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_F 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 0.152 4.502 4.350 -0.000 0.000 0.256 4 T C 0.807 175.558 174.700 0.083 0.000 1.131 4 T CA 1.210 63.337 62.100 0.044 0.000 1.074 4 T CB -0.562 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 2.292 122.794 120.400 0.169 0.000 2.340 5 D HA 0.103 4.743 4.640 -0.000 0.000 0.220 5 D C 0.828 177.327 176.300 0.333 0.000 1.039 5 D CA 0.077 54.284 54.000 0.345 0.000 0.866 5 D CB 0.019 41.063 40.800 0.406 0.000 0.913 5 D HN 0.570 nan 8.370 nan 0.000 0.523 6 S N 0.128 115.917 115.700 0.148 0.000 2.548 6 S HA 0.086 4.556 4.470 -0.000 0.000 0.277 6 S C 1.344 175.992 174.600 0.081 0.000 1.315 6 S CA -0.688 57.558 58.200 0.076 0.000 1.050 6 S CB 1.187 64.404 63.200 0.028 0.000 0.918 6 S HN -0.121 nan 8.310 nan 0.000 0.497 7 L N 4.064 125.313 121.223 0.042 0.000 1.997 7 L HA -0.142 4.198 4.340 -0.000 0.000 0.216 7 L C 3.033 179.919 176.870 0.027 0.000 1.074 7 L CA 2.632 57.502 54.840 0.050 0.000 0.763 7 L CB -1.800 40.246 42.059 -0.021 0.000 0.890 7 L HN 1.000 nan 8.230 nan 0.000 0.434 8 A N -1.442 121.382 122.820 0.008 0.000 1.971 8 A HA -0.254 4.066 4.320 -0.000 0.000 0.222 8 A C 2.527 180.109 177.584 -0.002 0.000 1.182 8 A CA 2.507 54.547 52.037 0.005 0.000 0.649 8 A CB -1.099 17.901 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 0.845 120.674 119.914 -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 2.411 64.521 62.300 -0.316 0.000 1.015 10 V CB -0.774 30.810 31.823 -0.399 0.000 0.638 10 V HN 0.498 nan 8.190 nan 0.000 0.444 11 L N 0.264 121.477 121.223 -0.017 0.000 2.633 11 L HA -0.155 4.185 4.340 -0.000 0.000 0.235 11 L C 2.451 179.401 176.870 0.133 0.000 1.163 11 L CA 0.925 55.888 54.840 0.205 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 2.216 122.019 119.800 0.005 0.000 2.061 12 Q HA -0.219 4.121 4.340 -0.000 0.000 0.204 12 Q C 2.241 178.189 176.000 -0.085 0.000 0.984 12 Q CA 2.099 57.885 55.803 -0.028 0.000 0.846 12 Q CB -0.110 28.597 28.738 -0.051 0.000 0.902 12 Q HN 0.567 nan 8.270 nan 0.000 0.421 13 R N -0.265 120.160 120.500 -0.124 0.000 2.120 13 R HA 0.058 4.398 4.340 -0.000 0.000 0.234 13 R C 0.322 176.430 176.300 -0.320 0.000 1.123 13 R CA 0.907 56.897 56.100 -0.183 0.000 0.975 13 R CB -0.454 29.744 30.300 -0.170 0.000 0.866 13 R HN 0.106 nan 8.270 nan 0.000 0.446 14 R N 1.001 121.209 120.500 -0.486 0.000 3.209 14 R HA -0.141 4.199 4.340 -0.000 0.000 0.252 14 R C -0.558 175.217 176.300 -0.876 0.000 0.958 14 R CA 0.515 55.840 56.100 -1.292 0.000 0.651 14 R CB -1.475 28.210 30.300 -1.024 0.000 1.142 14 R HN 0.490 nan 8.270 nan 0.000 0.441 15 D N -0.184 119.926 120.400 -0.483 0.000 2.218 15 D HA -0.190 4.450 4.640 -0.000 0.000 0.204 15 D C 1.608 177.855 176.300 -0.089 0.000 0.976 15 D CA 1.843 55.639 54.000 -0.339 0.000 0.853 15 D CB -0.120 40.270 40.800 -0.685 0.000 0.939 15 D HN 0.735 nan 8.370 nan 0.000 0.481 16 W N 1.736 123.061 121.300 0.042 0.000 3.096 16 W HA 0.115 4.775 4.660 -0.000 0.000 0.241 16 W C 0.489 177.121 176.519 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 0.942 120.973 120.200 -0.281 0.000 2.995 17 E HA 0.058 4.408 4.350 -0.000 0.000 0.203 17 E C -0.829 175.661 176.600 -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 1.211 119.825 118.700 -0.144 0.000 2.594 18 N HA 0.135 4.875 4.740 -0.000 0.000 0.280 18 N C -2.252 173.143 175.510 -0.191 0.000 1.156 18 N CA -1.868 51.064 53.050 -0.196 0.000 0.831 18 N CB 1.461 39.838 38.487 -0.184 0.000 1.379 18 N HN -0.234 nan 8.380 nan 0.000 0.536 19 P HA -0.043 nan 4.420 nan 0.000 0.220 19 P C 1.174 178.252 177.300 -0.370 0.000 1.144 19 P CA 1.044 63.831 63.100 -0.522 0.000 0.800 19 P CB 0.135 31.101 31.700 -1.223 0.000 0.772 20 G N -0.586 108.036 108.800 -0.298 0.000 2.484 20 G HA2 0.003 3.963 3.960 -0.000 0.000 0.218 20 G HA3 0.003 3.963 3.960 -0.000 0.000 0.218 20 G C 0.349 175.181 174.900 -0.113 0.000 1.130 20 G CA 0.211 45.188 45.100 -0.204 0.000 0.784 20 G HN 0.238 nan 8.290 nan 0.000 0.543 21 V N 1.129 120.998 119.914 -0.075 0.000 2.378 21 V HA 0.420 4.540 4.120 -0.000 0.000 0.288 21 V C 0.863 177.023 176.094 0.110 0.000 1.016 21 V CA 0.187 62.500 62.300 0.022 0.000 0.840 21 V CB 1.353 33.192 31.823 0.026 0.000 0.994 21 V HN 0.294 nan 8.190 nan 0.000 0.431 22 T N 0.862 115.466 114.554 0.083 0.000 2.975 22 T HA 0.350 4.700 4.350 -0.000 0.000 0.257 22 T C 0.220 174.927 174.700 0.011 0.000 1.003 22 T CA 0.299 62.432 62.100 0.056 0.000 0.932 22 T CB 0.389 69.254 68.868 -0.004 0.000 1.087 22 T HN 0.725 nan 8.240 nan 0.000 0.512 23 Q N 0.129 119.986 119.800 0.094 0.000 2.756 23 Q HA 0.709 5.049 4.340 -0.000 0.000 0.295 23 Q C -2.473 173.651 176.000 0.207 0.000 0.903 23 Q CA -1.110 54.737 55.803 0.073 0.000 0.768 23 Q CB 0.789 29.508 28.738 -0.031 0.000 1.472 23 Q HN 0.076 nan 8.270 nan 0.000 0.416 24 L N 2.529 123.905 121.223 0.255 0.000 2.528 24 L HA 0.534 4.874 4.340 -0.000 0.000 0.267 24 L C -0.832 176.209 176.870 0.285 0.000 0.961 24 L CA -0.009 55.016 54.840 0.308 0.000 0.866 24 L CB 1.418 43.784 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 54.001 53.050 0.176 0.000 0.786 25 N CB -0.670 37.919 38.487 0.169 0.000 1.137 25 N HN 0.674 nan 8.380 nan 0.000 0.566 26 R N 1.163 121.609 120.500 -0.089 0.000 2.438 26 R HA 0.378 4.718 4.340 -0.000 0.000 0.287 26 R C 0.725 176.844 176.300 -0.302 0.000 1.077 26 R CA -0.364 55.391 56.100 -0.576 0.000 1.034 26 R CB 0.571 30.545 30.300 -0.543 0.000 0.993 26 R HN 0.114 nan 8.270 nan 0.000 0.459 27 L N 2.518 123.552 121.223 -0.315 0.000 2.470 27 L HA 0.317 4.657 4.340 -0.000 0.000 0.243 27 L C 0.656 177.480 176.870 -0.076 0.000 1.227 27 L CA -0.601 54.170 54.840 -0.115 0.000 0.824 27 L CB 0.388 42.419 42.059 -0.045 0.000 1.175 27 L HN 0.742 nan 8.230 nan 0.000 0.503 28 A N 0.364 123.189 122.820 0.008 0.000 2.322 28 A HA 0.608 4.928 4.320 -0.000 0.000 0.269 28 A C 0.141 177.790 177.584 0.109 0.000 1.094 28 A CA -0.221 51.839 52.037 0.038 0.000 0.807 28 A CB 0.521 19.560 19.000 0.066 0.000 1.047 28 A HN 0.754 nan 8.150 nan 0.000 0.487 29 A N 1.188 124.022 122.820 0.023 0.000 2.406 29 A HA 0.652 4.972 4.320 -0.000 0.000 0.243 29 A C 0.156 177.740 177.584 0.001 0.000 1.082 29 A CA 0.740 52.731 52.037 -0.076 0.000 0.786 29 A CB -0.176 18.758 19.000 -0.111 0.000 1.029 29 A HN 2.073 nan 8.150 nan 0.000 0.495 30 H N -2.581 116.421 119.070 -0.114 0.000 2.883 30 H HA 0.541 5.097 4.556 -0.000 0.000 0.266 30 H C -3.423 171.699 175.328 -0.344 0.000 1.446 30 H CA -1.441 54.505 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 0.220 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 -1.569 61.307 63.100 -0.373 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 -0.788 176.494 177.300 -0.031 0.000 1.199 32 P CA 0.878 63.869 63.100 -0.180 0.000 0.763 32 P CB -0.204 31.483 31.700 -0.022 0.000 0.790 33 F N 1.422 121.493 119.950 0.202 0.000 2.507 33 F HA 0.598 5.125 4.527 -0.000 0.000 0.327 33 F C 1.202 176.971 175.800 -0.053 0.000 1.068 33 F CA -0.945 57.117 58.000 0.104 0.000 0.965 33 F CB 1.922 40.943 39.000 0.035 0.000 1.192 33 F HN 0.236 nan 8.300 nan 0.000 0.476 34 A N 0.249 123.079 122.820 0.015 0.000 2.263 34 A HA 0.268 4.588 4.320 -0.000 0.000 0.200 34 A C 0.821 178.173 177.584 -0.387 0.000 1.428 34 A CA 0.540 52.314 52.037 -0.438 0.000 1.050 34 A CB -0.069 18.082 19.000 -1.414 0.000 1.226 34 A HN 0.778 nan 8.150 nan 0.000 0.501 35 S N -0.324 115.272 115.700 -0.174 0.000 3.749 35 S HA -0.134 4.336 4.470 -0.000 0.000 0.348 35 S C -0.032 174.538 174.600 -0.049 0.000 1.045 35 S CA 0.381 58.512 58.200 -0.116 0.000 1.051 35 S CB -1.755 61.341 63.200 -0.173 0.000 0.898 35 S HN 0.504 nan 8.310 nan 0.000 0.472 36 W N 0.624 121.928 121.300 0.007 0.000 2.187 36 W HA 0.131 4.791 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 -0.193 57.160 57.345 0.013 0.000 1.271 36 W CB 0.126 29.593 29.460 0.011 0.000 1.170 36 W HN 0.260 nan 8.180 nan 0.000 0.583 37 R N 1.433 122.089 120.500 0.260 0.000 2.509 37 R HA 0.075 4.415 4.340 -0.000 0.000 0.300 37 R C -0.062 176.320 176.300 0.138 0.000 0.985 37 R CA -0.135 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 -0.253 118.551 118.700 0.173 0.000 2.336 38 N HA 0.004 4.744 4.740 -0.000 0.000 0.290 38 N C 0.510 176.020 175.510 -0.000 0.000 1.058 38 N CA 0.231 53.330 53.050 0.081 0.000 0.865 38 N CB 2.023 40.552 38.487 0.071 0.000 1.581 38 N HN -0.087 nan 8.380 nan 0.000 0.480 39 S N 3.018 118.689 115.700 -0.047 0.000 2.365 39 S HA -0.186 4.284 4.470 -0.000 0.000 0.221 39 S C 1.256 175.707 174.600 -0.248 0.000 1.037 39 S CA 1.339 59.461 58.200 -0.129 0.000 1.060 39 S CB -0.391 62.761 63.200 -0.078 0.000 0.974 39 S HN 0.645 nan 8.310 nan 0.000 0.427 40 E N 1.329 121.412 120.200 -0.196 0.000 2.108 40 E HA -0.193 4.157 4.350 -0.000 0.000 0.203 40 E C 2.163 178.589 176.600 -0.289 0.000 1.022 40 E CA 1.772 58.026 56.400 -0.243 0.000 0.823 40 E CB -0.641 28.968 29.700 -0.151 0.000 0.744 40 E HN 0.778 nan 8.360 nan 0.000 0.456 41 E N 0.167 120.227 120.200 -0.233 0.000 2.023 41 E HA -0.186 4.164 4.350 -0.000 0.000 0.196 41 E C 2.087 178.240 176.600 -0.744 0.000 1.003 41 E CA 1.156 57.416 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 1.621 123.581 122.820 -1.433 0.000 1.917 42 A HA -0.279 4.041 4.320 -0.000 0.000 0.219 42 A C 2.125 179.040 177.584 -1.115 0.000 1.182 42 A CA 2.019 52.652 52.037 -2.340 0.000 0.633 42 A CB -0.643 17.509 19.000 -1.413 0.000 0.819 42 A HN 0.149 nan 8.150 nan 0.000 0.448 43 R N -0.195 119.886 120.500 -0.698 0.000 2.091 43 R HA -0.132 4.208 4.340 -0.000 0.000 0.238 43 R C 1.553 177.600 176.300 -0.422 0.000 1.136 43 R CA 2.088 57.862 56.100 -0.544 0.000 0.959 43 R CB -0.483 29.441 30.300 -0.627 0.000 0.856 43 R HN 0.587 nan 8.270 nan 0.000 0.437 44 T N -2.204 112.135 114.554 -0.358 0.000 3.244 44 T HA 0.106 4.456 4.350 -0.000 0.000 0.254 44 T C -0.003 174.630 174.700 -0.112 0.000 1.024 44 T CA 0.153 62.130 62.100 -0.206 0.000 0.920 44 T CB 0.140 68.912 68.868 -0.159 0.000 1.042 44 T HN 0.308 nan 8.240 nan 0.000 0.572 45 D N 1.657 121.959 120.400 -0.164 0.000 2.686 45 D HA -0.164 4.476 4.640 -0.000 0.000 0.235 45 D C 0.465 176.901 176.300 0.227 0.000 1.160 45 D CA 0.418 54.461 54.000 0.071 0.000 0.645 45 D CB -0.452 40.416 40.800 0.112 0.000 1.039 45 D HN 0.437 nan 8.370 nan 0.000 0.423 46 R N -0.244 120.407 120.500 0.252 0.000 2.811 46 R HA 0.565 4.905 4.340 -0.000 0.000 0.237 46 R C -2.001 174.561 176.300 0.437 0.000 1.231 46 R CA -0.840 55.437 56.100 0.294 0.000 1.070 46 R CB -0.749 29.689 30.300 0.230 0.000 1.126 46 R HN 0.173 nan 8.270 nan 0.000 0.540 47 P HA 0.198 nan 4.420 nan 0.000 0.304 47 