 134 L CB -0.376 41.747 42.059 0.107 0.000 0.925 134 L HN 0.044 nan 8.230 nan 0.000 0.446 135 Q N -0.326 119.542 119.800 0.113 0.000 1.922 135 Q HA -0.103 4.237 4.340 -0.000 0.000 0.201 135 Q C 0.891 176.947 176.000 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 0.329 120.600 120.200 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 56.472 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 0.774 109.589 108.800 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 -0.642 118.911 119.800 -0.412 0.000 2.356 138 Q HA 0.653 4.992 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 -0.161 0.000 1.303 138 Q HN 0.636 nan 8.270 nan 0.000 0.444 139 T N 4.642 119.207 114.554 0.019 0.000 2.809 139 T HA 0.522 4.872 4.350 -0.000 0.000 0.284 139 T C -0.912 173.862 174.700 0.123 0.000 0.992 139 T CA -0.642 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 3.366 123.917 120.500 0.085 0.000 2.837 140 R HA 0.721 5.061 4.340 -0.000 0.000 0.271 140 R C -1.311 175.032 176.300 0.072 0.000 0.993 140 R CA -0.951 55.205 56.100 0.092 0.000 0.931 140 R CB 1.661 32.000 30.300 0.065 0.000 1.206 140 R HN 0.537 nan 8.270 nan 0.000 0.474 141 I N 2.715 123.317 120.570 0.053 0.000 2.607 141 I HA 0.467 4.637 4.170 -0.000 0.000 0.305 141 I C -0.994 175.044 176.117 -0.132 0.000 0.995 141 I CA -1.448 59.808 61.300 -0.073 0.000 1.148 141 I CB 1.507 39.430 38.000 -0.129 0.000 1.323 141 I HN 0.644 nan 8.210 nan 0.000 0.461 142 I N 6.588 126.971 120.570 -0.312 0.000 2.512 142 I HA 0.264 4.434 4.170 -0.000 0.000 0.287 142 I C -1.292 174.549 176.117 -0.461 0.000 1.069 142 I CA -0.368 60.766 61.300 -0.278 0.000 1.056 142 I CB 1.750 39.675 38.000 -0.124 0.000 1.229 142 I HN 0.354 nan 8.210 nan 0.000 0.429 143 F N 4.530 124.484 119.950 0.007 0.000 2.350 143 F HA 0.252 4.779 4.527 -0.000 0.000 0.365 143 F C 1.281 176.987 175.800 -0.156 0.000 1.122 143 F CA -0.449 57.489 58.000 -0.103 0.000 1.139 143 F CB 0.836 39.763 39.000 -0.122 0.000 1.220 143 F HN 0.487 nan 8.300 nan 0.000 0.499 144 D N 2.394 122.763 120.400 -0.051 0.000 2.264 144 D HA 0.050 4.690 4.640 -0.000 0.000 0.208 144 D C 0.947 177.104 176.300 -0.240 0.000 0.966 144 D CA 0.904 54.814 54.000 -0.150 0.000 0.864 144 D CB 0.361 41.039 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 -1.579 172.872 174.900 -0.747 0.000 1.420 145 G CA -0.519 44.197 45.100 -0.641 0.000 1.086 145 G HN -0.057 nan 8.290 nan 0.000 0.591 146 V N 2.458 122.184 119.914 -0.313 0.000 2.524 146 V HA 0.560 4.680 4.120 -0.000 0.000 0.297 146 V C -0.759 175.387 176.094 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 2.429 118.105 115.700 -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 58.568 58.200 0.050 0.000 0.935 148 S CB 0.049 63.295 63.200 0.076 0.000 0.809 148 S HN 0.694 nan 8.310 nan 0.000 0.510 149 A N 0.743 123.642 122.820 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 1.234 nan 8.150 nan 0.000 0.419 150 F N -1.128 118.730 119.950 -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 -0.813 57.185 58.000 -0.003 0.000 0.954 150 F CB 0.867 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 1.906 121.147 119.070 0.286 0.000 2.533 151 H HA 0.812 5.368 4.556 -0.000 0.000 0.343 151 H C -1.403 174.008 175.328 0.138 0.000 1.160 151 H CA -0.682 55.484 56.048 0.197 0.000 1.218 151 H CB 2.352 32.286 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 -0.546 0.000 0.978 152 L CA -0.522 54.220 54.840 -0.164 0.000 0.822 152 L CB 1.852 43.757 42.059 -0.257 0.000 1.310 152 L HN 0.508 nan 8.230 nan 0.000 0.409 153 W N 4.181 125.444 121.300 -0.061 0.000 2.936 153 W HA 0.631 5.291 4.660 -0.000 0.000 0.338 153 W C -1.235 175.211 176.519 -0.122 0.000 1.121 153 W CA -0.779 56.496 57.345 -0.116 0.000 1.209 153 W CB 2.103 31.525 29.460 -0.064 0.000 1.420 153 W HN 0.692 nan 8.180 nan 0.000 0.516 154 C N 4.973 124.342 119.300 0.114 0.000 2.446 154 C HA 0.318 4.778 4.460 -0.000 0.000 0.329 154 C C 0.092 175.179 174.990 0.162 0.000 1.166 154 C CA -0.388 58.679 59.018 0.081 0.000 1.341 154 C CB -0.412 27.295 27.740 -0.054 0.000 1.970 154 C HN 0.800 nan 8.230 nan 0.000 0.452 155 N N 3.724 122.487 118.700 0.105 0.000 2.725 155 N HA -0.182 4.558 4.740 -0.000 0.000 0.251 155 N C 0.999 176.564 175.510 0.092 0.000 1.031 155 N CA 2.106 55.197 53.050 0.068 0.000 0.720 155 N CB -1.300 37.229 38.487 0.070 0.000 0.930 155 N HN 1.932 nan 8.380 nan 0.000 0.543 156 G N -1.327 107.514 108.800 0.069 0.000 2.234 156 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.260 156 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.260 156 G C 0.229 175.290 174.900 0.267 0.000 0.987 156 G CA 0.664 45.799 45.100 0.058 0.000 0.625 156 G HN 0.573 nan 8.290 nan 0.000 0.532 157 R N -0.854 119.873 120.500 0.379 0.000 2.312 157 R HA 0.455 4.795 4.340 -0.000 0.000 0.311 157 R C -0.067 176.533 176.300 0.501 0.000 1.004 157 R CA -0.879 55.522 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 3.999 125.451 121.300 0.255 0.000 2.251 158 W HA 0.093 4.753 4.660 -0.000 0.000 0.327 158 W C -0.137 176.208 176.519 -0.290 0.000 1.361 158 W CA 0.060 57.149 57.345 -0.427 0.000 1.234 158 W CB 0.627 29.882 29.460 -0.341 0.000 1.212 158 W HN 0.345 nan 8.180 nan 0.000 0.557 159 V N 4.955 123.819 119.914 -1.750 0.000 2.948 159 V HA 0.578 4.698 4.120 -0.000 0.000 0.234 159 V C 0.940 175.927 176.094 -1.846 0.000 1.205 159 V CA 0.795 62.208 62.300 -1.478 0.000 1.234 159 V CB -0.276 30.823 31.823 -1.208 0.000 1.020 159 V HN 0.778 nan 8.190 nan 0.000 0.491 160 G N -1.698 105.905 108.800 -1.996 0.000 2.554 160 G HA2 0.525 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 -2.504 172.197 174.900 -0.331 0.000 1.320 160 G CA -0.328 44.139 45.100 -1.055 0.000 0.800 160 G HN -0.013 nan 8.290 nan 0.000 0.481 161 Y N -0.656 119.593 120.300 -0.084 0.000 2.588 161 Y HA 0.739 5.289 4.550 -0.000 0.000 0.343 161 Y C -0.043 175.726 175.900 -0.217 0.000 1.065 161 Y CA -0.258 57.680 58.100 -0.270 0.000 1.038 161 Y CB 2.333 40.728 38.460 -0.108 0.000 1.297 161 Y HN 1.192 nan 8.280 nan 0.000 0.467 162 G N 3.318 111.360 108.800 -1.264 0.000 2.742 162 G HA2 0.570 4.529 3.960 -0.000 0.000 0.296 162 G HA3 0.570 4.529 3.960 -0.000 0.000 0.296 162 G C -2.176 172.281 174.900 -0.738 0.000 1.436 162 G CA -0.905 43.729 45.100 -0.776 0.000 0.928 162 G HN 0.599 nan 8.290 nan 0.000 0.520 163 Q N -0.083 119.518 119.800 -0.332 0.000 2.496 163 Q HA 0.609 4.949 4.340 -0.000 0.000 0.286 163 Q C -1.360 174.636 176.000 -0.007 0.000 1.103 163 Q CA -0.842 54.880 55.803 -0.134 0.000 0.813 163 Q CB 2.784 31.485 28.738 -0.062 0.000 1.444 163 Q HN 0.654 nan 8.270 nan 0.000 0.443 164 D N -0.074 120.361 120.400 0.058 0.000 4.150 164 D HA -0.097 4.543 4.640 -0.000 0.000 0.231 164 D C -0.207 176.156 176.300 0.104 0.000 1.129 164 D CA 0.672 54.723 54.000 0.085 0.000 1.005 164 D CB -0.701 40.137 40.800 0.062 0.000 0.691 164 D HN 0.575 nan 8.370 nan 0.000 0.320 165 S N 3.079 118.856 115.700 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 0.712 59.015 58.200 0.172 0.000 0.957 165 S CB 0.129 63.418 63.200 0.149 0.000 0.764 165 S HN 0.568 nan 8.310 nan 0.000 0.514 166 R N 0.232 120.821 120.500 0.150 0.000 2.362 166 R HA 0.449 4.789 4.340 -0.000 0.000 0.227 166 R C 0.055 176.416 176.300 0.102 0.000 0.905 166 R CA 0.044 56.233 56.100 0.148 0.000 1.067 166 R CB -0.371 30.030 30.300 0.167 0.000 1.078 166 R HN 0.378 nan 8.270 nan 0.000 0.516 167 L N 1.277 122.538 121.223 0.063 0.000 2.301 167 L HA 0.501 4.841 4.340 -0.000 0.000 0.264 167 L C -2.334 174.528 176.870 -0.014 0.000 1.016 167 L CA -2.438 52.412 54.840 0.016 0.000 0.821 167 L CB 1.958 44.019 42.059 0.003 0.000 1.346 167 L HN -0.232 nan 8.230 nan 0.000 0.429 168 P HA 0.134 nan 4.420 nan 0.000 0.269 168 P C -1.144 176.144 177.300 -0.021 0.000 1.215 168 P CA -0.223 62.849 63.100 -0.048 0.000 0.780 168 P CB 0.797 32.429 31.700 -0.113 0.000 0.898 169 S N 1.100 116.839 115.700 0.066 0.000 2.561 169 S HA 0.362 4.832 4.470 -0.000 0.000 0.303 169 S C -0.737 173.866 174.600 0.005 0.000 1.110 169 S CA -0.615 57.620 58.200 0.057 0.000 1.034 169 S CB 0.949 64.335 63.200 0.311 0.000 1.010 169 S HN 0.343 nan 8.310 nan 0.000 0.482 170 E N 1.904 121.928 120.200 -0.293 0.000 2.238 170 E HA 0.629 4.979 4.350 -0.000 0.000 0.267 170 E C -1.505 174.797 176.600 -0.497 0.000 0.887 170 E CA -0.618 55.657 56.400 -0.209 0.000 0.769 170 E CB 1.690 31.356 29.700 -0.057 0.000 1.187 170 E HN 0.417 nan 8.360 nan 0.000 0.416 171 F N 0.332 120.300 119.950 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 56.800 58.000 0.003 0.000 0.923 171 F CB 1.356 40.333 39.000 -0.038 0.000 1.230 171 F HN 0.242 nan 8.300 nan 0.000 0.450 172 D N 2.420 122.956 120.400 0.226 0.000 2.336 172 D HA 0.263 4.903 4.640 -0.000 0.000 0.249 172 D C 0.462 176.886 176.300 0.208 0.000 1.213 172 D CA 0.285 54.388 54.000 0.172 0.000 0.870 172 D CB 1.004 41.894 40.800 0.149 0.000 1.076 172 D HN 0.584 nan 8.370 nan 0.000 0.483 173 L N 2.515 123.859 121.223 0.201 0.000 2.513 173 L HA -0.035 4.305 4.340 -0.000 0.000 0.222 173 L C 2.191 179.302 176.870 0.402 0.000 1.096 173 L CA -0.062 54.931 54.840 0.255 0.000 0.857 173 L CB -0.057 42.118 42.059 0.193 0.000 1.026 173 L HN 0.329 nan 8.230 nan 0.000 0.469 174 S N 1.182 117.048 115.700 0.277 0.000 2.429 174 S HA -0.354 4.116 4.470 -0.000 0.000 0.251 174 S C 1.870 176.578 174.600 0.181 0.000 1.104 174 S CA 2.055 60.380 58.200 0.208 0.000 1.130 174 S CB -0.280 63.001 63.200 0.135 0.000 1.000 174 S HN 0.586 nan 8.310 nan 0.000 0.449 175 A N -0.828 122.100 122.820 0.180 0.000 2.251 175 A HA 0.371 4.690 4.320 -0.000 0.000 0.209 175 A C 0.980 178.424 177.584 -0.234 0.000 1.187 175 A CA 0.235 52.218 52.037 -0.090 0.000 0.823 175 A CB -0.257 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 -0.683 57.347 58.000 0.051 0.000 1.219 176 F CB -0.054 38.978 39.000 0.054 0.000 1.051 176 F HN -0.075 nan 8.300 nan 0.000 0.568 177 L N 1.906 123.277 121.223 0.248 0.000 2.350 177 L HA 0.480 4.820 4.340 -0.000 0.000 0.275 177 L C 0.321 177.235 176.870 0.074 0.000 1.099 177 L CA -0.446 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 1.586 122.094 120.500 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 1.717 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 0.826 123.626 122.820 -0.034 0.000 2.407 179 A HA 0.542 4.862 4.320 -0.000 0.000 0.248 179 A C 0.937 178.471 177.584 -0.084 0.000 1.082 179 A CA 0.775 52.783 52.037 -0.048 0.000 0.785 179 A CB -0.044 18.938 19.000 -0.031 0.000 1.020 179 A HN 0.893 nan 8.150 nan 0.000 0.489 180 G N 0.795 109.532 108.800 -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 0.354 45.378 45.100 -0.126 0.000 0.960 180 G HN 0.994 nan 8.290 nan 0.000 0.544 181 E N 2.359 122.447 120.200 -0.187 0.000 2.257 181 E HA 0.340 4.690 4.350 -0.000 0.000 0.278 181 E C -0.061 176.343 176.600 -0.327 0.000 1.049 181 E CA -0.050 56.200 56.400 -0.250 0.000 0.876 181 E CB 0.197 29.797 29.700 -0.167 0.000 1.035 181 E HN 0.424 nan 8.360 nan 0.000 0.419 182 N N 3.055 121.402 118.700 -0.588 0.000 2.321 182 N HA 0.413 5.153 4.740 -0.000 0.000 0.290 182 N C -0.845 174.345 175.510 -0.533 0.000 1.212 182 N CA -0.739 51.938 53.050 -0.622 0.000 0.767 182 N CB 2.383 40.384 38.487 -0.809 0.000 1.494 182 N HN 0.253 nan 8.380 nan 0.000 0.479 183 R N 1.431 121.812 120.500 -0.197 0.000 2.575 183 R HA 0.462 4.802 4.340 -0.000 0.000 0.293 183 R C -1.333 175.036 176.300 0.114 0.000 0.983 183 R CA -0.517 55.576 56.100 -0.012 0.000 0.887 183 R CB 1.302 31.560 30.300 -0.069 0.000 1.184 183 R HN 0.512 nan 8.270 nan 0.000 0.445 184 L N 2.904 124.252 121.223 0.208 0.000 2.309 184 L HA 0.656 4.996 4.340 -0.000 0.000 0.282 184 L C -0.205 176.756 176.870 0.151 0.000 1.036 184 L CA -0.765 54.199 54.840 0.207 0.000 0.806 184 L CB 1.879 44.079 42.059 0.235 0.000 1.220 184 L HN 0.690 nan 8.230 nan 0.000 0.429 185 A N 3.782 126.696 122.820 0.157 0.000 2.410 185 A HA 0.676 4.996 4.320 -0.000 0.000 0.289 185 A C -0.899 177.001 177.584 0.526 0.000 1.200 185 A CA -0.439 51.632 52.037 0.058 0.000 0.751 185 A CB 1.193 19.625 19.000 -0.947 0.000 1.161 185 A HN 0.377 nan 8.150 nan 0.000 0.459 186 V N 3.320 123.694 119.914 0.767 0.000 2.357 186 V HA 0.480 4.600 4.120 -0.000 0.000 0.284 186 V C 0.120 176.690 176.094 0.794 0.000 1.018 186 V CA -0.320 62.406 62.300 0.709 0.000 0.841 186 V CB 1.251 33.293 31.823 0.364 0.000 0.991 186 V HN 0.946 nan 8.190 nan 0.000 0.437 187 M N 6.282 126.362 119.600 0.800 0.000 2.088 187 M HA 0.602 5.082 4.480 -0.000 0.000 0.346 187 M C -1.438 175.104 176.300 0.404 0.000 1.111 187 M CA -0.273 55.325 55.300 0.496 0.000 1.017 187 M CB 1.237 34.164 32.600 0.545 0.000 1.568 187 M HN 0.469 nan 8.290 nan 0.000 0.445 188 V N 6.723 126.810 119.914 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 -0.768 61.695 62.300 0.272 0.000 0.908 188 V CB 1.629 33.616 31.823 0.274 0.000 0.985 188 V HN 0.836 nan 8.190 nan 0.000 0.454 189 L N 2.812 124.124 121.223 0.149 0.000 2.362 189 L HA 0.672 5.011 4.340 -0.000 0.000 0.271 189 L C 1.050 177.880 176.870 -0.068 0.000 1.002 189 L CA -0.809 54.046 54.840 0.026 0.000 0.818 189 L CB 1.777 43.747 42.059 -0.148 0.000 1.298 189 L HN 0.444 nan 8.230 nan 0.000 0.420 190 R N 1.552 121.908 120.500 -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 57.426 56.100 -0.740 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 0.365 121.724 121.300 0.098 0.000 2.375 191 W HA 0.297 4.957 4.660 -0.000 0.000 0.336 191 W C 0.143 176.781 176.519 0.197 0.000 1.160 191 W CA -0.693 56.723 57.345 0.117 0.000 1.266 191 W CB 1.059 30.589 29.460 0.116 0.000 1.195 191 W HN 0.141 nan 8.180 nan 0.000 0.599 192 S N -1.172 114.821 115.700 0.489 0.000 2.636 192 S HA 0.161 4.630 4.470 -0.000 0.000 0.268 192 S C 0.018 174.879 174.600 0.435 0.000 1.159 192 S CA -0.488 58.007 58.200 0.492 0.000 0.815 192 S CB 1.129 64.579 63.200 0.416 0.000 1.130 192 S HN 0.631 nan 8.310 nan 0.000 0.471 193 D N 0.799 121.450 120.400 0.419 0.000 2.178 193 D HA 0.036 4.676 4.640 -0.000 0.000 0.201 193 D C 1.897 178.489 176.300 0.485 0.000 0.980 193 D CA 1.306 55.581 54.000 0.459 0.000 0.842 193 D CB -0.837 40.117 40.800 0.257 0.000 0.948 193 D HN 0.733 nan 8.370 nan 0.000 0.472 194 G N 0.197 109.207 108.800 0.350 0.000 2.475 194 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.220 194 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.220 194 G C 1.741 176.817 174.900 0.294 0.000 1.125 194 G CA 1.048 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 0.038 115.908 115.700 0.283 0.000 2.383 195 S HA -0.145 4.325 4.470 -0.000 0.000 0.229 195 S C 1.969 176.682 174.600 0.188 0.000 1.030 195 S CA 1.129 59.466 58.200 0.227 0.000 1.002 195 S CB -0.485 62.853 63.200 0.230 0.000 0.829 195 S HN 0.549 nan 8.310 nan 0.000 0.467 196 Y N 1.262 121.660 120.300 0.163 0.000 2.384 196 Y HA -0.011 4.539 4.550 -0.000 0.000 0.289 196 Y C 1.610 177.603 175.900 0.155 0.000 1.152 196 Y CA 0.687 58.805 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 -0.045 121.365 121.223 0.312 0.000 2.700 197 L HA 0.125 4.465 4.340 -0.000 0.000 0.234 197 L C -0.071 176.937 176.870 0.229 0.000 1.156 197 L CA 0.367 55.348 54.840 0.235 0.000 0.946 197 L CB 0.002 42.195 42.059 0.224 0.000 1.216 197 L HN 0.194 nan 8.230 nan 0.000 0.493 198 E N -0.406 119.948 120.200 0.257 0.000 4.044 198 E HA 0.044 4.394 4.350 -0.000 0.000 0.216 198 E C -0.467 176.249 176.600 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 1.290 121.769 120.400 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 -0.443 0.000 0.975 199 D HN 0.078 nan 8.370 nan 0.000 0.490 200 Q N 0.562 120.442 119.800 0.133 0.000 2.349 200 Q HA 0.058 4.398 4.340 -0.000 0.000 0.287 200 Q C -0.115 175.978 176.000 0.155 0.000 1.044 200 Q CA 0.245 56.187 55.803 0.232 0.000 0.918 200 Q CB 0.515 29.531 28.738 0.463 0.000 1.242 200 Q HN 0.120 nan 8.270 nan 0.000 0.405 201 D N 3.422 123.926 120.400 0.174 0.000 2.441 201 D HA 0.206 4.846 4.640 -0.000 0.000 0.243 201 D C -0.666 175.752 176.300 0.197 0.000 1.257 201 D CA 0.058 54.120 54.000 0.103 0.000 1.027 201 D CB -0.319 40.521 40.800 0.068 0.000 1.084 201 D HN 0.470 nan 8.370 nan 0.000 0.514 202 M N 0.435 120.111 119.600 0.127 0.000 3.008 202 M HA 0.459 4.939 4.480 -0.000 0.000 0.271 202 M C -1.278 175.112 176.300 0.150 0.000 1.265 202 M CA -1.227 54.111 55.300 0.064 0.000 0.817 202 M CB 1.060 33.630 32.600 -0.049 0.000 1.638 202 M HN -0.035 nan 8.290 nan 0.000 0.479 203 W N 1.990 123.361 121.300 0.118 0.000 2.216 203 W HA 0.377 5.037 4.660 -0.000 0.000 0.326 203 W C 0.126 176.654 176.519 0.014 0.000 1.319 203 W CA -0.212 57.193 57.345 0.099 0.000 1.213 203 W CB 0.532 29.992 29.460 0.001 0.000 1.171 203 W HN 0.275 nan 8.180 nan 0.000 0.557 204 R N 4.970 125.652 120.500 0.303 0.000 2.196 204 R HA 0.424 4.764 4.340 -0.000 0.000 0.340 204 R C -0.130 176.204 176.300 0.056 0.000 1.043 204 R CA -0.184 56.020 56.100 0.172 0.000 0.883 204 R CB 0.246 30.693 30.300 0.245 0.000 1.078 204 R HN 0.581 nan 8.270 nan 0.000 0.462 205 M N 0.268 119.797 119.600 -0.119 0.000 2.708 205 M HA 0.525 5.005 4.480 -0.000 0.000 0.280 205 M C -0.244 175.751 176.300 -0.508 0.000 1.095 205 M CA -0.789 54.322 55.300 -0.315 0.000 0.822 205 M CB 2.187 34.587 32.600 -0.333 0.000 1.698 205 M HN 0.664 nan 8.290 nan 0.000 0.475 206 S N -1.305 113.970 115.700 -0.709 0.000 2.611 206 S HA 0.866 5.336 4.470 -0.000 0.000 0.270 206 S C -0.644 173.515 174.600 -0.735 0.000 1.131 206 S CA -0.306 57.395 58.200 -0.831 0.000 0.826 206 S CB 1.505 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 0.102 108.680 108.800 -0.370 0.000 2.331 207 G HA2 0.186 4.146 3.960 -0.000 0.000 0.479 207 G HA3 0.186 4.146 3.960 -0.000 0.000 0.479 207 G C -1.556 173.307 174.900 -0.062 0.000 1.262 207 G CA -0.574 44.528 45.100 0.003 0.000 1.029 207 G HN 1.202 nan 8.290 nan 0.000 0.487 208 I N 2.113 122.526 120.570 -0.262 0.000 2.316 208 I HA 0.296 4.466 4.170 -0.000 0.000 0.286 208 I C 1.003 176.990 176.117 -0.217 0.000 1.107 208 I CA -0.308 60.742 61.300 -0.416 0.000 1.219 208 I CB -0.060 37.483 38.000 -0.762 0.000 1.455 208 I HN 0.505 nan 8.210 nan 0.000 0.498 209 F N 3.719 123.526 119.950 -0.238 0.000 2.727 209 F HA 0.457 4.984 4.527 -0.000 0.000 0.302 209 F C 0.661 176.396 175.800 -0.108 0.000 1.097 209 F CA -0.518 57.381 58.000 -0.169 0.000 1.330 209 F CB 0.074 38.975 39.000 -0.166 0.000 1.084 209 F HN 0.133 nan 8.300 nan 0.000 0.578 210 R N 0.717 120.806 120.500 -0.685 0.000 2.867 210 R HA 0.225 4.565 4.340 -0.000 0.000 0.268 210 R C -0.889 175.262 176.300 -0.249 0.000 1.014 210 R CA -1.160 54.685 56.100 -0.425 0.000 0.946 210 R CB 1.063 31.049 30.300 -0.523 0.000 1.208 210 R HN 0.010 nan 8.270 nan 0.000 0.477 211 D N 0.669 120.995 120.400 -0.124 0.000 2.515 211 D HA 0.071 4.711 4.640 -0.000 0.000 0.230 211 D C -0.372 175.878 176.300 -0.083 0.000 1.181 211 D CA 0.534 54.490 54.000 -0.073 0.000 0.875 211 D CB 0.429 41.217 40.800 -0.020 0.000 1.213 211 D HN 0.011 nan 8.370 nan 0.000 0.478 212 V N 0.778 120.662 119.914 -0.050 0.000 2.588 212 V HA 0.639 4.759 4.120 -0.000 0.000 0.304 212 V C -0.239 175.815 176.094 -0.067 0.000 1.042 212 V CA -0.586 61.668 62.300 -0.077 0.000 0.877 212 V CB 1.771 33.614 31.823 0.035 0.000 0.996 212 V HN 0.742 nan 8.190 nan 0.000 0.425 213 S N 4.420 120.031 115.700 -0.147 0.000 2.656 213 S HA 0.825 5.295 4.470 -0.000 0.000 0.273 213 S C -1.231 173.327 174.600 -0.070 0.000 1.168 213 S CA -0.943 57.214 58.200 -0.073 0.000 0.817 213 S CB 1.961 65.144 63.200 -0.028 0.000 1.146 213 S HN 0.474 nan 8.310 nan 0.000 0.475 214 L N 1.321 122.564 121.223 0.034 0.000 2.386 214 L HA 0.680 5.020 4.340 -0.000 0.000 0.271 214 L C -1.638 175.341 176.870 0.181 0.000 0.993 214 L CA -0.798 54.123 54.840 0.134 0.000 0.819 214 L CB 1.833 44.058 42.059 0.277 0.000 1.294 214 L HN 0.593 nan 8.230 nan 0.000 0.414 215 L N 2.470 123.756 121.223 0.105 0.000 2.381 215 L HA 0.479 4.818 4.340 -0.000 0.000 0.274 215 L C -0.958 175.812 176.870 -0.168 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 4.176 122.922 119.070 -0.539 0.000 2.581 216 H HA 0.554 5.110 4.556 -0.000 0.000 0.308 216 H C -1.114 173.926 175.328 -0.480 0.000 1.040 216 H CA -0.129 55.428 56.048 -0.819 0.000 1.231 216 H CB 0.783 29.472 29.762 -1.787 0.000 1.396 216 H HN 0.576 nan 8.280 nan 0.000 0.467 217 K N 5.598 125.504 120.400 -0.824 0.000 2.375 217 K HA 0.389 4.709 4.320 -0.000 0.000 0.249 217 K C -2.723 173.517 176.600 -0.600 0.000 0.942 217 K CA -2.445 53.497 56.287 -0.574 0.000 0.806 217 K CB 1.835 34.105 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 0.337 177.500 177.300 -0.229 0.000 1.223 218 P CA -0.032 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 -1.995 112.461 114.554 -0.164 0.000 2.821 219 T HA -0.056 4.294 4.350 -0.000 0.000 0.267 219 T C 0.693 175.312 174.700 -0.134 0.000 1.046 219 T CA 1.312 63.333 62.100 -0.132 0.000 1.139 219 T CB -0.839 67.978 68.868 -0.086 0.000 0.871 219 T HN 0.337 nan 8.240 nan 0.000 0.454 220 T N 3.312 117.786 114.554 -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 -0.153 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 2.588 122.273 119.800 -0.191 0.000 2.615 221 Q HA 0.590 4.930 4.340 -0.000 0.000 0.298 221 Q C -1.087 174.789 176.000 -0.207 0.000 1.023 221 Q CA -1.193 54.484 55.803 -0.210 0.000 0.768 221 Q CB 1.332 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 2.747 123.172 120.570 -0.241 0.000 2.505 222 I HA -0.026 4.144 4.170 -0.000 0.000 0.287 222 I C 0.985 176.902 176.117 -0.334 0.000 1.104 222 I CA 0.165 61.333 61.300 -0.219 0.000 1.387 222 I CB 0.969 38.812 38.000 -0.262 0.000 1.404 222 I HN 0.861 nan 8.210 nan 0.000 0.528 223 S N 3.140 118.756 115.700 -0.140 0.000 2.486 223 S HA 0.114 4.584 4.470 -0.000 0.000 0.220 223 S C 0.232 174.938 174.600 0.176 0.000 1.011 223 S CA -0.096 58.054 58.200 -0.083 0.000 0.921 223 S CB 0.251 63.429 63.200 -0.036 0.000 0.785 223 S HN 0.756 nan 8.310 nan 0.000 0.517 224 D N -0.603 119.951 120.400 0.256 0.000 2.766 224 D HA 0.433 5.073 4.640 -0.000 0.000 0.244 224 D C -1.704 174.787 176.300 0.319 0.000 1.198 224 D CA -0.738 53.495 54.000 0.388 0.000 0.739 224 D CB 0.990 41.920 40.800 0.216 0.000 1.379 224 D HN 0.256 nan 8.370 nan 0.000 0.437 225 F N -0.337 119.620 119.950 0.011 0.000 2.678 225 F HA 0.734 5.261 4.527 -0.000 0.000 0.308 225 F C -1.516 174.228 175.800 -0.094 0.000 1.118 225 F CA -0.801 57.099 58.000 -0.167 0.000 0.959 225 F CB 1.417 40.405 39.000 -0.021 0.000 1.305 225 F HN 0.317 nan 8.300 nan 0.000 0.443 226 H N 0.902 119.973 119.070 0.002 0.000 2.768 226 H HA 0.804 5.360 4.556 -0.000 0.000 0.371 226 H C -1.374 173.937 175.328 -0.029 0.000 1.151 226 H CA -1.533 54.441 56.048 -0.122 0.000 1.165 226 H CB 2.604 32.313 29.762 -0.089 0.000 1.722 226 H HN 0.620 nan 8.280 nan 0.000 0.543 227 V N 1.062 121.017 119.914 0.070 0.000 2.769 227 V HA 0.831 4.951 4.120 -0.000 0.000 0.312 227 V C -0.465 175.606 176.094 -0.038 0.000 1.061 227 V CA -0.644 61.664 62.300 0.013 0.000 0.931 227 V CB 1.625 33.433 31.823 -0.025 0.000 1.010 227 V HN 0.985 nan 8.190 nan 0.000 0.433 228 A N 2.129 124.906 122.820 -0.070 0.000 2.547 228 A HA 0.866 5.185 4.320 -0.000 0.000 0.297 228 A C -0.438 177.057 177.584 -0.149 0.000 1.056 228 A CA -0.431 51.552 52.037 -0.089 0.000 0.688 228 A CB 2.056 21.027 19.000 -0.049 0.000 1.282 228 A HN 0.939 nan 8.150 nan 0.000 0.400 229 T N -0.132 114.323 114.554 -0.165 0.000 2.829 229 T HA 0.810 5.160 4.350 -0.000 0.000 0.280 229 T C -0.364 174.148 174.700 -0.312 0.000 0.999 229 T CA -0.706 61.227 62.100 -0.278 0.000 0.983 229 T CB 1.588 70.254 68.868 -0.338 0.000 0.968 229 T HN 0.704 nan 8.240 nan 0.000 0.446 230 R N 1.386 121.585 120.500 -0.501 0.000 2.750 230 R HA 0.734 5.074 4.340 -0.000 0.000 0.281 230 R C -1.424 174.458 176.300 -0.696 0.000 0.972 230 R CA -0.761 55.108 56.100 -0.385 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 0.570 120.520 119.950 -0.001 0.000 2.631 231 F HA 0.387 4.914 4.527 -0.000 0.000 0.328 231 F C 0.518 176.207 175.800 -0.184 0.000 1.067 231 F CA -1.112 56.838 58.000 -0.084 0.000 0.969 231 F CB 0.854 39.741 39.000 -0.188 0.000 1.332 231 F HN 0.465 nan 8.300 nan 0.000 0.490 232 N N 0.189 118.893 118.700 0.007 0.000 2.463 232 N HA 0.064 4.804 4.740 -0.000 0.000 0.270 232 N C 0.407 175.780 175.510 -0.227 0.000 1.205 232 N CA -0.161 52.843 53.050 -0.078 0.000 0.974 232 N CB 0.633 39.098 38.487 -0.038 0.000 1.197 232 N HN 0.730 nan 8.380 nan 0.000 0.504 233 D N -0.596 119.704 120.400 -0.167 0.000 2.254 233 D HA -0.272 4.368 4.640 -0.000 0.000 0.201 233 D C 0.373 176.535 176.300 -0.230 0.000 0.998 233 D CA 1.692 55.578 54.000 -0.189 0.000 0.885 233 D CB -0.361 40.395 40.800 -0.073 0.000 0.915 233 D HN 0.751 nan 8.370 nan 0.000 0.460 234 D N -1.946 118.361 120.400 -0.157 0.000 2.469 234 D HA 0.013 4.653 4.640 -0.000 0.000 0.215 234 D C 0.255 176.674 176.300 0.197 0.000 1.154 234 D CA -0.819 53.203 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 0.215 nan 8.370 nan 0.000 0.506 235 F N 0.465 120.470 119.950 0.092 0.000 2.988 235 F HA -0.283 4.244 4.527 -0.000 0.000 0.287 235 F C 1.650 177.522 175.800 0.120 0.000 0.781 235 F CA 0.721 58.793 58.000 0.120 0.000 1.221 235 F CB -2.473 36.501 39.000 -0.043 0.000 1.392 235 F HN 0.202 nan 8.300 nan 0.000 0.425 236 S N -0.352 115.455 115.700 0.179 0.000 2.528 236 S HA 0.183 4.653 4.470 -0.000 0.000 0.219 236 S C 0.646 175.299 174.600 0.089 0.000 0.985 236 S CA 0.062 58.336 58.200 0.123 0.000 0.914 236 S CB 0.387 63.633 63.200 0.077 0.000 0.776 236 S HN 0.349 nan 8.310 nan 0.000 0.526 237 R N 0.456 121.018 120.500 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 1.335 124.117 122.820 -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 2.156 21.012 19.000 -0.241 0.000 1.340 238 A HN 0.318 nan 8.150 nan 0.000 0.427 239 V N 1.326 121.120 119.914 -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 1.346 33.103 31.823 -0.110 0.000 1.001 239 V HN 0.801 nan 8.190 nan 0.000 0.424 240 L N 5.319 126.525 121.223 -0.029 0.000 2.276 240 L HA 0.605 4.945 4.340 -0.000 0.000 0.286 240 L C -0.027 176.807 176.870 -0.061 0.000 1.061 240 L CA 0.239 55.047 54.840 -0.052 0.000 0.807 240 L CB 1.037 43.090 42.059 -0.009 0.000 1.177 240 L HN 0.868 nan 8.230 nan 0.000 0.429 241 E N 4.843 125.001 120.200 -0.070 0.000 2.218 241 E HA 0.760 5.110 4.350 -0.000 0.000 0.263 241 E C -1.777 174.809 176.600 -0.024 0.000 0.879 241 E CA -0.817 55.555 56.400 -0.047 0.000 0.762 241 E CB 1.551 31.222 29.700 -0.050 0.000 1.166 241 E HN 0.832 nan 8.360 nan 0.000 0.415 242 A N 4.280 127.091 122.820 -0.014 0.000 2.343 242 A HA 0.472 4.792 4.320 -0.000 0.000 0.316 242 A C -0.891 176.685 177.584 -0.013 0.000 1.104 242 A CA -0.733 51.315 52.037 0.017 0.000 0.768 242 A CB 1.372 20.393 19.000 0.034 0.000 1.213 242 A HN 0.775 nan 8.150 nan 0.000 0.456 243 E N 2.210 122.401 120.200 -0.016 0.000 2.187 243 E HA 0.614 4.964 4.350 -0.000 0.000 0.268 243 E C -1.669 174.859 176.600 -0.120 0.000 0.896 243 E CA -0.528 55.819 56.400 -0.088 0.000 0.766 243 E CB 1.690 31.332 29.700 -0.097 0.000 1.142 243 E HN 0.383 nan 8.360 nan 0.000 0.408 244 V N 3.984 123.833 119.914 -0.108 0.000 2.604 244 V HA 0.357 4.476 4.120 -0.000 0.000 0.305 244 V C -0.572 175.528 176.094 0.011 0.000 1.043 244 V CA -0.827 61.442 62.300 -0.052 0.000 0.888 244 V CB 1.694 33.458 31.823 -0.097 0.000 0.995 244 V HN 0.747 nan 8.190 nan 0.000 0.429 245 Q N 4.170 124.012 119.800 0.069 0.000 2.365 245 Q HA 0.833 5.173 4.340 -0.000 0.000 0.269 245 Q C -0.830 175.256 176.000 0.142 0.000 1.061 245 Q CA -0.823 55.057 55.803 0.129 0.000 0.816 245 Q CB 2.820 31.571 28.738 0.022 0.000 1.325 245 Q HN 0.856 nan 8.270 nan 0.000 0.446 246 M N -0.880 118.782 119.600 0.103 0.000 2.662 246 M HA 0.776 5.256 4.480 -0.000 0.000 0.310 246 M C -1.313 174.895 176.300 -0.154 0.000 1.204 246 M CA -0.504 54.740 55.300 -0.094 0.000 0.891 246 M CB 2.114 34.481 32.600 -0.388 0.000 1.732 246 M HN 0.550 nan 8.290 nan 0.000 0.467 247 C N 1.515 120.713 119.300 -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 1.305 nan 8.230 nan 0.000 0.485 248 G N 3.171 111.880 108.800 -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 0.444 120.556 120.200 -0.146 0.000 2.044 249 E HA 0.587 4.937 4.350 -0.000 0.000 0.282 249 E C 0.339 176.825 176.600 -0.190 0.000 1.031 249 E CA -0.401 55.920 56.400 -0.131 0.000 0.824 249 E CB 0.603 30.253 29.700 -0.084 0.000 1.076 249 E HN 0.524 nan 8.360 nan 0.000 0.395 250 L N 5.307 126.416 121.223 -0.190 0.000 2.410 250 L HA 0.321 4.661 4.340 -0.000 0.000 0.273 250 L C -0.003 176.748 176.870 -0.198 0.000 1.144 250 L CA 0.116 54.813 54.840 -0.239 0.000 0.863 250 L CB 0.212 42.148 42.059 -0.204 0.000 1.140 250 L HN 0.487 nan 8.230 nan 0.000 0.463 251 R N 2.577 122.902 120.500 -0.291 0.000 2.626 251 R HA 0.141 4.481 4.340 -0.000 0.000 0.274 251 R C -0.069 176.039 176.300 -0.320 0.000 1.031 251 R CA -0.620 55.304 56.100 -0.293 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 1.384 121.730 120.400 -0.090 0.000 2.384 252 D HA -0.157 4.483 4.640 -0.000 0.000 0.222 252 D C 0.860 177.179 176.300 0.032 0.000 0.976 252 D CA 1.165 55.162 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 0.392 4.942 4.550 -0.000 0.000 0.268 253 Y C 0.857 176.754 175.900 -0.006 0.000 1.177 253 Y CA -0.948 57.154 58.100 0.003 0.000 1.265 253 Y CB -0.277 38.186 38.460 0.006 0.000 1.103 253 Y HN -0.236 nan 8.280 nan 0.000 0.522 254 L N 2.934 123.947 121.223 -0.349 0.000 2.397 254 L HA 0.392 4.732 4.340 -0.000 0.000 0.271 254 L C 0.189 176.995 176.870 -0.106 0.000 1.148 254 L CA -0.188 54.511 54.840 -0.235 0.000 0.825 254 L CB 0.624 42.543 42.059 -0.234 0.000 1.117 254 L HN 0.242 nan 8.230 nan 0.000 0.456 255 R N 2.041 122.385 120.500 -0.261 0.000 2.799 255 R HA 0.761 5.101 4.340 -0.000 0.000 0.270 255 R C -1.503 174.490 176.300 -0.511 0.000 1.010 255 R CA -0.840 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 0.662 120.375 119.914 -0.335 0.000 2.760 256 V HA 0.517 4.637 4.120 -0.000 0.000 0.309 256 V C -0.612 175.472 176.094 -0.016 0.000 1.077 256 V CA -0.627 61.554 62.300 -0.198 0.000 0.910 256 V CB 2.409 34.039 31.823 -0.323 0.000 1.008 256 V HN 0.783 nan 8.190 nan 0.000 0.424 257 T N 3.439 118.054 114.554 0.102 0.000 2.881 257 T HA 0.672 5.022 4.350 -0.000 0.000 0.290 257 T C -0.850 173.861 174.700 0.019 0.000 1.000 257 T CA -0.492 61.662 62.100 0.089 0.000 0.978 257 T CB 1.863 70.820 68.868 0.147 0.000 0.997 257 T HN 0.370 nan 8.240 nan 0.000 0.443 258 V N 3.297 123.205 119.914 -0.009 0.000 2.531 258 V HA 0.696 4.816 4.120 -0.000 0.000 0.301 258 V C -0.336 175.750 176.094 -0.013 0.000 1.034 258 V CA -0.838 61.453 62.300 -0.015 0.000 0.865 258 V CB 1.811 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 5.196 120.911 115.700 0.025 0.000 2.526 259 S HA 0.841 5.311 4.470 -0.000 0.000 0.293 259 S C -1.071 173.531 174.600 0.004 0.000 1.092 259 S CA -0.748 57.431 58.200 -0.036 0.000 0.980 259 S CB 2.321 65.544 63.200 0.040 0.000 1.048 259 S HN 0.459 nan 8.310 nan 0.000 0.483 260 L N 2.223 123.337 121.223 -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 -0.440 54.376 54.840 -0.040 0.000 0.815 260 L CB 0.733 42.783 42.059 -0.015 0.000 1.247 260 L HN 0.881 nan 8.230 nan 0.000 0.421 261 W N 3.083 124.483 121.300 0.166 0.000 2.819 261 W HA 0.560 5.220 4.660 -0.000 0.000 0.337 261 W C -0.553 176.098 176.519 0.220 0.000 1.077 261 W CA -0.585 56.851 57.345 0.153 0.000 1.226 261 W CB 1.571 31.073 29.460 0.070 0.000 1.419 261 W HN 0.420 nan 8.180 nan 0.000 0.502 262 Q N 2.419 122.460 119.800 0.402 0.000 2.721 262 Q HA 0.490 4.830 4.340 -0.000 0.000 0.257 262 Q C 0.732 176.815 176.000 0.139 0.000 1.070 262 Q CA 0.638 56.532 55.803 0.152 0.000 0.910 262 Q CB 0.318 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 0.778 175.753 174.900 0.124 0.000 1.186 263 G CA 0.403 45.547 45.100 0.074 0.000 0.965 263 G HN 0.518 nan 8.290 nan 0.000 0.548 264 E N 1.376 121.650 120.200 0.123 0.000 2.230 264 E HA 0.193 4.543 4.350 -0.000 0.000 0.192 264 E C 1.506 178.313 176.600 0.345 0.000 0.987 264 E CA 1.033 57.522 56.400 0.149 0.000 0.841 264 E CB -0.308 29.442 29.700 0.084 0.000 0.783 264 E HN 0.492 nan 8.360 nan 0.000 0.481 265 T N 1.252 115.992 114.554 0.310 0.000 2.856 265 T HA 0.175 4.525 4.350 -0.000 0.000 0.292 265 T C 0.044 174.862 174.700 0.196 0.000 0.980 265 T CA -0.365 61.888 62.100 0.256 0.000 1.091 265 T CB 1.448 70.382 68.868 0.110 0.000 0.936 265 T HN -0.061 nan 8.240 nan 0.000 0.503 266 Q N 2.758 122.402 119.800 -0.260 0.000 2.322 266 Q HA 0.286 4.626 4.340 -0.000 0.000 0.256 266 Q C 0.447 176.178 176.000 -0.449 0.000 0.960 266 Q CA -0.451 54.758 55.803 -0.991 0.000 0.934 266 Q CB 0.924 28.686 28.738 -1.626 0.000 1.200 266 Q HN 0.618 nan 8.270 nan 0.000 0.435 267 V N 1.847 121.556 119.914 -0.341 0.000 2.825 267 V HA 0.379 4.499 4.120 -0.000 0.000 0.246 267 V C 0.506 176.495 176.094 -0.176 0.000 1.068 267 V CA 0.812 63.020 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 0.743 5.063 4.320 -0.000 0.000 0.296 268 A C -0.809 176.652 177.584 -0.206 0.000 1.056 268 A CA -0.003 51.922 52.037 -0.187 0.000 0.693 268 A CB 1.661 20.588 19.000 -0.121 0.000 1.278 268 A HN 0.055 nan 8.150 nan 0.000 0.408 269 S N -0.953 114.657 115.700 -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 1.989 65.114 63.200 -0.125 0.000 1.116 269 S HN 2.264 nan 8.310 nan 0.000 0.472 270 G N 1.163 109.930 108.800 -0.055 0.000 2.759 270 G HA2 0.590 4.550 3.960 -0.000 0.000 0.297 270 G HA3 0.590 4.550 3.960 -0.000 0.000 0.297 270 G C -1.517 173.366 174.900 -0.028 0.000 1.434 270 G CA -0.361 44.713 45.100 -0.044 0.000 0.980 270 G HN 0.665 nan 8.290 nan 0.000 0.531 271 T N -0.133 114.408 114.554 -0.021 0.000 2.893 271 T HA 0.903 5.253 4.350 -0.000 0.000 0.293 271 T C -0.197 174.482 174.700 -0.034 0.000 1.027 271 T CA 0.146 62.245 62.100 -0.001 0.000 0.988 271 T CB 1.838 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 3.149 125.926 122.820 -0.072 0.000 2.566 272 A HA 0.905 5.225 4.320 -0.000 0.000 0.290 272 A C -3.243 174.244 177.584 -0.161 0.000 1.071 272 A CA -1.385 50.591 52.037 -0.102 0.000 0.658 272 A CB 1.115 20.044 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 -0.740 176.492 177.300 -0.114 0.000 1.293 273 P CA -0.491 62.561 63.100 -0.081 0.000 0.897 273 P CB 0.515 32.210 31.700 -0.009 0.000 1.166 274 F N 0.609 120.509 119.950 -0.083 0.000 2.535 274 F HA 0.428 4.955 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 -0.267 38.690 39.000 -0.072 0.000 1.167 274 F HN 0.624 nan 8.300 nan 0.000 0.597 275 G N 0.836 109.754 108.800 0.197 0.000 3.438 275 G HA2 0.380 4.340 3.960 -0.000 0.000 0.684 275 G HA3 0.380 4.340 3.960 -0.000 0.000 0.684 275 G C -0.471 174.469 174.900 0.067 0.000 1.192 275 G CA -0.781 44.390 45.100 0.119 0.000 1.013 275 G HN 1.060 nan 8.290 nan 0.000 0.530 276 G N 0.655 109.511 108.800 0.094 0.000 2.537 276 G HA2 0.755 4.715 3.960 -0.000 0.000 0.297 276 G HA3 0.755 4.715 3.960 -0.000 0.000 0.297 276 G C 0.073 175.005 174.900 0.054 0.000 1.310 276 G CA -0.332 44.815 45.100 0.079 0.000 1.027 276 G HN 0.888 nan 8.290 nan 0.000 0.505 277 E N -0.849 119.380 120.200 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 0.816 30.528 29.700 0.020 0.000 1.057 277 E HN 0.220 nan 8.360 nan 0.000 0.432 278 I N 1.616 122.194 120.570 0.013 0.000 2.710 278 I HA -0.055 4.115 4.170 -0.000 0.000 0.286 278 I C 1.037 177.159 176.117 0.009 0.000 1.181 278 I CA 0.684 61.985 61.300 0.001 0.000 1.430 278 I CB 0.187 38.184 38.000 -0.006 0.000 1.367 278 I HN 0.651 nan 8.210 nan 0.000 0.577 279 I N 0.900 121.468 120.570 -0.003 0.000 4.244 279 I HA 0.426 4.596 4.170 -0.000 0.000 0.318 279 I C -0.175 175.940 176.117 -0.002 0.000 1.282 279 I CA 0.173 61.481 61.300 0.014 0.000 1.276 279 I CB 0.357 38.389 38.000 0.054 0.000 1.183 279 I HN 0.607 nan 8.210 nan 0.000 0.431 280 D N -0.373 120.013 120.400 -0.024 0.000 2.946 280 D HA 0.189 4.829 4.640 -0.000 0.000 0.337 280 D C 0.372 176.656 176.300 -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 41.129 40.800 -0.021 0.000 1.440 280 D HN -0.083 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 -0.080 4.269 4.350 -0.000 0.000 0.196 281 E C 1.522 178.103 176.600 -0.031 0.000 0.993 281 E CA 1.133 57.519 56.400 -0.023 0.000 0.819 281 E CB -0.051 29.639 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 0.727 56.793 56.100 -0.056 0.000 1.046 282 R CB 0.765 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 -0.376 108.382 108.800 -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 44.284 45.100 -0.117 0.000 0.982 284 G HN 0.735 nan 8.290 nan 0.000 0.575 285 Y N 0.837 121.151 120.300 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 1.830 124.736 122.820 0.142 0.000 1.968 286 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 286 A C 1.324 179.006 177.584 0.162 0.000 1.169 286 A CA 1.468 53.572 52.037 0.111 0.000 0.638 286 A CB -0.241 18.780 19.000 0.036 0.000 0.812 286 A HN 0.788 nan 8.150 nan 0.000 0.446 287 D N -0.600 119.901 120.400 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 0.359 0.000 1.170 287 D CA -0.073 53.990 54.000 0.105 0.000 0.827 287 D CB -0.085 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 0.097 0.000 1.027 288 R CA -1.181 55.089 56.100 0.284 0.000 0.928 288 R CB 2.870 33.214 30.300 0.073 0.000 1.228 288 R HN -0.014 nan 8.270 nan 0.000 0.469 289 V N 0.120 119.958 119.914 -0.125 0.000 3.077 289 V HA 0.501 4.621 4.120 -0.000 0.000 0.299 289 V C -1.677 174.312 176.094 -0.174 0.000 1.276 289 V CA -0.256 61.906 62.300 -0.230 0.000 0.993 289 V CB 2.755 34.269 31.823 -0.516 0.000 1.076 289 V HN 0.819 nan 8.190 nan 0.000 0.434 290 T N 6.919 121.400 114.554 -0.123 0.000 2.841 290 T HA 0.744 5.094 4.350 -0.000 0.000 0.285 290 T C -1.055 173.594 174.700 -0.084 0.000 0.991 290 T CA -0.270 61.777 62.100 -0.089 0.000 0.966 290 T CB 1.225 70.063 68.868 -0.051 0.000 0.962 290 T HN 0.482 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 0.383 177.222 176.870 -0.052 0.000 1.013 291 L CA -0.707 54.093 54.840 -0.068 0.000 0.816 291 L CB 1.302 43.317 42.059 -0.074 0.000 1.287 291 L HN 0.396 nan 8.230 nan 0.000 0.435 292 R N 2.733 123.203 120.500 -0.050 0.000 2.435 292 R HA 0.635 4.975 4.340 -0.000 0.000 0.308 292 R C -1.483 174.788 176.300 -0.048 0.000 0.975 292 R CA -0.599 55.472 56.100 -0.048 0.000 0.867 292 R CB 1.363 31.635 30.300 -0.046 0.000 1.171 292 R HN 0.475 nan 8.270 nan 0.000 0.470 293 L N 2.765 123.960 121.223 -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 -0.914 53.897 54.840 -0.049 0.000 0.810 293 L CB 1.426 43.457 42.059 -0.046 0.000 1.240 293 L HN 0.471 nan 8.230 nan 0.000 0.427 294 N N 2.021 120.686 118.700 -0.059 0.000 2.473 294 N HA 0.481 5.221 4.740 -0.000 0.000 0.291 294 N C -0.985 174.475 175.510 -0.083 0.000 1.083 294 N CA -0.336 52.674 53.050 -0.066 0.000 0.951 294 N CB 2.897 41.349 38.487 -0.059 0.000 1.164 294 N HN 0.208 nan 8.380 nan 0.000 0.480 295 V N 1.863 121.712 119.914 -0.108 0.000 2.525 295 V HA 0.200 4.320 4.120 -0.000 0.000 0.299 295 V C -0.150 175.862 176.094 -0.136 0.000 1.034 295 V CA -0.852 61.353 62.300 -0.159 0.000 0.863 295 V CB 2.154 33.792 31.823 -0.308 0.000 0.999 295 V HN 0.521 nan 8.190 nan 0.000 0.423 296 E N 3.623 123.766 120.200 -0.095 0.000 2.301 296 E HA 0.292 4.642 4.350 -0.000 0.000 0.275 296 E C -0.017 176.552 176.600 -0.050 0.000 1.030 296 E CA -0.352 56.014 56.400 -0.056 0.000 0.852 296 E CB 0.724 30.404 29.700 -0.034 0.000 1.060 296 E HN 0.693 nan 8.360 nan 0.000 0.401 297 N N 1.309 120.000 118.700 -0.015 0.000 2.699 297 N HA -0.131 4.609 4.740 -0.000 0.000 0.256 297 N C -2.353 173.150 175.510 -0.012 0.000 0.993 297 N CA 0.395 53.450 53.050 0.009 0.000 0.759 297 N CB -1.405 37.091 38.487 0.016 0.000 0.906 297 N HN 0.330 nan 8.380 nan 0.000 0.541 298 P HA 0.104 nan 4.420 nan 0.000 0.270 298 P C 0.110 177.415 177.300 0.008 0.000 1.223 298 P CA 0.229 63.210 63.100 -0.199 0.000 0.785 298 P CB 0.706 32.047 31.700 -0.599 0.000 0.923 299 K N 1.401 121.894 120.400 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 -0.312 56.079 56.287 0.173 0.000 0.888 299 K CB 0.190 32.764 32.500 0.125 0.000 1.091 299 K HN 0.368 nan 8.250 nan 0.000 0.467 300 L N 2.715 124.013 121.223 0.126 0.000 2.395 300 L HA 0.346 4.686 4.340 -0.000 0.000 0.269 300 L C -0.065 176.881 176.870 0.127 0.000 1.133 300 L CA -0.725 54.194 54.840 0.132 0.000 0.812 300 L CB 0.498 42.474 42.059 -0.138 0.000 1.125 300 L HN 0.618 nan 8.230 nan 0.000 0.452 301 W N 3.097 124.424 121.300 0.044 0.000 2.381 301 W HA 0.504 5.164 4.660 -0.000 0.000 0.329 301 W C -0.022 176.443 176.519 -0.089 0.000 1.157 301 W CA 0.105 57.458 57.345 0.013 0.000 1.240 301 W CB 1.387 30.904 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 0.560 5.030 4.470 -0.000 0.000 0.270 302 S C 0.027 173.840 174.600 -1.312 0.000 1.145 302 S CA -0.344 57.290 58.200 -0.944 0.000 0.825 302 S CB 0.898 63.812 63.200 -0.477 0.000 1.107 302 S HN 1.146 nan 8.310 nan 0.000 0.461 303 A N 0.801 123.056 122.820 -0.942 0.000 2.019 303 A HA 0.030 4.350 4.320 -0.000 0.000 0.219 303 A C 1.776 179.032 177.584 -0.547 0.000 1.164 303 A CA 1.685 53.151 52.037 -0.952 0.000 0.644 303 A CB -1.028 17.227 19.000 -1.242 0.000 0.805 303 A HN 0.892 nan 8.150 nan 0.000 0.449 304 E N -0.867 119.145 120.200 -0.312 0.000 2.072 304 E HA -0.003 4.347 4.350 -0.000 0.000 0.191 304 E C -0.218 176.223 176.600 -0.265 0.000 0.985 304 E CA 0.824 57.098 56.400 -0.210 0.000 0.801 304 E CB -0.028 29.680 29.700 0.015 0.000 0.750 304 E HN 0.620 nan 8.360 nan 0.000 0.452 305 I N 0.914 121.277 120.570 -0.346 0.000 2.576 305 I HA 0.142 4.312 4.170 -0.000 0.000 0.279 305 I C -2.615 173.221 176.117 -0.469 0.000 1.114 305 I CA -1.887 59.230 61.300 -0.305 0.000 1.076 305 I CB 2.250 40.128 38.000 -0.203 0.000 1.212 305 I HN -0.234 nan 8.210 nan 0.000 0.472 306 P HA 0.076 nan 4.420 nan 0.000 0.231 306 P C -0.496 176.775 177.300 -0.047 0.000 1.756 306 P CA -0.140 62.617 63.100 -0.571 0.000 0.990 306 P CB -0.371 31.225 31.700 -0.174 0.000 1.973 307 N N 1.577 120.266 118.700 -0.018 0.000 2.447 307 N HA 0.104 4.844 4.740 -0.000 0.000 0.263 307 N C 0.104 175.816 175.510 0.336 0.000 1.226 307 N CA 0.442 53.561 53.050 0.116 0.000 0.906 307 N CB 0.745 39.288 38.487 0.092 0.000 1.060 307 N HN 0.256 nan 8.380 nan 0.000 0.468 308 L N 2.195 123.529 121.223 0.185 0.000 2.323 308 L HA 0.527 4.867 4.340 -0.000 0.000 0.265 308 L C -0.844 176.086 176.870 0.099 0.000 1.012 308 L CA -0.873 54.111 54.840 0.240 0.000 0.820 308 L CB 1.213 43.388 42.059 0.193 0.000 1.334 308 L HN 0.408 nan 8.230 nan 0.000 0.427 309 Y N -0.160 120.268 120.300 0.212 0.000 2.605 309 Y HA 0.578 5.128 4.550 -0.000 0.000 0.343 309 Y C -0.362 175.643 175.900 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 -1.535 174.955 176.300 0.316 0.000 0.961 310 R CA -0.678 55.581 56.100 0.266 0.000 0.881 310 R CB 1.207 31.584 30.300 0.129 0.000 1.159 310 R HN 0.799 nan 8.270 nan 0.000 0.450 311 A N 3.542 126.490 122.820 0.214 0.000 2.355 311 A HA 0.617 4.937 4.320 -0.000 0.000 0.317 311 A C -1.199 176.457 177.584 0.120 0.000 1.094 311 A CA -0.655 51.499 52.037 0.196 0.000 0.764 311 A CB 1.601 20.695 19.000 0.156 0.000 1.230 311 A HN 0.447 nan 8.150 nan 0.000 0.448 312 V N 2.018 122.008 119.914 0.126 0.000 2.487 312 V HA 0.517 4.637 4.120 -0.000 0.000 0.298 312 V C -0.438 175.642 176.094 -0.024 0.000 1.028 312 V CA -0.692 61.624 62.300 0.027 0.000 0.860 312 V CB 1.443 33.291 31.823 0.041 0.000 0.991 312 V HN 0.597 nan 8.190 nan 0.000 0.427 313 V N 4.806 124.644 119.914 -0.128 0.000 2.313 313 V HA 0.432 4.552 4.120 -0.000 0.000 0.278 313 V C -0.030 176.009 176.094 -0.093 0.000 1.017 313 V CA -0.483 61.713 62.300 -0.174 0.000 0.823 313 V CB 1.007 32.573 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 0.565 4.915 4.350 -0.000 0.000 0.266 314 E C -1.066 175.638 176.600 0.173 0.000 0.889 314 E CA -1.055 55.392 56.400 0.079 0.000 0.756 314 E CB 2.710 32.465 29.700 0.091 0.000 1.131 314 E HN 0.405 nan 8.360 nan 0.000 0.411 315 L N 5.450 126.739 121.223 0.110 0.000 2.255 315 L HA 0.284 4.624 4.340 -0.000 0.000 0.289 315 L C -0.694 176.243 176.870 0.112 0.000 1.046 315 L CA 0.057 54.931 54.840 0.056 0.000 0.816 315 L CB -0.234 41.831 42.059 0.009 0.000 1.197 315 L HN 0.699 nan 8.230 nan 0.000 0.427 316 H N 1.169 120.256 119.070 0.028 0.000 2.942 316 H HA 0.611 5.167 4.556 -0.000 0.000 0.316 316 H C -0.911 174.452 175.328 0.059 0.000 1.323 316 H CA -0.328 55.743 56.048 0.038 0.000 1.144 316 H CB 0.887 30.669 29.762 0.034 0.000 1.866 316 H HN 0.462 nan 8.280 nan 0.000 0.545 317 T N -2.854 111.828 114.554 0.213 0.000 2.881 317 T HA 0.533 4.883 4.350 -0.000 0.000 0.278 317 T C 1.465 176.335 174.700 0.284 0.000 0.982 317 T CA -0.172 62.061 62.100 0.221 0.000 0.989 317 T CB 1.387 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 1.037 123.999 122.820 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 54.246 52.037 0.191 0.000 0.631 318 A CB -1.425 17.671 19.000 0.159 0.000 0.814 318 A HN 1.046 nan 8.150 nan 0.000 0.446 319 D N -2.459 118.026 120.400 0.141 0.000 2.182 319 D HA 0.206 4.846 4.640 -0.000 0.000 0.201 319 D C 1.263 177.615 176.300 0.086 0.000 0.986 319 D CA 1.485 55.537 54.000 0.088 0.000 0.847 319 D CB -0.260 40.573 40.800 0.055 0.000 0.942 319 D HN 0.805 nan 8.370 nan 0.000 0.467 320 G N -1.476 107.403 108.800 0.132 0.000 2.227 320 G HA2 -0.185 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 0.194 175.129 174.900 0.060 0.000 1.006 320 G CA -0.024 45.115 45.100 0.065 0.000 0.684 320 G HN 0.347 nan 8.290 nan 0.000 0.489 321 T N 1.918 116.541 114.554 0.115 0.000 2.814 321 T HA 0.473 4.823 4.350 -0.000 0.000 0.297 321 T C 0.247 175.034 174.700 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 4.977 126.260 121.223 0.099 0.000 2.331 322 L HA 0.341 4.681 4.340 -0.000 0.000 0.278 322 L C 0.584 177.512 176.870 0.097 0.000 1.106 322 L CA 0.131 55.041 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 3.118 123.746 120.570 0.096 0.000 2.494 323 I HA 0.158 4.328 4.170 -0.000 0.000 0.250 323 I C 0.623 176.753 176.117 0.021 0.000 1.112 323 I CA 0.929 62.255 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 -0.730 119.488 120.200 0.030 0.000 2.411 324 E HA 0.682 5.032 4.350 -0.000 0.000 0.279 324 E C -1.622 175.004 176.600 0.043 0.000 1.132 324 E CA -1.038 55.377 56.400 0.024 0.000 0.876 324 E CB 0.950 30.626 29.700 -0.040 0.000 1.335 324 E HN -0.071 nan 8.360 nan 0.000 0.436 325 A N 0.915 123.789 122.820 0.090 0.000 2.539 325 A HA 0.754 5.074 4.320 -0.000 0.000 0.296 325 A C -1.272 176.439 177.584 0.212 0.000 1.073 325 A CA -0.695 51.402 52.037 0.100 0.000 0.700 325 A CB 1.971 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 -0.535 119.720 120.200 0.091 0.000 2.393 326 E HA 0.783 5.133 4.350 -0.000 0.000 0.273 326 E C -0.625 175.991 176.600 0.026 0.000 0.918 326 E CA -0.472 56.040 56.400 0.187 0.000 0.773 326 E CB 2.486 32.225 29.700 0.065 0.000 1.275 326 E HN 1.190 nan 8.360 nan 0.000 0.451 327 A N 0.176 123.126 122.820 0.217 0.000 2.588 327 A HA 0.862 5.182 4.320 -0.000 0.000 0.290 327 A C -1.158 176.606 177.584 0.299 0.000 1.136 327 A CA -0.323 51.777 52.037 0.105 0.000 0.681 327 A CB 1.110 20.040 19.000 -0.116 0.000 1.282 327 A HN 0.949 nan 8.150 nan 0.000 0.421 328 C N -0.785 118.649 119.300 0.223 0.000 3.303 328 C HA 0.689 5.149 4.460 -0.000 0.000 0.340 328 C C -1.628 173.443 174.990 0.136 0.000 1.274 328 C CA -0.999 58.142 59.018 0.204 0.000 1.234 328 C CB 0.800 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 0.095 0.000 2.302 329 D HA 0.542 5.182 4.640 -0.000 0.000 0.248 329 D C -0.475 175.859 176.300 0.056 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 0.750 120.727 119.914 0.105 0.000 2.656 330 V HA 0.648 4.768 4.120 -0.000 0.000 0.307 330 V C 0.380 176.521 176.094 0.078 0.000 1.051 330 V CA -0.698 61.611 62.300 0.016 0.000 0.893 330 V CB 2.183 33.999 31.823 -0.013 0.000 0.999 330 V HN 0.667 nan 8.190 nan 0.000 0.426 331 G N 2.767 111.502 108.800 -0.108 0.000 2.609 331 G HA2 0.639 4.599 3.960 -0.000 0.000 0.308 331 G HA3 0.639 4.599 3.960 -0.000 0.000 0.308 331 G C -1.257 173.633 174.900 -0.017 0.000 1.369 331 G CA -0.407 44.704 45.100 0.019 0.000 0.958 331 G HN 0.404 nan 8.290 nan 0.000 0.499 332 F N 2.277 122.411 119.950 0.305 0.000 2.413 332 F HA 0.562 5.089 4.527 -0.000 0.000 0.359 332 F C 0.941 176.967 175.800 0.376 0.000 1.122 332 F CA -0.254 57.976 58.000 0.383 0.000 1.160 332 F CB 1.093 40.343 39.000 0.417 0.000 1.146 332 F HN 0.534 nan 8.300 nan 0.000 0.514 333 R N 1.235 122.022 120.500 0.480 0.000 2.664 333 R HA 0.483 4.823 4.340 -0.000 0.000 0.266 333 R C -1.721 174.720 176.300 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 31.988 30.300 0.251 0.000 1.254 333 R HN 0.467 nan 8.270 nan 0.000 0.465 334 E N 2.020 122.263 120.200 0.071 0.000 2.199 334 E HA 0.462 4.812 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 55.517 56.400 0.172 0.000 0.759 334 E CB 2.119 31.970 29.700 0.252 0.000 1.148 334 E HN 0.419 nan 8.360 nan 0.000 0.412 335 V N 5.525 125.498 119.914 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 1.127 32.963 31.823 0.021 0.000 0.987 335 V HN 0.749 nan 8.190 nan 0.000 0.436 336 R N 4.421 124.952 120.500 0.052 0.000 2.680 336 R HA 0.691 5.031 4.340 -0.000 0.000 0.269 336 R C -2.008 174.315 176.300 0.038 0.000 1.026 336 R CA -0.869 55.264 56.100 0.054 0.000 0.889 336 R CB 1.715 32.059 30.300 0.073 0.000 1.241 336 R HN 0.509 nan 8.270 nan 0.000 0.463 337 I N 1.967 122.560 120.570 0.037 0.000 2.312 337 I HA 0.305 4.475 4.170 -0.000 0.000 0.290 337 I C -0.513 175.622 176.117 0.031 0.000 1.008 337 I CA -0.279 61.037 61.300 0.028 0.000 1.226 337 I CB 1.617 39.635 38.000 0.030 0.000 1.371 337 I HN 0.704 nan 8.210 nan 0.000 0.468 338 E N 6.438 126.653 120.200 0.025 0.000 2.263 338 E HA 0.232 4.582 4.350 -0.000 0.000 0.268 338 E C -0.248 176.363 176.600 0.018 0.000 0.884 338 E CA -0.638 55.778 56.400 0.027 0.000 0.766 338 E CB 1.077 30.797 29.700 0.034 0.000 1.196 338 E HN 0.528 nan 8.360 nan 0.000 0.416 339 N N 3.369 122.080 118.700 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 -2.202 106.602 108.800 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 -0.072 174.823 174.900 -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 -0.022 121.197 121.223 -0.007 0.000 2.362 341 L HA 0.740 5.080 4.340 -0.000 0.000 0.271 341 L C -0.050 176.811 176.870 -0.016 0.000 1.002 341 L CA -1.351 53.478 54.840 -0.018 0.000 0.818 341 L CB 1.902 43.950 42.059 -0.019 0.000 1.298 341 L HN 0.089 nan 8.230 nan 0.000 0.420 342 L N 3.980 125.182 121.223 -0.035 0.000 2.278 342 L HA 0.502 4.842 4.340 -0.000 0.000 0.287 342 L C -0.914 175.933 176.870 -0.038 0.000 1.072 342 L CA 0.325 55.144 54.840 -0.035 0.000 0.819 342 L CB 0.479 42.504 42.059 -0.056 0.000 1.176 342 L HN 0.389 nan 8.230 nan 0.000 0.435 343 L N 5.942 127.157 121.223 -0.012 0.000 2.342 343 L HA 0.578 4.918 4.340 -0.000 0.000 0.271 343 L C -0.808 176.067 176.870 0.009 0.000 1.008 343 L CA -0.760 54.082 54.840 0.003 0.000 0.818 343 L CB 1.989 44.071 42.059 0.038 0.000 1.296 343 L HN 0.574 nan 8.230 nan 0.000 0.427 344 L N 3.314 124.552 121.223 0.024 0.000 2.372 344 L HA 0.482 4.822 4.340 -0.000 0.000 0.274 344 L C -0.417 176.495 176.870 0.069 0.000 0.988 344 L CA -0.258 54.609 54.840 0.044 0.000 0.833 344 L CB 0.974 43.050 42.059 0.028 0.000 1.236 344 L HN 0.659 nan 8.230 nan 0.000 0.410 345 N N 4.111 122.758 118.700 -0.087 0.000 2.716 345 N HA -0.223 4.517 4.740 -0.000 0.000 0.250 345 N C 0.817 176.124 175.510 -0.338 0.000 1.033 345 N CA 1.404 54.167 53.050 -0.478 0.000 0.727 345 N CB -1.071 37.013 38.487 -0.673 0.000 0.950 345 N HN 1.153 nan 8.380 nan 0.000 0.541 346 G N -2.157 106.666 108.800 0.038 0.000 2.284 346 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.230 346 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.230 346 G C 0.019 174.970 174.900 0.084 0.000 1.021 346 G CA 0.671 45.858 45.100 0.146 0.000 0.619 346 G HN 0.478 nan 8.290 nan 0.000 0.510 347 K N 1.232 121.671 120.400 0.065 0.000 2.139 347 K HA 0.598 4.917 4.320 -0.000 0.000 0.243 347 K C -3.041 173.546 176.600 -0.023 0.000 0.983 347 K CA -2.010 54.271 56.287 -0.011 0.000 0.890 347 K CB 2.211 34.629 32.500 -0.136 0.000 1.090 347 K HN 0.119 nan 8.250 nan 0.000 0.445 348 P HA 0.314 nan 4.420 nan 0.000 0.297 348 P C -0.239 177.002 177.300 -0.097 0.000 1.331 348 P CA -0.377 62.683 63.100 -0.067 0.000 0.803 348 P CB 0.687 32.349 31.700 -0.063 0.000 0.929 349 L N 3.407 124.567 121.223 -0.106 0.000 2.466 349 L HA 0.348 4.688 4.340 -0.000 0.000 0.257 349 L C 0.465 177.256 176.870 -0.132 0.000 1.189 349 L CA -0.619 54.146 54.840 -0.126 0.000 0.813 349 L CB 0.429 42.379 42.059 -0.183 0.000 1.118 349 L HN 0.234 nan 8.230 nan 0.000 0.471 350 L N 3.113 124.271 121.223 -0.108 0.000 2.485 350 L HA 0.398 4.738 4.340 -0.000 0.000 0.260 350 L C -0.606 176.211 176.870 -0.090 0.000 0.998 350 L CA -0.270 54.493 54.840 -0.128 0.000 0.883 350 L CB 0.865 42.880 42.059 -0.074 0.000 1.196 350 L HN 0.213 nan 8.230 nan 0.000 0.443 351 I N 4.315 124.765 120.570 -0.199 0.000 2.505 351 I HA 0.147 4.317 4.170 -0.000 0.000 0.287 351 I C 0.646 176.694 176.117 -0.115 0.000 1.104 351 I CA 0.315 61.501 61.300 -0.190 0.000 1.387 351 I CB 0.287 38.048 