P C -1.005 176.341 177.300 0.076 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 1.954 117.553 115.700 -0.169 0.000 2.554 48 S HA 0.139 4.609 4.470 -0.000 0.000 0.278 48 S C 1.094 175.657 174.600 -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 2.736 122.554 119.800 0.030 0.000 2.425 49 Q HA 0.011 4.351 4.340 -0.000 0.000 0.204 49 Q C 0.792 176.941 176.000 0.248 0.000 0.933 49 Q CA 0.315 56.197 55.803 0.132 0.000 0.939 49 Q CB -0.325 28.504 28.738 0.152 0.000 1.044 49 Q HN 0.861 nan 8.270 nan 0.000 0.513 50 Q N 0.434 120.301 119.800 0.111 0.000 2.444 50 Q HA 0.166 4.506 4.340 -0.000 0.000 0.206 50 Q C -0.018 176.039 176.000 0.094 0.000 0.948 50 Q CA 0.039 55.890 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 1.240 122.529 121.223 0.110 0.000 2.325 51 L HA 0.472 4.812 4.340 -0.000 0.000 0.281 51 L C -1.056 175.900 176.870 0.144 0.000 1.004 51 L CA -0.465 54.430 54.840 0.091 0.000 0.823 51 L CB 1.444 43.481 42.059 -0.036 0.000 1.236 51 L HN -0.082 nan 8.230 nan 0.000 0.415 52 R N 2.644 123.247 120.500 0.172 0.000 2.575 52 R HA 0.443 4.783 4.340 -0.000 0.000 0.293 52 R C -1.014 175.320 176.300 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 0.120 0.000 1.184 52 R HN 0.710 nan 8.270 nan 0.000 0.445 53 S N 3.234 118.960 115.700 0.042 0.000 2.562 53 S HA 0.303 4.773 4.470 -0.000 0.000 0.275 53 S C 0.870 175.495 174.600 0.042 0.000 1.281 53 S CA -0.511 57.713 58.200 0.040 0.000 1.045 53 S CB 0.582 63.814 63.200 0.053 0.000 0.962 53 S HN 0.584 nan 8.310 nan 0.000 0.503 54 L N 3.412 124.677 121.223 0.071 0.000 2.857 54 L HA 0.288 4.628 4.340 -0.000 0.000 0.249 54 L C 0.030 177.120 176.870 0.366 0.000 1.172 54 L CA -0.321 54.600 54.840 0.134 0.000 0.980 54 L CB -0.462 41.658 42.059 0.102 0.000 1.299 54 L HN 0.530 nan 8.230 nan 0.000 0.535 55 N N 1.655 120.492 118.700 0.229 0.000 2.518 55 N HA 0.492 5.232 4.740 -0.000 0.000 0.266 55 N C 0.657 176.325 175.510 0.264 0.000 1.196 55 N CA 0.737 53.924 53.050 0.228 0.000 0.947 55 N CB 1.773 40.316 38.487 0.093 0.000 1.098 55 N HN 0.296 nan 8.380 nan 0.000 0.450 56 G N 0.539 109.530 108.800 0.318 0.000 2.347 56 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.224 56 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.224 56 G C -1.419 173.735 174.900 0.423 0.000 1.318 56 G CA -0.792 44.477 45.100 0.283 0.000 1.016 56 G HN 0.459 nan 8.290 nan 0.000 0.469 57 E N -0.320 120.075 120.200 0.325 0.000 2.316 57 E HA 0.496 4.846 4.350 -0.000 0.000 0.275 57 E C -0.946 175.917 176.600 0.438 0.000 1.029 57 E CA 0.059 56.651 56.400 0.320 0.000 0.871 57 E CB 0.662 30.464 29.700 0.170 0.000 1.022 57 E HN 0.384 nan 8.360 nan 0.000 0.418 58 W N 1.584 122.959 121.300 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 0.948 30.553 29.460 0.241 0.000 1.487 58 W HN 0.259 nan 8.180 nan 0.000 0.592 59 R N 1.524 122.290 120.500 0.442 0.000 2.445 59 R HA 0.591 4.931 4.340 -0.000 0.000 0.308 59 R C -1.536 174.949 176.300 0.307 0.000 0.961 59 R CA -0.801 55.482 56.100 0.305 0.000 0.862 59 R CB 1.964 32.388 30.300 0.208 0.000 1.144 59 R HN 0.345 nan 8.270 nan 0.000 0.447 60 F N 1.375 121.320 119.950 -0.007 0.000 2.546 60 F HA 0.725 5.252 4.527 -0.000 0.000 0.320 60 F C -1.288 174.376 175.800 -0.226 0.000 1.076 60 F CA -0.682 57.172 58.000 -0.243 0.000 0.928 60 F CB 2.043 40.753 39.000 -0.483 0.000 1.189 60 F HN 0.639 nan 8.300 nan 0.000 0.465 61 A N 4.282 126.171 122.820 -1.552 0.000 2.517 61 A HA 0.520 4.840 4.320 -0.000 0.000 0.297 61 A C -2.441 174.300 177.584 -1.405 0.000 1.050 61 A CA -0.521 50.837 52.037 -1.133 0.000 0.694 61 A CB 0.470 19.201 19.000 -0.448 0.000 1.277 61 A HN 0.977 nan 8.150 nan 0.000 0.400 62 W N 2.502 123.065 121.300 -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 -0.555 56.264 57.345 -0.876 0.000 1.223 62 W CB 1.321 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 -1.006 0.000 2.591 63 F HA 0.329 4.856 4.527 -0.000 0.000 0.309 63 F C -1.417 173.559 175.800 -1.374 0.000 1.098 63 F CA -2.566 54.969 58.000 -0.775 0.000 0.937 63 F CB 1.546 40.238 39.000 -0.513 0.000 1.250 63 F HN 0.186 nan 8.300 nan 0.000 0.447 64 P HA 0.021 nan 4.420 nan 0.000 0.225 64 P C -0.180 177.022 177.300 -0.162 0.000 1.148 64 P CA 1.143 64.068 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 -1.280 121.451 122.820 -0.150 0.000 2.605 65 A HA 0.528 4.848 4.320 -0.000 0.000 0.294 65 A C -2.402 175.082 177.584 -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 19.600 19.000 0.001 0.000 1.278 65 A HN -0.281 nan 8.150 nan 0.000 0.410 66 P HA -0.161 nan 4.420 nan 0.000 0.215 66 P C 1.021 178.207 177.300 -0.189 0.000 1.157 66 P CA 1.864 64.808 63.100 -0.259 0.000 0.863 66 P CB -0.016 31.492 31.700 -0.320 0.000 0.787 67 E N 0.744 120.901 120.200 -0.072 0.000 2.171 67 E HA -0.177 4.173 4.350 -0.000 0.000 0.197 67 E C 1.819 178.384 176.600 -0.058 0.000 0.997 67 E CA 1.576 57.961 56.400 -0.025 0.000 0.810 67 E CB -1.228 28.495 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 18.855 19.000 0.124 0.000 0.794 68 A HN 0.056 nan 8.150 nan 0.000 0.481 69 V N 1.019 120.694 119.914 -0.399 0.000 2.834 69 V HA 0.289 4.409 4.120 -0.000 0.000 0.301 69 V C -2.373 173.558 176.094 -0.272 0.000 1.066 69 V CA -1.361 60.550 62.300 -0.650 0.000 1.052 69 V CB 1.049 32.306 31.823 -0.944 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 62.478 63.100 -0.041 0.000 0.915 70 P CB 1.793 33.512 31.700 0.031 0.000 1.013 71 E N 1.445 121.630 120.200 -0.026 0.000 2.187 71 E HA -0.211 4.139 4.350 -0.000 0.000 0.199 71 E C 1.514 178.080 176.600 -0.056 0.000 1.004 71 E CA 2.138 58.507 56.400 -0.053 0.000 0.813 71 E CB -0.215 29.456 29.700 -0.049 0.000 0.736 71 E HN 0.387 nan 8.360 nan 0.000 0.468 72 S N -0.103 115.591 115.700 -0.010 0.000 2.387 72 S HA -0.242 4.228 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 1.200 59.395 58.200 -0.007 0.000 1.014 72 S CB -0.784 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 2.642 123.858 121.300 -0.140 0.000 2.292 73 W HA -0.187 4.473 4.660 -0.000 0.000 0.304 73 W C 1.639 178.047 176.519 -0.186 0.000 1.228 73 W CA 1.130 58.382 57.345 -0.156 0.000 1.241 73 W CB -0.684 28.650 29.460 -0.210 0.000 1.142 73 W HN 0.248 nan 8.180 nan 0.000 0.520 74 L N 0.039 120.971 121.223 -0.486 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 -0.457 0.000 1.083 74 L CA 1.535 55.961 54.840 -0.689 0.000 0.752 74 L CB -0.714 41.013 42.059 -0.553 0.000 0.899 74 L HN -0.049 nan 8.230 nan 0.000 0.433 75 E N -1.247 118.786 120.200 -0.279 0.000 2.079 75 E HA 0.069 4.419 4.350 -0.000 0.000 0.191 75 E C 0.352 176.864 176.600 -0.147 0.000 0.961 75 E CA 0.448 56.744 56.400 -0.174 0.000 0.823 75 E CB 0.110 29.747 29.700 -0.105 0.000 0.789 75 E HN 0.317 nan 8.360 nan 0.000 0.459 76 C N 1.918 121.148 119.300 -0.116 0.000 2.507 76 C HA 0.361 4.821 4.460 -0.000 0.000 0.319 76 C C 0.195 175.179 174.990 -0.009 0.000 1.208 76 C CA -1.272 57.712 59.018 -0.057 0.000 1.619 76 C CB 1.566 29.294 27.740 -0.019 0.000 2.230 76 C HN 0.243 nan 8.230 nan 0.000 0.492 77 D N 1.275 121.684 120.400 0.016 0.000 2.378 77 D HA 0.217 4.857 4.640 -0.000 0.000 0.238 77 D C -0.125 176.250 176.300 0.125 0.000 1.180 77 D CA 0.443 54.501 54.000 0.096 0.000 0.895 77 D CB 0.672 41.515 40.800 0.072 0.000 1.192 77 D HN 0.358 nan 8.370 nan 0.000 0.438 78 L N 2.463 123.787 121.223 0.168 0.000 2.416 78 L HA 0.217 4.557 4.340 -0.000 0.000 0.262 78 L C -1.198 175.713 176.870 0.070 0.000 1.093 78 L CA -1.547 53.365 54.840 0.119 0.000 0.801 78 L CB 0.634 42.768 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 0.586 177.899 177.300 0.021 0.000 1.156 79 P CA 0.894 64.013 63.100 0.031 0.000 0.855 79 P CB 0.226 31.940 31.700 0.023 0.000 0.786 80 E N 0.123 120.328 120.200 0.009 0.000 2.494 80 E HA 0.245 4.595 4.350 -0.000 0.000 0.193 80 E C 0.761 177.352 176.600 -0.015 0.000 1.074 80 E CA -0.090 56.303 56.400 -0.013 0.000 0.867 80 E CB -0.756 28.919 29.700 -0.043 0.000 0.924 80 E HN 0.177 nan 8.360 nan 0.000 0.502 81 A N 1.262 124.087 122.820 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 -0.235 51.810 52.037 0.013 0.000 0.777 81 A CB 0.372 19.407 19.000 0.059 0.000 1.013 81 A HN 0.052 nan 8.150 nan 0.000 0.493 82 D N 0.206 120.659 120.400 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 -0.068 54.012 54.000 0.132 0.000 0.961 82 D CB 1.634 42.568 40.800 0.223 0.000 1.183 82 D HN 0.428 nan 8.370 nan 0.000 0.502 83 T N 0.911 115.538 114.554 0.122 0.000 2.767 83 T HA 0.449 4.799 4.350 -0.000 0.000 0.284 83 T C -0.089 174.683 174.700 0.119 0.000 0.973 83 T CA -0.425 61.754 62.100 0.131 0.000 0.996 83 T CB 1.043 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 3.420 123.433 119.914 0.164 0.000 3.040 84 V HA 0.540 4.660 4.120 -0.000 0.000 0.312 84 V C -0.319 175.878 176.094 0.172 0.000 1.115 84 V CA -0.923 61.443 62.300 0.110 0.000 0.998 84 V CB 2.435 34.308 31.823 0.083 0.000 1.042 84 V HN 0.633 nan 8.190 nan 0.000 0.433 85 V N 2.373 122.359 119.914 0.121 0.000 2.481 85 V HA 0.542 4.662 4.120 -0.000 0.000 0.286 85 V C -0.213 175.930 176.094 0.081 0.000 1.042 85 V CA -0.427 61.949 62.300 0.127 0.000 0.928 85 V CB 1.565 33.436 31.823 0.081 0.000 0.986 85 V HN 0.556 nan 8.190 nan 0.000 0.462 86 V N 6.779 126.687 119.914 -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 -1.735 60.442 62.300 -0.205 0.000 0.888 86 V CB 2.690 34.063 31.823 -0.749 0.000 0.995 86 V HN 0.786 nan 8.190 nan 0.000 0.429 87 P HA 0.580 nan 4.420 nan 0.000 0.278 87 P C -0.969 176.283 177.300 -0.079 0.000 1.258 87 P CA -0.284 62.725 63.100 -0.152 0.000 0.811 87 P CB 1.521 33.137 31.700 -0.141 0.000 1.063 88 S N -0.350 115.324 115.700 -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 -0.051 0.000 1.130 88 S CA -1.013 57.158 58.200 -0.048 0.000 0.817 88 S CB 0.125 63.313 63.200 -0.020 0.000 1.107 88 S HN 0.333 nan 8.310 nan 0.000 0.471 89 N N 1.139 119.729 118.700 -0.183 0.000 2.444 89 N HA 0.424 5.164 4.740 -0.000 0.000 0.262 89 N C 0.526 175.895 175.510 -0.234 0.000 0.974 89 N CA -0.755 52.160 53.050 -0.225 0.000 0.933 89 N CB 0.714 39.026 38.487 -0.293 0.000 1.137 89 N HN 0.817 nan 8.380 nan 0.000 0.498 90 W N 3.064 124.239 121.300 -0.207 0.000 2.350 90 W HA -0.169 4.491 4.660 -0.000 0.000 0.289 90 W C 0.946 177.457 176.519 -0.013 0.000 1.215 90 W CA 1.140 58.369 57.345 -0.192 0.000 1.236 90 W CB -0.439 28.826 29.460 -0.325 0.000 1.130 90 W HN 0.498 nan 8.180 nan 0.000 0.541 91 Q N 0.246 120.058 119.800 0.020 0.000 2.291 91 Q HA -0.121 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 1.672 57.503 55.803 0.046 0.000 0.875 91 Q CB -0.629 28.009 28.738 -0.167 0.000 0.927 91 Q HN 0.241 nan 8.270 nan 0.000 0.450 92 M N -0.890 118.615 119.600 -0.158 0.000 2.630 92 M HA -0.037 4.443 4.480 -0.000 0.000 0.254 92 M C 0.413 176.685 176.300 -0.045 0.000 1.092 92 M CA 1.243 56.429 55.300 -0.189 0.000 1.087 92 M CB -0.530 31.888 32.600 -0.303 0.000 1.453 92 M HN 0.336 nan 8.290 nan 0.000 0.509 93 H N -1.360 117.783 119.070 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 30.429 29.762 0.332 0.000 1.575 93 H HN 0.502 nan 8.280 nan 0.000 0.547 94 G N 0.624 109.464 108.800 0.067 0.000 2.179 94 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.260 94 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.260 94 G C 0.520 175.330 174.900 -0.150 0.000 0.977 94 G CA 0.607 45.663 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 0.061 0.000 2.207 95 Y HA 0.196 4.746 4.550 -0.000 0.000 0.287 95 Y C 1.722 177.445 175.900 -0.296 0.000 1.156 95 Y CA 1.640 59.648 58.100 -0.153 0.000 1.182 95 Y CB -0.073 38.307 38.460 -0.134 0.000 0.979 95 Y HN 0.664 nan 8.280 nan 0.000 0.521 96 D N -2.429 118.119 120.400 0.247 0.000 2.768 96 D HA 0.512 5.152 4.640 -0.000 0.000 0.327 96 D C -1.157 175.279 176.300 0.227 0.000 1.302 96 D CA -0.768 53.377 54.000 0.242 0.000 0.897 96 D CB 0.690 41.797 40.800 0.512 0.000 1.420 96 D HN 0.002 nan 8.370 nan 0.000 0.494 97 A N -0.347 122.605 122.820 0.220 0.000 2.316 97 A HA 0.703 5.023 4.320 -0.000 0.000 0.284 97 A C -2.413 175.226 177.584 0.091 0.000 1.115 97 A CA -1.134 51.004 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 0.488 nan 8.150 nan 0.000 0.489 98 P HA 0.505 nan 4.420 nan 0.000 0.288 98 P C -0.856 176.578 177.300 0.224 0.000 1.267 98 P CA -0.009 63.030 63.100 -0.101 0.000 0.815 98 P CB 0.885 32.236 31.700 -0.581 0.000 0.989 99 I N 2.237 123.036 120.570 0.380 0.000 2.493 99 I HA 0.345 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 1.805 39.959 38.000 0.256 0.000 1.310 99 I HN 0.311 nan 8.210 nan 0.000 0.445 100 Y N 5.326 125.607 120.300 -0.032 0.000 2.686 100 Y HA 0.430 4.980 4.550 -0.000 0.000 0.331 100 Y C -0.385 175.362 175.900 -0.254 0.000 0.996 100 Y CA -0.522 57.299 58.100 -0.465 0.000 1.293 100 Y CB 0.843 38.414 38.460 -1.482 0.000 1.092 100 Y HN 0.675 nan 8.280 nan 0.000 0.524 101 T N 0.966 114.985 114.554 -0.893 0.000 2.930 101 T HA 0.334 4.684 4.350 -0.000 0.000 0.290 101 T C 0.202 174.369 174.700 -0.888 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 -0.211 118.067 118.700 -0.703 0.000 2.622 102 N HA 0.021 4.761 4.740 -0.000 0.000 0.213 102 N C 1.170 176.382 175.510 -0.497 0.000 1.037 102 N CA 0.172 52.917 53.050 -0.509 0.000 0.999 102 N CB 0.416 38.619 38.487 -0.474 0.000 1.342 102 N HN 0.334 nan 8.380 nan 0.000 0.465 103 V N 0.914 120.471 119.914 -0.595 0.000 2.521 103 V HA 0.087 4.207 4.120 -0.000 0.000 0.239 103 V C 0.612 176.369 176.094 -0.563 0.000 1.053 103 V CA 0.768 62.639 62.300 -0.715 0.000 1.073 103 V CB -0.091 31.234 31.823 -0.829 0.000 0.746 103 V HN 0.280 nan 8.190 nan 0.000 0.476 104 T N 1.145 115.440 114.554 -0.432 0.000 2.871 104 T HA 0.106 4.456 4.350 -0.000 0.000 0.296 104 T C -0.404 174.134 174.700 -0.271 0.000 0.998 104 T CA 0.369 62.291 62.100 -0.297 0.000 1.162 104 T CB -0.301 68.433 68.868 -0.224 0.000 0.947 104 T HN 0.189 nan 8.240 nan 0.000 0.536 105 Y N 4.837 125.026 120.300 -0.185 0.000 2.597 105 Y HA 0.112 4.662 4.550 -0.000 0.000 0.336 105 Y C -0.939 174.819 175.900 -0.236 0.000 1.216 105 Y CA -1.828 56.149 58.100 -0.204 0.000 1.463 105 Y CB 0.427 38.763 38.460 -0.207 0.000 1.303 105 Y HN 0.556 nan 8.280 nan 0.000 0.576 106 P HA -0.123 nan 4.420 nan 0.000 0.220 106 P C 0.128 177.233 177.300 -0.326 0.000 1.148 106 P CA 1.405 64.385 63.100 -0.201 0.000 0.803 106 P CB 0.194 31.756 31.700 -0.230 0.000 0.782 107 I N -4.840 115.475 120.570 -0.425 0.000 3.237 107 I HA 0.462 4.632 4.170 -0.000 0.000 0.308 107 I C -0.585 175.391 176.117 -0.236 0.000 1.093 107 I CA -1.055 59.980 61.300 -0.442 0.000 1.001 107 I CB 1.502 39.070 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 0.142 174.820 174.700 -0.036 0.000 1.031 108 T CA -0.321 61.741 62.100 -0.063 0.000 1.127 108 T CB 0.988 69.850 68.868 -0.010 0.000 0.952 108 T HN 0.375 nan 8.240 nan 0.000 0.540 109 V N 4.640 124.558 119.914 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 -0.388 31.458 31.823 0.038 0.000 1.111 109 V HN 0.845 nan 8.190 nan 0.000 0.490 110 N N 5.623 124.464 118.700 0.236 0.000 2.679 110 N HA 0.241 4.981 4.740 -0.000 0.000 0.240 110 N C -2.993 172.582 175.510 0.108 0.000 1.537 110 N CA -1.243 51.916 53.050 0.183 0.000 0.793 110 N CB 1.477 40.119 38.487 0.259 0.000 1.391 110 N HN 0.263 nan 8.380 nan 0.000 0.524 111 P HA 0.182 nan 4.420 nan 0.000 0.266 111 P C -2.376 174.600 177.300 -0.541 0.000 1.195 111 P CA -0.714 61.886 63.100 -0.833 0.000 0.768 111 P CB 0.366 31.391 31.700 -1.125 0.000 0.838 112 P HA 0.277 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 -0.355 62.460 63.100 -0.475 0.000 1.130 112 P CB -0.210 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 0.283 4.810 4.527 -0.000 0.000 0.343 113 F C 1.129 177.113 175.800 0.306 0.000 1.104 113 F CA -0.962 57.166 58.000 0.214 0.000 1.161 113 F CB 1.179 40.251 39.000 0.120 0.000 1.146 113 F HN -0.263 nan 8.300 nan 0.000 0.522 114 V N 3.695 123.915 119.914 0.510 0.000 2.966 114 V HA 0.417 4.537 4.120 -0.000 0.000 0.317 114 V C -2.011 174.280 176.094 0.330 0.000 1.070 114 V CA -1.889 60.644 62.300 0.388 0.000 1.008 114 V CB 1.880 34.026 31.823 0.539 0.000 1.070 114 V HN 0.523 nan 8.190 nan 0.000 0.457 115 P HA 0.168 nan 4.420 nan 0.000 0.285 115 P C 0.807 178.271 177.300 0.274 0.000 1.259 115 P CA -0.049 63.177 63.100 0.209 0.000 0.794 115 P CB 0.912 32.694 31.700 0.136 0.000 0.940 116 T N 0.242 114.919 114.554 0.206 0.000 2.721 116 T HA -0.229 4.121 4.350 -0.000 0.000 0.268 116 T C 0.373 175.187 174.700 0.190 0.000 1.038 116 T CA 1.414 63.630 62.100 0.193 0.000 1.145 116 T CB -0.815 68.130 68.868 0.128 0.000 0.858 116 T HN 0.385 nan 8.240 nan 0.000 0.459 117 E N 2.720 123.037 120.200 0.194 0.000 1.941 117 E HA 0.447 4.797 4.350 -0.000 0.000 0.275 117 E C -0.645 176.107 176.600 0.254 0.000 1.113 117 E CA -0.301 56.213 56.400 0.190 0.000 0.878 117 E CB 0.319 30.136 29.700 0.195 0.000 1.070 117 E HN 0.496 nan 8.360 nan 0.000 0.399 118 N N 3.355 122.159 118.700 0.174 0.000 2.531 118 N HA 0.291 5.031 4.740 -0.000 0.000 0.268 118 N C -2.813 172.667 175.510 -0.050 0.000 1.023 118 N CA -2.718 50.430 53.050 0.164 0.000 0.896 118 N CB 1.117 39.748 38.487 0.240 0.000 1.233 118 N HN -0.028 nan 8.380 nan 0.000 0.512 119 P HA -0.002 nan 4.420 nan 0.000 0.256 119 P C -0.757 176.389 177.300 -0.257 0.000 1.173 119 P CA 0.547 63.512 63.100 -0.225 0.000 0.768 119 P CB 0.157 31.975 31.700 0.197 0.000 0.758 120 T N 2.669 116.876 114.554 -0.578 0.000 2.824 120 T HA 0.602 4.952 4.350 -0.000 0.000 0.280 120 T C 0.459 174.733 174.700 -0.710 0.000 0.995 120 T CA -0.544 61.283 62.100 -0.455 0.000 1.009 120 T CB 1.686 70.302 68.868 -0.420 0.000 0.955 120 T HN 0.321 nan 8.240 nan 0.000 0.452 121 G N 0.901 109.427 108.800 -0.457 0.000 2.533 121 G HA2 0.484 4.444 3.960 -0.000 0.000 0.310 121 G HA3 0.484 4.444 3.960 -0.000 0.000 0.310 121 G C -0.335 174.498 174.900 -0.110 0.000 1.266 121 G CA -0.456 44.387 45.100 -0.429 0.000 0.967 121 G HN 0.905 nan 8.290 nan 0.000 0.493 122 C N 3.175 122.133 119.300 -0.571 0.000 2.281 122 C HA 0.478 4.938 4.460 -0.000 0.000 0.336 122 C C -0.488 174.472 174.990 -0.050 0.000 1.217 122 C CA -1.049 57.636 59.018 -0.554 0.000 1.730 122 C CB -1.754 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 1.748 122.252 120.300 0.342 0.000 2.387 123 Y HA 0.625 5.175 4.550 -0.000 0.000 0.330 123 Y C 0.762 177.113 175.900 0.752 0.000 1.133 123 Y CA -0.459 57.986 58.100 0.576 0.000 1.152 123 Y CB 1.369 40.141 38.460 0.519 0.000 1.215 123 Y HN 0.695 nan 8.280 nan 0.000 0.466 124 S N 2.851 119.041 115.700 0.815 0.000 2.541 124 S HA 0.809 5.279 4.470 -0.000 0.000 0.271 124 S C -1.593 173.097 174.600 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 65.636 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 -0.013 54.605 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 0.754 5.104 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 69.406 68.868 -0.039 0.000 0.930 126 T HN 0.469 nan 8.240 nan 0.000 0.447 127 F N 0.711 120.581 119.950 -0.134 0.000 2.711 127 F HA 0.695 5.222 4.527 -0.000 0.000 0.313 127 F C -0.985 174.757 175.800 -0.096 0.000 1.141 127 F CA -1.498 56.429 58.000 -0.122 0.000 0.941 127 F CB 1.326 40.244 39.000 -0.137 0.000 1.349 127 F HN 0.265 nan 8.300 nan 0.000 0.464 128 N N 0.146 118.797 118.700 -0.082 0.000 2.443 128 N HA 0.707 5.447 4.740 -0.000 0.000 0.295 128 N C -1.671 173.788 175.510 -0.086 0.000 1.076 128 N CA -0.592 52.366 53.050 -0.154 0.000 0.919 128 N CB 2.158 40.586 38.487 -0.099 0.000 1.176 128 N HN 0.582 nan 8.380 nan 0.000 0.487 129 V N 1.358 121.180 119.914 -0.153 0.000 2.540 129 V HA 0.266 4.386 4.120 -0.000 0.000 0.302 129 V C -0.211 175.764 176.094 -0.199 0.000 1.035 129 V CA -1.015 61.195 62.300 -0.149 0.000 0.873 129 V CB 1.599 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 2.914 123.099 120.400 -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 -0.421 0.000 1.199 130 D HN 0.878 nan 8.370 nan 0.000 0.438 131 E N 1.072 121.236 120.200 -0.060 0.000 2.299 131 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 131 E C 1.645 178.282 176.600 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 0.392 116.126 115.700 0.057 0.000 2.387 132 S HA -0.223 4.247 4.470 -0.000 0.000 0.230 132 S C 1.540 176.238 174.600 0.164 0.000 1.035 132 S CA 1.054 59.318 58.200 0.106 0.000 1.014 132 S CB -0.868 62.400 63.200 0.113 0.000 0.836 132 S HN 0.523 nan 8.310 nan 0.000 0.466 133 W N 1.472 122.644 121.300 -0.213 0.000 2.402 133 W HA 0.281 4.941 4.660 -0.000 0.000 0.286 133 W C 2.226 178.690 176.519 -0.092 0.000 1.221 133 W CA -0.065 57.023 57.345 -0.427 0.000 1.257 133 W CB -0.855 28.362 29.460 -0.404 0.000 1.120 133 W HN 0.314 nan 8.180 nan 0.000 0.551 134 L N -0.277 121.076 121.223 0.216 0.000 2.291 134 L HA -0.182 4.158 4.340 -0.000 0.000 0.214 134 L C 2.293 179.238 176.870 0.124 0.000 1.120 134 L CA 0.971 55.908 54.840 0.162 0.000 0.799 134 L CB -0.376 41.748 42.059 0.107 0.000 0.925 134 L HN 0.044 nan 8.230 nan 0.000 0.446 135 Q N -0.328 119.539 119.800 0.113 0.000 1.922 135 Q HA -0.103 4.237 4.340 -0.000 0.000 0.201 135 Q C 0.890 176.946 176.000 0.094 0.000 0.979 135 Q CA 1.051 56.906 55.803 0.087 0.000 0.841 135 Q CB -0.007 28.776 28.738 0.073 0.000 0.903 135 Q HN 0.259 nan 8.270 nan 0.000 0.431 136 E N 0.329 120.601 120.200 0.119 0.000 2.264 136 E HA 