38.000 -0.397 0.000 1.404 351 I HN 0.532 nan 8.210 nan 0.000 0.528 352 R N 4.789 125.302 120.500 0.022 0.000 2.937 352 R HA 0.466 4.806 4.340 -0.000 0.000 0.264 352 R C 0.536 176.913 176.300 0.129 0.000 1.334 352 R CA -0.265 55.882 56.100 0.078 0.000 1.516 352 R CB 0.816 31.031 30.300 -0.142 0.000 1.187 352 R HN 0.782 nan 8.270 nan 0.000 0.609 353 G N 0.018 108.843 108.800 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 -1.279 173.926 174.900 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 -0.239 120.011 119.914 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 -0.071 0.000 1.054 354 V HN 0.774 nan 8.190 nan 0.000 0.430 355 N N 3.874 122.634 118.700 0.101 0.000 2.498 355 N HA 0.553 5.293 4.740 -0.000 0.000 0.287 355 N C -0.831 174.491 175.510 -0.313 0.000 1.097 355 N CA -0.439 52.537 53.050 -0.123 0.000 0.973 355 N CB 1.799 40.221 38.487 -0.109 0.000 1.153 355 N HN 0.686 nan 8.380 nan 0.000 0.472 356 R N 1.587 121.860 120.500 -0.377 0.000 2.522 356 R HA 0.246 4.586 4.340 -0.000 0.000 0.283 356 R C -1.197 174.866 176.300 -0.395 0.000 1.074 356 R CA -0.553 55.346 56.100 -0.335 0.000 0.925 356 R CB 1.019 31.129 30.300 -0.318 0.000 1.205 356 R HN 0.579 nan 8.270 nan 0.000 0.436 357 H N 2.002 120.943 119.070 -0.215 0.000 2.495 357 H HA 0.186 4.742 4.556 -0.000 0.000 0.350 357 H C -0.533 174.795 175.328 0.000 0.000 1.202 357 H CA -0.216 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 1.634 122.028 120.200 0.324 0.000 1.963 358 E HA 0.112 4.462 4.350 -0.000 0.000 0.274 358 E C -0.773 175.964 176.600 0.228 0.000 1.061 358 E CA -0.033 56.469 56.400 0.171 0.000 0.847 358 E CB 0.224 30.023 29.700 0.166 0.000 1.083 358 E HN 0.390 nan 8.360 nan 0.000 0.402 359 H N 1.562 120.681 119.070 0.082 0.000 2.947 359 H HA 0.235 4.791 4.556 -0.000 0.000 0.354 359 H C -1.661 173.703 175.328 0.060 0.000 1.085 359 H CA -0.693 55.396 56.048 0.069 0.000 1.253 359 H CB 1.081 30.878 29.762 0.058 0.000 1.757 359 H HN 0.367 nan 8.280 nan 0.000 0.523 360 H N 6.506 125.202 119.070 -0.623 0.000 2.744 360 H HA 0.202 4.758 4.556 -0.000 0.000 0.339 360 H C -2.223 172.660 175.328 -0.741 0.000 1.004 360 H CA -2.453 53.289 56.048 -0.511 0.000 1.257 360 H CB 2.493 32.089 29.762 -0.276 0.000 1.552 360 H HN 0.563 nan 8.280 nan 0.000 0.522 361 P HA -0.136 nan 4.420 nan 0.000 0.218 361 P C 1.209 178.380 177.300 -0.215 0.000 1.146 361 P CA 1.013 63.894 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 -2.125 119.109 121.223 0.018 0.000 2.349 362 L HA 0.104 4.444 4.340 -0.000 0.000 0.200 362 L C 2.464 179.273 176.870 -0.103 0.000 1.064 362 L CA 0.618 55.419 54.840 -0.065 0.000 0.821 362 L CB -0.759 41.155 42.059 -0.243 0.000 1.027 362 L HN -0.008 nan 8.230 nan 0.000 0.476 363 H N -0.311 118.729 119.070 -0.051 0.000 2.551 363 H HA 0.186 4.742 4.556 -0.000 0.000 0.266 363 H C 1.460 176.670 175.328 -0.197 0.000 0.977 363 H CA 0.132 56.032 56.048 -0.246 0.000 1.163 363 H CB 0.305 29.799 29.762 -0.448 0.000 1.381 363 H HN 0.447 nan 8.280 nan 0.000 0.581 364 G N 1.436 110.156 108.800 -0.133 0.000 2.523 364 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.271 364 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.271 364 G C 0.498 175.312 174.900 -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 0.118 119.843 119.800 -0.125 0.000 2.247 365 Q HA 0.447 4.787 4.340 -0.000 0.000 0.205 365 Q C 0.297 176.332 176.000 0.058 0.000 0.896 365 Q CA -0.045 55.714 55.803 -0.075 0.000 0.950 365 Q CB 0.764 29.351 28.738 -0.252 0.000 1.054 365 Q HN 0.384 nan 8.270 nan 0.000 0.482 366 V N 1.825 121.777 119.914 0.062 0.000 2.432 366 V HA 0.234 4.354 4.120 -0.000 0.000 0.275 366 V C 0.140 176.272 176.094 0.063 0.000 1.043 366 V CA -0.203 62.154 62.300 0.096 0.000 0.925 366 V CB 1.034 32.869 31.823 0.020 0.000 0.985 366 V HN 0.325 nan 8.190 nan 0.000 0.466 367 M N 4.414 124.045 119.600 0.053 0.000 2.528 367 M HA 0.581 5.061 4.480 -0.000 0.000 0.318 367 M C -0.563 175.680 176.300 -0.095 0.000 1.195 367 M CA -0.547 54.742 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 -2.122 118.236 120.400 -0.070 0.000 2.655 368 D HA 0.235 4.875 4.640 -0.000 0.000 0.229 368 D C 0.249 176.540 176.300 -0.014 0.000 1.229 368 D CA -0.701 53.261 54.000 -0.063 0.000 0.807 368 D CB 1.423 42.220 40.800 -0.004 0.000 1.514 368 D HN 0.674 nan 8.370 nan 0.000 0.444 369 E N 0.318 120.518 120.200 0.001 0.000 2.082 369 E HA -0.431 3.918 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 -0.655 119.196 119.800 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 2.702 58.562 55.803 0.095 0.000 0.866 370 Q CB -0.433 28.362 28.738 0.095 0.000 0.938 370 Q HN 0.436 nan 8.270 nan 0.000 0.414 371 T N 1.185 115.810 114.554 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 1.773 63.953 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 0.653 120.339 119.600 0.145 0.000 2.151 372 M HA -0.182 4.298 4.480 -0.000 0.000 0.256 372 M C 2.494 178.923 176.300 0.215 0.000 1.072 372 M CA 1.716 57.172 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 -0.099 119.888 119.914 0.123 0.000 2.392 373 V HA -0.312 3.808 4.120 -0.000 0.000 0.249 373 V C 2.301 178.395 176.094 0.000 0.000 1.059 373 V CA 2.031 64.337 62.300 0.010 0.000 1.051 373 V CB -0.965 30.882 31.823 0.041 0.000 0.658 373 V HN 0.545 nan 8.190 nan 0.000 0.455 374 Q N -0.267 119.577 119.800 0.074 0.000 2.045 374 Q HA -0.283 4.057 4.340 -0.000 0.000 0.206 374 Q C 2.137 178.214 176.000 0.128 0.000 0.991 374 Q CA 2.267 58.127 55.803 0.095 0.000 0.851 374 Q CB -0.184 28.627 28.738 0.121 0.000 0.911 374 Q HN 0.644 nan 8.270 nan 0.000 0.418 375 D N 0.242 120.745 120.400 0.172 0.000 2.106 375 D HA -0.197 4.443 4.640 -0.000 0.000 0.191 375 D C 1.902 178.184 176.300 -0.031 0.000 0.997 375 D CA 1.278 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 0.604 121.134 120.570 -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 2.624 179.558 176.870 0.107 0.000 1.076 377 L CA 1.366 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 -0.927 120.384 121.223 0.146 0.000 1.989 378 L HA -0.278 4.062 4.340 -0.000 0.000 0.211 378 L C 2.760 179.788 176.870 0.264 0.000 1.071 378 L CA 1.600 56.605 54.840 0.275 0.000 0.749 378 L CB -0.407 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 -0.558 119.059 119.600 0.028 0.000 2.082 379 M HA -0.281 4.199 4.480 -0.000 0.000 0.258 379 M C 2.326 178.698 176.300 0.121 0.000 1.071 379 M CA 1.883 57.131 55.300 -0.087 0.000 1.103 379 M CB -0.558 31.779 32.600 -0.439 0.000 1.307 379 M HN 0.129 nan 8.290 nan 0.000 0.409 380 K N 0.239 120.611 120.400 -0.046 0.000 2.074 380 K HA -0.221 4.099 4.320 -0.000 0.000 0.209 380 K C 1.940 178.520 176.600 -0.033 0.000 1.048 380 K CA 1.653 57.808 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 0.170 120.114 119.800 0.240 0.000 2.291 381 Q HA -0.051 4.289 4.340 -0.000 0.000 0.205 381 Q C 0.859 177.144 176.000 0.476 0.000 0.970 381 Q CA 0.734 56.799 55.803 0.436 0.000 0.876 381 Q CB 0.066 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 0.847 119.796 118.700 0.415 0.000 2.320 382 N HA 0.053 4.793 4.740 -0.000 0.000 0.237 382 N C -0.686 174.972 175.510 0.247 0.000 1.129 382 N CA -0.010 53.286 53.050 0.411 0.000 0.854 382 N CB 0.618 39.416 38.487 0.518 0.000 1.083 382 N HN 0.166 nan 8.380 nan 0.000 0.504 383 N N 0.192 119.022 118.700 0.216 0.000 2.776 383 N HA -0.178 4.562 4.740 -0.000 0.000 0.249 383 N C -0.880 174.543 175.510 -0.144 0.000 1.111 383 N CA 0.840 53.929 53.050 0.065 0.000 0.711 383 N CB -1.771 36.636 38.487 -0.132 0.000 1.065 383 N HN 0.260 nan 8.380 nan 0.000 0.556 384 F N 0.988 120.953 119.950 0.024 0.000 2.399 384 F HA 0.386 4.913 4.527 -0.000 0.000 0.328 384 F C 1.753 177.548 175.800 -0.008 0.000 1.084 384 F CA -0.566 57.435 58.000 0.001 0.000 1.053 384 F CB 0.918 39.896 39.000 -0.038 0.000 1.209 384 F HN 0.048 nan 8.300 nan 0.000 0.502 385 N N 0.291 119.115 118.700 0.208 0.000 2.118 385 N HA 0.435 5.175 4.740 -0.000 0.000 0.226 385 N C -0.884 174.694 175.510 0.113 0.000 1.305 385 N CA 0.032 53.139 53.050 0.095 0.000 0.890 385 N CB 0.741 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 -0.436 122.514 122.820 0.216 0.000 2.606 386 A HA 0.784 5.104 4.320 -0.000 0.000 0.293 386 A C -1.707 176.102 177.584 0.375 0.000 1.082 386 A CA -0.595 51.627 52.037 0.309 0.000 0.685 386 A CB 1.728 20.959 19.000 0.385 0.000 1.284 386 A HN 0.375 nan 8.150 nan 0.000 0.408 387 V N 0.687 120.856 119.914 0.426 0.000 3.012 387 V HA 0.835 4.955 4.120 -0.000 0.000 0.307 387 V C -0.932 175.269 176.094 0.178 0.000 1.166 387 V CA -0.730 61.772 62.300 0.336 0.000 0.974 387 V CB 1.993 33.910 31.823 0.156 0.000 1.040 387 V HN 1.181 nan 8.190 nan 0.000 0.428 388 R N 4.488 124.938 120.500 -0.083 0.000 2.387 388 R HA 0.510 4.850 4.340 -0.000 0.000 0.314 388 R C -0.830 175.319 176.300 -0.251 0.000 0.958 388 R CA -0.484 55.410 56.100 -0.344 0.000 0.846 388 R CB 1.221 31.056 30.300 -0.775 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 0.105 4.565 4.460 -0.000 0.000 0.545 389 C C 0.550 175.244 174.990 -0.495 0.000 1.044 389 C CA -0.467 58.382 59.018 -0.283 0.000 1.117 389 C CB -2.139 25.542 27.740 -0.097 0.000 1.393 389 C HN 0.689 nan 8.230 nan 0.000 0.611 390 S N 1.492 116.772 115.700 -0.700 0.000 2.465 390 S HA 0.186 4.656 4.470 -0.000 0.000 0.280 390 S C -0.115 173.557 174.600 -1.547 0.000 1.232 390 S CA 0.110 57.594 58.200 -1.194 0.000 1.066 390 S CB 0.097 62.531 63.200 -1.277 0.000 0.929 390 S HN 0.739 nan 8.310 nan 0.000 0.494 391 H N 3.433 121.854 119.070 -1.082 0.000 2.597 391 H HA 0.297 4.853 4.556 -0.000 0.000 0.225 391 H C -1.191 173.994 175.328 -0.239 0.000 1.422 391 H CA -0.360 55.446 56.048 -0.403 0.000 1.335 391 H CB -0.098 29.637 29.762 -0.046 0.000 1.783 391 H HN 0.890 nan 8.280 nan 0.000 0.513 392 Y N -2.693 117.707 120.300 0.167 0.000 2.774 392 Y HA 0.437 4.987 4.550 -0.000 0.000 0.346 392 Y C -3.304 172.695 175.900 0.166 0.000 1.222 392 Y CA -3.037 55.168 58.100 0.175 0.000 1.088 392 Y CB 0.008 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 0.155 119.155 118.700 0.501 0.000 2.491 394 N HA 0.111 4.851 4.740 -0.000 0.000 0.279 394 N C 0.004 175.764 175.510 0.416 0.000 1.236 394 N CA -0.624 52.621 53.050 0.326 0.000 0.982 394 N CB 0.387 38.816 38.487 -0.098 0.000 1.194 394 N HN 0.585 nan 8.380 nan 0.000 0.582 395 H N 2.210 121.390 119.070 0.184 0.000 3.046 395 H HA 0.027 4.583 4.556 -0.000 0.000 0.303 395 H C -1.717 173.815 175.328 0.340 0.000 1.002 395 H CA -1.121 55.045 56.048 0.197 0.000 1.460 395 H CB 0.911 30.740 29.762 0.112 0.000 1.493 395 H HN 0.419 nan 8.280 nan 0.000 0.559 396 P HA -0.282 nan 4.420 nan 0.000 0.219 396 P C 1.881 179.496 177.300 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 0.414 0.000 1.080 397 L CA 1.666 56.817 54.840 0.518 0.000 0.754 397 L CB -1.428 40.940 42.059 0.516 0.000 0.893 397 L HN 0.086 nan 8.230 nan 0.000 0.433 398 W N -0.282 121.126 121.300 0.179 0.000 2.290 398 W HA -0.408 4.252 4.660 -0.000 0.000 0.328 398 W C 2.312 178.744 176.519 -0.145 0.000 1.272 398 W CA 2.268 59.567 57.345 -0.077 0.000 1.262 398 W CB -0.592 28.681 29.460 -0.312 0.000 1.151 398 W HN 0.285 nan 8.180 nan 0.000 0.473 399 Y N 0.710 120.987 120.300 -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 2.253 60.087 58.100 -0.444 0.000 1.181 399 Y CB -1.469 36.429 38.460 -0.935 0.000 0.976 399 Y HN -0.144 nan 8.280 nan 0.000 0.520 400 T N 0.568 115.161 114.554 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 0.230 nan 8.240 nan 0.000 0.435 401 L N 0.461 121.697 121.223 0.022 0.000 2.042 401 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 401 L C 2.908 179.778 176.870 -0.000 0.000 1.076 401 L CA 1.068 55.944 54.840 0.060 0.000 0.749 401 L CB -0.776 41.299 42.059 0.026 0.000 0.893 401 L HN 0.388 nan 8.230 nan 0.000 0.432 402 C N -0.341 118.788 119.300 -0.285 0.000 2.425 402 C HA -0.152 4.308 4.460 -0.000 0.000 0.277 402 C C 2.447 177.450 174.990 0.022 0.000 1.280 402 C CA 0.392 59.255 59.018 -0.258 0.000 1.744 402 C CB -0.830 26.629 27.740 -0.468 0.000 1.989 402 C HN 0.546 nan 8.230 nan 0.000 0.491 403 D N 0.417 120.832 120.400 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 1.314 55.392 54.000 0.129 0.000 0.833 403 D CB -0.323 40.525 40.800 0.079 0.000 0.954 403 D HN 0.469 nan 8.370 nan 0.000 0.455 404 R N -0.853 119.703 120.500 0.093 0.000 2.075 404 R HA -0.019 4.321 4.340 -0.000 0.000 0.226 404 R C 2.319 178.531 176.300 -0.147 0.000 1.114 404 R CA 0.751 56.830 56.100 -0.036 0.000 0.972 404 R CB -0.332 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 -0.778 119.530 120.300 0.013 0.000 2.337 405 Y HA 0.129 4.679 4.550 -0.000 0.000 0.293 405 Y C 0.955 176.781 175.900 -0.123 0.000 1.123 405 Y CA 0.932 59.009 58.100 -0.039 0.000 1.201 405 Y CB 0.567 38.972 38.460 -0.092 0.000 1.011 405 Y HN 0.260 nan 8.280 nan 0.000 0.545 406 G N 1.045 109.864 108.800 0.033 0.000 2.943 406 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.250 406 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.250 406 G C -1.161 173.568 174.900 -0.286 0.000 0.996 406 G CA -0.630 44.350 45.100 -0.200 0.000 1.248 406 G HN 0.122 nan 8.290 nan 0.000 0.589 407 L N 0.959 122.081 121.223 -0.168 0.000 2.455 407 L HA 0.468 4.808 4.340 -0.000 0.000 0.264 407 L C -0.057 176.757 176.870 -0.094 0.000 0.968 407 L CA -1.221 53.476 54.840 -0.238 0.000 0.827 407 L CB 2.044 43.988 42.059 -0.192 0.000 1.317 407 L HN 0.438 nan 8.230 nan 0.000 0.407 408 Y N 2.062 122.460 120.300 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 1.271 39.844 38.460 0.190 0.000 1.234 408 Y HN 0.163 nan 8.280 nan 0.000 0.522 409 V N 3.724 123.805 119.914 0.278 0.000 2.735 409 V HA 0.385 4.505 4.120 -0.000 0.000 0.310 409 V C -0.737 175.423 176.094 0.110 0.000 1.061 409 V CA -1.046 61.358 62.300 0.174 0.000 0.913 409 V CB 2.106 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 2.594 122.552 119.914 0.073 0.000 2.328 410 V HA 0.352 4.472 4.120 -0.000 0.000 0.278 410 V C -0.399 175.724 176.094 0.049 0.000 1.021 410 V CA -0.448 61.854 62.300 0.003 0.000 0.838 410 V CB 1.407 33.158 31.823 -0.120 0.000 0.999 410 V HN 0.869 nan 8.190 nan 0.000 0.447 411 D N 4.052 124.509 120.400 0.095 0.000 2.312 411 D HA 0.295 4.935 4.640 -0.000 0.000 0.252 411 D C -0.182 176.289 176.300 0.285 0.000 1.150 411 D CA 0.091 54.242 54.000 0.251 0.000 0.870 411 D CB 1.212 42.202 40.800 0.316 0.000 1.153 411 D HN 0.709 nan 8.370 nan 0.000 0.457 412 E N 1.827 122.170 120.200 0.238 0.000 2.234 412 E HA 0.607 4.957 4.350 -0.000 0.000 0.266 412 E C -1.116 175.619 176.600 0.225 0.000 0.877 412 E CA -1.074 55.455 56.400 0.215 0.000 0.758 412 E CB 1.388 31.169 29.700 0.136 0.000 1.170 412 E HN 0.452 nan 8.360 nan 0.000 0.415 413 A N 3.732 126.681 122.820 0.214 0.000 2.445 413 A HA 0.071 4.391 4.320 -0.000 0.000 0.242 413 A C 0.351 178.057 177.584 0.203 0.000 1.075 413 A CA -0.270 51.876 52.037 0.181 0.000 0.777 413 A CB 0.178 19.253 19.000 0.124 0.000 1.013 413 A HN 0.685 nan 8.150 nan 0.000 0.493 414 N N 1.456 120.284 118.700 0.213 0.000 2.971 414 N HA 0.203 4.943 4.740 -0.000 0.000 0.294 414 N C -0.948 174.684 175.510 0.203 0.000 1.210 414 N CA 0.237 53.442 53.050 0.257 0.000 1.157 414 N CB -0.876 37.770 38.487 0.265 0.000 1.450 414 N HN 0.472 nan 8.380 nan 0.000 0.527 415 I N 0.748 121.431 120.570 0.189 0.000 2.529 415 I HA 0.263 4.433 4.170 -0.000 0.000 0.284 415 I C -0.587 175.617 176.117 0.144 0.000 1.088 415 I CA -0.660 60.732 61.300 0.153 0.000 1.062 415 I CB 1.875 39.940 38.000 0.108 0.000 1.218 415 I HN 0.210 nan 8.210 nan 0.000 0.442 416 E N 4.218 124.500 120.200 0.137 0.000 2.278 416 E HA 0.399 4.749 4.350 -0.000 0.000 0.272 416 E C -0.449 176.211 176.600 0.099 0.000 0.890 416 E CA -0.443 56.010 56.400 0.088 0.000 0.770 416 E CB 1.871 31.602 29.700 0.052 0.000 1.212 416 E HN 0.649 nan 8.360 nan 0.000 0.415 417 T N 0.629 115.230 114.554 0.078 0.000 3.331 417 T HA 0.147 4.497 4.350 -0.000 0.000 0.282 417 T C 0.961 175.707 174.700 0.077 0.000 1.010 417 T CA -0.249 61.926 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 -0.265 29.341 29.762 -0.260 0.000 1.355 418 H HN 0.580 nan 8.280 nan 0.000 0.485 419 G N 0.246 108.898 108.800 -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 -0.019 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 -0.037 119.693 119.600 0.217 0.000 2.113 420 M HA 0.341 4.820 4.480 -0.000 0.000 0.288 420 M C -0.301 176.031 176.300 0.053 0.000 1.225 420 M CA 0.096 55.483 55.300 0.146 0.000 1.148 420 M CB 1.024 33.664 32.600 0.067 0.000 1.388 420 M HN -0.163 nan 8.290 nan 0.000 0.469 421 V N 1.925 121.849 119.914 0.017 0.000 2.624 421 V HA 0.280 4.400 4.120 -0.000 0.000 0.294 421 V C -2.202 173.882 176.094 -0.018 0.000 1.077 421 V CA -1.291 61.007 62.300 -0.005 0.000 0.905 421 V CB 1.978 33.797 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 1.200 120.799 119.600 -0.001 0.000 2.192 423 M HA -0.257 4.223 4.480 -0.000 0.000 0.256 423 M C 1.118 177.425 176.300 0.012 0.000 1.076 423 M CA 2.246 57.552 55.300 0.009 0.000 1.075 423 M CB -0.377 32.219 32.600 -0.007 0.000 1.368 423 M HN 0.405 nan 8.290 nan 0.000 0.406 424 N N -0.224 118.483 118.700 0.012 0.000 2.268 424 N HA -0.062 4.678 4.740 -0.000 0.000 0.204 424 N C 1.154 176.626 175.510 -0.064 0.000 1.124 424 N CA 0.185 53.239 53.050 0.006 0.000 0.838 424 N CB -0.661 37.852 38.487 0.043 0.000 0.994 424 N HN 0.405 nan 8.380 nan 0.000 0.489 425 R N 0.640 121.092 120.500 -0.080 0.000 2.134 425 R HA -0.087 4.253 4.340 -0.000 0.000 0.248 425 R C 1.582 177.757 176.300 -0.210 0.000 1.143 425 R CA 1.719 57.746 56.100 -0.121 0.000 0.957 425 R CB -0.144 30.085 30.300 -0.118 0.000 0.867 425 R HN 0.297 nan 8.270 nan 0.000 0.441 426 L N -0.806 120.225 121.223 -0.320 0.000 2.102 426 L HA -0.032 4.308 4.340 -0.000 0.000 0.202 426 L C 2.557 179.231 176.870 -0.326 0.000 1.076 426 L CA 1.389 55.895 54.840 -0.557 0.000 0.761 426 L CB -0.758 40.720 42.059 -0.969 0.000 0.921 426 L HN 0.400 nan 8.230 nan 0.000 0.444 427 T N -3.695 110.710 114.554 -0.248 0.000 2.897 427 T HA -0.225 4.125 4.350 -0.000 0.000 0.271 427 T C 1.228 175.805 174.700 -0.206 0.000 1.084 427 T CA 1.488 63.428 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 1.405 121.724 120.400 -0.135 0.000 2.358 428 D HA 0.154 4.794 4.640 -0.000 0.000 0.224 428 D C -0.548 175.719 176.300 -0.055 0.000 1.123 428 D CA -0.218 53.724 54.000 -0.097 0.000 0.833 428 D CB -0.061 40.696 40.800 -0.072 0.000 0.946 428 D HN 0.361 nan 8.370 nan 0.000 0.505 429 D N -0.612 119.772 120.400 -0.028 0.000 2.549 429 D HA 0.185 4.825 4.640 -0.000 0.000 0.251 429 D C -1.829 174.538 176.300 0.111 0.000 1.153 429 D CA -2.294 51.741 54.000 0.057 0.000 0.861 429 D CB 2.198 43.069 40.800 0.118 0.000 1.207 429 D HN -0.156 nan 8.370 nan 0.000 0.543 430 P HA -0.207 nan 4.420 nan 0.000 0.218 430 P C 1.165 178.473 177.300 0.013 0.000 1.154 430 P CA 1.263 64.372 63.100 0.016 0.000 0.872 430 P CB 0.316 32.015 31.700 -0.002 0.000 0.790 431 R N -1.825 118.690 120.500 0.025 0.000 2.139 431 R HA -0.157 4.183 4.340 -0.000 0.000 0.243 431 R C 1.917 178.080 176.300 -0.229 0.000 1.145 431 R CA 1.663 57.703 56.100 -0.101 0.000 0.976 431 R CB -0.859 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 -0.579 120.659 121.300 -0.102 0.000 3.290 432 W HA 0.163 4.823 4.660 -0.000 0.000 0.287 432 W C 1.387 177.842 176.519 -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 2.914 124.181 121.223 0.073 0.000 1.963 433 L HA -0.165 4.175 4.340 -0.000 0.000 0.220 433 L C -0.500 176.342 176.870 -0.046 0.000 1.076 433 L CA 2.471 57.308 54.840 -0.006 0.000 0.772 433 L CB -1.982 40.058 42.059 -0.032 0.000 0.892 433 L HN -0.196 nan 8.230 nan 0.000 0.435 434 P HA -0.240 nan 4.420 nan 0.000 0.217 434 P C 1.605 178.855 177.300 -0.084 0.000 1.158 434 P CA 2.611 65.653 63.100 -0.097 0.000 0.887 434 P CB -0.401 31.233 31.700 -0.109 0.000 0.792 435 A N -0.516 122.267 122.820 -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 2.566 54.598 52.037 -0.009 0.000 0.623 435 A CB -1.576 17.469 19.000 0.075 0.000 0.826 435 A HN 0.097 nan 8.150 nan 0.000 0.444 436 M N 0.366 119.982 119.600 0.027 0.000 2.108 436 M HA -0.182 4.298 4.480 -0.000 0.000 0.261 436 M C 2.457 178.703 176.300 -0.090 0.000 1.066 436 M CA 1.973 57.263 55.300 -0.017 0.000 1.107 436 M CB -0.802 31.767 32.600 -0.051 0.000 1.356 436 M HN 0.595 nan 8.290 nan 0.000 0.406 437 S N 0.457 116.077 115.700 -0.133 0.000 2.359 437 S HA -0.185 4.285 4.470 -0.000 0.000 0.223 437 S C 1.661 176.105 174.600 -0.260 0.000 1.039 437 S CA 1.402 59.460 58.200 -0.237 0.000 1.042 437 S CB -0.723 62.322 63.200 -0.259 0.000 0.915 437 S HN 0.479 nan 8.310 nan 0.000 0.439 438 E N 1.274 121.367 120.200 -0.178 0.000 2.097 438 E HA -0.169 4.181 4.350 -0.000 0.000 0.196 438 E C 2.349 178.868 176.600 -0.134 0.000 1.000 438 E CA 1.020 57.326 56.400 -0.156 0.000 0.804 438 E CB -0.240 29.402 29.700 -0.097 0.000 0.740 438 E HN 0.500 nan 8.360 nan 0.000 0.454 439 R N 0.139 120.587 120.500 -0.087 0.000 2.120 439 R HA -0.110 4.230 4.340 -0.000 0.000 0.234 439 R C 2.390 178.649 176.300 -0.068 0.000 1.123 439 R CA 0.999 57.075 56.100 -0.040 0.000 0.975 439 R CB -0.037 30.273 30.300 0.017 0.000 0.866 439 R HN 0.026 nan 8.270 nan 0.000 0.446 440 V N 0.040 119.868 119.914 -0.143 0.000 2.374 440 V HA -0.183 3.937 4.120 -0.000 0.000 0.241 440 V C 2.399 178.342 176.094 -0.253 0.000 1.034 440 V CA 2.033 64.235 62.300 -0.163 0.000 1.037 440 V CB -0.400 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 -0.167 114.114 114.554 -0.455 0.000 2.624 441 T HA -0.333 4.016 4.350 -0.000 0.000 0.268 441 T C 1.944 176.508 174.700 -0.227 0.000 1.041 441 T CA 1.895 63.657 62.100 -0.563 0.000 1.159 441 T CB -0.547 67.869 68.868 -0.755 0.000 0.863 441 T HN 0.387 nan 8.240 nan 0.000 0.434 442 R N 0.589 120.975 120.500 -0.190 0.000 2.091 442 R HA -0.005 4.335 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 1.813 57.838 56.100 -0.125 0.000 0.959 442 R CB -0.580 29.655 30.300 -0.108 0.000 0.856 442 R HN 0.529 nan 8.270 nan 0.000 0.437 443 M N 0.786 120.333 119.600 -0.089 0.000 2.080 443 M HA -0.181 4.299 4.480 -0.000 0.000 0.260 443 M C 1.952 178.197 176.300 -0.092 0.000 1.068 443 M CA 1.751 57.027 55.300 -0.041 0.000 1.109 443 M CB -0.017 32.600 32.600 0.028 0.000 1.342 443 M HN -0.009 nan 8.290 nan 0.000 0.405 444 V N 1.552 121.324 119.914 -0.237 0.000 2.295 444 V HA -0.307 3.813 4.120 -0.000 0.000 0.246 444 V C 2.404 178.396 176.094 -0.169 0.000 1.049 444 V CA 2.310 64.362 62.300 -0.412 0.000 1.024 444 V CB -1.208 30.332 31.823 -0.471 0.000 0.648 444 V HN 0.627 nan 8.190 nan 0.000 0.447 445 Q N 0.016 119.752 119.800 -0.105 0.000 2.226 445 Q HA -0.248 4.092 4.340 -0.000 0.000 0.204 445 Q C 2.349 178.282 176.000 -0.112 0.000 0.975 445 Q CA 1.630 57.385 55.803 -0.081 0.000 0.866 445 Q CB -0.353 28.366 28.738 -0.033 0.000 0.915 445 Q HN 0.597 nan 8.270 nan 0.000 0.440 446 R N 0.779 121.204 120.500 -0.126 0.000 2.062 446 R HA -0.094 4.246 4.340 -0.000 0.000 0.226 446 R C 0.752 176.974 176.300 -0.130 0.000 1.125 446 R CA 1.428 57.426 56.100 -0.169 0.000 0.966 446 R CB 0.320 30.516 30.300 -0.174 0.000 0.861 446 R HN 0.149 nan 8.270 nan 0.000 0.433 447 D N -0.014 120.372 120.400 -0.024 0.000 2.360 447 D HA -0.019 4.620 4.640 -0.000 0.000 0.210 447 D C 1.463 177.861 176.300 0.164 0.000 1.047 447 D CA 0.234 54.264 54.000 0.050 0.000 0.854 447 D CB 0.210 40.996 40.800 -0.025 0.000 0.936 447 D HN 0.348 nan 8.370 nan 0.000 0.514 448 R N 0.792 121.408 120.500 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 57.293 56.100 0.214 0.000 1.007 448 R CB -0.412 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 0.213 118.822 118.700 -0.151 0.000 2.280 449 N HA -0.014 4.726 4.740 -0.000 0.000 0.192 449 N C -0.527 174.840 175.510 -0.239 0.000 1.109 449 N CA 0.129 53.046 53.050 -0.222 0.000 0.855 449 N CB 0.154 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 1.572 120.554 119.070 -0.147 0.000 2.723 450 H HA 0.115 4.670 4.556 -0.000 0.000 0.294 450 H C -1.200 173.963 175.328 -0.275 0.000 1.079 450 H CA -1.328 54.616 56.048 -0.173 0.000 1.411 450 H CB 1.630 31.324 29.762 -0.113 0.000 1.439 450 H HN 0.016 nan 8.280 nan 0.000 0.474 451 P HA -0.176 nan 4.420 nan 0.000 0.217 451 P C 1.432 178.312 177.300 -0.700 0.000 1.148 451 P CA 1.323 64.076 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 -1.311 114.051 115.700 -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 -1.405 61.757 63.200 -0.063 0.000 0.773 452 S HN -0.054 nan 8.310 nan 0.000 0.504 453 V N 3.561 123.401 119.914 -0.123 0.000 2.470 453 V HA 0.264 4.383 4.120 -0.000 0.000 0.276 453 V C 1.021 176.971 176.094 -0.240 0.000 1.040 453 V CA -0.078 62.117 62.300 -0.175 0.000 1.008 453 V CB 0.623 32.240 31.823 -0.342 0.000 0.990 453 V HN 0.625 nan 8.190 nan 0.000 0.477 454 I N 2.538 123.010 120.570 -0.164 0.000 4.327 454 I HA 0.525 4.695 4.170 -0.000 0.000 0.331 454 I C 0.202 176.196 176.117 -0.204 0.000 1.348 454 I CA 0.340 61.551 61.300 -0.148 0.000 1.152 454 I CB 0.520 38.513 38.000 -0.012 0.000 1.151 454 I HN 0.319 nan 8.210 nan 0.000 0.410 455 I N 0.491 120.905 120.570 -0.259 0.000 2.692 455 I HA 0.336 4.506 4.170 -0.000 0.000 0.293 455 I C -1.599 174.411 176.117 -0.178 0.000 1.200 455 I CA -0.397 60.799 61.300 -0.172 0.000 1.036 455 I CB 2.047 40.043 38.000 -0.007 0.000 1.258 455 I HN 0.038 nan 8.210 nan 0.000 0.421 456 W N 3.863 125.207 121.300 0.074 0.000 2.449 456 W HA 0.616 5.276 4.660 -0.000 0.000 0.331 456 W C 0.441 177.021 176.519 0.102 0.000 1.119 456 W CA -0.629 56.765 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 2.799 118.730 115.700 0.383 0.000 2.557 457 S HA 0.398 4.867 4.470 -0.000 0.000 0.291 457 S C -0.090 174.676 174.600 0.276 0.000 1.116 457 S CA -0.756 57.617 58.200 0.288 0.000 0.992 457 S CB 0.788 64.112 63.200 0.207 0.000 1.028 457 S HN 0.568 nan 8.310 nan 0.000 0.484 458 L N 4.188 125.570 121.223 0.266 0.000 2.645 458 L HA 0.387 4.727 4.340 -0.000 0.000 0.235 458 L C 1.411 178.375 176.870 0.156 0.000 1.150 458 L CA 0.380 55.313 54.840 0.155 0.000 0.911 458 L CB -1.451 40.613 42.059 0.008 0.000 1.077 458 L HN 1.039 nan 8.230 nan 0.000 0.438 459 G N 0.129 109.083 108.800 0.255 0.000 2.297 459 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.209 459 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.209 459 G C -1.484 173.584 174.900 0.280 0.000 1.267 459 G CA -0.550 44.696 45.100 0.242 0.000 1.127 459 G HN 0.233 nan 8.290 nan 0.000 0.498 460 N N 0.332 119.145 118.700 0.189 0.000 2.598 460 N HA 0.451 5.191 4.740 -0.000 0.000 0.263 460 N C -0.459 175.005 175.510 -0.076 0.000 1.254 460 N CA 0.142 53.164 53.050 -0.047 0.000 0.863 460 N CB 1.390 39.572 38.487 -0.509 0.000 1.586 460 N HN 0.952 nan 8.380 nan 0.000 0.491 461 E N 0.272 120.321 120.200 -0.252 0.000 1.867 461 E HA -0.203 4.147 4.350 -0.000 0.000 0.164 461 E C -0.783 175.713 176.600 -0.174 0.000 1.355 461 E CA 0.692 56.866 56.400 -0.377 0.000 0.575 461 E CB -1.446 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 0.163 115.912 115.700 0.082 0.000 2.941 462 S HA 0.398 4.868 4.470 -0.000 0.000 0.251 462 S C 0.725 175.481 174.600 0.261 0.000 1.029 462 S CA -0.121 58.182 58.200 0.172 0.000 1.062 462 S CB 1.362 64.715 63.200 0.255 0.000 0.977 462 S HN 0.892 nan 8.310 nan 0.000 0.552 463 G N 1.981 110.880 108.800 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 -0.004 45.200 45.100 0.173 0.000 0.935 463 G HN 0.625 nan 8.290 nan 0.000 0.568 464 H N 0.434 119.629 119.070 0.209 0.000 2.840 464 H HA 0.577 5.133 4.556 -0.000 0.000 0.340 464 H C 0.114 175.619 175.328 0.294 0.000 1.004 464 H CA 0.060 56.260 56.048 0.252 0.000 1.288 464 H CB 1.022 30.860 29.762 0.126 0.000 1.607 464 H HN 1.264 nan 8.280 nan 0.000 0.522 465 G N 1.381 110.186 108.800 0.008 0.000 2.642 465 G HA2 0.453 4.413 3.960 -0.000 0.000 0.293 465 G HA3 0.453 4.413 3.960 -0.000 0.000 0.293 465 G C 0.494 175.221 174.900 -0.288 0.000 1.341 465 G CA -0.143 44.817 45.100 -0.234 0.000 0.916 465 G HN 0.665 nan 8.290 nan 0.000 0.474 466 A N 0.601 123.299 122.820 -0.203 0.000 1.986 466 A HA -0.148 4.172 4.320 -0.000 0.000 0.220 466 A C 2.186 179.725 177.584 -0.075 0.000 1.171 466 A CA 2.206 54.178 52.037 -0.108 0.000 0.640 466 A CB -0.523 18.441 19.000 -0.060 0.000 0.811 466 A HN 0.566 nan 8.150 nan 0.000 0.451 467 N N -0.346 118.269 118.700 -0.141 0.000 2.137 467 N HA -0.181 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 54.842 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 1.366 176.733 175.328 0.065 0.000 1.082 468 H CA 1.353 57.358 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 0.518 121.051 120.400 0.222 0.000 2.116 469 D HA -0.192 4.448 4.640 -0.000 0.000 0.193 469 D C 2.313 178.755 176.300 0.235 0.000 0.998 469 D CA 1.344 55.475 54.000 0.220 0.000 0.836 469 D CB -0.564 40.333 40.800 0.161 0.000 0.951 469 D HN 0.445 nan 8.370 nan 0.000 0.449 470 A N 0.800 123.708 122.820 0.147 0.000 1.908 470 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 470 A C 2.464 180.154 177.584 0.175 0.000 1.181 470 A CA 1.042 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 -2.169 119.141 121.223 0.145 0.000 2.056 471 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 471 L C 2.600 179.611 176.870 0.234 0.000 1.078 471 L CA 1.740 56.666 54.840 0.144 0.000 0.749 471 L CB -0.807 41.273 42.059 0.037 0.000 0.901 471 L HN 0.611 nan 8.230 nan 0.000 0.433 472 Y N 0.949 121.328 120.300 0.131 0.000 2.081 472 Y HA -0.315 4.234 4.550 -0.000 0.000 0.280 472 Y C 2.919 178.897 175.900 0.131 0.000 1.163 472 Y CA 1.629 59.809 58.100 0.135 0.000 1.135 472 Y CB -0.233 38.307 38.460 0.134 0.000 0.970 472 Y HN -0.056 nan 8.280 nan 0.000 0.498 473 R N 0.010 120.641 120.500 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 28.726 30.300 0.203 0.000 0.851 473 R HN 0.687 nan 8.270 nan 0.000 0.434 474 W N 1.308 122.566 121.300 -0.071 0.000 2.318 474 W HA -0.209 4.451 4.660 -0.000 0.000 0.313 474 W C 1.943 178.367 176.519 -0.157 0.000 1.221 474 W CA 1.950 59.238 57.345 -0.095 0.000 1.266 474 W CB -0.421 28.986 29.460 -0.087 0.000 1.150 474 W HN 0.023 nan 8.180 nan 0.000 0.496 475 I N 0.613 121.174 120.570 -0.015 0.000 2.142 475 I HA -0.351 3.819 4.170 -0.000 0.000 0.240 475 I C 2.467 178.352 176.117 -0.387 0.000 1.078 475 I CA 1.430 62.552 61.300 -0.298 0.000 1.343 475 I CB -1.015 36.879 38.000 -0.177 0.000 1.046 475 I HN -0.092 nan 8.210 nan 0.000 0.405 476 K N 1.183 121.381 120.400 -0.337 0.000 2.089 476 K HA -0.173 4.147 4.320 -0.000 0.000 0.210 476 K C 2.219 178.667 176.600 -0.252 0.000 1.048 476 K CA 1.889 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 0.312 115.827 115.700 -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 0.809 58.831 58.200 -0.297 0.000 0.965 477 S CB -0.131 62.905 63.200 -0.273 0.000 0.812 477 S HN -0.006 nan 8.310 nan 0.000 0.482 478 V N 1.382 120.926 119.914 -0.616 0.000 2.535 478 V HA 0.061 4.181 4.120 -0.000 0.000 0.246 478 V C 0.385 176.235 176.094 -0.407 0.000 1.045 478 V CA 1.236 63.154 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 -0.712 119.489 120.400 -0.332 0.000 2.358 479 D HA 0.273 4.913 4.640 -0.000 0.000 0.253 479 D C -2.271 174.005 176.300 -0.040 0.000 1.288 479 D CA -1.768 52.154 54.000 -0.130 0.000 0.950 479 D CB 1.978 42.785 40.800 0.012 0.000 1.197 479 D HN 0.078 nan 8.370 nan 0.000 0.550 480 P HA 0.027 nan 4.420 nan 0.000 0.255 480 P C 1.077 178.393 177.300 0.027 0.000 1.248 480 P CA 0.228 63.316 63.100 -0.020 0.000 0.807 480 P CB 0.312 31.990 31.700 -0.036 0.000 1.150 481 S N -0.504 115.225 115.700 0.047 0.000 2.489 481 S HA 0.029 4.499 4.470 -0.000 0.000 0.228 481 S C 0.907 175.538 174.600 0.051 0.000 0.995 481 S CA -0.040 58.192 58.200 0.054 0.000 0.934 481 S CB -0.399 62.828 63.200 0.044 0.000 0.771 481 S HN 0.105 nan 8.310 nan 0.000 0.522 482 R N 0.954 121.502 120.500 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 -0.162 0.000 1.197 482 R HN 0.127 nan 8.270 nan 0.000 0.463 483 P HA 0.196 nan 4.420 nan 0.000 0.276 483 P C -0.795 176.608 177.300 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 1.866 121.903 119.914 0.205 0.000 2.540 484 V HA 0.410 4.530 4.120 -0.000 0.000 0.302 484 V C 0.140 176.412 176.094 0.296 0.000 1.035 484 V CA -0.416 62.051 62.300 0.278 0.000 0.873 484 V CB 1.332 33.299 31.823 0.239 0.000 0.992 484 V HN 0.631 nan 8.190 nan 0.000 0.428 485 Q N 3.676 123.632 119.800 0.260 0.000 2.433 485 Q HA 0.822 5.162 4.340 -0.000 0.000 0.279 485 Q C -1.754 174.405 176.000 0.265 0.000 1.105 485 Q CA -0.975 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 0.187 120.505 120.300 0.030 0.000 2.376 486 Y HA 0.154 4.704 4.550 -0.000 0.000 0.321 486 Y C -0.373 175.477 175.900 -0.084 0.000 1.189 486 Y CA -0.643 57.443 58.100 -0.023 0.000 1.069 486 Y CB 2.096 40.538 38.460 -0.031 0.000 1.292 486 Y HN 0.951 nan 8.280 nan 0.000 0.430 487 E N 3.597 123.337 120.200 -0.766 0.000 2.250 487 E HA 0.115 4.465 4.350 -0.000 0.000 0.192 487 E C 0.734 176.875 176.600 -0.766 0.000 0.986 487 E CA 0.767 56.802 56.400 -0.608 0.000 0.849 487 E CB 0.176 29.637 29.700 -0.398 0.000 0.797 487 E HN 0.909 nan 8.360 nan 0.000 0.482 488 G N 0.063 107.964 108.800 -1.498 0.000 2.464 488 G HA2 0.157 4.117 3.960 -0.000 0.000 0.231 488 G HA3 0.157 4.117 3.960 -0.000 0.000 0.231 488 G C 0.808 175.543 174.900 -0.275 0.000 1.267 488 G CA 0.399 45.025 45.100 -0.789 0.000 0.863 488 G HN 0.390 nan 8.290 nan 0.000 0.559 489 G N -0.247 108.495 108.800 -0.096 0.000 2.198 489 G HA2 0.230 4.190 3.960 -0.000 0.000 0.260 489 G HA3 0.230 4.190 3.960 -0.000 0.000 0.260 489 G C 1.290 176.175 174.900 -0.026 0.000 1.025 489 G CA 0.999 46.103 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 1.089 176.080 174.900 0.152 0.000 1.000 490 G CA 1.328 46.468 45.100 0.066 0.000 0.663 490 G HN 2.340 nan 8.290 nan 0.000 0.493 491 A N -0.155 122.650 122.820 -0.025 0.000 3.413 491 A HA -0.113 4.207 4.320 -0.000 0.000 0.268 491 A C 1.093 178.624 177.584 -0.089 0.000 1.128 491 A CA 2.665 54.640 52.037 -0.103 0.000 1.062 491 A CB -1.809 17.100 19.000 -0.151 0.000 1.121 491 A HN 2.111 nan 8.150 nan 0.000 0.895 492 D N -1.097 119.318 120.400 0.025 0.000 2.692 492 D HA 0.300 4.940 4.640 -0.000 0.000 0.290 492 D C 0.433 176.722 176.300 -0.019 0.000 1.455 492 D CA 0.841 54.863 54.000 0.036 0.000 0.796 492 D CB -1.154 39.798 40.800 0.253 0.000 1.131 492 D HN 0.846 nan 8.370 nan 0.000 0.467 493 T N -2.451 112.028 114.554 -0.126 0.000 2.698 493 T HA 0.146 4.496 4.350 -0.000 0.000 0.295 493 T C 1.615 176.183 174.700 -0.219 0.000 1.007 493 T CA 0.581 62.534 62.100 -0.245 0.000 0.980 493 T CB 1.030 69.539 68.868 -0.598 0.000 1.036 493 T HN 0.078 nan 8.240 nan 0.000 0.526 494 T N -2.144 112.269 114.554 -0.236 0.000 3.113 494 T HA 0.128 4.478 4.350 -0.000 0.000 0.263 494 T C 1.647 176.100 174.700 -0.412 0.000 1.143 494 T CA 0.599 62.574 62.100 -0.209 0.000 1.090 494 T CB -0.770 68.045 68.868 -0.088 0.000 0.922 494 T HN 0.836 nan 8.240 nan 0.000 0.521 495 A N 0.140 122.751 122.820 -0.349 0.000 2.337 495 A HA 0.464 4.784 4.320 -0.000 0.000 0.227 495 A C 0.979 178.381 177.584 -0.304 0.000 1.259 495 A CA -0.026 51.759 52.037 -0.420 0.000 0.870 495 A CB -0.111 18.899 19.000 0.017 0.000 0.927 495 A HN 0.492 nan 8.150 nan 0.000 0.497 496 T N -1.531 112.885 114.554 -0.231 0.000 2.912 496 T HA 0.386 4.735 4.350 -0.000 0.000 0.299 496 T C -0.561 174.169 174.700 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 2.620 123.127 120.400 0.178 0.000 2.349 497 D HA 0.304 4.944 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 0.662 54.751 54.000 0.148 0.000 0.870 497 D CB 0.397 41.310 40.800 0.189 0.000 0.917 497 D HN 0.512 nan 8.370 nan 0.000 0.524 498 I N 0.472 121.058 120.570 0.027 0.000 2.769 498 I HA 0.253 4.423 4.170 -0.000 0.000 0.298 498 I C -0.428 175.631 176.117 -0.097 0.000 1.128 498 I CA -0.954 60.326 61.300 -0.032 0.000 1.031 498 I CB 2.996 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 4.907 125.375 120.570 -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 -0.164 60.948 61.300 -0.313 0.000 1.333 499 I CB 0.047 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 5.420 124.552 119.300 -0.281 0.000 3.273 500 C HA 0.504 4.964 4.460 -0.000 0.000 0.227 500 C C -2.191 172.665 174.990 -0.222 0.000 1.409 500 C CA -2.267 56.627 59.018 -0.208 0.000 1.516 500 C CB -0.887 26.786 27.740 -0.111 0.000 1.853 500 C HN 0.408 nan 8.230 nan 0.000 0.472 501 P HA 0.439 nan 4.420 nan 0.000 0.275 501 P C -0.514 176.719 177.300 -0.112 0.000 1.266 501 P CA -0.033 62.956 63.100 -0.186 0.000 0.793 501 P CB 0.694 32.282 31.700 -0.186 0.000 1.074 502 M N -0.890 118.673 119.600 -0.062 0.000 2.204 502 M HA 0.483 4.962 4.480 -0.000 0.000 0.293 502 M C -1.083 175.202 176.300 -0.026 0.000 0.994 502 M CA -0.632 54.546 55.300 -0.203 0.000 0.925 502 M CB 1.652 34.087 32.600 -0.275 0.000 1.577 502 M HN 0.353 nan 8.290 nan 0.000 0.439 503 Y N -0.326 120.124 120.300 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 1.007 nan 8.280 nan 0.000 0.655 504 A N 1.094 124.121 122.820 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 -0.376 51.865 52.037 0.339 0.000 0.781 504 A CB 0.412 19.638 19.000 0.376 0.000 1.019 504 A HN 0.408 nan 8.150 nan 0.000 0.490 505 R N 1.128 121.757 120.500 0.216 0.000 2.543 505 R HA 0.359 4.699 4.340 -0.000 0.000 0.268 505 R C 1.097 177.364 176.300 -0.054 0.000 1.067 505 R CA -0.685 55.477 56.100 0.102 0.000 1.142 505 R CB 0.762 31.099 30.300 0.062 0.000 1.110 505 R HN 0.481 nan 8.270 nan 0.000 0.549 506 V N 0.671 120.406 119.914 -0.298 0.000 2.270 506 V HA -0.212 3.908 4.120 -0.000 0.000 0.245 506 V C 0.868 176.844 176.094 -0.195 0.000 1.043 506 V CA 1.899 63.972 62.300 -0.378 0.000 1.014 506 V CB -0.227 31.264 31.823 -0.553 0.000 0.645 506 V HN 0.767 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 0.747 177.028 176.300 -0.031 0.000 1.120 507 D CA 0.050 54.004 54.000 -0.077 0.000 0.836 507 D CB 0.948 41.707 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 -1.036 175.569 176.600 0.007 0.000 0.945 508 E CA -0.621 55.776 56.400 -0.005 0.000 0.792 508 E CB 1.462 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 3.239 123.640 120.400 0.002 0.000 2.225 509 D HA 0.183 4.823 4.640 -0.000 0.000 0.249 509 D C -0.752 175.450 176.300 -0.164 0.000 1.052 509 D CA -0.025 53.968 54.000 -0.012 0.000 0.909 509 D CB 1.409 42.261 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 -0.689 0.000 0.707 510 Q CB 2.453 30.803 28.738 -0.645 0.000 1.247 510 Q HN 0.119 nan 8.270 nan 0.000 0.491 511 P HA 0.066 nan 4.420 nan 0.000 0.220 511 P C -0.852 176.093 177.300 -0.592 0.000 1.806 511 P CA -0.135 62.540 63.100 -0.708 0.000 0.976 511 P CB -0.531 30.955 31.700 -0.357 0.000 1.952 512 F N 2.439 122.236 119.950 -0.254 0.000 2.459 512 F HA 0.261 4.788 4.527 -0.000 0.000 0.346 512 F C -1.216 174.478 175.800 -0.177 0.000 1.128 512 F CA -2.627 55.270 58.000 -0.171 0.000 1.268 512 F CB -0.453 38.463 39.000 -0.140 0.000 1.161 512 F HN 0.054 nan 8.300 nan 0.000 0.583 513 P HA 0.033 nan 4.420 nan 0.000 0.266 513 P C 0.388 177.703 177.300 0.025 0.000 1.195 513 P CA 0.969 64.084 63.100 0.025 0.000 0.768 513 P CB 1.012 32.728 31.700 0.028 0.000 0.838 514 A N 2.835 125.655 122.820 0.000 0.000 3.292 514 A HA -0.258 4.062 4.320 -0.000 0.000 0.241 514 A C 0.715 178.294 177.584 -0.009 0.000 0.569 514 A CA 2.177 54.216 52.037 0.003 0.000 1.149 514 A CB -2.677 16.329 19.000 0.010 0.000 1.321 514 A HN 0.752 nan 8.150 nan 0.000 0.679 515 V N -3.562 116.349 119.914 -0.005 0.000 2.546 515 V HA 0.574 4.694 4.120 -0.000 0.000 0.260 515 V C -2.665 173.431 176.094 0.004 0.000 0.933 515 V CA -1.250 61.043 62.300 -0.011 0.000 0.994 515 V CB 0.898 32.724 31.823 0.004 0.000 1.160 515 V HN 0.439 nan 8.190 nan 0.000 0.523 516 P HA 0.345 nan 4.420 nan 0.000 0.274 516 P C -0.728 176.126 177.300 -0.743 0.000 1.231 516 P CA 0.052 62.797 63.100 -0.592 0.000 0.790 516 P CB 0.966 31.918 31.700 -1.248 0.000 0.951 517 K N 2.133 122.149 120.400 -0.640 0.000 2.464 517 K HA 0.243 4.563 4.320 -0.000 0.000 0.252 517 K C -0.481 175.840 176.600 -0.464 0.000 1.000 517 K CA -0.286 55.789 56.287 -0.354 0.000 0.951 517 K CB 0.634 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 -0.456 0.000 2.126 518 W HA 0.046 4.706 4.660 -0.000 0.000 0.346 518 W C 1.333 177.870 176.519 0.030 0.000 1.279 518 W CA -0.653 56.514 57.345 -0.297 0.000 1.259 518 W CB 0.516 29.641 29.460 -0.558 0.000 1.133 518 W HN 0.441 nan 8.180 nan 0.000 0.592 519 S N 3.197 119.061 115.700 0.273 0.000 2.558 519 S HA -0.067 4.403 4.470 -0.000 0.000 0.288 519 S C 1.133 175.876 174.600 0.239 0.000 1.318 519 S CA -0.228 58.072 58.200 0.167 0.000 1.056 519 S CB 0.259 63.491 63.200 0.054 0.000 0.853 519 S HN 0.549 nan 8.310 nan 0.000 0.505 520 I N 1.428 122.096 120.570 0.165 0.000 2.361 520 I HA -0.176 3.994 4.170 -0.000 0.000 0.251 520 I C 1.867 178.005 176.117 0.036 0.000 1.133 520 I CA 1.229 62.625 61.300 0.160 0.000 1.413 520 I CB -0.572 37.462 38.000 0.056 0.000 1.073 520 I HN 0.653 nan 8.210 nan 0.000 0.424 521 K N 1.943 122.273 120.400 -0.118 0.000 2.148 521 K HA -0.159 4.161 4.320 -0.000 0.000 0.204 521 K C 2.153 178.737 176.600 -0.027 0.000 1.050 521 K CA 1.534 57.683 56.287 -0.230 0.000 0.942 521 K CB -0.283 31.985 32.500 -0.386 0.000 0.724 521 K HN 0.437 nan 8.250 nan 0.000 0.446 522 K N 0.679 121.089 120.400 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 0.644 56.920 56.287 -0.018 0.000 0.941 522 K CB -0.091 32.364 32.500 -0.076 0.000 0.719 522 K HN 0.172 nan 8.250 nan 0.000 0.440 523 W N 2.082 123.344 121.300 -0.064 0.000 2.321 523 W HA -0.233 4.427 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 1.339 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 0.792 122.162 121.223 0.245 0.000 2.081 524 L HA -0.274 4.066 4.340 -0.000 0.000 0.212 524 L C 2.539 179.465 176.870 0.093 0.000 1.080 524 L CA 2.089 57.007 54.840 0.131 0.000 0.754 524 L CB -1.012 41.105 42.059 0.097 0.000 0.893 524 L HN 0.026 nan 8.230 nan 0.000 0.433 525 S N -1.037 114.696 115.700 0.056 0.000 2.593 525 S HA 0.132 4.602 4.470 -0.000 0.000 0.217 525 S C 0.744 175.320 174.600 -0.041 0.000 0.966 525 S CA -0.462 57.743 58.200 0.008 0.000 0.914 525 S CB -0.479 62.721 63.200 -0.001 0.000 0.776 525 S HN 0.199 nan 8.310 nan 0.000 0.523 526 L N 2.191 123.378 121.223 -0.060 0.000 2.506 526 L HA 0.243 4.583 4.340 -0.000 0.000 0.281 526 L C -2.213 174.624 176.870 -0.055 0.000 1.228 526 L CA -1.719 53.048 54.840 -0.122 0.000 0.850 526 L CB -0.437 41.514 42.059 -0.178 0.000 1.110 526 L HN 0.045 nan 8.230 nan 0.000 0.496 527 P HA 0.002 nan 4.420 nan 0.000 0.260 527 P C 0.835 178.125 177.300 -0.015 0.000 1.185 527 P CA 0.989 64.065 63.100 -0.040 0.000 0.763 527 P CB 0.696 32.367 31.700 -0.048 0.000 0.776 528 G N 2.041 110.839 108.800 -0.003 0.000 2.253 528 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.251 528 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.251 528 G C 0.314 175.227 174.900 0.023 0.000 0.998 528 G CA 0.135 45.241 45.100 0.010 0.000 0.621 528 G HN 0.627 nan 8.290 nan 0.000 0.524 529 E N 1.208 121.427 120.200 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 0.991 57.423 56.400 0.053 0.000 0.903 529 E CB 0.784 30.544 29.700 0.101 0.000 0.963 529 E HN 0.669 nan 8.360 nan 0.000 0.432 530 T N 0.522 115.095 114.554 0.030 0.000 3.092 530 T HA 0.302 4.651 4.350 -0.000 0.000 0.273 530 T C 0.579 175.285 174.700 0.011 0.000 0.898 530 T CA -0.454 61.658 62.100 0.020 0.000 0.868 530 T CB 0.042 68.921 68.868 0.019 0.000 1.228 530 T HN 0.276 nan 8.240 nan 0.000 0.555 531 R N 2.167 122.669 120.500 0.004 0.000 2.707 531 R HA 0.467 4.807 4.340 -0.000 0.000 0.270 531 R C -2.563 173.716 176.300 -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 30.325 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 -1.339 175.891 177.300 -0.115 0.000 1.252 532 P CA -0.411 62.647 63.100 -0.071 0.000 0.811 532 P CB 0.652 32.312 31.700 -0.068 0.000 1.035 533 L N 1.934 123.069 121.223 -0.146 0.000 2.356 533 L HA 0.656 4.996 4.340 -0.000 0.000 0.277 533 L C -1.377 175.355 176.870 -0.230 0.000 0.996 533 L CA -0.293 54.423 54.840 -0.206 0.000 0.822 533 L CB 0.855 42.755 42.059 -0.265 0.000 1.256 533 L HN 0.221 nan 8.230 nan 0.000 0.413 534 I N 5.457 125.893 120.570 -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 -0.639 60.520 61.300 -0.236 0.000 1.056 534 I CB 2.070 39.983 38.000 -0.146 0.000 1.229 534 I HN 0.546 nan 8.210 nan 0.000 0.429 535 L N 5.475 126.570 121.223 -0.214 0.000 2.360 535 L HA 0.121 4.461 4.340 -0.000 0.000 0.276 535 L C 1.422 178.355 176.870 0.105 0.000 1.121 535 L CA -0.262 54.514 54.840 -0.106 0.000 0.845 535 L CB 0.857 42.819 42.059 -0.161 0.000 1.143 535 L HN 0.868 nan 8.230 nan 0.000 0.452 536 C N 0.342 119.690 119.300 0.079 0.000 2.446 536 C HA 0.114 4.574 4.460 -0.000 0.000 0.279 536 C C 0.620 175.743 174.990 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 0.006 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 1.920 31.475 29.700 -0.241 0.000 1.225 537 E HN 0.689 nan 8.360 nan 0.000 0.417 538 Y N -0.824 119.441 120.300 -0.058 0.000 2.677 538 Y HA 0.606 5.156 4.550 -0.000 0.000 0.334 538 Y C -0.806 175.261 175.900 0.278 0.000 1.196 538 Y CA -0.755 57.346 58.100 0.001 0.000 1.059 538 Y CB 0.991 39.360 38.460 -0.152 0.000 1.315 538 Y HN 0.679 nan 8.280 nan 0.000 0.455 539 A N 2.145 125.031 122.820 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 1.001 53.080 52.037 0.071 0.000 0.734 539 A CB -2.531 16.343 19.000 -0.209 0.000 1.145 539 A HN 1.137 nan 8.150 nan 0.000 0.374 540 H N 0.583 119.825 119.070 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 0.861 nan 8.280 nan 0.000 0.528 541 A N 6.451 129.192 122.820 -0.132 0.000 2.543 541 A HA 0.034 4.354 4.320 -0.000 0.000 0.258 541 A C 0.965 178.399 177.584 -0.251 0.000 1.391 541 A CA -0.344 51.578 52.037 -0.192 0.000 1.066 541 A CB -0.574 18.300 19.000 -0.210 0.000 0.972 541 A HN 0.794 nan 8.150 nan 0.000 0.560 542 M N 1.525 120.952 119.600 -0.288 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 1.268 56.408 55.300 -0.267 0.000 1.278 542 M CB -0.524 31.956 32.600 -0.201 0.000 1.657 542 M HN 0.802 nan 8.290 nan 0.000 0.455 543 G N 4.308 112.936 108.800 -0.288 0.000 2.527 543 G HA2 -0.335 3.624 3.960 -0.000 0.000 0.268 543 G HA3 -0.335 3.624 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 44.792 45.100 -0.548 0.000 0.962 543 G HN 0.793 nan 8.290 nan 0.000 0.560 544 N N 1.525 119.581 118.700 -1.072 0.000 2.549 544 N HA 0.491 5.231 4.740 -0.000 0.000 0.267 544 N C 0.030 175.285 175.510 -0.424 0.000 1.182 544 N CA 1.121 53.707 53.050 -0.773 0.000 1.019 544 N CB 0.278 38.335 38.487 -0.717 0.000 1.380 544 N HN 0.741 nan 8.380 nan 0.000 0.505 545 S N 1.591 117.122 115.700 -0.281 0.000 2.998 545 S HA 0.619 5.089 4.470 -0.000 0.000 0.323 545 S C -0.017 174.506 174.600 -0.129 0.000 1.141 545 S CA -0.383 57.705 58.200 -0.186 0.000 0.873 545 S CB 0.287 63.399 63.200 -0.147 0.000 1.315 545 S HN 0.352 nan 8.310 nan 0.000 0.637 546 L N 0.103 121.279 121.223 -0.078 0.000 4.793 546 L HA -0.059 4.280 4.340 -0.000 0.000 0.404 546 L C 0.488 177.381 176.870 0.038 0.000 1.022 546 L CA 0.956 55.767 54.840 -0.048 0.000 1.242 546 L CB -1.807 40.142 42.059 -0.182 0.000 2.049 546 L HN 0.709 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 1.810 110.665 108.800 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 1.132 176.247 174.900 0.359 0.000 0.991 548 G CA 0.751 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 2.196 122.283 119.950 0.227 0.000 2.085 549 F HA -0.039 4.488 4.527 -0.000 0.000 0.299 549 F C 2.778 178.807 175.800 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 0.201 0.000 0.983 549 F HN 0.420 nan 8.300 nan 0.000 0.482 550 A N -0.442 122.545 122.820 0.279 0.000 1.978 550 A HA -0.235 4.085 4.320 -0.000 0.000 0.220 550 A C 2.312 179.918 177.584 0.037 0.000 1.170 550 A CA 1.746 53.868 52.037 0.142 0.000 0.636 550 A CB -0.749 18.339 19.000 0.147 0.000 0.810 550 A HN 0.438 nan 8.150 nan 0.000 0.448 551 K N -1.545 118.870 120.400 0.025 0.000 2.074 551 K HA -0.212 4.108 4.320 -0.000 0.000 0.209 551 K C 1.809 178.199 176.600 -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 -0.955 119.075 120.300 -0.451 0.000 2.163 552 Y HA -0.240 4.310 4.550 -0.000 0.000 0.288 552 Y C 2.132 177.081 175.900 -1.584 0.000 1.136 552 Y CA 1.348 58.823 58.100 -1.042 0.000 1.147 552 Y CB -0.425 37.392 38.460 -1.073 0.000 0.987 552 Y HN 0.173 nan 8.280 nan 0.000 0.509 553 W N 0.618 121.491 121.300 -0.713 0.000 2.350 553 W HA -0.233 4.427 4.660 -0.000 0.000 0.289 553 W C 2.666 178.997 176.519 -0.314 0.000 1.215 553 W CA 1.936 58.975 57.345 -0.510 0.000 1.236 553 W CB -0.559 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 0.483 120.183 119.800 -0.167 0.000 2.123 554 Q HA -0.138 4.202 4.340 -0.000 0.000 0.199 554 Q C 2.176 178.109 176.000 -0.113 0.000 0.966 554 Q CA 1.814 57.566 55.803 -0.085 0.000 0.845 554 Q CB -0.486 28.228 28.738 -0.039 0.000 0.907 554 Q HN 0.215 nan 8.270 nan 0.000 0.439 555 A N 0.753 123.412 122.820 -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 1.162 53.082 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 -0.289 119.495 119.950 -0.276 0.000 2.091 556 F HA -0.253 4.273 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 -0.650 0.000 0.984 556 F HN 0.151 nan 8.300 nan 0.000 0.477 557 R N 0.081 120.648 120.500 0.113 0.000 2.148 557 R HA -0.186 4.154 4.340 -0.000 0.000 0.227 557 R C 2.041 178.383 176.300 0.071 0.000 1.103 557 R CA 1.288 57.436 56.100 0.080 0.000 0.983 557 R CB -0.396 29.945 30.300 0.068 0.000 0.874 557 R HN 0.444 nan 8.270 nan 0.000 0.451 558 Q N -0.451 119.423 119.800 0.122 0.000 2.402 558 Q HA -0.013 4.327 4.340 -0.000 0.000 0.206 558 Q C -0.611 175.439 176.000 0.082 0.000 0.919 558 Q CA 0.488 56.351 55.803 0.100 0.000 0.923 558 Q CB 0.562 29.376 28.738 0.126 0.000 1.048 558 Q HN 0.179 nan 8.270 nan 0.000 0.515 559 Y N 0.494 120.777 120.300 -0.028 0.000 2.345 559 Y HA 0.314 4.864 4.550 -0.000 0.000 0.331 559 Y C -1.792 174.083 175.900 -0.041 0.000 0.959 559 Y CA -2.909 55.173 58.100 -0.030 0.000 1.204 559 Y CB 1.552 39.997 38.460 -0.025 0.000 1.135 559 Y HN 0.069 nan 8.280 nan 0.000 0.477 560 P HA -0.245 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 1.853 64.960 63.100 0.010 0.000 0.887 560 P CB 0.352 32.043 31.700 -0.016 0.000 0.792 561 R N -1.115 119.406 120.500 0.035 0.000 2.323 561 R HA 0.095 4.435 4.340 -0.000 0.000 0.198 561 R C 0.571 176.849 176.300 -0.036 0.000 0.988 561 R CA 0.146 56.246 56.100 0.000 0.000 1.041 561 R CB -0.480 29.829 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 0.671 177.396 176.870 -0.241 0.000 1.075 562 L CA 0.029 54.810 54.840 -0.098 0.000 0.839 562 L CB 1.271 43.338 42.059 0.014 0.000 1.219 562 L HN 0.001 nan 8.230 nan 0.000 0.434 563 Q N 2.903 122.500 119.800 -0.339 0.000 2.212 563 Q HA 0.341 4.681 4.340 -0.000 0.000 0.213 563 Q C 0.846 176.445 176.000 -0.668 0.000 0.874 563 Q CA 0.098 55.659 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 -0.329 107.713 108.800 -1.264 0.000 2.378 564 G HA2 0.154 4.114 3.960 -0.000 0.000 0.198 564 G HA3 0.154 4.114 3.960 -0.000 0.000 0.198 564 G C -0.365 173.777 174.900 -1.263 0.000 1.223 564 G CA -0.744 43.316 45.100 -1.734 0.000 1.088 564 G HN 0.586 nan 8.290 nan 0.000 0.530 565 G N -2.213 106.083 108.800 -0.840 0.000 2.349 565 G HA2 0.655 4.614 3.960 -0.000 0.000 0.294 565 G HA3 0.655 4.614 3.960 -0.000 0.000 0.294 565 G C -1.853 172.939 174.900 -0.180 0.000 1.380 565 G CA -0.308 44.499 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 41.314 39.000 0.264 0.000 1.146 566 F HN 0.266 nan 8.300 nan 0.000 0.444 567 V N 2.882 123.111 119.914 0.525 0.000 2.963 567 V HA -0.061 4.058 4.120 -0.000 0.000 0.306 567 V C -0.371 175.890 176.094 0.278 0.000 1.077 567 V CA -0.444 61.964 62.300 0.180 0.000 1.124 567 V CB 1.015 32.925 31.823 0.145 0.000 0.987 567 V HN 0.786 nan 8.190 nan 0.000 0.487 568 W N 5.996 127.363 121.300 0.111 0.000 2.336 568 W HA 0.471 5.130 4.660 -0.000 0.000 0.315 568 W C -1.055 175.490 176.519 0.042 0.000 1.016 568 W CA -0.656 56.795 57.345 0.176 0.000 1.318 568 W CB 1.422 31.129 29.460 0.412 0.000 1.247 568 W HN 0.924 nan 8.180 nan 0.000 0.414 569 D N 2.604 122.649 120.400 -0.592 0.000 2.812 569 D HA 0.114 4.753 4.640 -0.000 0.000 0.318 569 D C 0.780 176.863 176.300 -0.362 0.000 1.234 569 D CA -0.551 53.007 54.000 -0.736 0.000 0.989 569 D CB 0.238 40.051 40.800 -1.645 0.000 1.442 569 D HN 0.407 nan 8.370 nan 0.000 0.537 570 W N 0.559 121.553 121.300 -0.511 0.000 2.348 570 W HA 0.035 4.694 4.660 -0.000 0.000 0.324 570 W C -0.069 176.223 176.519 -0.378 0.000 1.209 570 W CA 1.481 58.580 57.345 -0.409 0.000 1.275 570 W CB 0.115 29.369 29.460 -0.345 0.000 1.175 570 W HN 0.203 nan 8.180 nan 0.000 0.461 571 V N 0.916 120.627 119.914 -0.338 0.000 2.919 571 V HA 0.296 4.416 4.120 -0.000 0.000 0.316 571 V C -0.449 175.451 176.094 -0.323 0.000 1.077 571 V CA -1.106 60.932 62.300 -0.436 0.000 0.977 571 V CB 1.348 33.050 31.823 -0.203 0.000 1.039 571 V HN -0.084 nan 8.190 nan 0.000 0.441 572 D N 1.579 121.807 120.400 -0.286 0.000 2.382 572 D HA 0.171 4.811 4.640 -0.000 0.000 0.245 572 D C -0.023 176.130 176.300 -0.244 0.000 1.120 572 D CA 0.204 54.083 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 0.606 nan 8.370 nan 0.000 0.433 573 Q N 0.998 120.587 119.800 -0.351 0.000 3.207 573 Q HA 0.154 4.493 4.340 -0.000 0.000 0.335 573 Q C -0.347 175.603 176.000 -0.083 0.000 1.374 573 Q CA -0.342 55.043 55.803 -0.696 0.000 1.023 573 Q CB 0.245 28.649 28.738 -0.557 0.000 1.576 573 Q HN 0.355 nan 8.270 nan 0.000 0.515 574 S N 0.025 115.805 115.700 0.133 0.000 2.549 574 S HA 0.698 5.168 4.470 -0.000 0.000 0.297 574 S C -0.283 174.492 174.600 0.292 0.000 1.115 574 S CA -0.815 57.568 58.200 0.305 0.000 1.059 574 S CB 1.561 64.907 63.200 0.242 0.000 1.046 574 S HN 0.318 nan 8.310 nan 0.000 0.506 575 L N 1.774 123.089 121.223 0.152 0.000 2.322 575 L HA 0.612 4.952 4.340 -0.000 0.000 0.269 575 L C -0.431 176.337 176.870 -0.170 0.000 1.012 575 L CA -1.136 53.663 54.840 -0.068 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 -0.265 0.000 2.440 576 I HA 0.297 4.467 4.170 -0.000 0.000 0.294 576 I C -0.016 175.708 176.117 -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 38.821 38.000 -0.428 0.000 1.407 576 I HN 0.511 nan 8.210 nan 0.000 0.501 577 K N 4.232 123.938 120.400 -1.157 0.000 2.466 577 K HA 0.584 4.904 4.320 -0.000 0.000 0.260 577 K C -1.782 174.077 176.600 -1.235 0.000 1.011 577 K CA -0.874 54.710 56.287 -1.171 0.000 0.871 577 K CB 2.339 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 0.472 120.620 120.300 -0.253 0.000 2.499 578 Y HA 0.180 4.730 4.550 -0.000 0.000 0.347 578 Y C -0.076 176.007 175.900 0.304 0.000 0.987 578 Y CA -1.089 57.046 58.100 0.059 0.000 1.044 578 Y CB 1.375 39.844 38.460 0.015 0.000 1.245 578 Y HN 0.647 nan 8.280 nan 0.000 0.461 579 D N 0.106 120.800 120.400 0.490 0.000 2.388 579 D HA 0.054 4.694 4.640 -0.000 0.000 0.254 579 D C 0.966 177.389 176.300 0.204 0.000 1.111 579 D CA -0.568 53.611 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 0.869 121.139 120.200 0.117 0.000 2.219 580 E HA -0.265 4.085 4.350 -0.000 0.000 0.198 580 E C 0.215 176.853 176.600 0.063 0.000 0.998 580 E CA 1.089 57.531 56.400 0.070 0.000 0.818 580 E CB -0.798 28.924 29.700 0.037 0.000 0.741 580 E HN 0.484 nan 8.360 nan 0.000 0.477 581 N N 1.121 119.867 118.700 0.077 0.000 2.421 581 N HA 0.125 4.865 4.740 -0.000 0.000 0.201 581 N C 0.848 176.411 175.510 0.089 0.000 1.198 581 N CA 0.837 53.926 53.050 0.066 0.000 0.838 581 N CB 0.254 38.775 38.487 0.056 0.000 1.011 581 N HN 0.411 nan 8.380 nan 0.000 0.463 582 G N 0.682 109.551 108.800 0.116 0.000 2.249 582 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.273 582 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.273 582 G C -0.439 174.640 174.900 0.299 0.000 1.036 582 G CA -0.265 44.909 45.100 0.124 0.000 0.824 582 G HN 0.305 nan 8.290 nan 0.000 0.504 583 N N 1.113 120.012 118.700 0.331 0.000 2.438 583 N HA 0.500 5.239 4.740 -0.000 0.000 0.282 583 N C -2.472 173.233 175.510 0.325 0.000 1.037 583 N CA -1.489 51.747 53.050 0.310 0.000 0.942 583 N CB 2.058 40.666 38.487 0.203 0.000 1.136 583 N HN 0.140 nan 8.380 nan 0.000 0.481 584 P HA 0.328 nan 4.420 nan 0.000 0.284 584 P C -0.585 176.641 177.300 -0.125 0.000 1.253 584 P CA -0.367 62.474 63.100 -0.432 0.000 0.800 584 P CB 0.676 32.163 31.700 -0.355 0.000 0.961 585 W N -0.212 120.828 121.300 -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 -0.995 56.122 57.345 -0.379 0.000 1.193 585 W CB 0.195 29.291 29.460 -0.607 0.000 1.383 585 W HN 0.140 nan 8.180 nan 0.000 0.545 586 S N 1.934 117.635 115.700 0.002 0.000 2.488 586 S HA 0.539 5.009 4.470 -0.000 0.000 0.278 586 S C 0.264 174.966 174.600 0.171 0.000 1.259 586 S CA -0.160 58.052 58.200 0.020 0.000 1.061 586 S CB 0.891 64.166 63.200 0.125 0.000 0.910 586 S HN 0.655 nan 8.310 nan 0.000 0.491 587 A N 2.817 125.617 122.820 -0.033 0.000 2.311 587 A HA 0.897 5.217 4.320 -0.000 0.000 0.334 587 A C -0.621 177.221 177.584 0.431 0.000 1.139 587 A CA -0.789 51.297 52.037 0.082 0.000 0.830 587 A CB 0.717 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 -1.104 119.523 120.300 0.545 0.000 2.974 588 Y HA 0.749 5.299 4.550 -0.000 0.000 0.310 588 Y C 0.592 176.833 175.900 0.568 0.000 1.526 588 Y CA -1.325 57.078 58.100 0.505 0.000 1.087 588 Y CB -0.034 38.542 38.460 0.194 0.000 1.404 588 Y HN 0.999 nan 8.280 nan 0.000 0.491 589 G N 0.084 109.265 108.800 0.635 0.000 2.187 589 G HA2 0.356 4.316 3.960 -0.000 0.000 0.239 589 G HA3 0.356 4.316 3.960 -0.000 0.000 0.239 589 G C 1.027 176.262 174.900 0.559 0.000 1.200 589 G CA 0.572 45.991 45.100 0.531 0.000 0.888 589 G HN 2.040 nan 8.290 nan 0.000 0.482 590 G N 2.307 111.402 108.800 0.491 0.000 2.234 590 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.260 590 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.260 590 G C 0.916 176.032 174.900 0.361 0.000 0.987 590 G CA 0.764 46.094 45.100 0.383 0.000 0.625 590 G HN 0.671 nan 8.290 nan 0.000 0.532 591 D N -0.324 120.328 120.400 0.420 0.000 2.378 591 D HA 0.110 4.750 4.640 -0.000 0.000 0.222 591 D C 1.261 177.457 176.300 -0.174 0.000 0.980 591 D CA 0.624 54.712 54.000 0.148 0.000 0.907 591 D CB -0.207 40.640 40.800 0.078 0.000 0.899 591 D HN 0.479 nan 8.370 nan 0.000 0.527 592 F N -1.042 119.030 119.950 0.203 0.000 2.735 592 F HA 0.332 4.859 4.527 -0.000 0.000 0.304 592 F C 1.745 177.635 175.800 0.150 0.000 1.119 592 F CA -0.359 57.725 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 0.599 109.562 108.800 0.271 0.000 2.175 593 G HA2 -0.304 3.655 3.960 -0.000 0.000 0.265 593 G HA3 -0.304 3.655 3.960 -0.000 0.000 0.265 593 G C -0.066 174.979 174.900 0.242 0.000 0.979 593 G CA 0.324 45.551 45.100 0.212 0.000 0.663 593 G HN 0.461 nan 8.290 nan 0.000 0.533 594 D N 0.532 121.131 120.400 0.332 0.000 2.450 594 D HA 0.403 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 42.171 40.800 0.403 0.000 1.163 594 D HN 0.072 nan 8.370 nan 0.000 0.472 595 T N 2.388 117.041 114.554 0.164 0.000 2.952 595 T HA 0.460 4.810 4.350 -0.000 0.000 0.305 595 T C -2.359 172.383 174.700 0.069 0.000 1.064 595 T CA -0.944 61.219 62.100 0.107 0.000 1.008 595 T CB 2.002 70.928 68.868 0.097 0.000 1.078 595 T HN 0.389 nan 8.240 nan 0.000 0.459 596 P HA 0.531 nan 4.420 nan 0.000 0.279 596 P C -1.100 176.190 177.300 -0.016 0.000 1.276 596 P CA -0.667 62.435 63.100 0.002 0.000 0.801 596 P CB 0.750 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 -1.272 174.203 175.510 -0.060 0.000 1.402 597 N CA -0.546 52.479 53.050 -0.041 0.000 0.829 597 N CB 1.320 39.881 38.487 0.124 0.000 1.495 597 N HN 0.211 nan 8.380 nan 0.000 0.511 598 D N 0.214 120.555 120.400 -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 53.801 54.000 0.030 0.000 0.835 598 D CB 0.845 41.489 40.800 -0.260 0.000 1.080 598 D HN 0.590 nan 8.370 nan 0.000 0.482 599 R N 0.294 120.996 120.500 0.337 0.000 3.587 599 R HA -0.366 3.974 4.340 -0.000 0.000 0.556 599 R C 0.945 177.241 176.300 -0.007 0.000 0.241 599 R CA 1.455 57.726 56.100 0.285 0.000 1.724 599 R CB -1.359 29.017 30.300 0.127 0.000 0.885 599 R HN 0.067 nan 8.270 nan 0.000 0.613 600 Q N 0.643 120.126 119.800 -0.528 0.000 2.437 600 Q HA 0.105 4.445 4.340 -0.000 0.000 0.210 600 Q C 1.810 177.526 176.000 -0.474 0.000 0.972 600 Q CA 1.531 56.861 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 0.682 120.528 119.950 -0.172 0.000 2.271 601 F HA -0.252 4.275 4.527 -0.000 0.000 0.302 601 F C 1.877 177.625 175.800 -0.085 0.000 1.063 601 F CA 1.043 59.032 58.000 -0.020 0.000 1.362 601 F CB -0.441 38.611 39.000 0.087 0.000 1.060 601 F HN 0.325 nan 8.300 nan 0.000 0.521 602 C N -1.376 117.670 119.300 -0.424 0.000 2.539 602 C HA 0.179 4.639 4.460 -0.000 0.000 0.271 602 C C 1.003 175.797 174.990 -0.327 0.000 1.412 602 C CA -0.484 58.136 59.018 -0.663 0.000 1.729 602 C CB -1.894 24.945 27.740 -1.503 0.000 1.739 602 C HN 0.205 nan 8.230 nan 0.000 0.570 603 M N 3.158 122.605 119.600 -0.255 0.000 2.060 603 M HA 0.321 4.801 4.480 -0.000 0.000 0.342 603 M C -0.432 175.753 176.300 -0.191 0.000 1.031 603 M CA 0.233 55.415 55.300 -0.197 0.000 0.981 603 M CB 0.390 32.897 32.600 -0.155 0.000 1.376 603 M HN 0.274 nan 8.290 nan 0.000 0.397 604 N N 1.554 120.139 118.700 -0.191 0.000 2.307 604 N HA 0.168 4.908 4.740 -0.000 0.000 0.248 604 N C 0.176 175.482 175.510 -0.341 0.000 1.322 604 N CA -0.127 52.771 53.050 -0.252 0.000 0.861 604 N CB 1.298 39.691 38.487 -0.155 0.000 1.303 604 N HN 0.669 nan 8.380 nan 0.000 0.498 605 G N 0.035 108.596 108.800 -0.399 0.000 2.528 605 G HA2 0.471 4.431 3.960 -0.000 0.000 0.289 605 G HA3 0.471 4.431 3.960 -0.000 0.000 0.289 605 G C 0.880 175.316 174.900 -0.774 0.000 1.192 605 G CA -0.505 44.260 45.100 -0.558 0.000 0.921 605 G HN 0.102 nan 8.290 nan 0.000 0.512 606 L N -0.415 120.349 121.223 -0.765 0.000 2.446 606 L HA 0.164 4.504 4.340 -0.000 0.000 0.219 606 L C 0.690 176.918 176.870 -1.070 0.000 1.116 606 L CA 0.238 54.629 54.840 -0.748 0.000 0.844 606 L CB -0.145 41.642 42.059 -0.454 0.000 0.970 606 L HN 0.378 nan 8.230 nan 0.000 0.457 607 V N -5.233 113.943 119.914 -1.230 0.000 3.040 607 V HA 0.471 4.591 4.120 -0.000 0.000 0.312 607 V C -0.429 175.194 176.094 -0.786 0.000 1.115 607 V CA -1.241 60.470 62.300 -0.981 0.000 0.998 607 V CB 1.709 33.011 31.823 -0.868 0.000 1.042 607 V HN -0.137 nan 8.190 nan 0.000 0.433 608 F N 1.247 121.059 119.950 -0.231 0.000 2.444 608 F HA 0.559 5.085 4.527 -0.000 0.000 0.331 608 F C 1.941 177.650 175.800 -0.151 0.000 1.167 608 F CA 0.372 58.344 58.000 -0.046 0.000 1.262 608 F CB 1.407 40.413 39.000 0.010 0.000 1.196 608 F HN 0.812 nan 8.300 nan 0.000 0.583 609 A N 1.211 124.110 122.820 0.132 0.000 1.997 609 A HA -0.293 4.027 4.320 -0.000 0.000 0.221 609 A C 1.611 179.158 177.584 -0.063 0.000 1.172 609 A CA 2.180 54.230 52.037 0.022 0.000 0.645 609 A CB -1.148 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 0.636 176.914 176.300 -0.037 0.000 1.012 610 D CA 0.360 54.321 54.000 -0.066 0.000 0.905 610 D CB -0.142 40.623 40.800 -0.057 0.000 0.895 610 D HN 0.256 nan 8.370 nan 0.000 0.532 611 R N -1.033 119.445 120.500 -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 1.040 57.097 56.100 -0.071 0.000 0.786 611 R CB -3.109 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 2.435 71.390 68.868 0.145 0.000 0.933 612 T HN -0.174 nan 8.240 nan 0.000 0.442 613 P HA 0.093 nan 4.420 nan 0.000 0.267 613 P C -0.181 177.163 177.300 0.072 0.000 1.200 613 P CA -0.008 63.077 63.100 -0.026 0.000 0.772 613 P CB 0.249 31.948 31.700 -0.002 0.000 0.855 614 H N 2.932 121.800 119.070 -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 53.712 56.048 -0.356 0.000 1.290 614 H CB 0.862 30.380 29.762 -0.406 0.000 1.571 614 H HN 0.308 nan 8.280 nan 0.000 0.555 615 P HA -0.137 nan 4.420 nan 0.000 0.218 615 P C 1.250 178.546 177.300 -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 0.189 123.006 122.820 -0.004 0.000 1.958 616 A HA -0.225 4.095 4.320 -0.000 0.000 0.221 616 A C 2.154 179.687 177.584 -0.085 0.000 1.178 616 A CA 1.687 53.688 52.037 -0.061 0.000 0.642 616 A CB -1.751 17.189 19.000 -0.100 0.000 0.816 616 A HN 0.167 nan 8.150 nan 0.000 0.453 617 L N 0.016 121.203 121.223 -0.060 0.000 2.089 617 L HA -0.208 4.132 4.340 -0.000 0.000 0.213 617 L C 2.492 179.397 176.870 0.058 0.000 1.079 617 L CA 2.834 57.669 54.840 -0.008 0.000 0.758 617 L CB -1.010 41.043 42.059 -0.009 0.000 0.891 617 L HN 0.451 nan 8.230 nan 0.000 0.433 618 T N -1.334 113.259 114.554 0.065 0.000 2.737 618 T HA -0.207 4.143 4.350 -0.000 0.000 0.265 618 T C 1.713 176.514 174.700 0.168 0.000 1.038 618 T CA 1.356 63.546 62.100 0.149 0.000 1.144 618 T CB -0.237 68.703 68.868 0.120 0.000 0.866 618 T HN 0.364 nan 8.240 nan 0.000 0.434 619 E N 1.546 121.795 120.200 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 0.096 0.000 0.801 619 E CB -0.566 29.154 29.700 0.034 0.000 0.743 619 E HN 0.454 nan 8.360 nan 0.000 0.453 620 A N 0.992 123.738 122.820 -0.123 0.000 1.865 620 A HA -0.284 4.036 4.320 -0.000 0.000 0.217 620 A C 2.187 179.694 177.584 -0.128 0.000 1.191 620 A CA 2.212 54.152 52.037 -0.161 0.000 0.623 620 A CB -0.773 18.116 19.000 -0.185 0.000 0.826 620 A HN 0.310 nan 8.150 nan 0.000 0.444 621 K N -1.294 119.094 120.400 -0.020 0.000 2.044 621 K HA -0.311 4.009 4.320 -0.000 0.000 0.210 621 K C 2.065 178.576 176.600 -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 -0.255 0.000 2.293 622 H HA -0.057 4.499 4.556 -0.000 0.000 0.300 622 H C 1.946 176.995 175.328 -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 -0.508 0.000 1.375 622 H HN 0.248 nan 8.280 nan 0.000 0.495 623 Q N 0.247 119.750 119.800 -0.495 0.000 2.291 623 Q HA -0.116 4.224 4.340 -0.000 0.000 0.206 623 Q C 1.719 177.166 176.000 -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 28.439 28.738 -0.433 0.000 0.927 623 Q HN 0.727 nan 8.270 nan 0.000 0.450 624 Q N 0.570 119.832 119.800 -0.897 0.000 2.319 624 Q HA 0.038 4.378 4.340 -0.000 0.000 0.202 624 Q C 0.065 175.511 176.000 -0.924 0.000 0.896 624 Q CA -0.265 54.884 55.803 -1.089 0.000 0.942 624 Q CB 0.304 28.424 28.738 -1.029 0.000 1.083 624 Q HN 0.465 nan 8.270 nan 0.000 0.510 625 Q N -0.417 118.979 119.800 -0.672 0.000 2.414 625 Q HA -0.060 4.280 4.340 -0.000 0.000 0.288 625 Q C -0.241 175.345 176.000 -0.691 0.000 1.086 625 Q CA 0.408 55.915 55.803 -0.492 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 -0.153 119.541 119.950 -0.426 0.000 2.797 626 F HA 0.264 4.791 4.527 -0.000 0.000 0.302 626 F C -0.130 175.106 175.800 -0.939 0.000 1.130 626 F CA 0.013 57.519 58.000 -0.824 0.000 1.387 626 F CB 0.428 38.581 39.000 -1.413 0.000 1.107 626 F HN 0.344 nan 8.300 nan 0.000 0.577 627 F N 0.072 119.914 119.950 -0.180 0.000 2.532 627 F HA 0.490 5.017 4.527 -0.000 0.000 0.321 627 F C -0.234 175.231 175.800 -0.558 0.000 1.089 627 F CA -1.077 56.731 58.000 -0.321 0.000 0.926 627 F CB 1.369 40.199 39.000 -0.282 0.000 1.168 627 F HN -0.330 nan 8.300 nan 0.000 0.459 628 Q N 3.083 122.611 119.800 -0.454 0.000 2.353 628 Q HA 0.513 4.853 4.340 -0.000 0.000 0.268 628 Q C -1.458 174.199 176.000 -0.573 0.000 1.045 628 Q CA -0.642 54.894 55.803 -0.444 0.000 0.811 628 Q CB 3.054 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 0.464 120.539 119.950 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 -0.844 57.355 58.000 0.332 0.000 0.944 629 F CB 1.905 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 1.758 122.568 120.500 0.517 0.000 2.628 630 R HA 0.624 4.964 4.340 -0.000 0.000 0.288 630 R C -2.005 174.360 176.300 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 1.374 122.547 121.223 -0.083 0.000 2.333 631 L HA 0.487 4.827 4.340 -0.000 0.000 0.280 631 L C -1.009 175.710 176.870 -0.251 0.000 1.004 631 L CA 0.087 54.652 54.840 -0.457 0.000 0.820 631 L CB 1.948 43.287 42.059 -1.200 0.000 1.247 631 L HN 0.484 nan 8.230 nan 0.000 0.416 632 S N 3.784 119.358 115.700 -0.210 0.000 2.789 632 S HA 0.669 5.138 4.470 -0.000 0.000 0.286 632 S C 0.447 174.961 174.600 -0.143 0.000 1.153 632 S CA 0.201 58.319 58.200 -0.137 0.000 1.084 632 S CB 0.254 63.409 63.200 -0.076 0.000 1.036 632 S HN 1.461 nan 8.310 nan 0.000 0.484 633 G N 4.317 113.031 108.800 -0.144 0.000 2.620 633 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.315 633 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.315 633 G C 0.437 175.235 174.900 -0.169 0.000 1.179 633 G CA 0.717 45.737 45.100 -0.132 0.000 0.971 633 G HN 0.652 nan 8.290 nan 0.000 0.544 634 Q N 1.345 121.054 119.800 -0.151 0.000 2.198 634 Q HA 0.215 4.555 4.340 -0.000 0.000 0.209 634 Q C 0.012 175.897 176.000 -0.192 0.000 0.848 634 Q CA 0.667 56.362 55.803 -0.181 0.000 0.974 634 Q CB 0.843 29.492 28.738 -0.149 0.000 1.115 634 Q HN 0.569 nan 8.270 nan 0.000 0.494 635 T N 0.811 115.263 114.554 -0.171 0.000 2.797 635 T HA 0.538 4.888 4.350 -0.000 0.000 0.279 635 T C 0.082 174.685 174.700 -0.161 0.000 0.991 635 T CA -0.390 61.625 62.100 -0.142 0.000 0.979 635 T CB 1.578 70.394 68.868 -0.087 0.000 0.943 635 T HN 0.020 nan 8.240 nan 0.000 0.444 636 I N 2.403 122.902 120.570 -0.119 0.000 2.336 636 I HA 0.327 4.497 4.170 -0.000 0.000 0.292 636 I C 0.476 176.625 176.117 0.053 0.000 0.991 636 I CA -0.662 60.600 61.300 -0.063 0.000 1.227 636 I CB 1.424 39.417 38.000 -0.012 0.000 1.366 636 I HN 0.625 nan 8.210 nan 0.000 0.466 637 E N 6.509 126.766 120.200 0.095 0.000 2.156 637 E HA 0.493 4.843 4.350 -0.000 0.000 0.279 637 E C -1.545 175.161 176.600 0.177 0.000 0.965 637 E CA -0.588 55.880 56.400 0.112 0.000 0.789 637 E CB 1.609 31.355 29.700 0.076 0.000 1.098 637 E HN 0.363 nan 8.360 nan 0.000 0.397 638 V N 3.640 123.633 119.914 0.132 0.000 2.555 638 V HA 0.418 4.538 4.120 -0.000 0.000 0.302 638 V C -0.158 175.954 176.094 0.031 0.000 1.038 638 V CA -0.703 61.641 62.300 0.072 0.000 0.887 638 V CB 1.911 33.808 31.823 0.123 0.000 0.991 638 V HN 0.726 nan 8.190 nan 0.000 0.434 639 T N 2.549 117.079 114.554 -0.040 0.000 2.861 639 T HA 0.386 4.736 4.350 -0.000 0.000 0.287 639 T C -0.297 174.397 174.700 -0.010 0.000 1.003 639 T CA -0.368 61.723 62.100 -0.015 0.000 0.977 639 T CB 1.689 70.529 68.868 -0.046 0.000 0.996 639 T HN 0.681 nan 8.240 nan 0.000 0.448 640 S N 1.553 117.254 115.700 0.002 0.000 2.457 640 S HA 0.241 4.711 4.470 -0.000 0.000 0.289 640 S C 0.642 175.134 174.600 -0.182 0.000 1.163 640 S CA -0.586 57.559 58.200 -0.091 0.000 1.078 640 S CB 0.491 63.710 63.200 0.031 0.000 0.987 640 S HN 0.697 nan 8.310 nan 0.000 0.482 641 E N 3.428 123.422 120.200 -0.344 0.000 2.451 641 E HA 0.094 4.444 4.350 -0.000 0.000 0.194 641 E C -0.859 175.593 176.600 -0.247 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 -0.287 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 -0.182 0.000 2.309 642 Y HA 0.102 4.652 4.550 -0.000 0.000 0.327 642 Y C 1.401 177.138 175.900 -0.272 0.000 1.172 642 Y CA -0.306 57.658 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 1.436 122.496 121.223 -0.272 0.000 2.408 643 L HA 0.062 4.402 4.340 -0.000 0.000 0.215 643 L C 0.667 177.078 176.870 -0.765 0.000 1.081 643 L CA 0.744 55.170 54.840 -0.689 0.000 0.840 643 L CB 0.050 41.291 42.059 -1.365 0.000 1.002 643 L HN 0.672 nan 8.230 nan 0.000 0.468 644 F N -0.397 119.560 119.950 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 57.174 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 -0.107 nan 8.300 nan 0.000 0.607 645 R N -0.072 120.455 120.500 0.044 0.000 2.607 645 R HA 0.509 4.848 4.340 -0.000 0.000 0.261 645 R C -1.117 175.184 176.300 0.003 0.000 1.051 645 R CA -0.664 55.410 56.100 -0.043 0.000 1.110 645 R CB 0.660 30.833 30.300 -0.211 0.000 1.158 645 R HN 0.055 nan 8.270 nan 0.000 0.543 646 H N -0.412 118.630 119.070 -0.048 0.000 2.502 646 H HA 0.200 4.756 4.556 -0.000 0.000 0.338 646 H C -0.309 175.038 175.328 0.033 0.000 1.155 646 H CA -0.476 55.583 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 2.301 117.810 115.700 -0.319 0.000 3.988 647 S HA -0.069 4.401 4.470 -0.000 0.000 0.180 647 S C 0.175 174.858 174.600 0.139 0.000 1.242 647 S CA 0.013 58.227 58.200 0.023 0.000 0.947 647 S CB -0.983 62.230 63.200 0.023 0.000 1.519 647 S HN 0.722 nan 8.310 nan 0.000 0.439 648 D N 0.304 120.807 120.400 0.171 0.000 2.319 648 D HA 0.032 4.672 4.640 -0.000 0.000 0.230 648 D C 0.422 176.783 176.300 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 0.466 nan 8.370 nan 0.000 0.517 649 N N 0.012 118.770 118.700 0.097 0.000 2.622 649 N HA 0.120 4.860 4.740 -0.000 0.000 0.293 649 N C -1.546 174.018 175.510 0.091 0.000 1.788 649 N CA -0.233 52.864 53.050 0.078 0.000 0.860 649 N CB 0.299 38.822 38.487 0.059 0.000 1.388 649 N HN -0.053 nan 8.380 nan 0.000 0.496 650 E N 0.107 120.355 120.200 0.080 0.000 2.246 650 E HA 0.435 4.785 4.350 -0.000 0.000 0.266 650 E C -1.523 175.095 176.600 0.030 0.000 0.880 650 E CA -0.604 55.824 56.400 0.046 0.000 0.762 650 E CB 1.921 31.621 29.700 0.000 0.000 1.180 650 E HN 0.064 nan 8.360 nan 0.000 0.416 651 L N 3.537 124.771 121.223 0.017 0.000 2.341 651 L HA 0.545 4.884 4.340 -0.000 0.000 0.278 651 L C -1.470 175.425 176.870 0.043 0.000 1.005 651 L CA -0.924 53.944 54.840 0.046 0.000 0.818 651 L CB 1.521 43.608 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 -0.704 176.374 176.870 0.345 0.000 1.024 652 L CA 0.039 54.993 54.840 0.191 0.000 0.826 652 L CB 0.447 42.626 42.059 0.199 0.000 1.211 652 L HN 0.584 nan 8.230 nan 0.000 0.422 653 H N 5.809 124.927 119.070 0.080 0.000 2.467 653 H HA 0.383 4.939 4.556 -0.000 0.000 0.326 653 H C -1.120 174.268 175.328 0.100 0.000 1.094 653 H CA -0.736 55.316 56.048 0.006 0.000 1.253 653 H CB 0.945 30.682 29.762 -0.042 0.000 1.439 653 H HN 0.705 nan 8.280 nan 0.000 0.479 654 W N 3.609 124.980 121.300 0.118 0.000 2.929 654 W HA 0.589 5.249 4.660 -0.000 0.000 0.345 654 W C -1.481 175.073 176.519 0.058 0.000 1.151 654 W CA -1.432 55.967 57.345 0.091 0.000 1.111 654 W CB 1.622 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 1.196 121.167 119.600 0.618 0.000 2.569 655 M HA 0.539 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 34.340 32.600 0.006 0.000 1.759 655 M HN 0.126 nan 8.290 nan 0.000 0.515 656 V N 2.348 122.492 119.914 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 4.103 127.043 122.820 0.201 0.000 2.572 657 A HA 0.864 5.183 4.320 -0.000 0.000 0.295 657 A C -1.735 175.975 177.584 0.210 0.000 1.072 657 A CA -0.584 51.543 52.037 0.150 0.000 0.691 657 A CB 1.780 20.821 19.000 0.069 0.000 1.291 657 A HN 0.774 nan 8.150 nan 0.000 0.404 658 L N 1.450 122.763 121.223 0.151 0.000 2.280 658 L HA 0.558 4.898 4.340 -0.000 0.000 0.287 658 L C -0.393 176.577 176.870 0.166 0.000 1.023 658 L CA 0.246 55.188 54.840 0.171 0.000 0.819 658 L CB 0.334 42.458 42.059 0.108 0.000 1.212 658 L HN 0.775 nan 8.230 nan 0.000 0.420 659 D N 4.740 125.306 120.400 0.275 0.000 2.733 659 D HA -0.211 4.429 4.640 -0.000 0.000 0.232 659 D C 1.185 177.512 176.300 0.046 0.000 1.161 659 D CA 1.588 55.732 54.000 0.240 0.000 0.653 659 D CB -1.007 39.904 40.800 0.185 0.000 1.052 659 D HN 1.172 nan 8.370 nan 0.000 0.424 660 G N -1.285 107.509 108.800 -0.010 0.000 2.213 660 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.236 660 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.236 660 G C 0.161 174.989 174.900 -0.120 0.000 0.991 660 G CA 0.282 45.273 45.100 -0.181 0.000 0.629 660 G HN 0.434 nan 8.290 nan 0.000 0.517 661 K N 2.206 122.585 120.400 -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 54.220 56.287 -0.027 0.000 0.892 661 K CB 1.821 34.317 32.500 -0.007 0.000 1.102 661 K HN 0.096 nan 8.250 nan 0.000 0.469 662 P HA 0.037 nan 4.420 nan 0.000 0.271 662 P C -0.229 177.079 177.300 0.013 0.000 1.220 662 P CA 0.037 63.132 63.100 -0.008 0.000 0.768 662 P CB 0.686 32.356 31.700 -0.049 0.000 0.848 663 L N 1.306 122.559 121.223 0.050 0.000 2.717 663 L HA 0.538 4.877 4.340 -0.000 0.000 0.239 663 L C 0.801 177.715 176.870 0.074 0.000 1.086 663 L CA 0.112 54.987 54.840 0.058 0.000 0.897 663 L CB 0.324 42.431 42.059 0.081 0.000 1.214 663 L HN 0.363 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 1.412 20.622 19.000 0.349 0.000 1.278 664 A HN -0.008 nan 8.150 nan 0.000 0.408 665 S N -0.360 115.058 115.700 -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 64.873 63.200 -0.589 0.000 1.121 665 S HN 2.114 nan 8.310 nan 0.000 0.479 666 G N -0.196 107.248 108.800 -2.260 0.000 2.677 666 G HA2 0.624 4.584 3.960 -0.000 0.000 0.291 666 G HA3 0.624 4.584 3.960 -0.000 0.000 0.291 666 G C -2.159 172.205 174.900 -0.893 0.000 1.435 666 G CA -0.598 43.590 45.100 -1.520 0.000 0.826 666 G HN 0.621 nan 8.290 nan 0.000 0.491 667 E N -0.539 119.489 120.200 -0.287 0.000 2.246 667 E HA 0.610 4.960 4.350 -0.000 0.000 0.266 667 E C -1.357 175.312 176.600 0.116 0.000 0.880 667 E CA -0.533 55.805 56.400 -0.103 0.000 0.762 667 E CB 2.592 32.191 29.700 -0.169 0.000 1.180 667 E HN 0.326 nan 8.360 nan 0.000 0.416 668 V N 5.730 125.767 119.914 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 2.058 34.007 31.823 0.210 0.000 1.008 668 V HN 0.623 nan 8.190 nan 0.000 0.425 669 P HA 0.255 nan 4.420 nan 0.000 0.276 669 P C -0.674 176.682 177.300 0.094 0.000 1.235 669 P CA -0.035 63.126 63.100 0.101 0.000 0.772 669 P CB 0.856 32.611 31.700 0.092 0.000 0.871 670 L N 3.113 124.378 121.223 0.070 0.000 2.350 670 L HA 0.315 4.655 4.340 -0.000 0.000 0.275 670 L C 0.509 177.428 176.870 0.080 0.000 1.099 670 L CA 0.231 55.100 54.840 0.050 0.000 0.808 670 L CB 0.574 42.611 42.059 -0.037 0.000 1.149 670 L HN 0.326 nan 8.230 nan 0.000 0.442 671 D N 2.252 122.702 120.400 0.084 0.000 2.429 671 D HA 0.386 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 0.986 41.914 40.800 0.214 0.000 1.267 671 D HN 0.101 nan 8.370 nan 0.000 0.521 672 V N 0.521 120.266 119.914 -0.280 0.000 2.638 672 V HA 0.898 5.018 4.120 -0.000 0.000 0.306 672 V C 0.518 176.373 176.094 -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 33.268 31.823 0.035 0.000 0.999 672 V HN 0.436 nan 8.190 nan 0.000 0.424 673 A N 5.603 128.397 122.820 -0.043 0.000 2.371 673 A HA 0.770 5.090 4.320 -0.000 0.000 0.257 673 A C -2.294 175.319 177.584 0.049 0.000 1.089 673 A CA -1.536 50.564 52.037 0.105 0.000 0.794 673 A CB -0.163 18.942 19.000 0.174 0.000 1.029 673 A HN 0.740 nan 8.150 nan 0.000 0.488 674 P HA -0.044 nan 4.420 nan 0.000 0.261 674 P C -0.395 176.904 177.300 -0.001 0.000 1.165 674 P CA 0.721 63.837 63.100 0.028 0.000 0.759 674 P CB 0.140 31.838 31.700 -0.004 0.000 0.772 675 Q N -1.238 118.545 119.800 -0.028 0.000 2.452 675 Q HA -0.187 4.153 4.340 -0.000 0.000 0.248 675 Q C 0.697 176.692 176.000 -0.008 0.000 0.874 675 Q CA 1.378 57.158 55.803 -0.038 0.000 1.208 675 Q CB -2.447 26.261 28.738 -0.051 0.000 1.569 675 Q HN 0.765 nan 8.270 nan 0.000 0.579 676 G N 0.290 109.098 108.800 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 -0.623 174.298 174.900 0.036 0.000 1.240 676 G CA -0.673 44.445 45.100 0.031 0.000 1.002 676 G HN -0.021 nan 8.290 nan 0.000 0.493 677 K N -0.462 119.963 120.400 0.042 0.000 2.259 677 K HA 0.465 4.785 4.320 -0.000 0.000 0.249 677 K C -0.835 175.801 176.600 0.060 0.000 0.942 677 K CA -0.547 55.768 56.287 0.047 0.000 0.816 677 K CB 2.381 34.903 32.500 0.037 0.000 1.155 677 K HN 0.530 nan 8.250 nan 0.000 0.428 678 Q N 3.334 123.176 119.800 0.069 0.000 2.323 678 Q HA 0.377 4.717 4.340 -0.000 0.000 0.271 678 Q C -1.556 174.488 176.000 0.073 0.000 1.048 678 Q CA -0.675 55.172 55.803 0.074 0.000 0.792 678 Q CB 1.373 30.161 28.738 0.083 0.000 1.280 678 Q HN 0.532 nan 8.270 nan 0.000 0.441 679 L N 5.095 126.353 121.223 0.058 0.000 2.289 679 L HA 0.538 4.878 4.340 -0.000 0.000 0.285 679 L C -0.449 176.445 176.870 0.040 0.000 1.049 679 L CA -0.679 54.187 54.840 0.044 0.000 0.804 679 L CB 1.199 43.274 42.059 0.026 0.000 1.195 679 L HN 0.625 