0.438 4.788 4.350 -0.000 0.000 0.260 136 E C 0.337 177.035 176.600 0.164 0.000 0.961 136 E CA 0.007 56.472 56.400 0.110 0.000 0.834 136 E CB 1.038 30.786 29.700 0.080 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 -0.166 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 -0.642 118.910 119.800 -0.413 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 -0.236 0.000 1.058 138 Q CA -0.478 55.192 55.803 -0.222 0.000 0.802 138 Q CB 1.915 30.556 28.738 -0.162 0.000 1.303 138 Q HN 0.636 nan 8.270 nan 0.000 0.444 139 T N 4.643 119.208 114.554 0.019 0.000 2.809 139 T HA 0.522 4.872 4.350 -0.000 0.000 0.284 139 T C -0.911 173.862 174.700 0.123 0.000 0.992 139 T CA -0.642 61.528 62.100 0.116 0.000 0.957 139 T CB 0.705 69.772 68.868 0.331 0.000 0.942 139 T HN 0.651 nan 8.240 nan 0.000 0.439 140 R N 3.365 123.916 120.500 0.085 0.000 2.837 140 R HA 0.721 5.061 4.340 -0.000 0.000 0.271 140 R C -1.312 175.031 176.300 0.072 0.000 0.993 140 R CA -0.951 55.205 56.100 0.092 0.000 0.931 140 R CB 1.661 32.000 30.300 0.065 0.000 1.206 140 R HN 0.537 nan 8.270 nan 0.000 0.474 141 I N 2.717 123.319 120.570 0.053 0.000 2.607 141 I HA 0.467 4.637 4.170 -0.000 0.000 0.305 141 I C -0.994 175.043 176.117 -0.133 0.000 0.995 141 I CA -1.449 59.807 61.300 -0.073 0.000 1.148 141 I CB 1.508 39.431 38.000 -0.129 0.000 1.323 141 I HN 0.644 nan 8.210 nan 0.000 0.461 142 I N 6.591 126.974 120.570 -0.312 0.000 2.512 142 I HA 0.264 4.434 4.170 -0.000 0.000 0.287 142 I C -1.291 174.550 176.117 -0.461 0.000 1.069 142 I CA -0.368 60.765 61.300 -0.278 0.000 1.056 142 I CB 1.748 39.674 38.000 -0.124 0.000 1.229 142 I HN 0.354 nan 8.210 nan 0.000 0.429 143 F N 4.529 124.483 119.950 0.007 0.000 2.350 143 F HA 0.252 4.779 4.527 -0.000 0.000 0.365 143 F C 1.281 176.987 175.800 -0.156 0.000 1.122 143 F CA -0.449 57.489 58.000 -0.103 0.000 1.139 143 F CB 0.836 39.763 39.000 -0.122 0.000 1.220 143 F HN 0.487 nan 8.300 nan 0.000 0.499 144 D N 2.394 122.763 120.400 -0.051 0.000 2.264 144 D HA 0.051 4.691 4.640 -0.000 0.000 0.208 144 D C 0.947 177.103 176.300 -0.240 0.000 0.966 144 D CA 0.904 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 0.650 nan 8.370 nan 0.000 0.499 145 G N -0.699 107.883 108.800 -0.363 0.000 2.524 145 G HA2 0.409 4.369 3.960 -0.000 0.000 0.306 145 G HA3 0.409 4.369 3.960 -0.000 0.000 0.306 145 G C -1.580 172.872 174.900 -0.747 0.000 1.420 145 G CA -0.519 44.197 45.100 -0.640 0.000 1.086 145 G HN -0.057 nan 8.290 nan 0.000 0.591 146 V N 2.458 122.184 119.914 -0.313 0.000 2.524 146 V HA 0.560 4.680 4.120 -0.000 0.000 0.297 146 V C -0.761 175.385 176.094 0.086 0.000 1.035 146 V CA -1.128 61.036 62.300 -0.227 0.000 0.867 146 V CB 1.853 33.273 31.823 -0.672 0.000 1.004 146 V HN 0.783 nan 8.190 nan 0.000 0.426 147 N N 2.611 121.409 118.700 0.163 0.000 2.372 147 N HA 0.391 5.131 4.740 -0.000 0.000 0.285 147 N C 0.663 176.122 175.510 -0.085 0.000 1.008 147 N CA 0.158 53.236 53.050 0.045 0.000 0.880 147 N CB 2.421 40.849 38.487 -0.099 0.000 1.239 147 N HN 0.599 nan 8.380 nan 0.000 0.484 148 S N 2.428 118.104 115.700 -0.039 0.000 2.502 148 S HA 0.495 4.965 4.470 -0.000 0.000 0.228 148 S C 0.549 175.215 174.600 0.111 0.000 1.061 148 S CA 0.339 58.569 58.200 0.050 0.000 0.935 148 S CB 0.050 63.295 63.200 0.076 0.000 0.809 148 S HN 0.694 nan 8.310 nan 0.000 0.510 149 A N 0.743 123.642 122.820 0.132 0.000 2.485 149 A HA 0.867 5.187 4.320 -0.000 0.000 0.292 149 A C -1.034 176.707 177.584 0.261 0.000 1.147 149 A CA -0.974 51.134 52.037 0.118 0.000 0.750 149 A CB 1.094 20.185 19.000 0.150 0.000 1.331 149 A HN 1.234 nan 8.150 nan 0.000 0.419 150 F N -1.126 118.731 119.950 -0.154 0.000 2.746 150 F HA 0.595 5.122 4.527 -0.000 0.000 0.311 150 F C -1.467 174.372 175.800 0.065 0.000 1.135 150 F CA -0.814 57.184 58.000 -0.003 0.000 0.954 150 F CB 0.866 39.825 39.000 -0.069 0.000 1.276 150 F HN 0.643 nan 8.300 nan 0.000 0.440 151 H N 1.906 121.147 119.070 0.286 0.000 2.533 151 H HA 0.812 5.368 4.556 -0.000 0.000 0.343 151 H C -1.401 174.010 175.328 0.138 0.000 1.160 151 H CA -0.681 55.485 56.048 0.197 0.000 1.218 151 H CB 2.351 32.285 29.762 0.286 0.000 1.566 151 H HN 0.831 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 -1.864 174.678 176.870 -0.547 0.000 0.978 152 L CA -0.522 54.220 54.840 -0.164 0.000 0.822 152 L CB 1.851 43.757 42.059 -0.256 0.000 1.310 152 L HN 0.508 nan 8.230 nan 0.000 0.409 153 W N 4.180 125.444 121.300 -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 -0.780 56.496 57.345 -0.116 0.000 1.209 153 W CB 2.104 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 4.973 124.341 119.300 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 -0.387 58.679 59.018 0.081 0.000 1.341 154 C CB -0.416 27.292 27.740 -0.054 0.000 1.970 154 C HN 0.800 nan 8.230 nan 0.000 0.452 155 N N 3.725 122.488 118.700 0.105 0.000 2.725 155 N HA -0.182 4.558 4.740 -0.000 0.000 0.251 155 N C 0.999 176.564 175.510 0.092 0.000 1.031 155 N CA 2.105 55.196 53.050 0.068 0.000 0.720 155 N CB -1.302 37.227 38.487 0.070 0.000 0.930 155 N HN 1.932 nan 8.380 nan 0.000 0.543 156 G N -1.325 107.516 108.800 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 0.666 45.801 45.100 0.058 0.000 0.625 156 G HN 0.573 nan 8.290 nan 0.000 0.532 157 R N -0.856 119.871 120.500 0.379 0.000 2.312 157 R HA 0.455 4.795 4.340 -0.000 0.000 0.311 157 R C -0.067 176.534 176.300 0.501 0.000 1.004 157 R CA -0.880 55.522 56.100 0.503 0.000 0.902 157 R CB 0.670 31.298 30.300 0.547 0.000 1.073 157 R HN 0.258 nan 8.270 nan 0.000 0.457 158 W N 3.998 125.451 121.300 0.255 0.000 2.251 158 W HA 0.092 4.752 4.660 -0.000 0.000 0.327 158 W C -0.136 176.209 176.519 -0.290 0.000 1.361 158 W CA 0.061 57.150 57.345 -0.426 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 4.956 123.820 119.914 -1.750 0.000 2.948 159 V HA 0.578 4.698 4.120 -0.000 0.000 0.234 159 V C 0.941 175.928 176.094 -1.845 0.000 1.205 159 V CA 0.795 62.208 62.300 -1.478 0.000 1.234 159 V CB -0.275 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 -1.697 105.906 108.800 -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 44.140 45.100 -1.054 0.000 0.800 160 G HN -0.013 nan 8.290 nan 0.000 0.481 161 Y N -0.656 119.594 120.300 -0.084 0.000 2.588 161 Y HA 0.739 5.289 4.550 -0.000 0.000 0.343 161 Y C -0.043 175.726 175.900 -0.218 0.000 1.065 161 Y CA -0.258 57.680 58.100 -0.270 0.000 1.038 161 Y CB 2.332 40.728 38.460 -0.107 0.000 1.297 161 Y HN 1.192 nan 8.280 nan 0.000 0.467 162 G N 3.321 111.362 108.800 -1.265 0.000 2.742 162 G HA2 0.570 4.530 3.960 -0.000 0.000 0.296 162 G HA3 0.570 4.530 3.960 -0.000 0.000 0.296 162 G C -2.175 172.282 174.900 -0.738 0.000 1.436 162 G CA -0.905 43.729 45.100 -0.776 0.000 0.928 162 G HN 0.599 nan 8.290 nan 0.000 0.520 163 Q N -0.085 119.516 119.800 -0.332 0.000 2.496 163 Q HA 0.609 4.949 4.340 -0.000 0.000 0.286 163 Q C -1.360 174.636 176.000 -0.007 0.000 1.103 163 Q CA -0.842 54.880 55.803 -0.134 0.000 0.813 163 Q CB 2.782 31.483 28.738 -0.062 0.000 1.444 163 Q HN 0.653 nan 8.270 nan 0.000 0.443 164 D N -0.074 120.361 120.400 0.058 0.000 4.150 164 D HA -0.097 4.543 4.640 -0.000 0.000 0.231 164 D C -0.206 176.157 176.300 0.104 0.000 1.129 164 D CA 0.672 54.723 54.000 0.085 0.000 1.005 164 D CB -0.700 40.137 40.800 0.062 0.000 0.691 164 D HN 0.575 nan 8.370 nan 0.000 0.320 165 S N 3.079 118.855 115.700 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 59.016 58.200 0.172 0.000 0.957 165 S CB 0.128 63.417 63.200 0.148 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 30.029 30.300 0.167 0.000 1.078 166 R HN 0.377 nan 8.270 nan 0.000 0.516 167 L N 1.271 122.532 121.223 0.063 0.000 2.301 167 L HA 0.501 4.841 4.340 -0.000 0.000 0.264 167 L C -2.335 174.527 176.870 -0.014 0.000 1.016 167 L CA -2.438 52.411 54.840 0.016 0.000 0.821 167 L CB 1.963 44.023 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 -1.145 176.143 177.300 -0.021 0.000 1.215 168 P CA -0.222 62.849 63.100 -0.048 0.000 0.780 168 P CB 0.798 32.430 31.700 -0.113 0.000 0.898 169 S N 1.106 116.846 115.700 0.066 0.000 2.561 169 S HA 0.362 4.832 4.470 -0.000 0.000 0.303 169 S C -0.735 173.868 174.600 0.005 0.000 1.110 169 S CA -0.614 57.620 58.200 0.057 0.000 1.034 169 S CB 0.946 64.333 63.200 0.310 0.000 1.010 169 S HN 0.343 nan 8.310 nan 0.000 0.482 170 E N 1.904 121.928 120.200 -0.293 0.000 2.238 170 E HA 0.629 4.979 4.350 -0.000 0.000 0.267 170 E C -1.505 174.797 176.600 -0.496 0.000 0.887 170 E CA -0.618 55.656 56.400 -0.209 0.000 0.769 170 E CB 1.690 31.355 29.700 -0.057 0.000 1.187 170 E HN 0.417 nan 8.360 nan 0.000 0.416 171 F N 0.334 120.301 119.950 0.029 0.000 2.578 171 F HA 0.239 4.766 4.527 -0.000 0.000 0.311 171 F C -0.184 175.618 175.800 0.003 0.000 1.094 171 F CA -1.202 56.800 58.000 0.003 0.000 0.923 171 F CB 1.355 40.332 39.000 -0.038 0.000 1.230 171 F HN 0.242 nan 8.300 nan 0.000 0.450 172 D N 2.424 122.960 120.400 0.225 0.000 2.336 172 D HA 0.263 4.903 4.640 -0.000 0.000 0.249 172 D C 0.462 176.887 176.300 0.208 0.000 1.213 172 D CA 0.285 54.388 54.000 0.172 0.000 0.870 172 D CB 1.005 41.895 40.800 0.149 0.000 1.076 172 D HN 0.585 nan 8.370 nan 0.000 0.483 173 L N 2.516 123.860 121.223 0.201 0.000 2.513 173 L HA -0.035 4.305 4.340 -0.000 0.000 0.222 173 L C 2.191 179.302 176.870 0.402 0.000 1.096 173 L CA -0.062 54.931 54.840 0.254 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 1.870 176.579 174.600 0.181 0.000 1.104 174 S CA 2.054 60.379 58.200 0.208 0.000 1.130 174 S CB -0.280 63.001 63.200 0.135 0.000 1.000 174 S HN 0.586 nan 8.310 nan 0.000 0.449 175 A N -0.827 122.101 122.820 0.180 0.000 2.251 175 A HA 0.370 4.690 4.320 -0.000 0.000 0.209 175 A C 0.980 178.424 177.584 -0.235 0.000 1.187 175 A CA 0.236 52.219 52.037 -0.090 0.000 0.823 175 A CB -0.257 18.550 19.000 -0.322 0.000 0.846 175 A HN 0.487 nan 8.150 nan 0.000 0.486 176 F N -0.961 119.024 119.950 0.058 0.000 2.706 176 F HA 0.391 4.918 4.527 -0.000 0.000 0.313 176 F C 0.285 176.114 175.800 0.048 0.000 1.096 176 F CA -0.684 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 1.907 123.279 121.223 0.248 0.000 2.350 177 L HA 0.480 4.820 4.340 -0.000 0.000 0.275 177 L C 0.320 177.234 176.870 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 1.586 122.095 120.500 0.014 0.000 2.787 178 R HA 0.712 5.052 4.340 -0.000 0.000 0.271 178 R C -0.528 175.748 176.300 -0.040 0.000 0.993 178 R CA -0.935 55.156 56.100 -0.016 0.000 0.993 178 R CB 1.720 31.994 30.300 -0.042 0.000 1.155 178 R HN 0.693 nan 8.270 nan 0.000 0.486 179 A N 0.826 123.625 122.820 -0.034 0.000 2.407 179 A HA 0.542 4.862 4.320 -0.000 0.000 0.248 179 A C 0.937 