nan 8.230 nan 0.000 0.428 680 I N 3.067 123.653 120.570 0.027 0.000 2.410 680 I HA 0.238 4.408 4.170 -0.000 0.000 0.286 680 I C -0.290 175.800 176.117 -0.045 0.000 1.009 680 I CA -0.738 60.569 61.300 0.012 0.000 1.111 680 I CB 2.029 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 6.599 126.775 120.200 -0.040 0.000 2.223 681 E HA 0.389 4.739 4.350 -0.000 0.000 0.282 681 E C -0.642 175.889 176.600 -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 31.043 29.700 -0.038 0.000 1.055 681 E HN 0.470 nan 8.360 nan 0.000 0.409 682 L N 6.160 127.277 121.223 -0.178 0.000 2.312 682 L HA 0.328 4.667 4.340 -0.000 0.000 0.281 682 L C -1.865 174.896 176.870 -0.182 0.000 1.070 682 L CA -1.902 52.776 54.840 -0.270 0.000 0.805 682 L CB 1.220 43.041 42.059 -0.397 0.000 1.174 682 L HN 0.232 nan 8.230 nan 0.000 0.434 683 P HA -0.011 nan 4.420 nan 0.000 0.270 683 P C -0.405 176.840 177.300 -0.091 0.000 1.223 683 P CA -0.321 62.738 63.100 -0.069 0.000 0.785 683 P CB 0.504 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 -0.200 176.377 176.600 -0.038 0.000 0.966 684 E CA 0.288 56.661 56.400 -0.045 0.000 0.937 684 E CB 0.172 29.858 29.700 -0.023 0.000 0.923 684 E HN 0.329 nan 8.360 nan 0.000 0.468 685 L N 6.075 127.264 121.223 -0.057 0.000 2.357 685 L HA 0.334 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 0.629 42.645 42.059 -0.073 0.000 1.174 685 L HN 0.357 nan 8.230 nan 0.000 0.443 686 P HA 0.114 nan 4.420 nan 0.000 0.271 686 P C -1.086 176.224 177.300 0.017 0.000 1.216 686 P CA -0.314 62.802 63.100 0.027 0.000 0.776 686 P CB 0.652 32.382 31.700 0.050 0.000 0.881 687 Q N 2.326 122.134 119.800 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 28.838 28.738 -0.001 0.000 1.280 687 Q HN 0.387 nan 8.270 nan 0.000 0.441 688 P HA -0.065 nan 4.420 nan 0.000 0.267 688 P C 0.049 177.360 177.300 0.019 0.000 1.195 688 P CA 0.148 63.262 63.100 0.024 0.000 0.773 688 P CB 1.269 32.989 31.700 0.034 0.000 0.837 689 E N 0.198 120.410 120.200 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 0.493 56.904 56.400 0.018 0.000 0.826 689 E CB -0.590 29.120 29.700 0.016 0.000 0.788 689 E HN 0.530 nan 8.360 nan 0.000 0.461 690 S N 1.529 117.245 115.700 0.026 0.000 2.542 690 S HA 0.128 4.598 4.470 -0.000 0.000 0.287 690 S C 0.426 175.048 174.600 0.036 0.000 1.315 690 S CA 0.179 58.398 58.200 0.032 0.000 1.037 690 S CB 0.440 63.661 63.200 0.035 0.000 0.822 690 S HN 0.310 nan 8.310 nan 0.000 0.513 691 A N 1.395 124.239 122.820 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 52.273 52.037 0.045 0.000 0.807 691 A CB 0.004 19.032 19.000 0.047 0.000 1.047 691 A HN 1.863 nan 8.150 nan 0.000 0.487 692 G N -0.243 108.595 108.800 0.064 0.000 2.369 692 G HA2 0.321 4.280 3.960 -0.000 0.000 0.295 692 G HA3 0.321 4.280 3.960 -0.000 0.000 0.295 692 G C -1.281 173.666 174.900 0.077 0.000 1.298 692 G CA -0.890 44.266 45.100 0.093 0.000 0.940 692 G HN 0.849 nan 8.290 nan 0.000 0.536 693 Q N -0.610 119.269 119.800 0.131 0.000 2.290 693 Q HA 0.596 4.936 4.340 -0.000 0.000 0.259 693 Q C -0.670 175.416 176.000 0.143 0.000 0.941 693 Q CA -0.726 55.115 55.803 0.063 0.000 0.912 693 Q CB 2.091 30.904 28.738 0.125 0.000 1.244 693 Q HN 0.497 nan 8.270 nan 0.000 0.441 694 L N 4.024 125.221 121.223 -0.045 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 54.918 54.840 0.044 0.000 0.807 694 L CB 0.414 42.472 42.059 -0.002 0.000 1.192 694 L HN 0.572 nan 8.230 nan 0.000 0.425 695 W N 5.414 126.779 121.300 0.109 0.000 2.915 695 W HA 0.563 5.222 4.660 -0.000 0.000 0.337 695 W C -1.062 175.562 176.519 0.175 0.000 1.102 695 W CA -0.715 56.717 57.345 0.146 0.000 1.224 695 W CB 1.682 31.255 29.460 0.187 0.000 1.416 695 W HN 0.279 nan 8.180 nan 0.000 0.503 696 L N 2.915 124.438 121.223 0.500 0.000 2.295 696 L HA 0.811 5.151 4.340 -0.000 0.000 0.285 696 L C -0.377 176.798 176.870 0.508 0.000 1.035 696 L CA 0.096 55.199 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 -0.860 174.021 174.700 0.303 0.000 1.000 697 T CA -0.454 61.837 62.100 0.319 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 1.546 121.594 119.914 0.222 0.000 2.715 698 V HA 0.893 5.013 4.120 -0.000 0.000 0.310 698 V C -0.626 175.523 176.094 0.091 0.000 1.054 698 V CA -1.075 61.316 62.300 0.150 0.000 0.928 698 V CB 1.927 33.754 31.823 0.007 0.000 1.007 698 V HN 0.809 nan 8.190 nan 0.000 0.437 699 R N 1.897 122.472 120.500 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 1.733 33.620 31.823 0.107 0.000 0.988 700 V HN 0.441 nan 8.190 nan 0.000 0.431 701 V N 4.224 124.093 119.914 -0.075 0.000 2.769 701 V HA 0.486 4.606 4.120 -0.000 0.000 0.312 701 V C -0.428 175.665 176.094 -0.002 0.000 1.061 701 V CA -0.845 61.405 62.300 -0.084 0.000 0.931 701 V CB 1.996 33.668 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 -1.838 174.180 176.000 0.029 0.000 1.051 702 Q CA -1.810 54.036 55.803 0.071 0.000 0.874 702 Q CB 1.815 30.627 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 1.402 64.511 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 -0.770 117.926 118.700 -0.007 0.000 2.473 704 N HA 0.435 5.175 4.740 -0.000 0.000 0.291 704 N C -0.223 175.244 175.510 -0.072 0.000 1.083 704 N CA -0.631 52.402 53.050 -0.028 0.000 0.951 704 N CB 0.802 39.277 38.487 -0.021 0.000 1.164 704 N HN 0.021 nan 8.380 nan 0.000 0.480 705 A N 0.740 123.508 122.820 -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 51.841 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 -3.867 110.474 114.554 -0.355 0.000 2.831 706 T HA 0.613 4.963 4.350 -0.000 0.000 0.287 706 T C 0.876 175.384 174.700 -0.320 0.000 1.070 706 T CA 0.069 61.935 62.100 -0.391 0.000 1.010 706 T CB 1.101 69.487 68.868 -0.803 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 1.559 179.255 177.584 0.186 0.000 1.154 707 A CA 1.107 53.198 52.037 0.090 0.000 0.679 707 A CB -0.867 18.281 19.000 0.246 0.000 0.795 707 A HN 0.914 nan 8.150 nan 0.000 0.458 708 W N -0.954 120.393 121.300 0.079 0.000 2.714 708 W HA 0.431 5.091 4.660 -0.000 0.000 0.353 708 W C -0.173 176.307 176.519 -0.065 0.000 0.999 708 W CA 0.440 57.793 57.345 0.013 0.000 1.629 708 W CB -1.130 28.325 29.460 -0.008 0.000 1.106 708 W HN 0.418 nan 8.180 nan 0.000 0.545 709 S N 0.235 115.449 115.700 -0.810 0.000 2.541 709 S HA 0.415 4.885 4.470 -0.000 0.000 0.271 709 S C -0.498 173.836 174.600 -0.444 0.000 1.133 709 S CA -0.630 57.127 58.200 -0.739 0.000 0.876 709 S CB 2.769 65.124 63.200 -1.409 0.000 1.105 709 S HN 0.039 nan 8.310 nan 0.000 0.470 710 E N 0.882 120.936 120.200 -0.244 0.000 2.369 710 E HA 0.516 4.866 4.350 -0.000 0.000 0.255 710 E C 0.485 177.034 176.600 -0.085 0.000 1.172 710 E CA -0.369 55.963 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 0.882 nan 8.360 nan 0.000 0.454 711 A N -0.343 122.449 122.820 -0.046 0.000 2.351 711 A HA 0.468 4.788 4.320 -0.000 0.000 0.257 711 A C 0.990 178.582 177.584 0.014 0.000 1.087 711 A CA 0.454 52.477 52.037 -0.024 0.000 0.798 711 A CB 0.021 19.010 19.000 -0.020 0.000 1.033 711 A HN 0.719 nan 8.150 nan 0.000 0.488 712 G N 0.008 108.821 108.800 0.022 0.000 2.147 712 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.244 712 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.244 712 G C 0.103 175.037 174.900 0.058 0.000 1.005 712 G CA 0.738 45.852 45.100 0.022 0.000 0.713 712 G HN 1.626 nan 8.290 nan 0.000 0.515 713 H N 0.171 119.231 119.070 -0.017 0.000 2.732 713 H HA 0.514 5.070 4.556 -0.000 0.000 0.351 713 H C 0.458 175.828 175.328 0.070 0.000 1.090 713 H CA -0.631 55.432 56.048 0.025 0.000 1.431 713 H CB 0.341 30.108 29.762 0.008 0.000 1.447 713 H HN 0.043 nan 8.280 nan 0.000 0.582 714 I N 4.736 125.028 120.570 -0.465 0.000 2.325 714 I HA 0.019 4.189 4.170 -0.000 0.000 0.291 714 I C 1.161 177.103 176.117 -0.292 0.000 1.019 714 I CA 0.065 61.211 61.300 -0.258 0.000 1.302 714 I CB 0.629 38.554 38.000 -0.125 0.000 1.401 714 I HN 0.829 nan 8.210 nan 0.000 0.485 715 S N 4.048 119.791 115.700 0.072 0.000 2.505 715 S HA 0.631 5.101 4.470 -0.000 0.000 0.216 715 S C 0.559 175.399 174.600 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 64.113 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 -1.758 176.162 177.584 0.561 0.000 1.062 716 A CA -0.904 51.393 52.037 0.433 0.000 0.682 716 A CB 0.396 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 0.108 121.559 121.300 0.252 0.000 3.025 717 W HA 0.821 5.481 4.660 -0.000 0.000 0.343 717 W C -1.133 175.409 176.519 0.038 0.000 1.246 717 W CA -0.658 56.725 57.345 0.063 0.000 1.178 717 W CB 1.224 30.671 29.460 -0.022 0.000 1.463 717 W HN 1.088 nan 8.180 nan 0.000 0.578 718 Q N 1.662 121.483 119.800 0.035 0.000 2.545 718 Q HA 0.341 4.681 4.340 -0.000 0.000 0.273 718 Q C -1.635 174.145 176.000 -0.367 0.000 0.975 718 Q CA -0.595 55.060 55.803 -0.245 0.000 0.876 718 Q CB 2.178 30.635 28.738 -0.468 0.000 1.472 718 Q HN 0.678 nan 8.270 nan 0.000 0.389 719 Q N 2.942 122.480 119.800 -0.436 0.000 2.456 719 Q HA 0.663 5.003 4.340 -0.000 0.000 0.283 719 Q C -1.373 174.516 176.000 -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 1.503 122.999 121.300 0.327 0.000 3.033 720 W HA 0.468 5.128 4.660 -0.000 0.000 0.336 720 W C -0.521 176.052 176.519 0.090 0.000 1.173 720 W CA -0.829 56.644 57.345 0.213 0.000 1.185 720 W CB 2.170 31.683 29.460 0.090 0.000 1.425 720 W HN 0.661 nan 8.180 nan 0.000 0.536 721 R N 2.365 122.814 120.500 -0.084 0.000 2.198 721 R HA 0.305 4.645 4.340 -0.000 0.000 0.339 721 R C 0.739 176.831 176.300 -0.346 0.000 1.020 721 R CA -0.163 55.483 56.100 -0.758 0.000 0.864 721 R CB 0.593 30.068 30.300 -1.375 0.000 1.105 721 R HN 0.593 nan 8.270 nan 0.000 0.463 722 L N 2.724 123.793 121.223 -0.257 0.000 2.049 722 L HA 0.195 4.535 4.340 -0.000 0.000 0.203 722 L C 0.940 177.713 176.870 -0.162 0.000 1.074 722 L CA 1.033 55.786 54.840 -0.145 0.000 0.749 722 L CB -0.201 41.815 42.059 -0.073 0.000 0.907 722 L HN 0.668 nan 8.230 nan 0.000 0.439 723 A N -0.825 121.882 122.820 -0.188 0.000 2.568 723 A HA 0.652 4.972 4.320 -0.000 0.000 0.291 723 A C -1.442 176.050 177.584 -0.153 0.000 1.159 723 A CA -0.423 51.529 52.037 -0.142 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 -1.814 174.769 176.600 -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 -0.074 0.000 1.216 724 E HN 0.539 nan 8.360 nan 0.000 0.419 725 N N 4.421 123.118 118.700 -0.006 0.000 2.564 725 N HA 0.292 5.032 4.740 -0.000 0.000 0.248 725 N C -0.651 174.870 175.510 0.018 0.000 0.986 725 N CA -0.333 52.721 53.050 0.007 0.000 0.921 725 N CB 1.073 39.570 38.487 0.015 0.000 1.136 725 N HN 0.487 nan 8.380 nan 0.000 0.509 726 L N 0.814 122.046 121.223 0.015 0.000 2.490 726 L HA 0.068 4.408 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 0.289 55.144 54.840 0.025 0.000 0.869 726 L CB 0.509 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 2.052 117.775 115.700 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 -0.913 57.312 58.200 0.041 0.000 1.054 727 S CB 0.723 63.952 63.200 0.050 0.000 0.956 727 S HN 0.437 nan 8.310 nan 0.000 0.490 728 V N 2.790 122.723 119.914 0.031 0.000 3.177 728 V HA 0.321 4.441 4.120 -0.000 0.000 0.342 728 V C 0.776 176.888 176.094 0.029 0.000 1.379 728 V CA -0.080 62.237 62.300 0.028 0.000 1.191 728 V CB -1.148 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 -0.185 114.389 114.554 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 -0.592 61.526 62.100 0.030 0.000 1.015 729 T CB 1.984 70.869 68.868 0.030 0.000 1.044 729 T HN 0.220 nan 8.240 nan 0.000 0.520 730 L N 1.741 122.981 121.223 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 52.742 54.840 0.029 0.000 0.815 730 L CB 0.646 42.720 42.059 0.025 0.000 1.268 730 L HN 0.578 nan 8.230 nan 0.000 0.428 731 P HA 0.271 nan 4.420 nan 0.000 0.267 731 P C -0.475 176.837 177.300 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 3.306 126.136 122.820 0.017 0.000 2.406 732 A HA 0.496 4.816 4.320 -0.000 0.000 0.243 732 A C 0.711 178.302 177.584 0.012 0.000 1.082 732 A CA -0.050 51.998 52.037 0.019 0.000 0.786 732 A CB -0.258 18.754 19.000 0.020 0.000 1.029 732 A HN 0.743 nan 8.150 nan 0.000 0.495 733 A N 1.080 123.919 122.820 0.032 0.000 2.466 733 A HA 0.499 4.819 4.320 -0.000 0.000 0.238 733 A C 0.761 178.338 177.584 -0.012 0.000 1.074 733 A CA 0.456 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 0.154 115.846 115.700 -0.013 0.000 2.593 734 S HA 0.515 4.984 4.470 -0.000 0.000 0.297 734 S C 0.062 174.687 174.600 0.040 0.000 1.112 734 S CA -0.720 57.416 58.200 -0.107 0.000 1.043 734 S CB 0.903 64.071 63.200 -0.053 0.000 1.054 734 S HN 0.649 nan 8.310 nan 0.000 0.516 735 H N 0.241 119.321 119.070 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 0.444 56.499 56.048 0.012 0.000 1.146 735 H CB -0.297 29.471 29.762 0.010 0.000 1.382 735 H HN 0.792 nan 8.280 nan 0.000 0.577 736 A N 0.584 123.465 122.820 0.101 0.000 2.557 736 A HA 0.658 4.978 4.320 -0.000 0.000 0.292 736 A C -1.133 176.479 177.584 0.048 0.000 1.139 736 A CA -0.715 51.363 52.037 0.069 0.000 0.665 736 A CB 1.339 20.379 19.000 0.067 0.000 1.285 736 A HN 0.205 nan 8.150 nan 0.000 0.433 737 I N -1.631 118.967 120.570 0.046 0.000 2.802 737 I HA 0.744 4.913 4.170 -0.000 0.000 0.298 737 I C -2.908 173.249 176.117 0.067 0.000 1.176 737 I CA -2.547 58.778 61.300 0.042 0.000 1.025 737 I CB 2.451 40.467 38.000 0.026 0.000 1.243 737 I HN 0.402 nan 8.210 nan 0.000 0.424 738 P HA -0.028 nan 4.420 nan 0.000 0.267 738 P C -1.306 176.087 177.300 0.154 0.000 1.195 738 P CA 0.479 63.638 63.100 0.098 0.000 0.773 738 P CB 0.148 31.859 31.700 0.019 0.000 0.837 739 H N 2.039 121.138 119.070 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 54.925 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 4.444 125.627 121.223 -0.067 0.000 2.453 740 L HA 0.329 4.669 4.340 -0.000 0.000 0.261 740 L C -0.634 176.062 176.870 -0.290 0.000 1.179 740 L CA 0.396 55.140 54.840 -0.160 0.000 0.813 740 L CB 1.394 43.399 42.059 -0.090 0.000 1.110 740 L HN 0.746 nan 8.230 nan 0.000 0.466 741 T N 2.547 117.020 114.554 -0.136 0.000 3.548 741 T HA 0.266 4.616 4.350 -0.000 0.000 0.329 741 T C -0.397 174.358 174.700 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 69.649 68.868 -0.141 0.000 1.065 741 T HN 0.724 nan 8.240 nan 0.000 0.459 742 T N 2.480 117.115 114.554 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 0.122 0.000 0.993 742 T CA -0.520 61.727 62.100 0.245 0.000 0.994 742 T CB 1.297 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 -1.065 114.679 115.700 0.074 0.000 2.703 743 S HA 0.300 4.770 4.470 -0.000 0.000 0.273 743 S C 0.423 174.997 174.600 -0.044 0.000 1.178 743 S CA -0.637 57.569 58.200 0.010 0.000 0.838 743 S CB 1.182 64.384 63.200 0.004 0.000 1.178 743 S HN 0.719 nan 8.310 nan 0.000 0.494 744 E N -0.199 119.975 120.200 -0.045 0.000 2.112 744 E HA 0.017 4.367 4.350 -0.000 0.000 0.190 744 E C 1.426 177.958 176.600 -0.112 0.000 0.979 744 E CA 0.943 57.303 56.400 -0.066 0.000 0.814 744 E CB -0.068 29.609 29.700 -0.038 0.000 0.762 744 E HN 0.558 nan 8.360 nan 0.000 0.460 745 M N 0.912 120.457 119.600 -0.092 0.000 2.476 745 M HA 0.101 4.580 4.480 -0.000 0.000 0.262 745 M C -0.127 176.086 176.300 -0.144 0.000 1.111 745 M CA 0.808 56.053 55.300 -0.092 0.000 1.127 745 M CB -0.590 31.989 32.600 -0.036 0.000 1.376 745 M HN 0.047 nan 8.290 nan 0.000 0.465 746 D N -1.932 118.359 120.400 -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 0.629 41.423 40.800 -0.010 0.000 1.425 746 D HN -0.031 nan 8.370 nan 0.000 0.501 750 E N 4.582 124.916 120.200 0.224 0.000 2.288 750 E HA 0.877 5.227 4.350 -0.000 0.000 0.268 750 E C -1.775 174.987 176.600 0.270 0.000 0.885 750 E CA -0.833 55.702 56.400 0.225 0.000 0.767 750 E CB 2.790 32.545 29.700 0.092 0.000 1.220 750 E HN 0.560 nan 8.360 nan 0.000 0.427 751 L N 4.142 125.516 121.223 0.251 0.000 2.811 751 L HA 0.461 4.801 4.340 -0.000 0.000 0.251 751 L C -0.107 176.835 176.870 0.121 0.000 0.971 751 L CA 0.769 55.738 54.840 0.214 0.000 0.990 751 L CB 0.960 43.206 42.059 0.311 0.000 1.320 751 L HN 0.790 nan 8.230 nan 0.000 0.473 752 G N 3.662 112.505 108.800 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 0.592 175.487 174.900 -0.008 0.000 1.175 752 G CA 0.476 45.593 45.100 0.028 0.000 0.962 752 G HN 1.011 nan 8.290 nan 0.000 0.560 753 N N 0.968 119.649 118.700 -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 -0.195 176.190 176.600 -0.359 0.000 1.032 754 K CA -0.176 55.904 56.287 -0.344 0.000 0.958 754 K CB 1.142 33.369 32.500 -0.454 0.000 0.978 754 K HN 0.040 nan 8.250 nan 0.000 0.472 755 R N 1.859 122.043 120.500 -0.527 0.000 2.626 755 R HA 0.368 4.708 4.340 -0.000 0.000 0.274 755 R C -1.653 174.518 176.300 -0.215 0.000 1.031 755 R CA -0.640 55.344 56.100 -0.193 0.000 0.898 755 R CB 1.312 31.555 30.300 -0.095 0.000 1.222 755 R HN 0.595 nan 8.270 nan 0.000 0.455 756 W N 3.223 124.622 121.300 0.165 0.000 2.883 756 W HA 0.335 4.995 4.660 -0.000 0.000 0.335 756 W C -0.717 175.882 176.519 0.133 0.000 1.083 756 W CA -0.562 56.838 57.345 0.092 0.000 1.233 756 W CB 2.240 31.727 29.460 0.046 0.000 1.412 756 W HN 0.476 nan 8.180 nan 0.000 0.490 757 Q N 2.481 122.421 119.800 0.232 0.000 2.356 757 Q HA 0.522 4.861 4.340 -0.000 0.000 0.270 757 Q C -2.094 173.860 176.000 -0.077 0.000 1.058 757 Q CA -0.507 55.422 55.803 0.210 0.000 0.802 757 Q CB 1.909 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 -0.871 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 3.643 122.437 118.700 0.156 0.000 2.475 759 N HA 0.052 4.792 4.740 -0.000 0.000 0.267 759 N C 0.881 176.389 175.510 -0.002 0.000 1.169 759 N CA 0.076 53.164 53.050 0.064 0.000 0.947 759 N CB 0.749 39.285 38.487 0.080 0.000 1.061 759 N HN 0.713 nan 8.380 nan 0.000 0.466 760 R N 2.372 122.794 120.500 -0.129 0.000 2.276 760 R HA -0.064 4.276 4.340 -0.000 0.000 0.203 760 R C 1.125 177.349 176.300 -0.127 0.000 1.017 760 R CA 1.002 56.970 56.100 -0.220 0.000 1.010 760 R CB 0.267 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 -0.661 119.098 119.800 -0.068 0.000 2.204 761 Q HA -0.008 4.332 4.340 -0.000 0.000 0.198 761 Q C 2.081 178.060 176.000 -0.034 0.000 0.946 761 Q CA 1.521 57.295 55.803 -0.048 0.000 0.859 761 Q CB 0.348 29.076 28.738 -0.016 0.000 0.946 761 Q HN 0.250 nan 8.270 nan 0.000 0.474 762 S N -1.409 114.297 115.700 0.009 0.000 2.458 762 S HA 0.184 4.654 4.470 -0.000 0.000 0.223 762 S C 1.619 176.115 174.600 -0.173 0.000 1.019 762 S CA 0.506 58.733 58.200 0.045 0.000 0.937 762 S CB 0.133 63.485 63.200 0.253 0.000 0.788 762 S HN 0.456 nan 8.310 nan 0.000 0.511 763 G N 0.380 109.100 108.800 -0.133 0.000 2.148 763 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.254 763 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.254 763 G C -0.096 174.666 174.900 -0.230 0.000 0.981 763 G CA 0.373 45.368 45.100 -0.174 0.000 0.670 763 G HN 0.536 nan 8.290 nan 0.000 0.528 764 F N -1.306 118.823 119.950 0.298 0.000 2.541 764 F HA 0.683 5.210 4.527 -0.000 0.000 0.331 764 F C 0.513 176.372 175.800 0.100 0.000 1.057 764 F CA -1.443 56.706 58.000 0.248 0.000 0.975 764 F CB 1.315 40.412 39.000 0.162 0.000 1.246 764 F HN 0.007 nan 8.300 nan 0.000 0.484 765 L N 1.534 122.852 121.223 0.158 0.000 2.485 765 L HA 0.221 4.561 4.340 -0.000 0.000 0.279 765 L C 0.584 177.360 176.870 -0.156 0.000 1.124 765 L CA 0.664 55.213 54.840 -0.485 0.000 0.888 765 L CB 0.119 41.871 42.059 -0.512 0.000 1.217 765 L HN 0.631 nan 8.230 nan 0.000 0.464 766 S N 2.674 118.287 115.700 -0.145 0.000 2.425 766 S HA 0.106 4.576 4.470 -0.000 0.000 0.225 766 S C 0.457 174.961 174.600 -0.159 0.000 1.024 766 S CA 0.428 58.589 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 -0.245 119.408 119.800 -0.245 0.000 2.633 767 Q HA 0.650 4.990 4.340 -0.000 0.000 0.289 767 Q C -1.647 174.043 176.000 -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 0.072 119.222 119.600 -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 -0.582 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 3.042 124.113 121.300 -0.382 0.000 2.864 769 W HA 0.704 5.364 4.660 -0.000 0.000 0.343 769 W C -1.534 174.780 176.519 -0.341 0.000 1.109 769 W CA -0.884 56.289 57.345 -0.287 0.000 1.192 769 W CB 2.060 31.385 29.460 -0.225 0.000 1.426 769 W HN 0.584 nan 8.180 nan 0.000 0.529 770 I N 2.419 122.992 120.570 0.006 0.000 2.448 770 I HA 0.437 4.607 4.170 -0.000 0.000 0.281 770 I C 0.728 176.838 176.117 -0.011 0.000 1.027 770 I CA 0.163 61.418 61.300 -0.075 0.000 1.111 770 I CB 1.130 39.056 38.000 -0.124 0.000 1.236 770 I HN 0.710 nan 8.210 nan 0.000 0.452 771 G N 5.584 114.370 108.800 -0.022 0.000 2.531 771 G HA2 -0.295 3.664 3.960 -0.000 0.000 0.274 771 G HA3 -0.295 3.664 3.960 -0.000 0.000 0.274 771 G C 0.293 175.212 174.900 0.032 0.000 1.159 771 G CA 0.475 45.566 45.100 -0.015 0.000 0.969 771 G HN 0.740 nan 8.290 nan 0.000 0.554 772 D N 0.948 121.380 120.400 0.053 0.000 2.363 772 D HA 0.243 4.883 4.640 -0.000 0.000 0.214 772 D C 0.612 177.045 176.300 0.222 0.000 1.093 772 D CA 0.214 54.278 54.000 0.108 0.000 0.837 772 D CB 0.246 41.067 40.800 0.036 0.000 0.948 772 D HN 0.482 nan 8.370 nan 0.000 0.507 773 K N 1.025 121.525 120.400 0.167 0.000 2.234 773 K HA 0.284 4.604 4.320 -0.000 0.000 0.277 773 K C -0.006 176.564 176.600 -0.050 0.000 1.038 773 K CA -0.469 55.856 56.287 0.064 0.000 0.888 773 K CB 1.712 34.208 32.500 -0.007 0.000 1.091 773 K HN -0.125 nan 8.250 nan 0.000 0.467 774 K N 1.910 122.190 120.400 -0.200 0.000 2.295 774 K HA 0.034 4.354 4.320 -0.000 0.000 0.270 774 K C 0.767 177.151 176.600 -0.360 0.000 1.011 774 K CA -0.185 55.758 56.287 -0.574 0.000 0.953 774 K CB 0.688 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 1.046 120.604 119.800 -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 0.352 121.431 121.223 -0.239 0.000 2.362 776 L HA 0.412 4.752 4.340 -0.000 0.000 0.271 776 L C 0.727 177.470 176.870 -0.211 0.000 1.002 776 L CA -0.463 54.263 54.840 -0.189 0.000 0.818 776 L CB 1.665 43.621 42.059 -0.172 0.000 1.298 776 L HN -0.148 nan 8.230 nan 0.000 0.420 777 L N 0.066 121.157 121.223 -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 0.741 55.456 54.840 -0.209 0.000 0.851 777 L CB 0.274 42.187 42.059 -0.244 0.000 0.994 777 L HN 0.619 nan 8.230 nan 0.000 0.462 778 T N -0.262 114.169 114.554 -0.204 0.000 2.916 778 T HA 0.419 4.769 4.350 -0.000 0.000 0.305 778 T C -2.686 171.959 174.700 -0.091 0.000 1.119 778 T CA -1.277 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 -0.764 176.508 177.300 -0.047 0.000 1.223 779 P CA -0.735 62.345 63.100 -0.033 0.000 0.784 779 P CB 0.415 32.121 31.700 0.011 0.000 0.923 780 L N 3.916 125.148 121.223 0.014 0.000 2.369 780 L HA 0.252 4.591 4.340 -0.000 0.000 0.279 780 L C 0.541 177.358 176.870 -0.089 0.000 1.108 780 L CA 0.457 55.330 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 1.958 122.353 120.500 -0.176 0.000 2.799 781 R HA 0.616 4.956 4.340 -0.000 0.000 0.270 781 R C -1.085 175.093 176.300 -0.203 0.000 1.010 781 R CA -1.107 54.787 56.100 -0.343 0.000 0.916 781 R CB 0.632 30.370 30.300 -0.937 0.000 1.228 781 R HN 0.373 nan 8.270 nan 0.000 0.469 782 D N 0.900 121.210 120.400 -0.151 0.000 2.423 782 D HA 0.045 4.685 4.640 -0.000 0.000 0.238 782 D C -0.637 175.279 176.300 -0.639 0.000 1.142 782 D CA 0.556 54.336 54.000 -0.366 0.000 0.884 782 D CB 0.703 41.294 40.800 -0.348 0.000 1.199 782 D HN 0.351 nan 8.370 nan 0.000 0.438 783 Q N 1.641 120.852 119.800 -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 29.307 28.738 -0.466 0.000 1.300 783 Q HN 0.562 nan 8.270 nan 0.000 0.427 784 F N 0.575 120.196 119.950 -0.548 0.000 2.706 784 F HA 0.177 4.704 4.527 -0.000 0.000 0.313 784 F C 0.881 176.301 175.800 -0.633 0.000 1.096 784 F CA -0.079 57.504 58.000 -0.695 0.000 1.219 784 F CB 1.510 39.895 39.000 -1.025 0.000 1.051 784 F HN 0.489 nan 8.300 nan 0.000 0.568 785 T N -0.797 113.503 114.554 -0.424 0.000 2.883 785 T HA 0.754 5.104 4.350 -0.000 0.000 0.284 785 T C -0.489 173.973 174.700 -0.397 0.000 1.041 785 T CA -0.926 60.837 62.100 -0.562 0.000 1.007 785 T CB 2.586 71.073 68.868 -0.635 0.000 1.220 785 T HN 0.226 nan 8.240 nan 0.000 0.552 786 R N -0.538 119.755 120.500 -0.345 0.000 2.774 786 R HA 0.738 5.078 4.340 -0.000 0.000 0.272 786 R C -1.161 175.184 176.300 0.075 0.000 1.000 786 R CA -1.184 54.844 56.100 -0.121 0.000 0.906 786 R CB 1.490 31.727 30.300 -0.106 0.000 1.227 786 R HN 0.823 nan 8.270 nan 0.000 0.468 787 A N 3.388 126.240 122.820 0.054 0.000 2.444 787 A HA 0.324 4.644 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 -1.554 50.519 52.037 0.059 0.000 0.858 787 A CB -0.470 18.516 19.000 -0.023 0.000 1.117 787 A HN 0.538 nan 8.150 nan 0.000 0.521 788 P HA -0.051 nan 4.420 nan 0.000 0.261 788 P C -0.207 177.195 177.300 0.170 0.000 1.158 788 P CA 0.767 64.017 63.100 0.251 0.000 0.758 788 P CB 0.224 32.097 31.700 0.289 0.000 0.763 789 L N 2.470 123.768 121.223 0.124 0.000 2.454 789 L HA 0.210 4.550 4.340 -0.000 0.000 0.256 789 L C 1.856 178.740 176.870 0.024 0.000 1.136 789 L CA -0.584 54.268 54.840 0.019 0.000 0.804 789 L CB 0.070 42.074 42.059 -0.091 0.000 1.181 789 L HN 0.288 nan 8.230 nan 0.000 0.469 790 D N 0.436 120.791 120.400 -0.075 0.000 2.116 790 D HA -0.170 4.469 4.640 -0.000 0.000 0.193 790 D C 1.631 177.867 176.300 -0.108 0.000 0.998 790 D CA 1.498 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 1.137 119.787 118.700 -0.083 0.000 2.205 791 N HA -0.126 4.614 4.740 -0.000 0.000 0.186 791 N C 1.193 176.725 175.510 0.036 0.000 1.015 791 N CA 0.783 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 0.432 54.511 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 -0.417 120.199 120.570 0.077 0.000 2.729 793 I HA 0.110 4.280 4.170 -0.000 0.000 0.256 793 I C 1.892 178.044 176.117 0.058 0.000 1.115 793 I CA 0.604 61.940 61.300 0.059 0.000 1.446 793 I CB -0.148 37.865 38.000 0.021 0.000 1.176 793 I HN 0.072 nan 8.210 nan 0.000 0.446 794 G N 1.422 110.268 108.800 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 0.690 175.757 174.900 0.278 0.000 1.165 794 G CA 0.934 46.143 45.100 0.181 0.000 0.977 794 G HN 0.655 nan 8.290 nan 0.000 0.546 795 V N -2.211 117.807 119.914 0.173 0.000 3.214 795 V HA 0.704 4.824 4.120 -0.000 0.000 0.330 795 V C 0.952 177.068 176.094 0.037 0.000 1.403 795 V CA 1.027 63.386 62.300 0.099 0.000 1.143 795 V CB 0.331 32.116 31.823 -0.063 0.000 1.098 795 V HN 1.254 nan 8.190 nan 0.000 0.463 796 S N 1.320 117.046 115.700 0.042 0.000 2.533 796 S HA 0.361 4.830 4.470 -0.000 0.000 0.282 796 S C -0.149 174.467 174.600 0.026 0.000 1.304 796 S CA 0.191 58.402 58.200 0.018 0.000 1.063 796 S CB 0.466 63.675 63.200 0.014 0.000 0.881 796 S HN 0.815 nan 8.310 nan 0.000 0.493 797 E N 1.857 122.065 