178.471 177.584 -0.084 0.000 1.082 179 A CA 0.775 52.783 52.037 -0.048 0.000 0.785 179 A CB -0.044 18.937 19.000 -0.031 0.000 1.020 179 A HN 0.893 nan 8.150 nan 0.000 0.489 180 G N 0.791 109.528 108.800 -0.105 0.000 2.536 180 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.277 180 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.277 180 G C 0.060 174.842 174.900 -0.196 0.000 1.155 180 G CA 0.354 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 2.359 122.446 120.200 -0.187 0.000 2.257 181 E HA 0.339 4.689 4.350 -0.000 0.000 0.278 181 E C -0.059 176.344 176.600 -0.327 0.000 1.049 181 E CA -0.048 56.202 56.400 -0.250 0.000 0.876 181 E CB 0.196 29.796 29.700 -0.167 0.000 1.035 181 E HN 0.424 nan 8.360 nan 0.000 0.419 182 N N 3.057 121.404 118.700 -0.588 0.000 2.321 182 N HA 0.414 5.154 4.740 -0.000 0.000 0.290 182 N C -0.844 174.346 175.510 -0.533 0.000 1.212 182 N CA -0.739 51.938 53.050 -0.622 0.000 0.767 182 N CB 2.383 40.385 38.487 -0.809 0.000 1.494 182 N HN 0.253 nan 8.380 nan 0.000 0.479 183 R N 1.432 121.813 120.500 -0.197 0.000 2.575 183 R HA 0.462 4.802 4.340 -0.000 0.000 0.293 183 R C -1.334 175.035 176.300 0.114 0.000 0.983 183 R CA -0.517 55.576 56.100 -0.012 0.000 0.887 183 R CB 1.303 31.562 30.300 -0.069 0.000 1.184 183 R HN 0.512 nan 8.270 nan 0.000 0.445 184 L N 2.904 124.251 121.223 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 -0.764 54.200 54.840 0.207 0.000 0.806 184 L CB 1.878 44.078 42.059 0.235 0.000 1.220 184 L HN 0.690 nan 8.230 nan 0.000 0.429 185 A N 3.783 126.697 122.820 0.157 0.000 2.410 185 A HA 0.676 4.996 4.320 -0.000 0.000 0.289 185 A C -0.898 177.001 177.584 0.526 0.000 1.200 185 A CA -0.439 51.632 52.037 0.058 0.000 0.751 185 A CB 1.192 19.624 19.000 -0.947 0.000 1.161 185 A HN 0.377 nan 8.150 nan 0.000 0.459 186 V N 3.317 123.691 119.914 0.767 0.000 2.357 186 V HA 0.480 4.600 4.120 -0.000 0.000 0.284 186 V C 0.121 176.691 176.094 0.794 0.000 1.018 186 V CA -0.320 62.406 62.300 0.710 0.000 0.841 186 V CB 1.251 33.292 31.823 0.364 0.000 0.991 186 V HN 0.946 nan 8.190 nan 0.000 0.437 187 M N 6.281 126.361 119.600 0.800 0.000 2.088 187 M HA 0.602 5.082 4.480 -0.000 0.000 0.346 187 M C -1.438 175.105 176.300 0.404 0.000 1.111 187 M CA -0.273 55.324 55.300 0.496 0.000 1.017 187 M CB 1.237 34.164 32.600 0.545 0.000 1.568 187 M HN 0.470 nan 8.290 nan 0.000 0.445 188 V N 6.722 126.808 119.914 0.288 0.000 2.472 188 V HA 0.528 4.648 4.120 -0.000 0.000 0.290 188 V C -0.183 176.049 176.094 0.229 0.000 1.037 188 V CA -0.768 61.695 62.300 0.272 0.000 0.908 188 V CB 1.630 33.617 31.823 0.274 0.000 0.985 188 V HN 0.836 nan 8.190 nan 0.000 0.454 189 L N 2.808 124.121 121.223 0.149 0.000 2.362 189 L HA 0.672 5.012 4.340 -0.000 0.000 0.271 189 L C 1.050 177.879 176.870 -0.067 0.000 1.002 189 L CA -0.809 54.047 54.840 0.026 0.000 0.818 189 L CB 1.775 43.745 42.059 -0.148 0.000 1.298 189 L HN 0.444 nan 8.230 nan 0.000 0.420 190 R N 1.557 121.913 120.500 -0.240 0.000 2.082 190 R HA 0.004 4.344 4.340 -0.000 0.000 0.228 190 R C -0.210 175.693 176.300 -0.662 0.000 1.140 190 R CA 1.771 57.428 56.100 -0.739 0.000 0.920 190 R CB 0.012 29.535 30.300 -1.294 0.000 0.828 190 R HN 0.628 nan 8.270 nan 0.000 0.430 191 W N 0.362 121.721 121.300 0.098 0.000 2.375 191 W HA 0.297 4.957 4.660 -0.000 0.000 0.336 191 W C 0.144 176.781 176.519 0.197 0.000 1.160 191 W CA -0.694 56.722 57.345 0.117 0.000 1.266 191 W CB 1.060 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 -1.174 114.819 115.700 0.489 0.000 2.636 192 S HA 0.161 4.630 4.470 -0.000 0.000 0.268 192 S C 0.018 174.880 174.600 0.435 0.000 1.159 192 S CA -0.488 58.007 58.200 0.492 0.000 0.815 192 S CB 1.130 64.579 63.200 0.416 0.000 1.130 192 S HN 0.632 nan 8.310 nan 0.000 0.471 193 D N 0.801 121.452 120.400 0.419 0.000 2.178 193 D HA 0.035 4.675 4.640 -0.000 0.000 0.201 193 D C 1.898 178.489 176.300 0.485 0.000 0.980 193 D CA 1.308 55.584 54.000 0.460 0.000 0.842 193 D CB -0.838 40.117 40.800 0.258 0.000 0.948 193 D HN 0.733 nan 8.370 nan 0.000 0.472 194 G N 0.197 109.207 108.800 0.350 0.000 2.475 194 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.220 194 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.220 194 G C 1.741 176.818 174.900 0.294 0.000 1.125 194 G CA 1.050 46.328 45.100 0.296 0.000 0.755 194 G HN 0.338 nan 8.290 nan 0.000 0.565 195 S N 0.039 115.908 115.700 0.283 0.000 2.383 195 S HA -0.146 4.324 4.470 -0.000 0.000 0.229 195 S C 1.970 176.682 174.600 0.188 0.000 1.030 195 S CA 1.133 59.469 58.200 0.227 0.000 1.002 195 S CB -0.486 62.852 63.200 0.230 0.000 0.829 195 S HN 0.549 nan 8.310 nan 0.000 0.467 196 Y N 1.261 121.659 120.300 0.162 0.000 2.384 196 Y HA -0.010 4.540 4.550 -0.000 0.000 0.289 196 Y C 1.611 177.604 175.900 0.155 0.000 1.152 196 Y CA 0.686 58.804 58.100 0.030 0.000 1.258 196 Y CB -0.287 38.092 38.460 -0.135 0.000 0.979 196 Y HN 0.199 nan 8.280 nan 0.000 0.549 197 L N -0.049 121.362 121.223 0.312 0.000 2.700 197 L HA 0.125 4.465 4.340 -0.000 0.000 0.234 197 L C -0.069 176.938 176.870 0.229 0.000 1.156 197 L CA 0.368 55.349 54.840 0.235 0.000 0.946 197 L CB 0.002 42.196 42.059 0.224 0.000 1.216 197 L HN 0.194 nan 8.230 nan 0.000 0.493 198 E N -0.404 119.950 120.200 0.257 0.000 4.044 198 E HA 0.044 4.394 4.350 -0.000 0.000 0.216 198 E C -0.467 176.248 176.600 0.193 0.000 1.104 198 E CA -0.091 56.444 56.400 0.224 0.000 1.383 198 E CB 0.510 30.335 29.700 0.209 0.000 1.195 198 E HN 0.004 nan 8.360 nan 0.000 0.442 199 D N 1.291 121.770 120.400 0.131 0.000 2.519 199 D HA 0.005 4.645 4.640 -0.000 0.000 0.238 199 D C -0.210 176.082 176.300 -0.013 0.000 1.192 199 D CA -0.042 53.925 54.000 -0.055 0.000 0.835 199 D CB 0.096 40.630 40.800 -0.444 0.000 0.975 199 D HN 0.078 nan 8.370 nan 0.000 0.490 200 Q N 0.562 120.442 119.800 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 3.425 123.929 120.400 0.174 0.000 2.441 201 D HA 0.206 4.846 4.640 -0.000 0.000 0.243 201 D C -0.666 175.753 176.300 0.197 0.000 1.257 201 D CA 0.058 54.120 54.000 0.103 0.000 1.027 201 D CB -0.320 40.521 40.800 0.068 0.000 1.084 201 D HN 0.470 nan 8.370 nan 0.000 0.514 202 M N 0.433 120.109 119.600 0.127 0.000 3.008 202 M HA 0.460 4.940 4.480 -0.000 0.000 0.271 202 M C -1.278 175.112 176.300 0.150 0.000 1.265 202 M CA -1.227 54.111 55.300 0.064 0.000 0.817 202 M CB 1.060 33.630 32.600 -0.050 0.000 1.638 202 M HN -0.035 nan 8.290 nan 0.000 0.479 203 W N 1.988 123.359 121.300 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 -0.211 57.194 57.345 0.099 0.000 1.213 203 W CB 0.531 29.992 29.460 0.001 0.000 1.171 203 W HN 0.275 nan 8.180 nan 0.000 0.557 204 R N 4.967 125.649 120.500 0.303 0.000 2.196 204 R HA 0.424 4.764 4.340 -0.000 0.000 0.340 204 R C -0.131 176.203 176.300 0.056 0.000 1.043 204 R CA -0.184 56.019 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 0.269 119.797 119.600 -0.119 0.000 2.708 205 M HA 0.525 5.005 4.480 -0.000 0.000 0.280 205 M C -0.243 175.752 176.300 -0.508 0.000 1.095 205 M CA -0.789 54.322 55.300 -0.315 0.000 0.822 205 M CB 2.187 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 -1.306 113.968 115.700 -0.710 0.000 2.611 206 S HA 0.866 5.336 4.470 -0.000 0.000 0.270 206 S C -0.644 173.515 174.600 -0.736 0.000 1.131 206 S CA -0.306 57.395 58.200 -0.831 0.000 0.826 206 S CB 1.506 64.039 63.200 -1.111 0.000 1.095 206 S HN 1.470 nan 8.310 nan 0.000 0.461 207 G N 0.101 108.678 108.800 -0.371 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 -1.556 173.306 174.900 -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 2.112 122.525 120.570 -0.262 0.000 2.316 208 I HA 0.296 4.466 4.170 -0.000 0.000 0.286 208 I C 1.003 176.989 176.117 -0.217 0.000 1.107 208 I CA -0.309 60.741 61.300 -0.416 0.000 1.219 208 I CB -0.058 37.484 38.000 -0.762 0.000 1.455 208 I HN 0.505 nan 8.210 nan 0.000 0.498 209 F N 3.721 123.528 119.950 -0.238 0.000 2.727 209 F HA 0.457 4.984 4.527 -0.000 0.000 0.302 209 F C 0.662 176.397 175.800 -0.108 0.000 1.097 209 F CA -0.518 57.381 58.000 -0.169 0.000 1.330 209 F CB 0.076 38.976 39.000 -0.166 0.000 1.084 209 F HN 0.132 nan 8.300 nan 0.000 0.578 210 R N 0.720 120.809 120.500 -0.685 0.000 2.867 210 R HA 0.226 4.566 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 1.062 31.048 30.300 -0.523 0.000 1.208 210 R HN 0.010 nan 8.270 nan 0.000 0.477 211 D N 0.668 120.994 120.400 -0.124 0.000 2.515 211 D HA 0.072 4.712 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 0.533 54.489 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 0.774 120.658 119.914 -0.050 0.000 2.588 212 V HA 0.639 4.759 4.120 -0.000 0.000 0.304 212 V C -0.240 175.814 176.094 -0.067 0.000 1.042 212 V CA -0.587 61.667 62.300 -0.077 0.000 0.877 212 V CB 1.772 33.616 31.823 0.035 0.000 0.996 212 V HN 0.742 nan 8.190 nan 0.000 0.425 213 S N 4.417 120.029 115.700 -0.147 0.000 2.656 213 S HA 0.825 5.295 4.470 -0.000 0.000 0.273 213 S C -1.232 173.326 174.600 -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 1.322 122.565 121.223 0.034 0.000 2.386 214 L HA 0.680 5.020 4.340 -0.000 0.000 0.271 214 L C -1.638 175.341 176.870 0.182 0.000 0.993 214 L CA -0.797 54.123 54.840 0.134 0.000 0.819 214 L CB 1.833 44.059 42.059 0.278 0.000 1.294 214 L HN 0.593 nan 8.230 nan 0.000 0.414 215 L N 2.471 123.757 121.223 0.105 0.000 2.381 215 L HA 0.479 4.819 4.340 -0.000 0.000 0.274 215 L C -0.957 175.813 176.870 -0.167 0.000 0.988 215 L CA -0.254 54.583 54.840 -0.005 0.000 0.824 215 L CB 1.591 43.650 42.059 0.001 0.000 1.263 215 L HN 0.454 nan 8.230 nan 0.000 0.410 216 H N 4.177 122.923 119.070 -0.539 0.000 2.581 216 H HA 0.554 5.110 4.556 -0.000 0.000 0.308 216 H C -1.114 173.926 175.328 -0.480 0.000 1.040 216 H CA -0.128 55.429 56.048 -0.819 0.000 1.231 216 H CB 0.782 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 5.598 125.503 120.400 -0.824 0.000 2.375 217 K HA 0.389 4.709 4.320 -0.000 0.000 0.249 217 K C -2.723 173.516 176.600 -0.600 0.000 0.942 217 K CA -2.445 53.497 56.287 -0.574 0.000 0.806 217 K CB 1.836 34.107 32.500 -0.383 0.000 1.227 217 K HN 0.438 nan 8.250 nan 0.000 0.430 218 P HA -0.034 nan 4.420 nan 0.000 0.270 218 P C 0.336 177.498 177.300 -0.229 0.000 1.223 218 P CA -0.031 62.910 63.100 -0.265 0.000 0.785 218 P CB 0.442 32.040 31.700 -0.171 0.000 0.923 219 T N -2.000 112.456 114.554 -0.164 0.000 2.821 219 T HA -0.055 4.295 4.350 -0.000 0.000 0.267 219 T C 0.692 175.312 174.700 -0.134 0.000 1.046 219 T CA 1.311 63.331 62.100 -0.132 0.000 1.139 219 T CB -0.836 67.980 68.868 -0.086 0.000 0.871 219 T HN 0.337 nan 8.240 nan 0.000 0.454 220 T N 3.313 117.786 114.554 -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 0.850 69.633 68.868 -0.142 0.000 0.962 220 T HN 0.614 nan 8.240 nan 0.000 0.465 221 Q N 2.588 122.274 119.800 -0.191 0.000 2.615 221 Q HA 0.590 4.930 4.340 -0.000 0.000 0.298 221 Q C -1.087 174.788 176.000 -0.207 0.000 1.023 221 Q CA -1.193 54.484 55.803 -0.210 0.000 0.768 221 Q CB 1.332 29.911 28.738 -0.265 0.000 1.500 221 Q HN 0.434 nan 8.270 nan 0.000 0.441 222 I N 2.746 123.171 120.570 -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 0.164 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 3.139 118.756 115.700 -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 -0.602 119.951 120.400 0.256 0.000 2.766 224 D HA 0.433 5.073 4.640 -0.000 0.000 0.244 224 D C -1.703 174.788 176.300 0.319 0.000 1.198 224 D CA -0.738 53.494 54.000 0.388 0.000 0.739 224 D CB 0.992 41.921 40.800 0.216 0.000 1.379 224 D HN 0.256 nan 8.370 nan 0.000 0.437 225 F N -0.337 119.619 119.950 0.011 0.000 2.678 225 F HA 0.735 5.262 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 -0.168 0.000 0.959 225 F CB 1.419 40.406 39.000 -0.021 0.000 1.305 225 F HN 0.317 nan 8.300 nan 0.000 0.443 226 H N 0.897 119.968 119.070 0.002 0.000 2.768 226 H HA 0.804 5.359 4.556 -0.000 0.000 0.371 226 H C -1.375 173.936 175.328 -0.029 0.000 1.151 226 H CA -1.533 54.442 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 1.063 121.018 119.914 0.070 0.000 2.769 227 V HA 0.831 4.951 4.120 -0.000 0.000 0.312 227 V C -0.466 175.605 176.094 -0.038 0.000 1.061 227 V CA -0.643 61.664 62.300 0.013 0.000 0.931 227 V CB 1.626 33.434 31.823 -0.025 0.000 1.010 227 V HN 0.986 nan 8.190 nan 0.000 0.433 228 A N 2.129 124.906 122.820 -0.070 0.000 2.547 228 A HA 0.865 5.185 4.320 -0.000 0.000 0.297 228 A C -0.438 177.056 177.584 -0.149 0.000 1.056 228 A CA -0.431 51.553 52.037 -0.089 0.000 0.688 228 A CB 2.056 21.026 19.000 -0.049 0.000 1.282 228 A HN 0.939 nan 8.150 nan 0.000 0.400 229 T N -0.132 114.323 114.554 -0.165 0.000 2.829 229 T HA 0.810 5.160 4.350 -0.000 0.000 0.280 229 T C -0.364 174.149 174.700 -0.313 0.000 0.999 229 T CA -0.706 61.227 62.100 -0.278 0.000 0.983 229 T CB 1.589 70.255 68.868 -0.338 0.000 0.968 229 T HN 0.704 nan 8.240 nan 0.000 0.446 230 R N 1.383 121.582 120.500 -0.501 0.000 2.750 230 R HA 0.734 5.074 4.340 -0.000 0.000 0.281 230 R C -1.425 174.458 176.300 -0.696 0.000 0.972 230 R CA -0.761 55.108 56.100 -0.386 0.000 0.912 230 R CB 1.528 31.723 30.300 -0.176 0.000 1.187 230 R HN 0.609 nan 8.270 nan 0.000 0.464 231 F N 0.568 120.517 119.950 -0.001 0.000 2.631 231 F HA 0.387 4.914 4.527 -0.000 0.000 0.328 231 F C 0.515 176.205 175.800 -0.184 0.000 1.067 231 F CA -1.112 56.837 58.000 -0.084 0.000 0.969 231 F CB 0.855 39.742 39.000 -0.188 0.000 1.332 231 F HN 0.465 nan 8.300 nan 0.000 0.490 232 N N 0.189 118.894 118.700 0.008 0.000 2.463 232 N HA 0.064 4.804 4.740 -0.000 0.000 0.270 232 N C 0.407 175.781 175.510 -0.227 0.000 1.205 232 N CA -0.160 52.843 53.050 -0.078 0.000 0.974 232 N CB 0.634 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 -0.593 119.707 120.400 -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 1.696 55.582 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 -1.950 118.356 120.400 -0.157 0.000 2.469 234 D HA 0.013 4.653 4.640 -0.000 0.000 0.215 234 D C 0.256 176.675 176.300 0.198 0.000 1.154 234 D CA -0.818 53.204 54.000 0.036 0.000 0.832 234 D CB -1.045 39.805 40.800 0.083 0.000 1.008 234 D HN 0.216 nan 8.370 nan 0.000 0.506 235 F N 0.464 120.469 119.950 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 -0.044 0.000 1.392 235 F HN 0.202 nan 8.300 nan 0.000 0.425 236 S N -0.351 115.457 115.700 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 0.090 0.000 0.985 236 S CA 0.062 58.336 58.200 0.123 0.000 0.914 236 S CB 0.386 63.632 63.200 0.077 0.000 0.776 236 S HN 0.349 nan 8.310 nan 0.000 0.526 237 R N 0.457 121.018 120.500 0.103 0.000 2.566 237 R HA 0.790 5.130 4.340 -0.000 0.000 0.271 237 R C -1.227 175.095 176.300 0.037 0.000 1.071 237 R CA -0.290 55.834 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 1.336 124.118 122.820 -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 2.158 21.013 19.000 -0.241 0.000 1.340 238 A HN 0.318 nan 8.150 nan 0.000 0.427 239 V N 1.328 121.122 119.914 -0.200 0.000 2.482 239 V HA 0.374 4.494 4.120 -0.000 0.000 0.295 239 V C -1.079 174.959 176.094 -0.092 0.000 1.026 239 V CA -0.448 61.783 62.300 -0.115 0.000 0.856 239 V CB 1.347 33.104 31.823 -0.110 0.000 1.001 239 V HN 0.801 nan 8.190 nan 0.000 0.424 240 L N 5.320 126.525 121.223 -0.029 0.000 2.276 240 L HA 0.606 4.946 4.340 -0.000 0.000 0.286 240 L C -0.028 176.806 176.870 -0.061 0.000 1.061 240 L CA 0.238 55.047 54.840 -0.052 0.000 0.807 240 L CB 1.037 43.091 42.059 -0.009 0.000 1.177 240 L HN 0.868 nan 8.230 nan 0.000 0.429 241 E N 4.843 125.000 120.200 -0.070 0.000 2.218 241 E HA 0.760 5.110 4.350 -0.000 0.000 0.263 241 E C -1.778 174.808 176.600 -0.024 0.000 0.879 241 E CA -0.817 55.555 56.400 -0.047 0.000 0.762 241 E CB 1.551 31.221 29.700 -0.050 0.000 1.166 241 E HN 0.832 nan 8.360 nan 0.000 0.415 242 A N 4.280 127.092 122.820 -0.014 0.000 2.343 242 A HA 0.472 4.792 4.320 -0.000 0.000 0.316 242 A C -0.890 176.686 177.584 -0.013 0.000 1.104 242 A CA -0.733 51.315 52.037 0.017 0.000 0.768 242 A CB 1.372 20.392 19.000 0.034 0.000 1.213 242 A HN 0.775 nan 8.150 nan 0.000 0.456 243 E N 2.210 122.400 120.200 -0.016 0.000 2.187 243 E HA 0.615 4.965 4.350 -0.000 0.000 0.268 243 E C -1.669 174.859 176.600 -0.120 0.000 0.896 243 E CA -0.528 55.819 56.400 -0.088 0.000 0.766 243 E CB 1.692 31.334 29.700 -0.096 0.000 1.142 243 E HN 0.383 nan 8.360 nan 0.000 0.408 244 V N 3.980 123.829 119.914 -0.108 0.000 2.604 244 V HA 0.357 4.477 4.120 -0.000 0.000 0.305 244 V C -0.574 175.527 176.094 0.011 0.000 1.043 244 V CA -0.827 61.442 62.300 -0.052 0.000 0.888 244 V CB 1.695 33.459 31.823 -0.097 0.000 0.995 244 V HN 0.748 nan 8.190 nan 0.000 0.429 245 Q N 4.170 124.012 119.800 0.069 0.000 2.365 245 Q HA 0.833 5.173 4.340 -0.000 0.000 0.269 245 Q C -0.830 175.255 176.000 0.142 0.000 1.061 245 Q CA -0.823 55.057 55.803 0.128 0.000 0.816 245 Q CB 2.820 31.571 28.738 0.022 0.000 1.325 245 Q HN 0.856 nan 8.270 nan 0.000 0.446 246 M N -0.881 118.781 119.600 0.103 0.000 2.662 246 M HA 0.776 5.256 4.480 -0.000 0.000 0.310 246 M C -1.312 174.896 176.300 -0.153 0.000 1.204 246 M CA -0.506 54.738 55.300 -0.093 0.000 0.891 246 M CB 2.114 34.482 32.600 -0.387 0.000 1.732 246 M HN 0.550 nan 8.290 nan 0.000 0.467 247 C N 1.510 120.708 119.300 -0.170 0.000 2.563 247 C HA 1.017 5.477 4.460 -0.000 0.000 0.314 247 C C 0.559 175.444 174.990 -0.174 0.000 1.199 247 C CA 0.943 59.873 59.018 -0.147 0.000 1.564 247 C CB 0.932 28.602 27.740 -0.117 0.000 2.173 247 C HN 1.304 nan 8.230 nan 0.000 0.485 248 G N 3.174 111.883 108.800 -0.151 0.000 2.265 248 G HA2 0.080 4.040 3.960 -0.000 0.000 0.246 248 G HA3 0.080 4.040 3.960 -0.000 0.000 0.246 248 G C -1.210 173.601 174.900 -0.148 0.000 1.299 248 G CA -0.483 44.529 45.100 -0.147 0.000 1.117 248 G HN 0.743 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 0.338 176.824 176.600 -0.190 0.000 1.031 249 E CA -0.401 55.921 56.400 -0.131 0.000 0.824 249 E CB 0.604 30.253 29.700 -0.084 0.000 1.076 249 E HN 0.523 nan 8.360 nan 0.000 0.395 250 L N 5.309 126.418 121.223 -0.190 0.000 2.410 250 L HA 0.321 4.661 4.340 -0.000 0.000 0.273 250 L C -0.004 176.747 176.870 -0.198 0.000 1.144 250 L CA 0.115 54.812 54.840 -0.239 0.000 0.863 250 L CB 0.212 42.148 42.059 -0.205 0.000 1.140 250 L HN 0.487 nan 8.230 nan 0.000 0.463 251 R N 2.576 122.902 120.500 -0.291 0.000 2.626 251 R HA 0.141 4.481 4.340 -0.000 0.000 0.274 251 R C -0.071 176.037 176.300 -0.321 0.000 1.031 251 R CA -0.620 55.304 56.100 -0.294 0.000 0.898 251 R CB 1.665 31.606 30.300 -0.599 0.000 1.222 251 R HN 0.685 nan 8.270 nan 0.000 0.455 252 D N 1.384 121.730 120.400 -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 1.164 55.160 54.000 -0.005 0.000 0.915 252 D CB 0.003 40.846 40.800 0.072 0.000 0.896 252 D HN 0.688 nan 8.370 nan 0.000 0.523 253 Y N -0.601 119.700 120.300 0.001 0.000 2.468 253 Y HA 0.392 4.942 4.550 -0.000 0.000 0.268 253 Y C 0.857 176.753 175.900 -0.006 0.000 1.177 253 Y CA -0.948 57.154 58.100 0.003 0.000 1.265 253 Y CB -0.277 38.187 38.460 0.006 0.000 1.103 253 Y HN -0.236 nan 8.280 nan 0.000 0.522 254 L N 2.933 123.947 121.223 -0.349 0.000 2.397 254 L HA 0.393 4.733 4.340 -0.000 0.000 0.271 254 L C 0.189 176.995 176.870 -0.106 0.000 1.148 254 L CA -0.189 54.510 54.840 -0.235 0.000 0.825 254 L CB 0.625 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 2.041 122.384 120.500 -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 2.371 32.390 30.300 -0.469 0.000 1.228 255 R HN 0.288 nan 8.270 nan 0.000 0.469 256 V N 0.661 120.374 119.914 -0.335 0.000 2.760 256 V HA 0.517 4.637 4.120 -0.000 0.000 0.309 256 V C -0.612 175.472 176.094 -0.016 0.000 1.077 256 V CA -0.627 61.554 62.300 -0.198 0.000 0.910 256 V CB 2.410 34.039 31.823 -0.322 0.000 1.008 256 V HN 0.783 nan 8.190 nan 0.000 0.424 257 T N 3.439 118.054 114.554 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 3.297 123.206 119.914 -0.009 0.000 2.531 258 V HA 0.695 4.815 4.120 -0.000 0.000 0.301 258 V C -0.337 175.750 176.094 -0.013 0.000 1.034 258 V CA -0.839 61.453 62.300 -0.015 0.000 0.865 258 V CB 1.810 33.612 31.823 -0.034 0.000 0.995 258 V HN 1.065 nan 8.190 nan 0.000 0.424 259 S N 5.199 120.914 115.700 0.025 0.000 2.526 259 S HA 0.841 5.311 4.470 -0.000 0.000 0.293 259 S C -1.071 173.531 174.600 0.004 0.000 1.092 259 S CA -0.748 57.431 58.200 -0.036 0.000 0.980 259 S CB 2.320 65.544 63.200 0.040 0.000 1.048 259 S HN 0.459 nan 8.310 nan 0.000 0.483 260 L N 2.226 123.340 121.223 -0.182 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 -0.441 54.376 54.840 -0.040 0.000 0.815 260 L CB 0.734 42.784 42.059 -0.015 0.000 1.247 260 L HN 0.881 nan 8.230 nan 0.000 0.421 261 W N 3.086 124.485 121.300 0.166 0.000 2.819 261 W HA 0.559 5.219 4.660 -0.000 0.000 0.337 261 W C -0.553 176.098 176.519 0.220 0.000 1.077 261 W CA -0.585 56.851 57.345 0.153 0.000 1.226 261 W CB 1.572 31.074 29.460 0.070 0.000 1.419 261 W HN 0.420 nan 8.180 nan 0.000 0.502 262 Q N 2.424 122.465 119.800 0.402 0.000 2.721 262 Q HA 0.491 4.831 4.340 -0.000 0.000 0.257 262 Q C 0.732 176.816 176.000 0.139 0.000 1.070 262 Q CA 0.638 56.532 55.803 0.152 0.000 0.910 262 Q CB 0.319 29.110 28.738 0.088 0.000 1.163 262 Q HN 0.729 nan 8.270 nan 0.000 0.501 263 G N 2.332 111.207 108.800 0.125 0.000 2.675 263 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.312 263 