120.200 0.014 0.000 2.343 797 E HA 0.618 4.968 4.350 -0.000 0.000 0.270 797 E C 0.639 177.251 176.600 0.021 0.000 0.895 797 E CA -0.387 56.026 56.400 0.022 0.000 0.767 797 E CB 1.517 31.224 29.700 0.012 0.000 1.248 797 E HN 0.626 nan 8.360 nan 0.000 0.440 798 A N 1.461 124.300 122.820 0.032 0.000 1.903 798 A HA -0.261 4.059 4.320 -0.000 0.000 0.219 798 A C 2.115 179.712 177.584 0.022 0.000 1.191 798 A CA 2.791 54.847 52.037 0.031 0.000 0.638 798 A CB -1.234 17.790 19.000 0.041 0.000 0.823 798 A HN 0.751 nan 8.150 nan 0.000 0.451 799 T N -2.334 112.231 114.554 0.019 0.000 2.701 799 T HA -0.089 4.261 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 1.293 63.399 62.100 0.011 0.000 1.147 799 T CB -0.124 68.749 68.868 0.009 0.000 0.865 799 T HN 0.346 nan 8.240 nan 0.000 0.426 800 R N 0.549 121.045 120.500 -0.005 0.000 2.402 800 R HA 0.504 4.844 4.340 -0.000 0.000 0.290 800 R C -1.119 175.171 176.300 -0.016 0.000 1.321 800 R CA -0.557 55.532 56.100 -0.017 0.000 1.283 800 R CB 0.206 30.488 30.300 -0.031 0.000 1.111 800 R HN 0.414 nan 8.270 nan 0.000 0.578 801 I N 1.854 122.417 120.570 -0.011 0.000 2.634 801 I HA -0.056 4.114 4.170 -0.000 0.000 0.284 801 I C 0.239 176.341 176.117 -0.025 0.000 1.124 801 I CA 0.527 61.820 61.300 -0.011 0.000 1.417 801 I CB 0.806 38.803 38.000 -0.006 0.000 1.396 801 I HN 0.398 nan 8.210 nan 0.000 0.571 802 D N 8.678 129.060 120.400 -0.029 0.000 2.477 802 D HA 0.279 4.919 4.640 -0.000 0.000 0.239 802 D C -1.693 174.566 176.300 -0.069 0.000 1.102 802 D CA -2.370 51.602 54.000 -0.045 0.000 0.901 802 D CB 1.144 41.920 40.800 -0.039 0.000 1.026 802 D HN 0.133 nan 8.370 nan 0.000 0.515 803 P HA -0.170 nan 4.420 nan 0.000 0.219 803 P C 0.429 177.637 177.300 -0.154 0.000 1.144 803 P CA 1.041 64.084 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 -0.550 118.050 118.700 -0.166 0.000 2.373 804 N HA 0.099 4.839 4.740 -0.000 0.000 0.181 804 N C 0.844 176.147 175.510 -0.345 0.000 1.082 804 N CA 0.092 52.988 53.050 -0.257 0.000 0.885 804 N CB -0.067 38.284 38.487 -0.227 0.000 0.977 804 N HN 0.097 nan 8.380 nan 0.000 0.462 805 A N 0.671 123.350 122.820 -0.234 0.000 2.540 805 A HA 0.019 4.339 4.320 -0.000 0.000 0.239 805 A C 0.764 178.142 177.584 -0.342 0.000 1.061 805 A CA -0.338 51.566 52.037 -0.220 0.000 0.758 805 A CB -0.012 18.939 19.000 -0.082 0.000 0.991 805 A HN 0.334 nan 8.150 nan 0.000 0.502 806 W N 1.922 122.959 121.300 -0.439 0.000 2.302 806 W HA -0.224 4.436 4.660 -0.000 0.000 0.320 806 W C 2.271 178.246 176.519 -0.907 0.000 1.241 806 W CA 1.937 58.735 57.345 -0.911 0.000 1.264 806 W CB -0.480 28.291 29.460 -1.150 0.000 1.154 806 W HN 0.564 nan 8.180 nan 0.000 0.483 807 V N 0.778 120.611 119.914 -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 2.284 64.733 62.300 0.248 0.000 1.042 807 V CB -0.475 31.512 31.823 0.273 0.000 0.650 807 V HN 0.093 nan 8.190 nan 0.000 0.450 808 E N 0.164 120.369 120.200 0.008 0.000 2.051 808 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 808 E C 2.352 178.932 176.600 -0.034 0.000 0.991 808 E CA 1.510 57.905 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 -0.394 120.007 120.500 -0.164 0.000 2.075 809 R HA -0.112 4.228 4.340 -0.000 0.000 0.232 809 R C 2.315 178.571 176.300 -0.074 0.000 1.126 809 R CA 1.067 57.052 56.100 -0.192 0.000 0.963 809 R CB -0.432 29.637 30.300 -0.385 0.000 0.858 809 R HN 0.254 nan 8.270 nan 0.000 0.435 810 W N 2.121 123.379 121.300 -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 0.476 57.682 57.345 -0.232 0.000 1.274 810 W CB -0.591 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 -0.095 120.532 120.400 0.378 0.000 1.985 811 K HA -0.124 4.196 4.320 -0.000 0.000 0.210 811 K C 2.203 178.883 176.600 0.134 0.000 1.047 811 K CA 1.749 58.223 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 1.281 124.147 122.820 0.076 0.000 1.978 812 A HA -0.146 4.173 4.320 -0.000 0.000 0.220 812 A C 2.213 179.802 177.584 0.008 0.000 1.170 812 A CA 1.951 54.011 52.037 0.038 0.000 0.636 812 A CB -0.528 18.478 19.000 0.010 0.000 0.810 812 A HN 0.395 nan 8.150 nan 0.000 0.448 813 A N -2.067 120.736 122.820 -0.029 0.000 2.119 813 A HA 0.380 4.699 4.320 -0.000 0.000 0.216 813 A C 1.931 179.426 177.584 -0.149 0.000 1.152 813 A CA 1.339 53.355 52.037 -0.035 0.000 0.708 813 A CB -0.812 18.145 19.000 -0.072 0.000 0.805 813 A HN 1.912 nan 8.150 nan 0.000 0.460 814 G N -1.856 106.807 108.800 -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 0.624 175.483 174.900 -0.067 0.000 0.982 814 G CA 0.672 45.437 45.100 -0.558 0.000 0.662 814 G HN 0.722 nan 8.290 nan 0.000 0.527 815 H N -1.238 117.782 119.070 -0.083 0.000 2.353 815 H HA -0.134 4.422 4.556 -0.000 0.000 0.298 815 H C 2.192 177.478 175.328 -0.070 0.000 1.103 815 H CA 1.674 57.681 56.048 -0.069 0.000 1.293 815 H CB 0.032 29.691 29.762 -0.171 0.000 1.372 815 H HN 0.596 nan 8.280 nan 0.000 0.501 816 Y N 0.799 121.215 120.300 0.193 0.000 2.571 816 Y HA -0.124 4.426 4.550 -0.000 0.000 0.294 816 Y C 1.644 177.623 175.900 0.131 0.000 1.141 816 Y CA 0.803 58.980 58.100 0.129 0.000 1.308 816 Y CB 0.322 38.845 38.460 0.105 0.000 1.002 816 Y HN 0.402 nan 8.280 nan 0.000 0.551 817 Q N -0.977 118.979 119.800 0.260 0.000 2.063 817 Q HA 0.474 4.814 4.340 -0.000 0.000 0.245 817 Q C -0.270 175.904 176.000 0.291 0.000 0.828 817 Q CA -0.363 55.595 55.803 0.257 0.000 1.089 817 Q CB 0.309 29.192 28.738 0.240 0.000 1.232 817 Q HN 0.110 nan 8.270 nan 0.000 0.445 818 A N 1.103 124.103 122.820 0.301 0.000 2.351 818 A HA 0.385 4.705 4.320 -0.000 0.000 0.257 818 A C -0.098 177.735 177.584 0.414 0.000 1.087 818 A CA -0.180 52.074 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 0.617 121.000 120.200 0.305 0.000 2.133 819 E HA 0.481 4.831 4.350 -0.000 0.000 0.274 819 E C -0.068 176.515 176.600 -0.029 0.000 0.930 819 E CA -0.215 56.290 56.400 0.175 0.000 0.770 819 E CB 1.711 31.481 29.700 0.115 0.000 1.104 819 E HN 0.729 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 -0.231 177.181 177.584 -0.287 0.000 1.082 820 A CA -0.063 51.532 52.037 -0.737 0.000 0.785 820 A CB 0.530 19.102 19.000 -0.714 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 0.554 4.873 4.320 -0.000 0.000 0.295 821 A C -0.696 176.783 177.584 -0.175 0.000 1.066 821 A CA -0.566 51.384 52.037 -0.144 0.000 0.722 821 A CB 0.725 19.666 19.000 -0.097 0.000 1.206 821 A HN 1.069 nan 8.150 nan 0.000 0.435 822 L N 3.339 124.438 121.223 -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 0.071 54.680 54.840 -0.385 0.000 0.880 822 L CB 0.139 42.001 42.059 -0.329 0.000 1.142 822 L HN 0.835 nan 8.230 nan 0.000 0.473 823 L N 3.637 124.707 121.223 -0.255 0.000 2.425 823 L HA 0.199 4.539 4.340 -0.000 0.000 0.215 823 L C 0.447 177.249 176.870 -0.113 0.000 1.065 823 L CA 0.191 54.955 54.840 -0.127 0.000 0.842 823 L CB 0.204 42.224 42.059 -0.066 0.000 1.033 823 L HN 0.793 nan 8.230 nan 0.000 0.474 824 Q N -0.583 119.121 119.800 -0.161 0.000 2.617 824 Q HA 0.289 4.629 4.340 -0.000 0.000 0.270 824 Q C -1.847 174.094 176.000 -0.098 0.000 0.967 824 Q CA -0.756 54.990 55.803 -0.096 0.000 0.887 824 Q CB 2.285 30.998 28.738 -0.041 0.000 1.516 824 Q HN 0.019 nan 8.270 nan 0.000 0.395 825 C N 2.782 122.063 119.300 -0.033 0.000 2.705 825 C HA 0.887 5.346 4.460 -0.000 0.000 0.369 825 C C -1.061 173.998 174.990 0.115 0.000 1.069 825 C CA 0.768 59.804 59.018 0.030 0.000 1.260 825 C CB 0.816 28.565 27.740 0.015 0.000 1.764 825 C HN 0.923 nan 8.230 nan 0.000 0.469 826 T N 2.823 117.415 114.554 0.063 0.000 2.896 826 T HA 0.894 5.244 4.350 -0.000 0.000 0.297 826 T C -0.536 174.034 174.700 -0.217 0.000 1.108 826 T CA -0.019 62.078 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 1.604 124.165 122.820 -0.431 0.000 2.401 827 A HA 0.839 5.159 4.320 -0.000 0.000 0.310 827 A C -1.208 176.161 177.584 -0.357 0.000 1.075 827 A CA -0.639 51.035 52.037 -0.605 0.000 0.746 827 A CB 1.437 19.673 19.000 -1.274 0.000 1.277 827 A HN 0.893 nan 8.150 nan 0.000 0.425 828 D N 0.198 120.432 120.400 -0.276 0.000 2.736 828 D HA 0.428 5.068 4.640 -0.000 0.000 0.223 828 D C -1.311 174.908 176.300 -0.136 0.000 1.231 828 D CA -0.012 53.886 54.000 -0.169 0.000 0.818 828 D CB 2.412 43.142 40.800 -0.117 0.000 1.587 828 D HN 0.411 nan 8.370 nan 0.000 0.463 829 T N 1.845 116.343 114.554 -0.093 0.000 2.758 829 T HA 0.487 4.837 4.350 -0.000 0.000 0.285 829 T C 0.109 174.782 174.700 -0.044 0.000 0.981 829 T CA -0.512 61.550 62.100 -0.063 0.000 0.965 829 T CB 0.895 69.741 68.868 -0.037 0.000 0.927 829 T HN 0.062 nan 8.240 nan 0.000 0.448 830 L N 1.700 122.898 121.223 -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 0.130 42.172 42.059 -0.029 0.000 1.290 830 L HN 0.694 nan 8.230 nan 0.000 0.462 831 A N -0.277 122.537 122.820 -0.011 0.000 2.019 831 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 831 A C 0.865 178.448 177.584 -0.001 0.000 1.164 831 A CA 1.947 53.982 52.037 -0.004 0.000 0.644 831 A CB -0.692 18.307 19.000 -0.001 0.000 0.805 831 A HN 0.857 nan 8.150 nan 0.000 0.449 832 D N -2.574 117.823 120.400 -0.004 0.000 2.500 832 D HA 0.560 5.200 4.640 -0.000 0.000 0.217 832 D C 0.263 176.557 176.300 -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 -1.774 175.776 177.584 -0.057 0.000 1.126 833 A CA -0.765 51.247 52.037 -0.041 0.000 0.632 833 A CB 0.739 19.711 19.000 -0.046 0.000 1.331 833 A HN -0.013 nan 8.150 nan 0.000 0.482 834 V N 0.273 120.134 119.914 -0.089 0.000 2.581 834 V HA 0.695 4.815 4.120 -0.000 0.000 0.303 834 V C -0.923 175.091 176.094 -0.134 0.000 1.041 834 V CA -0.482 61.748 62.300 -0.117 0.000 0.907 834 V CB 1.371 33.111 31.823 -0.137 0.000 0.994 834 V HN 0.829 nan 8.190 nan 0.000 0.442 835 L N 5.697 126.832 121.223 -0.146 0.000 2.356 835 L HA 0.680 5.020 4.340 -0.000 0.000 0.277 835 L C -0.969 175.787 176.870 -0.191 0.000 0.996 835 L CA -0.085 54.677 54.840 -0.131 0.000 0.822 835 L CB 1.475 43.480 42.059 -0.090 0.000 1.256 835 L HN 0.407 nan 8.230 nan 0.000 0.413 836 I N 3.453 123.918 120.570 -0.174 0.000 2.474 836 I HA 0.594 4.764 4.170 -0.000 0.000 0.294 836 I C 0.145 176.250 176.117 -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 39.458 38.000 -0.546 0.000 1.289 836 I HN 0.705 nan 8.210 nan 0.000 0.436 837 T N 1.933 116.474 114.554 -0.023 0.000 2.886 837 T HA 0.850 5.200 4.350 -0.000 0.000 0.292 837 T C -0.365 174.389 174.700 0.089 0.000 1.012 837 T CA -0.462 61.676 62.100 0.064 0.000 0.982 837 T CB 2.042 70.926 68.868 0.028 0.000 1.018 837 T HN 0.779 nan 8.240 nan 0.000 0.451 838 T N -0.449 114.200 114.554 0.157 0.000 2.887 838 T HA 0.884 5.234 4.350 -0.000 0.000 0.292 838 T C -0.751 174.032 174.700 0.138 0.000 1.087 838 T CA -0.823 61.358 62.100 0.135 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 1.316 124.151 122.820 0.024 0.000 2.480 839 A HA 0.712 5.032 4.320 -0.000 0.000 0.289 839 A C -1.485 176.058 177.584 -0.068 0.000 1.044 839 A CA -0.769 51.324 52.037 0.093 0.000 0.761 839 A CB 0.670 19.699 19.000 0.049 0.000 1.289 839 A HN 0.977 nan 8.150 nan 0.000 0.401 840 H N 0.257 119.386 119.070 0.099 0.000 2.834 840 H HA 0.877 5.433 4.556 -0.000 0.000 0.369 840 H C -0.002 175.344 175.328 0.029 0.000 1.174 840 H CA 0.109 56.125 56.048 -0.053 0.000 1.165 840 H CB 2.105 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 1.031 123.843 122.820 -0.014 0.000 2.398 841 A HA 0.416 4.736 4.320 -0.000 0.000 0.301 841 A C -1.499 176.095 177.584 0.016 0.000 1.041 841 A CA -0.730 51.388 52.037 0.134 0.000 0.711 841 A CB 1.177 20.233 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 5.110 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 57.224 57.345 0.089 0.000 1.208 842 W CB 1.586 31.123 29.460 0.128 0.000 1.246 842 W HN 0.767 nan 8.180 nan 0.000 0.490 843 Q N 1.384 121.287 119.800 0.172 0.000 2.496 843 Q HA 0.466 4.806 4.340 -0.000 0.000 0.286 843 Q C -0.925 175.189 176.000 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 1.038 120.124 119.070 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 1.033 30.832 29.762 0.062 0.000 1.895 844 H HN 0.863 nan 8.280 nan 0.000 0.468 845 Q N 3.300 122.872 119.800 -0.380 0.000 2.451 845 Q HA -0.245 4.095 4.340 -0.000 0.000 0.305 845 Q C 0.974 176.927 176.000 -0.077 0.000 1.345 845 Q CA 1.172 56.822 55.803 -0.254 0.000 0.854 845 Q CB -1.444 27.110 28.738 -0.305 0.000 1.162 845 Q HN 1.173 nan 8.270 nan 0.000 0.440 846 G N -0.290 108.485 108.800 -0.042 0.000 2.234 846 G HA2 -0.388 3.571 3.960 -0.000 0.000 0.260 846 G HA3 -0.388 3.571 3.960 -0.000 0.000 0.260 846 G C 0.101 175.008 174.900 0.012 0.000 0.987 846 G CA 0.703 45.797 45.100 -0.009 0.000 0.625 846 G HN 0.410 nan 8.290 nan 0.000 0.532 847 K N 1.101 121.518 120.400 0.029 0.000 2.130 847 K HA 0.627 4.947 4.320 -0.000 0.000 0.268 847 K C -0.233 176.380 176.600 0.021 0.000 0.983 847 K CA -0.109 56.197 56.287 0.032 0.000 0.893 847 K CB 0.905 33.433 32.500 0.047 0.000 1.066 847 K HN 0.009 nan 8.250 nan 0.000 0.450 848 T N 5.520 120.076 114.554 0.003 0.000 2.733 848 T HA 0.236 4.586 4.350 -0.000 0.000 0.294 848 T C 1.108 175.746 174.700 -0.104 0.000 0.956 848 T CA -0.592 61.500 62.100 -0.014 0.000 0.987 848 T CB 0.527 69.409 68.868 0.024 0.000 0.920 848 T HN 0.521 nan 8.240 nan 0.000 0.470 849 L N 2.041 123.086 121.223 -0.297 0.000 2.084 849 L HA 0.334 4.674 4.340 -0.000 0.000 0.202 849 L C 0.088 176.510 176.870 -0.746 0.000 1.074 849 L CA 0.990 55.389 54.840 -0.734 0.000 0.757 849 L CB -0.111 41.026 42.059 -1.537 0.000 0.918 849 L HN 0.516 nan 8.230 nan 0.000 0.444 850 F N -1.037 118.869 119.950 -0.074 0.000 2.629 850 F HA 0.616 5.143 4.527 -0.000 0.000 0.316 850 F C -0.381 175.535 175.800 0.193 0.000 1.081 850 F CA -0.922 57.007 58.000 -0.119 0.000 0.954 850 F CB 2.163 40.752 39.000 -0.685 0.000 1.337 850 F HN -0.310 nan 8.300 nan 0.000 0.474 851 I N 1.392 122.217 120.570 0.425 0.000 2.499 851 I HA 0.317 4.487 4.170 -0.000 0.000 0.288 851 I C -1.011 175.385 176.117 0.464 0.000 1.048 851 I CA -0.503 61.061 61.300 0.441 0.000 1.062 851 I CB 2.208 40.376 38.000 0.280 0.000 1.238 851 I HN 0.545 nan 8.210 nan 0.000 0.426 852 S N 6.970 123.043 115.700 0.621 0.000 2.552 852 S HA 0.576 5.046 4.470 -0.000 0.000 0.314 852 S C -0.728 174.128 174.600 0.427 0.000 1.099 852 S CA -0.659 57.870 58.200 0.547 0.000 1.070 852 S CB 0.753 64.389 63.200 0.727 0.000 0.998 852 S HN 0.576 nan 8.310 nan 0.000 0.474 853 R N 3.618 124.290 120.500 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 1.841 32.239 30.300 0.162 0.000 1.163 853 R HN 0.564 nan 8.270 nan 0.000 0.450 854 K N 0.636 121.108 120.400 0.119 0.000 2.395 854 K HA 0.539 4.859 4.320 -0.000 0.000 0.245 854 K C -0.650 175.930 176.600 -0.033 0.000 1.017 854 K CA -0.960 55.309 56.287 -0.030 0.000 0.852 854 K CB 2.356 34.767 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 -1.485 173.119 174.700 -0.160 0.000 1.064 855 T CA -0.778 61.280 62.100 -0.069 0.000 1.008 855 T CB 0.399 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 1.471 121.756 120.300 -0.026 0.000 2.350 856 Y HA 0.706 5.256 4.550 -0.000 0.000 0.338 856 Y C 0.434 176.284 175.900 -0.084 0.000 0.961 856 Y CA -1.141 56.952 58.100 -0.012 0.000 1.100 856 Y CB 1.930 40.417 38.460 0.046 0.000 1.179 856 Y HN 0.854 nan 8.280 nan 0.000 0.454 857 R N 4.538 125.085 120.500 0.079 0.000 2.483 857 R HA 0.641 4.981 4.340 -0.000 0.000 0.303 857 R C -2.030 174.233 176.300 -0.062 0.000 0.987 857 R CA -0.349 55.744 56.100 -0.013 0.000 0.881 857 R CB 0.736 31.030 30.300 -0.009 0.000 1.177 857 R HN 0.813 nan 8.270 nan 0.000 0.451 858 I N 5.085 125.564 120.570 -0.152 0.000 2.339 858 I HA 0.237 4.407 4.170 -0.000 0.000 0.290 858 I C -0.277 175.740 176.117 -0.166 0.000 0.994 858 I CA -0.894 60.254 61.300 -0.254 0.000 1.191 858 I CB 1.487 39.172 38.000 -0.525 0.000 1.343 858 I HN 0.739 nan 8.210 nan 0.000 0.458 859 D N 4.369 124.704 120.400 -0.107 0.000 2.549 859 D HA 0.240 4.880 4.640 -0.000 0.000 0.270 859 D C 1.216 177.499 176.300 -0.029 0.000 1.181 859 D CA -0.703 53.266 54.000 -0.052 0.000 1.070 859 D CB 0.778 41.566 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 3.838 3.960 -0.000 0.000 0.212 860 G HA3 -0.121 3.838 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 0.878 45.983 45.100 0.009 0.000 0.787 860 G HN 0.524 nan 8.290 nan 0.000 0.534 861 S N -1.007 114.697 115.700 0.007 0.000 2.558 861 S HA 0.367 4.837 4.470 -0.000 0.000 0.217 861 S C 1.764 176.395 174.600 0.052 0.000 0.975 861 S CA 0.925 59.132 58.200 0.012 0.000 0.912 861 S CB 0.047 63.252 63.200 0.009 0.000 0.776 861 S HN 1.395 nan 8.310 nan 0.000 0.526 862 G N 0.818 109.664 108.800 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 0.020 45.230 45.100 0.182 0.000 0.676 862 G HN 0.633 nan 8.290 nan 0.000 0.522 863 Q N -0.580 119.265 119.800 0.074 0.000 2.235 863 Q HA 0.700 5.040 4.340 -0.000 0.000 0.256 863 Q C 0.037 176.051 176.000 0.024 0.000 0.951 863 Q CA -0.541 55.313 55.803 0.086 0.000 0.890 863 Q CB 1.926 30.713 28.738 0.083 0.000 1.279 863 Q HN 0.367 nan 8.270 nan 0.000 0.444 864 M N 1.889 121.539 119.600 0.084 0.000 2.114 864 M HA 0.532 5.012 4.480 -0.000 0.000 0.332 864 M C -1.469 174.928 176.300 0.161 0.000 1.014 864 M CA -0.521 54.815 55.300 0.060 0.000 0.956 864 M CB 1.180 33.820 32.600 0.067 0.000 1.551 864 M HN 0.783 nan 8.290 nan 0.000 0.427 865 A N 6.919 129.804 122.820 0.108 0.000 2.276 865 A HA 0.759 5.079 4.320 -0.000 0.000 0.316 865 A C -0.831 176.800 177.584 0.078 0.000 1.229 865 A CA -0.664 51.436 52.037 0.106 0.000 0.851 865 A CB 0.479 19.522 19.000 0.071 0.000 1.165 865 A HN 0.904 nan 8.150 nan 0.000 0.513 866 I N 1.403 122.004 120.570 0.051 0.000 2.530 866 I HA 0.472 4.642 4.170 -0.000 0.000 0.297 866 I C -0.141 175.876 176.117 -0.166 0.000 1.011 866 I CA -0.378 60.865 61.300 -0.095 0.000 1.107 866 I CB 2.402 40.365 38.000 -0.062 0.000 1.285 866 I HN 0.501 nan 8.210 nan 0.000 0.436 867 T N 4.856 119.253 114.554 -0.261 0.000 2.879 867 T HA 0.537 4.887 4.350 -0.000 0.000 0.290 867 T C -0.722 173.768 174.700 -0.350 0.000 0.993 867 T CA -0.370 61.573 62.100 -0.263 0.000 0.975 867 T CB 1.860 70.669 68.868 -0.098 0.000 0.981 867 T HN 0.245 nan 8.240 nan 0.000 0.439 868 V N 4.186 123.766 119.914 -0.558 0.000 2.588 868 V HA 0.571 4.691 4.120 -0.000 0.000 0.304 868 V C -0.782 175.145 176.094 -0.277 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 3.353 123.760 120.400 0.012 0.000 2.696 869 D HA 0.535 5.175 4.640 -0.000 0.000 0.251 869 D C -1.091 175.347 176.300 0.230 0.000 1.188 869 D CA -0.147 53.966 54.000 0.188 0.000 0.876 869 D CB 2.898 43.840 40.800 0.237 0.000 1.334 869 D HN 0.272 nan 8.370 nan 0.000 0.540 870 V N 1.804 121.894 119.914 0.292 0.000 2.715 870 V HA 0.376 4.495 4.120 -0.000 0.000 0.310 870 V C 0.027 176.280 176.094 0.264 0.000 1.054 870 V CA -0.736 61.741 62.300 0.296 0.000 0.928 870 V CB 2.632 34.650 31.823 0.324 0.000 1.007 870 V HN 0.393 nan 8.190 nan 0.000 0.437 871 E N 1.751 122.094 120.200 0.238 0.000 2.210 871 E HA 0.651 5.001 4.350 -0.000 0.000 0.266 871 E C -1.650 175.083 176.600 0.221 0.000 0.883 871 E CA -0.563 55.958 56.400 0.202 0.000 0.761 871 E CB 2.612 32.415 29.700 0.171 0.000 1.156 871 E HN 0.422 nan 8.360 nan 0.000 0.412 872 V N 2.115 122.159 119.914 0.217 0.000 2.487 872 V HA 0.397 4.516 4.120 -0.000 0.000 0.298 872 V C 0.027 176.236 176.094 0.192 0.000 1.028 872 V CA -0.911 61.542 62.300 0.255 0.000 0.860 872 V CB 1.559 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 3.379 126.286 122.820 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 52.767 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 1.308 117.084 115.700 0.127 0.000 2.442 874 S HA -0.149 4.321 4.470 -0.000 0.000 0.236 874 S C 0.886 175.572 174.600 0.144 0.000 1.007 874 S CA 1.345 59.633 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 4.780 4.640 -0.000 0.000 0.221 875 D C 0.526 176.877 176.300 0.086 0.000 1.101 875 D CA -0.011 54.038 54.000 0.081 0.000 0.837 875 D CB -0.265 40.566 40.800 0.052 0.000 0.938 875 D HN 0.332 nan 8.370 nan 0.000 0.508 876 T N 0.615 115.251 114.554 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 -2.025 60.183 62.100 0.180 0.000 1.042 876 T CB 1.392 70.398 68.868 0.229 0.000 1.055 876 T HN -0.213 nan 8.240 nan 0.000 0.500 877 P HA 0.197 nan 4.420 nan 0.000 0.271 877 P C -0.599 176.990 177.300 0.481 0.000 1.216 877 P CA -0.218 62.982 63.100 0.166 0.000 0.771 877 P CB 0.113 31.893 31.700 0.134 0.000 0.864 878 H N 3.074 122.483 119.070 0.566 0.000 3.034 878 H HA 0.074 4.630 4.556 -0.000 0.000 0.324 878 H C -1.902 173.761 175.328 0.558 0.000 1.015 878 H CA -1.635 54.691 56.048 0.463 0.000 1.429 878 H CB -0.963 29.004 29.762 0.341 0.000 1.429 878 H HN 0.299 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 -0.300 62.861 63.100 0.101 0.000 0.786 879 P CB 0.771 32.373 31.700 -0.162 0.000 0.927 880 A N 3.482 125.995 122.820 -0.513 0.000 1.972 880 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 880 A C 1.037 178.246 177.584 -0.625 0.000 1.169 880 A CA 1.572 53.252 52.037 -0.595 0.000 0.635 880 A CB -0.606 17.847 19.000 -0.913 0.000 0.810 880 A HN 0.769 nan 8.150 nan 0.000 0.446 881 R N -3.015 117.158 120.500 -0.545 0.000 2.752 881 R HA 0.689 5.029 4.340 -0.000 0.000 0.277 881 R C -1.893 174.170 176.300 -0.394 0.000 1.024 881 R CA -0.825 54.972 56.100 -0.505 0.000 0.866 881 R CB 0.537 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 1.161 121.530 120.570 -0.335 0.000 2.540 882 I HA 0.641 4.811 4.170 -0.000 0.000 0.280 882 I C -0.443 175.433 176.117 -0.401 0.000 1.083 882 I CA -0.443 60.661 61.300 -0.326 0.000 1.080 882 I CB 1.728 39.616 38.000 -0.186 0.000 1.205 882 I HN 1.009 nan 8.210 nan 0.000 0.459 883 G N 5.929 114.452 108.800 -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 -1.768 172.956 174.900 -0.292 0.000 1.243 883 G CA -0.525 44.357 45.100 -0.363 0.000 0.843 883 G HN 0.294 nan 8.290 nan 0.000 0.486 884 L N 0.673 121.771 121.223 -0.209 0.000 2.327 884 L HA 0.682 5.021 4.340 -0.000 0.000 0.258 884 L C -0.844 175.921 176.870 -0.175 0.000 1.024 884 L CA -1.139 53.600 54.840 -0.168 0.000 0.825 884 L CB 2.638 44.662 42.059 -0.058 0.000 1.386 884 L HN 0.875 nan 8.230 nan 0.000 0.417 885 N N 0.225 118.851 118.700 -0.124 0.000 2.927 885 N HA 0.689 5.429 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 -1.927 117.420 119.300 0.079 0.000 3.253 886 C HA 0.566 5.026 4.460 -0.000 0.000 0.342 886 C C -1.376 173.532 174.990 -0.135 0.000 1.306 886 C CA -0.860 58.178 59.018 0.033 0.000 1.207 886 C CB 0.935 28.680 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 -0.422 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 2.741 123.778 121.223 -0.311 0.000 2.397 888 L HA 0.258 4.598 4.340 -0.000 0.000 0.271 888 L C 1.200 177.982 176.870 -0.146 0.000 1.148 888 L CA -0.237 54.526 54.840 -0.129 0.000 0.825 888 L CB 0.963 43.041 42.059 0.032 0.000 1.117 888 L HN 0.819 nan 8.230 nan 0.000 0.456 889 A N 2.544 125.298 122.820 -0.109 0.000 1.969 889 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 889 A C 1.132 178.679 177.584 -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 -0.598 119.195 119.800 -0.011 0.000 2.382 890 Q HA 0.464 4.804 4.340 -0.000 0.000 0.229 890 Q C -1.128 174.881 176.000 0.016 0.000 1.006 890 Q CA 0.097 55.892 55.803 -0.014 0.000 0.916 890 Q CB 0.937 29.671 28.738 -0.007 0.000 1.235 890 Q HN 0.141 nan 8.270 nan 0.000 0.512 891 V N 2.097 121.987 119.914 -0.039 0.000 2.610 891 V HA 0.739 4.858 4.120 -0.000 0.000 0.298 891 V C -0.867 175.179 176.094 -0.080 0.000 1.067 891 V CA -0.119 62.196 62.300 0.024 0.000 0.894 891 V CB 1.098 32.931 31.823 0.017 0.000 1.015 891 V HN 0.946 nan 8.190 nan 0.000 0.432 892 A N 3.278 126.007 122.820 -0.152 0.000 2.347 892 A HA 0.883 5.203 4.320 -0.000 0.000 0.301 892 A C 0.632 178.259 177.584 0.071 0.000 1.163 892 A CA -0.303 51.629 52.037 -0.176 0.000 0.860 892 A CB 1.496 20.193 19.000 -0.505 0.000 1.367 892 A HN 0.734 nan 8.150 nan 0.000 0.461 893 E N -0.293 119.935 120.200 0.047 0.000 2.060 893 E HA 0.069 4.419 4.350 -0.000 0.000 0.189 893 E C 0.614 177.300 176.600 0.143 0.000 0.974 893 E CA 1.022 57.474 56.400 0.086 0.000 0.808 893 E CB 0.140 29.868 29.700 0.046 0.000 0.768 893 E HN 0.527 nan 8.360 nan 0.000 0.453 894 R N -0.576 120.019 120.500 0.159 0.000 2.856 894 R HA 0.602 4.942 4.340 -0.000 0.000 0.258 894 R C -1.091 175.397 176.300 0.312 0.000 1.066 894 R CA -0.922 55.297 56.100 0.200 0.000 1.045 894 R CB 2.140 32.526 30.300 0.143 0.000 1.178 894 R HN -0.133 nan 8.270 nan 0.000 0.499 895 V N 1.550 121.652 119.914 0.312 0.000 2.623 895 V HA 0.332 4.452 4.120 -0.000 0.000 0.304 895 V C -0.653 175.709 176.094 0.447 0.000 1.054 895 V CA -0.948 61.574 62.300 0.371 0.000 0.882 895 V CB 1.914 33.909 31.823 0.287 0.000 1.002 895 V HN 0.718 nan 8.190 nan 0.000 0.424 896 N N 4.067 123.020 118.700 0.423 0.000 2.352 896 N HA 0.549 5.288 4.740 -0.000 0.000 0.291 896 N C -1.469 174.311 175.510 0.451 0.000 1.040 896 N CA -0.399 52.871 53.050 0.367 0.000 0.864 896 N CB 2.912 41.507 38.487 0.180 0.000 1.440 896 N HN 0.830 nan 8.380 nan 0.000 0.483 897 W N 3.139 124.497 121.300 0.096 0.000 3.074 897 W HA 0.614 5.274 4.660 -0.000 0.000 0.332 897 W C -2.146 174.375 176.519 0.003 0.000 1.253 897 W CA -1.072 56.313 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 -0.083 0.000 1.012 898 L CA 0.395 55.081 54.840 -0.256 0.000 0.859 898 L CB 0.755 42.717 42.059 -0.163 0.000 1.224 898 L HN 1.029 nan 8.230 nan 0.000 0.429 899 G N 3.661 112.324 108.800 -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 -1.587 173.466 174.900 0.255 0.000 1.226 899 G CA -1.011 44.174 45.100 0.142 0.000 0.913 899 G HN 0.369 nan 8.290 nan 0.000 0.483 900 L N 1.521 122.973 121.223 0.382 0.000 2.361 900 L HA 0.582 4.922 4.340 -0.000 0.000 0.278 900 L C 0.967 177.904 176.870 0.112 0.000 1.113 900 L CA 0.511 55.495 54.840 0.239 0.000 0.849 900 L CB 0.441 42.572 42.059 0.120 0.000 1.155 900 L HN 0.976 nan 8.230 nan 0.000 0.452 901 G N 3.559 112.162 108.800 -0.329 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 -0.376 44.057 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 0.209 177.303 177.300 -0.343 0.000 1.211 902 P CA 0.305 62.807 63.100 -0.995 0.000 0.824 902 P CB 0.614 31.884 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 -0.527 55.153 55.803 -0.205 0.000 0.936 903 Q CB 0.785 29.430 28.738 -0.155 0.000 1.204 903 Q HN 0.175 nan 8.270 nan 0.000 0.524 904 E N 1.390 121.476 120.200 -0.190 0.000 2.708 904 E HA -0.146 4.204 4.350 -0.000 0.000 0.260 904 E C -1.027 175.482 176.600 -0.152 0.000 0.937 904 E CA 0.361 56.641 56.400 -0.201 0.000 0.953 904 E CB 0.199 29.853 29.700 -0.077 0.000 0.915 904 E HN 0.612 nan 8.360 nan 0.000 0.487 905 N N 2.776 121.303 118.700 -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 -0.193 120.018 120.300 -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 -0.190 nan 4.420 nan 0.000 0.216 907 P C 0.438 177.677 177.300 -0.102 0.000 1.157 907 P CA 2.211 65.359 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 -2.105 118.036 120.400 -0.430 0.000 2.358 908 D HA 0.007 4.647 4.640 -0.000 0.000 0.224 908 D C 0.553 176.714 176.300 -0.233 0.000 1.123 908 D CA 0.032 53.574 54.000 -0.764 0.000 0.833 908 D CB -0.246 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 1.018 121.479 120.500 -0.064 0.000 2.928 909 R HA 0.212 4.552 4.340 -0.000 0.000 0.248 909 R C -0.762 175.573 176.300 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 -0.898 120.369 121.223 0.074 0.000 3.664 910 L HA 0.289 4.629 4.340 -0.000 0.000 0.341 910 L C 1.236 178.170 176.870 0.105 0.000 1.247 910 L CA 0.226 55.106 54.840 0.068 0.000 1.133 910 L CB 0.113 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 -2.377 112.267 114.554 0.150 0.000 2.881 911 T HA 0.001 4.351 4.350 -0.000 0.000 0.270 911 T C 1.700 176.502 174.700 0.170 0.000 1.068 911 T CA 1.392 63.607 62.100 0.192 0.000 1.131 911 T CB -0.293 68.729 68.868 0.257 0.000 0.871 911 T HN 0.431 nan 8.240 nan 0.000 0.479 912 A N 1.281 124.207 122.820 0.176 0.000 2.119 912 A HA 0.676 4.996 4.320 -0.000 0.000 0.216 912 A C 1.686 179.367 177.584 0.162 0.000 1.152 912 A CA 0.493 52.604 52.037 0.124 0.000 0.708 912 A CB -0.863 18.321 19.000 0.307 0.000 0.805 912 A HN 0.821 nan 8.150 nan 0.000 0.460 916 D N 3.058 122.875 120.400 -0.971 0.000 3.145 916 D HA 0.324 4.963 4.640 -0.000 0.000 0.345 916 D C -1.508 173.878 176.300 -1.524 0.000 1.391 916 D CA -0.675 52.574 54.000 -1.251 0.000 0.930 916 D CB 2.205 42.222 40.800 -1.305 0.000 1.451 916 D HN 0.628 nan 8.370 nan 0.000 0.555 917 R N 0.524 120.176 120.500 -1.414 0.000 2.229 917 R HA 0.478 4.818 4.340 -0.000 0.000 0.332 917 R C -1.274 174.219 176.300 -1.345 0.000 0.989 917 R CA -0.413 55.011 56.100 -1.126 0.000 0.842 917 R CB 0.505 30.416 30.300 -0.647 0.000 1.119 917 R HN 0.240 nan 8.270 nan 0.000 0.456 918 W N 2.782 123.522 121.300 -0.933 0.000 2.689 918 W HA 0.402 5.062 4.660 -0.000 0.000 0.340 918 W C -0.447 175.682 176.519 -0.649 0.000 1.060 918 W CA -0.639 56.101 57.345 -1.009 0.000 1.218 918 W CB 1.567 29.887 29.460 -1.902 0.000 1.410 918 W HN 0.337 nan 8.180 nan 0.000 0.528 919 D N 3.104 123.450 120.400 -0.090 0.000 2.736 919 D HA 0.518 5.158 4.640 -0.000 0.000 0.243 919 D C -1.276 175.121 176.300 0.162 0.000 1.304 919 D CA -0.121 53.926 54.000 0.078 0.000 0.934 919 D CB 1.209 42.022 40.800 0.020 0.000 1.382 919 D HN 0.393 nan 8.370 nan 0.000 0.571 920 L N 2.654 124.044 121.223 0.279 0.000 2.397 920 L HA 0.561 4.900 4.340 -0.000 0.000 0.251 920 L C -2.557 174.436 176.870 0.205 0.000 1.064 920 L CA -2.135 52.845 54.840 0.232 0.000 0.859 920 L CB 2.733 44.963 42.059 0.284 0.000 1.468 920 L HN 0.186 nan 8.230 nan 0.000 0.411 921 P HA 0.166 nan 4.420 nan 0.000 0.290 921 P C 0.463 177.842 177.300 0.131 0.000 1.276 921 P CA -0.509 62.669 63.100 0.131 0.000 0.808 921 P CB 1.320 33.076 31.700 0.094 0.000 0.966 922 L N 3.675 124.981 121.223 0.139 0.000 2.085 922 L HA -0.317 4.023 4.340 -0.000 0.000 0.218 922 L C 2.188 179.111 176.870 0.088 0.000 1.080 922 L CA 2.844 57.752 54.840 0.114 0.000 0.776 922 L CB -1.526 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 -1.813 113.941 115.700 0.090 0.000 2.400 923 S HA -0.192 4.278 4.470 -0.000 0.000 0.232 923 S C 1.624 176.295 174.600 0.117 0.000 1.025 923 S CA 1.242 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 1.323 121.774 120.400 0.085 0.000 2.348 924 D HA 0.082 4.722 4.640 -0.000 0.000 0.216 924 D C 1.195 177.511 176.300 0.027 0.000 0.970 924 D CA 0.606 54.639 54.000 0.055 0.000 0.889 924 D CB -0.185 40.652 40.800 0.061 0.000 0.912 924 D HN 0.415 nan 8.370 nan 0.000 0.524 925 M N -0.231 119.395 119.600 0.043 0.000 2.581 925 M HA 0.080 4.560 4.480 -0.000 0.000 0.224 925 M C -0.155 176.163 176.300 0.031 0.000 1.171 925 M CA -0.019 55.264 55.300 -0.028 0.000 0.993 925 M CB -0.966 31.599 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 -0.854 174.966 175.900 -0.134 0.000 0.969 926 Y CA -0.805 57.253 58.100 -0.070 0.000 1.052 926 Y CB 1.530 40.002 38.460 0.020 0.000 1.215 926 Y HN -0.077 nan 8.280 nan 0.000 0.451 927 T N 8.636 122.646 114.554 -0.908 0.000 2.893 927 T HA 0.261 4.611 4.350 -0.000 0.000 0.324 927 T C -2.657 171.198 174.700 -1.407 0.000 1.082 927 T CA -1.494 59.981 62.100 -1.041 0.000 0.983 927 T CB 0.961 69.330 68.868 -0.831 0.000 1.005 927 T HN 0.449 nan 8.240 nan 0.000 0.475 928 P HA 0.038 nan 4.420 nan 0.000 0.246 928 P C -0.564 176.559 177.300 -0.295 0.000 1.675 928 P CA -0.301 62.358 63.100 -0.735 0.000 0.908 928 P CB -0.895 30.527 31.700 -0.462 0.000 1.890 929 Y N -0.430 119.753 120.300 -0.194 0.000 2.632 929 Y HA -0.091 4.459 4.550 -0.000 0.000 0.329 929 Y C 2.272 178.188 175.900 0.026 0.000 1.174 929 Y CA -0.496 57.567 58.100 -0.062 0.000 1.469 929 Y CB 0.494 38.870 38.460 -0.141 0.000 1.242 929 Y HN -0.126 nan 8.280 nan 0.000 0.540 930 V N 4.317 124.419 119.914 0.315 0.000 2.250 930 V HA -0.337 3.783 4.120 -0.000 0.000 0.250 930 V C 0.628 176.873 176.094 0.253 0.000 1.060 930 V CA 1.678 64.146 62.300 0.280 0.000 1.030 930 V CB -0.511 31.512 31.823 0.334 0.000 0.643 930 V HN 0.606 nan 8.190 nan 0.000 0.445 931 F N 3.404 123.389 119.950 0.059 0.000 2.391 931 F HA 0.511 5.038 4.527 -0.000 0.000 0.359 931 F C -2.322 173.475 175.800 -0.005 0.000 1.122 931 F CA -3.188 54.798 58.000 -0.023 0.000 1.120 931 F CB 0.957 39.832 39.000 -0.208 0.000 1.142 931 F HN -0.001 nan 8.300 nan 0.000 0.483 932 P HA 0.351 nan 4.420 nan 0.000 0.278 932 P C -1.227 175.768 177.300 -0.507 0.000 1.238 932 P CA -0.182 62.654 63.100 -0.440 0.000 0.794 932 P CB 1.661 33.167 31.700 -0.324 0.000 0.955 933 S N -0.352 115.241 115.700 -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 -0.934 57.213 58.200 -0.089 0.000 0.819 933 S CB 0.248 63.431 63.200 -0.027 0.000 1.119 933 S HN 0.385 nan 8.310 nan 0.000 0.476 934 E N 1.228 121.429 120.200 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 1.138 57.562 56.400 0.039 0.000 0.945 934 E CB -0.313 29.434 29.700 0.077 0.000 0.924 934 E HN 0.835 nan 8.360 nan 0.000 0.467 935 N N 1.174 119.948 118.700 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 -0.148 174.504 174.900 -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 0.972 121.879 121.223 -0.527 0.000 2.506 937 L HA 0.490 4.830 4.340 -0.000 0.000 0.281 937 L C 0.732 177.032 176.870 -0.951 0.000 1.228 937 L CA 0.325 54.617 54.840 -0.912 0.000 0.850 937 L CB 0.378 41.587 42.059 -1.416 0.000 1.110 937 L HN 0.314 nan 8.230 nan 0.000 0.496 938 R N 3.856 123.711 120.500 -1.075 0.000 2.532 938 R HA 0.475 4.815 4.340 -0.000 0.000 0.297 938 R C -1.067 174.867 176.300 -0.611 0.000 0.984 938 R CA -0.618 54.977 56.100 -0.842 0.000 0.884 938 R CB 0.731 30.491 30.300 -0.900 0.000 1.182 938 R HN 0.618 nan 8.270 nan 0.000 0.442 939 C N -0.441 118.650 119.300 -0.348 0.000 2.380 939 C HA 0.716 5.176 4.460 -0.000 0.000 0.393 939 C C 1.362 176.328 174.990 -0.040 0.000 1.284 939 C CA 0.087 58.989 59.018 -0.193 0.000 2.033 939 C CB 0.965 28.619 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 -0.166 3.793 3.960 -0.000 0.000 0.296 940 G HA3 -0.166 3.793 3.960 -0.000 0.000 0.296 940 G C -0.143 174.819 174.900 0.102 0.000 1.040 940 G CA 0.472 45.611 45.100 0.065 0.000 1.004 940 G HN 0.829 nan 8.290 nan 0.000 0.509 941 T N -0.511 113.973 114.554 -0.116 0.000 2.837 941 T HA 0.560 4.910 4.350 -0.000 0.000 0.285 941 T C 1.429 175.832 174.700 -0.495 0.000 0.984 941 T CA -0.528 61.445 62.100 -0.212 0.000 1.049 941 T CB 1.707 70.421 68.868 -0.257 0.000 0.947 941 T HN 0.332 nan 8.240 nan 0.000 0.472 942 R N 0.905 121.322 120.500 -0.138 0.000 2.287 942 R HA 0.254 4.594 4.340 -0.000 0.000 0.197 942 R C 0.448 176.799 176.300 0.087 0.000 0.900 942 R CA 0.148 56.236 56.100 -0.020 0.000 1.052 942 R CB 0.859 31.268 30.300 0.182 0.000 1.117 942 R HN 0.642 nan 8.270 nan 0.000 0.568 943 E N 1.055 121.323 120.200 0.114 0.000 2.304 943 E HA 0.287 4.637 4.350 -0.000 0.000 0.277 943 E C -1.990 174.766 176.600 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 4.169 125.603 121.223 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 54.560 54.840 0.276 0.000 0.822 944 L CB 1.813 43.888 42.059 0.027 0.000 1.285 944 L HN 0.469 nan 8.230 nan 0.000 0.409 945 N N 4.472 123.369 118.700 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 -0.214 53.034 53.050 0.331 0.000 0.864 945 N CB 2.033 40.646 38.487 0.211 0.000 1.370 945 N HN 0.603 nan 8.380 nan 0.000 0.481 946 Y N 1.372 121.852 120.300 0.301 0.000 2.330 946 Y HA 0.447 4.997 4.550 -0.000 0.000 0.324 946 Y C 0.576 176.618 175.900 0.235 0.000 1.093 946 Y CA 0.116 58.370 58.100 0.257 0.000 1.103 946 Y CB 0.615 39.251 38.460 0.293 0.000 1.183 946 Y HN 0.840 nan 8.280 nan 0.000 0.433 947 G N 6.491 115.207 108.800 -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 -1.833 173.007 174.900 -0.101 0.000 1.209 947 G CA -0.068 44.923 45.100 -0.182 0.000 0.959 947 G HN 0.553 nan 8.290 nan 0.000 0.563 948 P HA 0.094 nan 4.420 nan 0.000 0.237 948 P C 0.513 177.574 177.300 -0.399 0.000 1.178 948 P CA 1.104 64.028 63.100 -0.295 0.000 0.766 948 P CB -0.110 31.340 31.700 -0.416 0.000 0.876 949 H N -0.361 118.663 119.070 -0.076 0.000 2.505 949 H HA 0.513 5.069 4.556 -0.000 0.000 0.351 949 H C 0.333 175.439 175.328 -0.369 0.000 1.151 949 H CA -0.127 55.759 56.048 -0.271 0.000 1.339 949 H CB 0.765 30.200 29.762 -0.545 0.000 1.483 949 H HN -0.058 nan 8.280 nan 0.000 0.558 950 Q N 2.111 121.644 119.800 -0.446 0.000 2.284 950 Q HA 0.251 4.591 4.340 -0.000 0.000 0.269 950 Q C -1.933 173.821 176.000 -0.410 0.000 1.026 950 Q CA -0.728 54.926 55.803 -0.249 0.000 0.831 950 Q CB 1.669 30.390 28.738 -0.028 0.000 1.322 950 Q HN 0.623 nan 8.270 nan 0.000 0.419 951 W N 3.608 124.910 121.300 0.004 0.000 2.736 951 W HA 0.649 5.309 4.660 -0.000 0.000 0.335 951 W C -0.292 176.325 176.519 0.163 0.000 1.059 951 W CA -0.909 56.408 57.345 -0.047 0.000 1.226 951 W CB 2.178 31.422 29.460 -0.360 0.000 1.416 951 W HN 0.524 nan 8.180 nan 0.000 0.505 952 R N 0.602 121.357 120.500 0.425 0.000 2.673 952 R HA 0.730 5.070 4.340 -0.000 0.000 0.281 952 R C 0.075 176.652 176.300 0.463 0.000 0.991 952 R CA -0.497 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 0.916 110.014 108.800 0.496 0.000 2.564 953 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.139 953 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.139 953 G C -1.758 173.309 174.900 0.278 0.000 1.147 953 G CA -0.402 44.947 45.100 0.415 0.000 1.031 953 G HN 0.483 nan 8.290 nan 0.000 0.482 954 D N 0.438 121.024 120.400 0.310 0.000 2.330 954 D HA 0.587 5.227 4.640 -0.000 0.000 0.249 954 D C -0.984 175.366 176.300 0.083 0.000 1.306 954 D CA -0.228 53.814 54.000 0.070 0.000 0.956 954 D CB 0.819 41.672 40.800 0.088 0.000 1.261 954 D HN 0.455 nan 8.370 nan 0.000 0.544 955 F N 0.100 120.052 119.950 0.003 0.000 3.016 955 F HA 0.594 5.121 4.527 -0.000 0.000 0.324 955 F C -1.215 174.559 175.800 -0.043 0.000 1.196 955 F CA -1.021 56.922 58.000 -0.095 0.000 0.929 955 F CB 0.720 39.651 39.000 -0.115 0.000 1.440 955 F HN -0.133 nan 8.300 nan 0.000 0.505 956 Q N 1.362 121.265 119.800 0.172 0.000 2.413 956 Q HA 0.707 5.047 4.340 -0.000 0.000 0.276 956 Q C -1.418 174.689 176.000 0.178 0.000 1.099 956 Q CA -0.556 55.268 55.803 0.035 0.000 0.814 956 Q CB 2.969 31.591 28.738 -0.194 0.000 1.379 956 Q HN 0.957 nan 8.270 nan 0.000 0.436 957 F N -1.275 118.561 119.950 -0.191 0.000 2.779 957 F HA 0.772 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 0.889 119.444 118.700 -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 52.167 53.050 -0.296 0.000 0.812 958 N CB 2.529 40.839 38.487 -0.296 0.000 1.557 958 N HN 1.146 nan 8.380 nan 0.000 0.487 959 I N 0.372 120.902 120.570 -0.067 0.000 2.649 959 I HA 0.659 4.828 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 0.087 61.324 61.300 -0.104 0.000 1.046 959 I CB 1.265 39.138 38.000 -0.212 0.000 1.272 959 I HN 1.058 nan 8.210 nan 0.000 0.425 960 S N 6.338 122.017 115.700 -0.034 0.000 2.755 960 S HA 0.554 5.024 4.470 -0.000 0.000 0.286 960 S C -0.319 174.244 174.600 -0.061 0.000 1.207 960 S CA -0.964 57.224 58.200 -0.019 0.000 0.892 960 S CB 1.628 64.896 63.200 0.113 0.000 1.240 960 S HN 0.623 nan 8.310 nan 0.000 0.525 961 R N -0.021 120.288 120.500 -0.318 0.000 2.507 961 R HA 0.290 4.630 4.340 -0.000 0.000 0.298 961 R C -1.102 174.865 176.300 -0.556 0.000 0.999 961 R CA 0.146 55.974 56.100 -0.453 0.000 1.082 961 R CB -0.489 29.408 30.300 -0.673 0.000 1.246 961 R HN 0.623 nan 8.270 nan 0.000 0.553 962 Y N 0.304 120.608 120.300 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 -1.205 56.803 58.100 -0.154 0.000 1.067 962 Y CB 1.511 39.828 38.460 -0.238 0.000 1.199 962 Y HN -0.075 nan 8.280 nan 0.000 0.450 963 S N 1.754 117.121 115.700 -0.557 0.000 2.593 963 S HA 0.066 4.536 4.470 -0.000 0.000 0.269 963 S C 0.883 175.175 174.600 -0.513 0.000 1.334 963 S CA -0.635 56.900 58.200 -1.107 0.000 1.015 963 S CB 1.115 63.678 63.200 -1.062 0.000 0.912 963 S HN 0.760 nan 8.310 nan 0.000 0.541 964 Q N 0.728 120.230 119.800 -0.497 0.000 2.124 964 Q HA -0.208 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 1.871 57.517 55.803 -0.262 0.000 0.850 964 Q CB -0.509 28.111 28.738 -0.198 0.000 0.901 964 Q HN 0.965 nan 8.270 nan 0.000 0.429 965 Q N 0.690 120.348 119.800 -0.236 0.000 2.096 965 Q HA -0.227 4.113 4.340 -0.000 0.000 0.204 965 Q C 2.149 178.070 176.000 -0.132 0.000 0.982 965 Q CA 1.437 57.151 55.803 -0.147 0.000 0.850 965 Q CB 0.024 28.691 28.738 -0.118 0.000 0.901 965 Q HN 0.387 nan 8.270 nan 0.000 0.422 966 Q N 0.115 119.820 119.800 -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 1.734 57.464 55.803 -0.122 0.000 0.843 966 Q CB -0.192 28.468 28.738 -0.131 0.000 0.904 966 Q HN 0.492 nan 8.270 nan 0.000 0.420 967 L N 0.112 121.238 121.223 -0.162 0.000 2.043 967 L HA -0.259 4.081 4.340 -0.000 0.000 0.212 967 L C 2.719 179.476 176.870 -0.189 0.000 1.075 967 L CA 1.441 56.170 54.840 -0.185 0.000 0.752 967 L CB -0.424 41.544 42.059 -0.151 0.000 0.891 967 L HN 0.433 nan 8.230 nan 0.000 0.432 968 M N -0.512 119.003 119.600 -0.143 0.000 2.229 968 M HA -0.178 4.302 4.480 -0.000 0.000 0.264 968 M C 1.729 177.965 176.300 -0.106 0.000 1.063 968 M CA 1.677 56.905 55.300 -0.120 0.000 1.114 968 M CB 0.098 32.635 32.600 -0.105 0.000 1.387 968 M HN 0.189 nan 8.290 nan 0.000 0.420 969 E N -0.656 119.487 120.200 -0.095 0.000 2.474 969 E HA 0.047 4.397 4.350 -0.000 0.000 0.194 969 E C -0.230 176.339 176.600 -0.051 0.000 1.041 969 E CA 0.150 56.516 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 0.253 114.749 114.554 -0.098 0.000 2.829 970 T HA 0.107 4.457 4.350 -0.000 0.000 0.282 970 T C 1.117 175.751 174.700 -0.111 0.000 0.990 970 T CA -0.402 61.645 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 1.484 117.211 115.700 0.044 0.000 2.486 971 S HA 0.106 4.576 4.470 -0.000 0.000 0.220 971 S C 0.247 174.941 174.600 0.157 0.000 1.011 971 S CA 0.135 58.430 58.200 0.158 0.000 0.921 971 S CB -0.175 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 0.705 119.812 119.070 0.061 0.000 2.717 972 H HA 0.533 5.088 4.556 -0.000 0.000 0.366 972 H C 1.037 176.410 175.328 0.076 0.000 1.132 972 H CA -0.768 55.392 56.048 0.186 0.000 1.180 972 H CB 1.495 31.461 29.762 0.339 0.000 1.678 972 H HN 0.123 nan 8.280 nan 0.000 0.537 973 R N 1.538 122.199 120.500 0.269 0.000 2.091 973 R HA -0.199 4.141 4.340 -0.000 0.000 0.238 973 R C 1.346 177.712 176.300 0.109 0.000 1.136 973 R CA 2.002 58.181 56.100 0.132 0.000 0.959 973 R CB -0.622 29.758 30.300 0.133 0.000 0.856 973 R HN 0.792 nan 8.270 nan 0.000 0.437 974 H N 1.680 120.777 119.070 0.045 0.000 2.518 974 H HA -0.030 4.525 4.556 -0.000 0.000 0.292 974 H C 1.435 176.711 175.328 -0.087 0.000 1.068 974 H CA 1.064 57.095 56.048 -0.028 0.000 1.275 974 H CB -0.252 29.485 29.762 -0.043 0.000 1.375 974 H HN 0.356 nan 8.280 nan 0.000 0.563 975 L N 0.825 121.752 121.223 -0.494 0.000 2.611 975 L HA 0.256 4.595 4.340 -0.000 0.000 0.229 975 L C 0.307 177.096 176.870 -0.135 0.000 1.137 975 L CA -0.147 54.458 54.840 -0.393 0.000 0.901 975 L CB -0.001 41.813 42.059 -0.409 0.000 1.098 975 L HN 0.022 nan 8.230 nan 0.000 0.456 976 L N 0.838 121.991 121.223 -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 0.749 42.596 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 -0.762 174.629 175.328 0.105 0.000 1.106 977 H CA -1.179 54.934 56.048 0.108 0.000 1.193 977 H CB 1.376 31.151 29.762 0.022 0.000 1.594 977 H HN 0.713 nan 8.280 nan 0.000 0.526 978 A N 3.467 126.278 122.820 -0.015 0.000 2.531 978 A HA 0.099 4.418 4.320 -0.000 0.000 0.236 978 A C 0.329 177.853 177.584 -0.100 0.000 1.062 978 A CA -0.145 51.704 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 0.571 120.674 120.200 -0.163 0.000 2.292 979 E HA 0.150 4.500 4.350 -0.000 0.000 0.258 979 E C 0.624 177.206 176.600 -0.031 0.000 1.115 979 E CA -0.706 55.707 56.400 0.022 0.000 0.929 979 E CB 0.724 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 0.331 120.521 120.200 -0.018 0.000 2.065 980 E HA -0.224 4.126 4.350 -0.000 0.000 0.201 980 E C 0.937 177.467 176.600 -0.117 0.000 1.016 980 E CA 1.779 58.140 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 -1.461 107.218 108.800 -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 -0.128 44.863 45.100 -0.181 0.000 0.808 981 G HN 0.110 nan 8.290 nan 0.000 0.687 982 T N 0.485 114.927 114.554 -0.186 0.000 2.812 982 T HA 0.377 4.727 4.350 -0.000 0.000 0.282 982 T C -1.489 173.063 174.700 -0.248 0.000 0.990 982 T CA -0.110 61.912 62.100 -0.131 0.000 0.960 982 T CB 1.496 70.397 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 -0.332 176.073 176.519 -0.190 0.000 1.217 983 W CA -0.730 56.530 57.345 -0.143 0.000 1.199 983 W CB 0.830 30.215 29.460 -0.125 0.000 1.202 983 W HN 0.356 nan 8.180 nan 0.000 0.528 984 L N 5.623 126.907 121.223 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 -0.570 54.200 54.840 -0.117 0.000 0.824 984 L CB 1.063 42.918 42.059 -0.339 0.000 1.263 984 L HN 0.329 nan 8.230 nan 0.000 0.410 985 N N 6.968 125.584 118.700 -0.141 0.000 2.407 985 N HA 0.496 5.236 4.740 -0.000 0.000 0.277 985 N C -1.188 174.204 175.510 -0.197 0.000 0.995 985 N CA -0.283 52.671 53.050 -0.159 0.000 0.903 985 N CB 2.366 40.777 38.487 -0.126 0.000 1.218 985 N HN 0.541 nan 8.380 nan 0.000 0.487 986 I N 1.754 122.160 120.570 -0.275 0.000 2.382 986 I HA 0.235 4.405 4.170 -0.000 0.000 0.285 986 I C -0.640 175.313 176.117 -0.274 0.000 1.007 986 I CA -0.624 60.484 61.300 -0.320 0.000 1.142 986 I CB 1.470 39.132 38.000 -0.563 0.000 1.289 986 I HN 0.156 nan 8.210 nan 0.000 0.453 987 D N 4.529 124.804 120.400 -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 1.118 109.374 108.800 -0.906 0.000 2.430 988 G HA2 0.049 4.009 3.960 -0.000 0.000 0.216 988 G HA3 0.049 4.009 3.960 -0.000 0.000 0.216 988 G C 0.042 174.075 174.900 -1.444 0.000 1.146 988 G CA 0.467 44.751 45.100 -1.361 0.000 0.793 988 G HN 0.386 nan 8.290 nan 0.000 0.537 989 F N -1.801 117.956 119.950 -0.323 0.000 2.641 989 F HA 0.529 5.056 4.527 -0.000 0.000 0.308 989 F C -0.730 174.985 175.800 -0.142 0.000 1.105 989 F CA -1.231 56.664 58.000 -0.174 0.000 0.964 989 F CB 1.935 40.788 39.000 -0.246 0.000 1.294 989 F HN -0.076 nan 8.300 nan 0.000 0.442 990 H N 2.736 121.837 119.070 0.053 0.000 2.947 990 H HA 0.408 4.964 4.556 -0.000 0.000 0.354 990 H C -1.069 174.291 175.328 0.053 0.000 1.085 990 H CA -0.756 55.288 56.048 -0.007 0.000 1.253 990 H CB 2.365 32.103 29.762 -0.041 0.000 1.757 990 H HN 0.886 nan 8.280 nan 0.000 0.523 991 M N 2.940 122.490 119.600 -0.083 0.000 2.240 991 M HA 0.282 4.762 4.480 -0.000 0.000 0.317 991 M C 0.404 176.822 176.300 0.197 0.000 1.087 991 M CA 0.550 55.876 55.300 0.042 0.000 1.176 991 M CB 0.402 32.925 32.600 -0.128 0.000 1.439 991 M HN 0.684 nan 8.290 nan 0.000 0.452 992 G N 2.276 111.168 108.800 0.153 0.000 2.653 992 G HA2 0.359 4.319 3.960 -0.000 0.000 0.265 992 G HA3 0.359 4.319 3.960 -0.000 0.000 0.265 992 G C 0.521 175.398 174.900 -0.038 0.000 1.237 992 G CA -0.290 44.829 45.100 0.032 0.000 0.946 992 G HN 1.006 nan 8.290 nan 0.000 0.522 993 I N -2.586 117.908 120.570 -0.127 0.000 3.939 993 I HA 0.442 4.612 4.170 -0.000 0.000 0.313 993 I C 1.135 177.179 176.117 -0.121 0.000 1.274 993 I CA 0.520 61.717 61.300 -0.172 0.000 1.301 993 I CB -0.339 37.467 38.000 -0.323 0.000 1.105 993 I HN 0.956 nan 8.210 nan 0.000 0.427 994 G N 1.622 110.369 108.800 -0.089 0.000 2.645 994 G HA2 0.030 3.990 3.960 -0.000 0.000 0.239 994 G HA3 0.030 3.990 3.960 -0.000 0.000 0.239 994 G C 0.574 175.465 174.900 -0.015 0.000 1.331 994 G CA 0.140 45.227 45.100 -0.021 0.000 0.890 994 G HN 1.378 nan 8.290 nan 0.000 0.572 995 G N -2.399 106.409 108.800 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 2.177 56.291 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 -3.758 116.469 120.400 -0.288 0.000 2.653 997 D HA 0.283 4.923 4.640 -0.000 0.000 0.258 997 D C -0.796 174.997 176.300 -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 40.536 40.800 -1.790 0.000 1.339 997 D HN -0.298 nan 8.370 nan 0.000 0.422 998 S N -0.301 114.718 115.700 -1.135 0.000 2.601 998 S HA 0.233 4.703 4.470 -0.000 0.000 0.244 998 S C -0.484 174.196 174.600 0.135 0.000 1.001 998 S CA -0.655 57.426 58.200 -0.198 0.000 0.984 998 S CB -0.525 62.833 63.200 0.263 0.000 0.842 998 S HN 0.610 nan 8.310 nan 0.000 0.474 999 W N 1.231 122.474 121.300 -0.096 0.000 2.252 999 W HA 0.578 5.238 4.660 -0.000 0.000 0.338 999 W C -0.042 176.431 176.519 -0.077 0.000 0.914 999 W CA -0.641 56.656 57.345 -0.080 0.000 1.754 999 W CB -0.551 28.799 29.460 -0.183 0.000 1.135 999 W HN 0.154 nan 8.180 nan 0.000 0.531 1000 S N -1.273 114.312 115.700 -0.190 0.000 2.588 1000 S HA 0.629 5.099 4.470 -0.000 0.000 0.269 1000 S C -3.213 171.319 174.600 -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 64.763 63.200 -0.126 0.000 1.126 1000 S HN -0.207 nan 8.310 nan 0.000 0.464 1001 P HA 0.286 nan 4.420 nan 0.000 0.271 1001 P C 0.288 177.619 177.300 0.052 0.000 1.233 1001 P CA -0.218 62.894 63.100 0.021 0.000 0.764 1001 P CB 0.804 32.438 31.700 -0.109 0.000 0.825 1002 S N 0.775 116.533 115.700 0.097 0.000 2.701 1002 S HA 0.147 4.617 4.470 -0.000 0.000 0.242 1002 S C 0.330 175.006 174.600 0.126 0.000 1.025 1002 S CA -0.308 57.933 58.200 0.068 0.000 1.016 1002 S CB -0.219 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 4.305 124.337 119.914 0.196 0.000 2.455 1003 V HA 0.397 4.517 4.120 -0.000 0.000 0.273 1003 V C 0.771 177.022 176.094 0.262 0.000 1.045 1003 V CA -0.396 62.021 62.300 0.194 0.000 0.976 1003 V CB 0.693 32.591 31.823 0.125 0.000 0.993 1003 V HN 0.648 nan 8.190 nan 0.000 0.475 1004 S N 4.453 120.340 115.700 0.313 0.000 2.585 1004 S HA 0.414 4.884 4.470 -0.000 0.000 0.273 1004 S C 1.472 176.222 174.600 0.250 0.000 1.339 1004 S CA -0.068 58.301 58.200 0.281 0.000 1.028 1004 S CB 1.449 64.782 63.200 0.222 0.000 0.906 1004 S HN 1.059 nan 8.310 nan 0.000 0.528 1005 A N 2.043 124.953 122.820 0.150 0.000 1.915 1005 A HA -0.235 4.085 4.320 -0.000 0.000 0.220 1005 A C 1.897 179.475 177.584 -0.009 0.000 1.198 1005 A CA 2.219 54.318 52.037 0.103 0.000 0.647 1005 A CB -1.359 17.680 19.000 0.065 0.000 0.825 1005 A HN 0.965 nan 8.150 nan 0.000 0.456 1006 E N -0.906 119.194 120.200 -0.167 0.000 2.331 1006 E HA -0.138 4.212 4.350 -0.000 0.000 0.199 1006 E C 0.840 177.056 176.600 -0.641 0.000 1.008 1006 E CA 1.184 57.312 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 0.690 120.688 119.950 0.081 0.000 2.639 1007 F HA 0.218 4.745 4.527 -0.000 0.000 0.302 1007 F C 0.482 176.320 175.800 0.064 0.000 1.097 1007 F CA -0.410 57.637 58.000 0.079 0.000 1.294 1007 F CB 0.243 39.291 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 55.296 55.803 0.151 0.000 0.899 1008 Q CB 2.026 30.945 28.738 0.303 0.000 1.250 1008 Q HN 0.264 nan 8.270 nan 0.000 0.441 1009 L N 2.406 123.637 121.223 0.013 0.000 2.399 1009 L HA 0.091 4.430 4.340 -0.000 0.000 0.257 1009 L C 0.691 177.461 176.870 -0.167 0.000 1.236 1009 L CA -0.050 54.761 54.840 -0.049 0.000 1.144 1009 L CB -0.392 41.534 42.059 -0.222 0.000 1.379 1009 L HN 0.716 nan 8.230 nan 0.000 0.414 1010 S N -1.084 114.458 115.700 -0.263 0.000 2.539 1010 S HA 0.138 4.608 4.470 -0.000 0.000 0.221 1010 S C 1.726 176.228 174.600 -0.162 0.000 0.987 1010 S CA 0.183 58.051 58.200 -0.554 0.000 0.929 1010 S CB 0.697 63.596 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 -0.070 0.000 2.019 1011 A HA 0.397 4.717 4.320 -0.000 0.000 0.219 1011 A C 2.167 179.613 177.584 -0.229 0.000 1.164 1011 A CA 1.470 53.333 52.037 -0.289 0.000 0.644 1011 A CB -1.337 17.192 19.000 -0.786 0.000 0.805 1011 A HN 1.507 nan 8.150 nan 0.000 0.449 1012 G N -1.597 107.185 108.800 -0.030 0.000 2.417 1012 G HA2 -0.289 3.670 3.960 -0.000 0.000 0.233 1012 G HA3 -0.289 3.670 3.960 -0.000 0.000 0.233 1012 G C 0.431 175.343 174.900 0.019 0.000 1.103 1012 G CA 0.445 45.568 45.100 0.038 0.000 0.647 1012 G HN 0.730 nan 8.290 nan 0.000 0.512 1013 R N -0.599 119.761 120.500 -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 0.156 120.467 120.300 0.020 0.000 2.512 1014 Y HA 0.388 4.938 4.550 -0.000 0.000 0.348 1014 Y C -0.401 175.698 175.900 0.331 0.000 0.990 1014 Y CA -0.915 57.203 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 2.274 121.666 119.070 0.535 0.000 2.717 1015 H HA 0.662 5.218 4.556 -0.000 0.000 0.366 1015 H C -1.749 173.953 175.328 0.623 0.000 1.132 1015 H CA -0.999 55.323 56.048 0.456 0.000 1.180 1015 H CB 1.409 31.324 29.762 0.256 0.000 1.678 1015 H HN 0.596 nan 8.280 nan 0.000 0.537 1016 Y N 1.091 121.098 120.300 -0.489 0.000 2.624 1016 Y HA 0.503 5.053 4.550 -0.000 0.000 0.334 1016 Y C -1.992 173.703 175.900 -0.343 0.000 1.155 1016 Y CA -1.064 56.862 58.100 -0.290 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 3.082 122.839 119.800 -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 3.708 32.473 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 -1.606 175.367 176.870 0.171 0.000 1.001 1018 L CA -1.058 53.861 54.840 0.132 0.000 0.843 1018 L CB 2.714 44.822 42.059 0.080 0.000 1.436 1018 L HN 0.451 nan 8.230 nan 0.000 0.410 1019 V N 1.649 121.698 119.914 0.224 0.000 2.531 1019 V HA 0.491 4.611 4.120 -0.000 0.000 0.301 1019 V C -1.028 175.245 176.094 0.300 0.000 1.034 1019 V CA -0.448 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