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.312 263 G C 0.778 175.753 174.900 0.124 0.000 1.186 263 G CA 0.403 45.547 45.100 0.074 0.000 0.965 263 G HN 0.519 nan 8.290 nan 0.000 0.548 264 E N 1.377 121.651 120.200 0.123 0.000 2.230 264 E HA 0.193 4.543 4.350 -0.000 0.000 0.192 264 E C 1.504 178.311 176.600 0.345 0.000 0.987 264 E CA 1.032 57.522 56.400 0.149 0.000 0.841 264 E CB -0.307 29.444 29.700 0.084 0.000 0.783 264 E HN 0.492 nan 8.360 nan 0.000 0.481 265 T N 1.248 115.988 114.554 0.310 0.000 2.856 265 T HA 0.176 4.526 4.350 -0.000 0.000 0.292 265 T C 0.042 174.860 174.700 0.196 0.000 0.980 265 T CA -0.367 61.886 62.100 0.256 0.000 1.091 265 T CB 1.452 70.386 68.868 0.110 0.000 0.936 265 T HN -0.061 nan 8.240 nan 0.000 0.503 266 Q N 2.757 122.401 119.800 -0.260 0.000 2.322 266 Q HA 0.286 4.626 4.340 -0.000 0.000 0.256 266 Q C 0.447 176.178 176.000 -0.449 0.000 0.960 266 Q CA -0.450 54.759 55.803 -0.990 0.000 0.934 266 Q CB 0.924 28.686 28.738 -1.627 0.000 1.200 266 Q HN 0.618 nan 8.270 nan 0.000 0.435 267 V N 1.848 121.558 119.914 -0.341 0.000 2.825 267 V HA 0.379 4.499 4.120 -0.000 0.000 0.246 267 V C 0.506 176.495 176.094 -0.176 0.000 1.068 267 V CA 0.812 63.021 62.300 -0.152 0.000 1.088 267 V CB -0.193 31.627 31.823 -0.004 0.000 0.733 267 V HN 0.718 nan 8.190 nan 0.000 0.468 268 A N -1.114 121.558 122.820 -0.246 0.000 2.594 268 A HA 0.744 5.064 4.320 -0.000 0.000 0.296 268 A C -0.808 176.652 177.584 -0.206 0.000 1.056 268 A CA -0.004 51.921 52.037 -0.187 0.000 0.693 268 A CB 1.664 20.591 19.000 -0.121 0.000 1.278 268 A HN 0.055 nan 8.150 nan 0.000 0.408 269 S N -0.953 114.657 115.700 -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 65.115 63.200 -0.125 0.000 1.116 269 S HN 2.264 nan 8.310 nan 0.000 0.472 270 G N 1.160 109.927 108.800 -0.055 0.000 2.759 270 G HA2 0.591 4.551 3.960 -0.000 0.000 0.297 270 G HA3 0.591 4.551 3.960 -0.000 0.000 0.297 270 G C -1.518 173.365 174.900 -0.028 0.000 1.434 270 G CA -0.361 44.713 45.100 -0.044 0.000 0.980 270 G HN 0.665 nan 8.290 nan 0.000 0.531 271 T N -0.134 114.407 114.554 -0.021 0.000 2.893 271 T HA 0.903 5.253 4.350 -0.000 0.000 0.293 271 T C -0.198 174.482 174.700 -0.034 0.000 1.027 271 T CA 0.146 62.245 62.100 -0.001 0.000 0.988 271 T CB 1.838 70.737 68.868 0.052 0.000 1.043 271 T HN 1.765 nan 8.240 nan 0.000 0.461 272 A N 3.152 125.929 122.820 -0.072 0.000 2.566 272 A HA 0.905 5.225 4.320 -0.000 0.000 0.290 272 A C -3.243 174.244 177.584 -0.161 0.000 1.071 272 A CA -1.385 50.591 52.037 -0.102 0.000 0.658 272 A CB 1.115 20.045 19.000 -0.117 0.000 1.285 272 A HN 0.533 nan 8.150 nan 0.000 0.427 273 P HA 0.670 nan 4.420 nan 0.000 0.289 273 P C -0.739 176.493 177.300 -0.114 0.000 1.293 273 P CA -0.490 62.562 63.100 -0.080 0.000 0.897 273 P CB 0.513 32.208 31.700 -0.009 0.000 1.166 274 F N 0.610 120.511 119.950 -0.083 0.000 2.535 274 F HA 0.427 4.954 4.527 -0.000 0.000 0.332 274 F C 1.610 177.389 175.800 -0.035 0.000 1.208 274 F CA 1.813 59.776 58.000 -0.062 0.000 1.330 274 F CB -0.268 38.689 39.000 -0.072 0.000 1.167 274 F HN 0.625 nan 8.300 nan 0.000 0.597 275 G N 0.836 109.754 108.800 0.197 0.000 3.438 275 G HA2 0.380 4.340 3.960 -0.000 0.000 0.684 275 G HA3 0.380 4.340 3.960 -0.000 0.000 0.684 275 G C -0.471 174.469 174.900 0.067 0.000 1.192 275 G CA -0.782 44.389 45.100 0.119 0.000 1.013 275 G HN 1.060 nan 8.290 nan 0.000 0.530 276 G N 0.655 109.511 108.800 0.094 0.000 2.537 276 G HA2 0.755 4.715 3.960 -0.000 0.000 0.297 276 G HA3 0.755 4.715 3.960 -0.000 0.000 0.297 276 G C 0.073 175.006 174.900 0.054 0.000 1.310 276 G CA -0.332 44.815 45.100 0.079 0.000 1.027 276 G HN 0.888 nan 8.290 nan 0.000 0.505 277 E N -0.850 119.379 120.200 0.048 0.000 2.345 277 E HA 0.384 4.734 4.350 -0.000 0.000 0.259 277 E C -0.315 176.304 176.600 0.032 0.000 1.117 277 E CA -0.643 55.775 56.400 0.029 0.000 0.913 277 E CB 0.817 30.529 29.700 0.020 0.000 1.057 277 E HN 0.220 nan 8.360 nan 0.000 0.432 278 I N 1.615 122.193 120.570 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 61.984 61.300 0.001 0.000 1.430 278 I CB 0.190 38.186 38.000 -0.006 0.000 1.367 278 I HN 0.651 nan 8.210 nan 0.000 0.577 279 I N 0.899 121.467 120.570 -0.003 0.000 4.244 279 I HA 0.426 4.596 4.170 -0.000 0.000 0.318 279 I C -0.176 175.939 176.117 -0.003 0.000 1.282 279 I CA 0.173 61.481 61.300 0.014 0.000 1.276 279 I CB 0.356 38.389 38.000 0.054 0.000 1.183 279 I HN 0.607 nan 8.210 nan 0.000 0.431 280 D N -0.373 120.012 120.400 -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 41.128 40.800 -0.021 0.000 1.440 280 D HN -0.084 nan 8.370 nan 0.000 0.540 281 E N -0.870 119.316 120.200 -0.023 0.000 2.209 281 E HA -0.080 4.270 4.350 -0.000 0.000 0.196 281 E C 1.521 178.103 176.600 -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 0.726 56.792 56.100 -0.056 0.000 1.046 282 R CB 0.765 31.025 30.300 -0.066 0.000 0.984 282 R HN 0.206 nan 8.270 nan 0.000 0.493 283 G N -0.375 108.383 108.800 -0.070 0.000 2.301 283 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.194 283 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.194 283 G C -0.392 174.449 174.900 -0.098 0.000 1.266 283 G CA -0.624 44.434 45.100 -0.070 0.000 1.210 283 G HN 0.426 nan 8.290 nan 0.000 0.524 284 G N -1.828 106.908 108.800 -0.106 0.000 3.251 284 G HA2 0.639 4.599 3.960 -0.000 0.000 0.248 284 G HA3 0.639 4.599 3.960 -0.000 0.000 0.248 284 G C -1.610 173.154 174.900 -0.226 0.000 1.320 284 G CA -0.746 44.283 45.100 -0.117 0.000 0.982 284 G HN 0.734 nan 8.290 nan 0.000 0.575 285 Y N 0.834 121.148 120.300 0.024 0.000 2.404 285 Y HA 0.460 5.010 4.550 -0.000 0.000 0.344 285 Y C 1.368 177.299 175.900 0.052 0.000 0.970 285 Y CA 0.024 58.145 58.100 0.035 0.000 1.180 285 Y CB 1.858 40.345 38.460 0.044 0.000 1.138 285 Y HN 0.534 nan 8.280 nan 0.000 0.510 286 A N 1.829 124.735 122.820 0.142 0.000 1.968 286 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 286 A C 1.324 179.005 177.584 0.162 0.000 1.169 286 A CA 1.469 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 0.789 nan 8.150 nan 0.000 0.446 287 D N -0.602 119.899 120.400 0.168 0.000 2.460 287 D HA 0.168 4.808 4.640 -0.000 0.000 0.229 287 D C 0.388 176.903 176.300 0.358 0.000 1.170 287 D CA -0.073 53.989 54.000 0.105 0.000 0.827 287 D CB -0.084 40.718 40.800 0.003 0.000 0.973 287 D HN 0.399 nan 8.370 nan 0.000 0.496 288 R N -0.994 119.778 120.500 0.454 0.000 2.817 288 R HA 0.762 5.102 4.340 -0.000 0.000 0.268 288 R C -1.595 174.763 176.300 0.097 0.000 1.027 288 R CA -1.181 55.089 56.100 0.284 0.000 0.928 288 R CB 2.870 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 0.119 119.958 119.914 -0.126 0.000 3.077 289 V HA 0.501 4.621 4.120 -0.000 0.000 0.299 289 V C -1.677 174.313 176.094 -0.174 0.000 1.276 289 V CA -0.256 61.906 62.300 -0.230 0.000 0.993 289 V CB 2.755 34.269 31.823 -0.515 0.000 1.076 289 V HN 0.819 nan 8.190 nan 0.000 0.434 290 T N 6.920 121.400 114.554 -0.123 0.000 2.841 290 T HA 0.744 5.094 4.350 -0.000 0.000 0.285 290 T C -1.055 173.595 174.700 -0.084 0.000 0.991 290 T CA -0.269 61.777 62.100 -0.089 0.000 0.966 290 T CB 1.225 70.063 68.868 -0.051 0.000 0.962 290 T HN 0.481 nan 8.240 nan 0.000 0.438 291 L N 2.811 123.988 121.223 -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 1.303 43.318 42.059 -0.073 0.000 1.287 291 L HN 0.396 nan 8.230 nan 0.000 0.435 292 R N 2.732 123.202 120.500 -0.050 0.000 2.435 292 R HA 0.634 4.974 4.340 -0.000 0.000 0.308 292 R C -1.483 174.788 176.300 -0.048 0.000 0.975 292 R CA -0.598 55.473 56.100 -0.048 0.000 0.867 292 R CB 1.360 31.632 30.300 -0.046 0.000 1.171 292 R HN 0.475 nan 8.270 nan 0.000 0.470 293 L N 2.764 123.960 121.223 -0.047 0.000 2.317 293 L HA 0.448 4.788 4.340 -0.000 0.000 0.281 293 L C 0.070 176.910 176.870 -0.050 0.000 1.024 293 L CA -0.914 53.897 54.840 -0.048 0.000 0.810 293 L CB 1.424 43.456 42.059 -0.045 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 41.348 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 -0.150 175.863 176.094 -0.136 0.000 1.034 295 V CA -0.852 61.352 62.300 -0.159 0.000 0.863 295 V CB 2.153 33.791 31.823 -0.308 0.000 0.999 295 V HN 0.521 nan 8.190 nan 0.000 0.423 296 E N 3.622 123.765 120.200 -0.095 0.000 2.301 296 E HA 0.292 4.642 4.350 -0.000 0.000 0.275 296 E C -0.016 176.553 176.600 -0.050 0.000 1.030 296 E CA -0.352 56.014 56.400 -0.056 0.000 0.852 296 E CB 0.723 30.403 29.700 -0.034 0.000 1.060 296 E HN 0.693 nan 8.360 nan 0.000 0.401 297 N N 1.309 120.000 118.700 -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 53.451 53.050 0.009 0.000 0.759 297 N CB -1.406 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 0.103 nan 4.420 nan 0.000 0.270 298 P C 0.111 177.416 177.300 0.008 0.000 1.223 298 P CA 0.230 63.211 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 1.403 121.895 120.400 0.154 0.000 2.234 299 K HA 0.367 4.687 4.320 -0.000 0.000 0.277 299 K C -0.154 176.604 176.600 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 32.765 32.500 0.125 0.000 1.091 299 K HN 0.368 nan 8.250 nan 0.000 0.467 300 L N 2.716 124.015 121.223 0.126 0.000 2.395 300 L HA 0.347 4.687 4.340 -0.000 0.000 0.269 300 L C -0.067 176.879 176.870 0.127 0.000 1.133 300 L CA -0.727 54.193 54.840 0.133 0.000 0.812 300 L CB 0.500 42.476 42.059 -0.138 0.000 1.125 300 L HN 0.619 nan 8.230 nan 0.000 0.452 301 W N 3.097 124.423 121.300 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 2.879 117.882 115.700 -1.163 0.000 2.595 302 S HA 0.561 5.031 4.470 -0.000 0.000 0.270 302 S C 0.026 173.839 174.600 -1.312 0.000 1.145 302 S CA -0.344 57.290 58.200 -0.943 0.000 0.825 302 S CB 0.898 63.813 63.200 -0.476 0.000 1.107 302 S HN 1.146 nan 8.310 nan 0.000 0.461 303 A N 0.800 123.055 122.820 -0.942 0.000 2.019 303 A HA 0.031 4.351 4.320 -0.000 0.000 0.219 303 A C 1.776 179.031 177.584 -0.547 0.000 1.164 303 A CA 1.683 53.149 52.037 -0.951 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 -0.865 119.148 120.200 -0.312 0.000 2.072 304 E HA -0.004 4.346 4.350 -0.000 0.000 0.191 304 E C -0.218 176.223 176.600 -0.265 0.000 0.985 304 E CA 0.826 57.100 56.400 -0.210 0.000 0.801 304 E CB -0.029 29.679 29.700 0.014 0.000 0.750 304 E HN 0.620 nan 8.360 nan 0.000 0.452 305 I N 0.909 121.271 120.570 -0.346 0.000 2.576 305 I HA 0.142 4.312 4.170 -0.000 0.000 0.279 305 I C -2.615 173.220 176.117 -0.469 0.000 1.114 305 I CA -1.886 59.231 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 -0.048 0.000 1.756 306 P CA -0.140 62.617 63.100 -0.572 0.000 0.990 306 P CB -0.370 31.225 31.700 -0.175 0.000 1.973 307 N N 1.578 120.267 118.700 -0.018 0.000 2.447 307 N HA 0.104 4.844 4.740 -0.000 0.000 0.263 307 N C 0.104 175.815 175.510 0.336 0.000 1.226 307 N CA 0.442 53.562 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 2.196 123.530 121.223 0.185 0.000 2.323 308 L HA 0.527 4.867 4.340 -0.000 0.000 0.265 308 L C -0.845 176.085 176.870 0.099 0.000 1.012 308 L CA -0.873 54.111 54.840 0.240 0.000 0.820 308 L CB 1.214 43.389 42.059 0.194 0.000 1.334 308 L HN 0.408 nan 8.230 nan 0.000 0.427 309 Y N -0.157 120.271 120.300 0.213 0.000 2.605 309 Y HA 0.579 5.129 4.550 -0.000 0.000 0.343 309 Y C -0.361 175.644 175.900 0.175 0.000 1.036 309 Y CA -0.800 57.433 58.100 0.221 0.000 1.065 309 Y CB 2.111 40.758 38.460 0.310 0.000 1.288 309 Y HN 0.377 nan 8.280 nan 0.000 0.481 310 R N 1.136 121.869 120.500 0.387 0.000 2.562 310 R HA 0.876 5.216 4.340 -0.000 0.000 0.298 310 R C -1.534 174.955 176.300 0.316 0.000 0.961 310 R CA -0.678 55.581 56.100 0.266 0.000 0.881 310 R CB 1.205 31.582 30.300 0.129 0.000 1.159 310 R HN 0.799 nan 8.270 nan 0.000 0.450 311 A N 3.544 126.492 122.820 0.214 0.000 2.355 311 A HA 0.617 4.937 4.320 -0.000 0.000 0.317 311 A C -1.198 176.458 177.584 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 20.694 19.000 0.156 0.000 1.230 311 A HN 0.447 nan 8.150 nan 0.000 0.448 312 V N 2.021 122.010 119.914 0.126 0.000 2.487 312 V HA 0.517 4.637 4.120 -0.000 0.000 0.298 312 V C -0.438 175.642 176.094 -0.024 0.000 1.028 312 V CA -0.692 61.624 62.300 0.027 0.000 0.860 312 V CB 1.442 33.290 31.823 0.041 0.000 0.991 312 V HN 0.597 nan 8.190 nan 0.000 0.427 313 V N 4.808 124.645 119.914 -0.128 0.000 2.313 313 V HA 0.432 4.552 4.120 -0.000 0.000 0.278 313 V C -0.029 176.009 176.094 -0.093 0.000 1.017 313 V CA -0.483 61.712 62.300 -0.174 0.000 0.823 313 V CB 1.007 32.573 31.823 -0.428 0.000 1.010 313 V HN 1.039 nan 8.190 nan 0.000 0.443 314 E N 5.047 125.244 120.200 -0.006 0.000 2.165 314 E HA 0.565 4.915 4.350 -0.000 0.000 0.266 314 E C -1.065 175.638 176.600 0.172 0.000 0.889 314 E CA -1.055 55.392 56.400 0.079 0.000 0.756 314 E CB 2.709 32.464 29.700 0.091 0.000 1.131 314 E HN 0.406 nan 8.360 nan 0.000 0.411 315 L N 5.450 126.739 121.223 0.110 0.000 2.255 315 L HA 0.285 4.625 4.340 -0.000 0.000 0.289 315 L C -0.695 176.242 176.870 0.112 0.000 1.046 315 L CA 0.056 54.930 54.840 0.056 0.000 0.816 315 L CB -0.233 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 1.169 120.255 119.070 0.028 0.000 2.942 316 H HA 0.611 5.167 4.556 -0.000 0.000 0.316 316 H C -0.911 174.453 175.328 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 -2.855 111.827 114.554 0.213 0.000 2.881 317 T HA 0.533 4.883 4.350 -0.000 0.000 0.278 317 T C 1.465 176.335 174.700 0.284 0.000 0.982 317 T CA -0.172 62.061 62.100 0.221 0.000 0.989 317 T CB 1.386 70.445 68.868 0.319 0.000 1.058 317 T HN 0.777 nan 8.240 nan 0.000 0.529 318 A N 1.035 123.997 122.820 0.235 0.000 1.940 318 A HA -0.104 4.216 4.320 -0.000 0.000 0.219 318 A C 1.856 179.539 177.584 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 -2.457 118.028 120.400 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 1.487 55.539 54.000 0.088 0.000 0.847 319 D CB -0.260 40.572 40.800 0.054 0.000 0.942 319 D HN 0.806 nan 8.370 nan 0.000 0.467 320 G N -1.478 107.401 108.800 0.132 0.000 2.227 320 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.168 320 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.168 320 G C 0.194 175.130 174.900 0.060 0.000 1.006 320 G CA -0.024 45.115 45.100 0.065 0.000 0.684 320 G HN 0.347 nan 8.290 nan 0.000 0.489 321 T N 1.915 116.538 114.554 0.115 0.000 2.814 321 T HA 0.473 4.823 4.350 -0.000 0.000 0.297 321 T C 0.246 175.032 174.700 0.144 0.000 0.956 321 T CA 0.007 62.168 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 4.980 126.263 121.223 0.099 0.000 2.331 322 L HA 0.341 4.681 4.340 -0.000 0.000 0.278 322 L C 0.585 177.513 176.870 0.097 0.000 1.106 322 L CA 0.130 55.040 54.840 0.118 0.000 0.824 322 L CB 0.325 42.422 42.059 0.065 0.000 1.142 322 L HN 0.543 nan 8.230 nan 0.000 0.443 323 I N 3.122 123.749 120.570 0.096 0.000 2.494 323 I HA 0.158 4.328 4.170 -0.000 0.000 0.250 323 I C 0.625 176.755 176.117 0.021 0.000 1.112 323 I CA 0.931 62.257 61.300 0.044 0.000 1.438 323 I CB -0.301 37.707 38.000 0.013 0.000 1.111 323 I HN 0.869 nan 8.210 nan 0.000 0.431 324 E N -0.732 119.486 120.200 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 0.949 30.625 29.700 -0.040 0.000 1.335 324 E HN -0.070 nan 8.360 nan 0.000 0.436 325 A N 0.916 123.790 122.820 0.090 0.000 2.539 325 A HA 0.754 5.074 4.320 -0.000 0.000 0.296 325 A C -1.272 176.439 177.584 0.212 0.000 1.073 325 A CA -0.695 51.402 52.037 0.100 0.000 0.700 325 A CB 1.972 21.019 19.000 0.078 0.000 1.296 325 A HN 0.495 nan 8.150 nan 0.000 0.405 326 E N -0.533 119.721 120.200 0.091 0.000 2.393 326 E HA 0.783 5.133 4.350 -0.000 0.000 0.273 326 E C -0.624 175.992 176.600 0.026 0.000 0.918 326 E CA -0.472 56.040 56.400 0.187 0.000 0.773 326 E CB 2.487 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 0.174 123.125 122.820 0.217 0.000 2.588 327 A HA 0.862 5.182 4.320 -0.000 0.000 0.290 327 A C -1.158 176.605 177.584 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 -0.786 118.648 119.300 0.223 0.000 3.303 328 C HA 0.689 5.149 4.460 -0.000 0.000 0.340 328 C C -1.630 173.441 174.990 0.136 0.000 1.274 328 C CA -0.998 58.142 59.018 0.205 0.000 1.234 328 C CB 0.799 28.676 27.740 0.228 0.000 1.532 328 C HN 0.847 nan 8.230 nan 0.000 0.483 329 D N 0.971 121.428 120.400 0.096 0.000 2.302 329 D HA 0.542 5.182 4.640 -0.000 0.000 0.248 329 D C -0.474 175.859 176.300 0.056 0.000 1.094 329 D CA 0.138 54.196 54.000 0.096 0.000 0.897 329 D CB 2.113 42.970 40.800 0.095 0.000 1.200 329 D HN 0.521 nan 8.370 nan 0.000 0.429 330 V N 0.753 120.730 119.914 0.105 0.000 2.604 330 V HA 0.649 4.769 4.120 -0.000 0.000 0.305 330 V C 0.382 176.522 176.094 0.078 0.000 1.043 330 V CA -0.697 61.612 62.300 0.016 0.000 0.888 330 V CB 2.182 33.998 31.823 -0.013 0.000 0.995 330 V HN 0.667 nan 8.190 nan 0.000 0.429 331 G N 2.766 111.501 108.800 -0.108 0.000 2.609 331 G HA2 0.639 4.599 3.960 -0.000 0.000 0.308 331 G HA3 0.639 4.599 3.960 -0.000 0.000 0.308 331 G C -1.258 173.631 174.900 -0.018 0.000 1.369 331 G CA -0.406 44.705 45.100 0.018 0.000 0.958 331 G HN 0.404 nan 8.290 nan 0.000 0.499 332 F N 2.276 122.409 119.950 0.305 0.000 2.413 332 F HA 0.563 5.090 4.527 -0.000 0.000 0.359 332 F C 0.940 176.966 175.800 0.376 0.000 1.122 332 F CA -0.255 57.975 58.000 0.383 0.000 1.160 332 F CB 1.097 40.347 39.000 0.417 0.000 1.146 332 F HN 0.534 nan 8.300 nan 0.000 0.514 333 R N 1.235 122.023 120.500 0.480 0.000 2.664 333 R HA 0.482 4.822 4.340 -0.000 0.000 0.266 333 R C -1.722 174.720 176.300 0.236 0.000 1.046 333 R CA -1.113 55.120 56.100 0.221 0.000 0.885 333 R CB 1.537 31.987 30.300 0.251 0.000 1.254 333 R HN 0.467 nan 8.270 nan 0.000 0.465 334 E N 2.019 122.262 120.200 0.072 0.000 2.199 334 E HA 0.462 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 55.518 56.400 0.172 0.000 0.759 334 E CB 2.118 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 5.526 125.499 119.914 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 -0.531 61.801 62.300 0.054 0.000 0.850 335 V CB 1.128 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 4.421 124.953 120.500 0.052 0.000 2.680 336 R HA 0.691 5.031 4.340 -0.000 0.000 0.269 336 R C -2.007 174.315 176.300 0.038 0.000 1.026 336 R CA -0.869 55.264 56.100 0.053 0.000 0.889 336 R CB 1.715 32.059 30.300 0.073 0.000 1.241 336 R HN 0.509 nan 8.270 nan 0.000 0.463 337 I N 1.968 122.560 120.570 0.037 0.000 2.312 337 I HA 0.305 4.475 4.170 -0.000 0.000 0.290 337 I C -0.512 175.624 176.117 0.031 0.000 1.008 337 I CA -0.279 61.038 61.300 0.028 0.000 1.226 337 I CB 1.617 39.634 38.000 0.030 0.000 1.371 337 I HN 0.704 nan 8.210 nan 0.000 0.468 338 E N 6.437 126.652 120.200 0.025 0.000 2.263 338 E HA 0.232 4.582 4.350 -0.000 0.000 0.268 338 E C -0.248 176.363 176.600 0.018 0.000 0.884 338 E CA -0.638 55.778 56.400 0.027 0.000 0.766 338 E CB 1.078 30.798 29.700 0.034 0.000 1.196 338 E HN 0.528 nan 8.360 nan 0.000 0.416 339 N N 3.367 122.077 118.700 0.018 0.000 2.727 339 N HA -0.236 4.504 4.740 -0.000 0.000 0.249 339 N C 0.470 175.984 175.510 0.008 0.000 1.048 339 N CA 2.091 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 -2.204 106.601 108.800 0.007 0.000 2.176 340 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.253 340 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.253 340 G C -0.072 174.822 174.900 -0.009 0.000 0.979 340 G CA 0.512 45.612 45.100 0.000 0.000 0.641 340 G HN 0.491 nan 8.290 nan 0.000 0.530 341 L N -0.019 121.200 121.223 -0.007 0.000 2.362 341 L HA 0.740 5.080 4.340 -0.000 0.000 0.271 341 L C -0.051 176.809 176.870 -0.016 0.000 1.002 341 L CA -1.351 53.478 54.840 -0.018 0.000 0.818 341 L CB 1.903 43.950 42.059 -0.019 0.000 1.298 341 L HN 0.089 nan 8.230 nan 0.000 0.420 342 L N 3.984 125.186 121.223 -0.035 0.000 2.278 342 L HA 0.502 4.842 4.340 -0.000 0.000 0.287 342 L C -0.915 175.932 176.870 -0.038 0.000 1.072 342 L CA 0.325 55.144 54.840 -0.035 0.000 0.819 342 L CB 0.479 42.505 42.059 -0.056 0.000 1.176 342 L HN 0.390 nan 8.230 nan 0.000 0.435 343 L N 5.942 127.158 121.223 -0.012 0.000 2.342 343 L HA 0.578 4.918 4.340 -0.000 0.000 0.271 343 L C -0.809 176.067 176.870 0.009 0.000 1.008 343 L CA -0.759 54.082 54.840 0.003 0.000 0.818 343 L CB 1.990 44.072 42.059 0.038 0.000 1.296 343 L HN 0.575 nan 8.230 nan 0.000 0.427 344 L N 3.316 124.553 121.223 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 -0.259 54.608 54.840 0.044 0.000 0.833 344 L CB 0.975 43.050 42.059 0.028 0.000 1.236 344 L HN 0.659 nan 8.230 nan 0.000 0.410 345 N N 4.112 122.760 118.700 -0.087 0.000 2.716 345 N HA -0.223 4.517 4.740 -0.000 0.000 0.250 345 N C 0.817 176.124 175.510 -0.337 0.000 1.033 345 N CA 1.403 54.167 53.050 -0.477 0.000 0.727 345 N CB -1.069 37.015 38.487 -0.672 0.000 0.950 345 N HN 1.153 nan 8.380 nan 0.000 0.541 346 G N -2.156 106.667 108.800 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 45.859 45.100 0.146 0.000 0.619 346 G HN 0.479 nan 8.290 nan 0.000 0.510 347 K N 1.232 121.671 120.400 0.065 0.000 2.139 347 K HA 0.597 4.917 4.320 -0.000 0.000 0.243 347 K C -3.041 173.546 176.600 -0.023 0.000 0.983 347 K CA -2.010 54.270 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 0.313 nan 4.420 nan 0.000 0.297 348 P C -0.238 177.004 177.300 -0.097 0.000 1.331 348 P CA -0.376 62.684 63.100 -0.067 0.000 0.803 348 P CB 0.685 32.347 31.700 -0.063 0.000 0.929 349 L N 3.410 124.569 121.223 -0.106 0.000 2.466 349 L HA 0.347 4.687 4.340 -0.000 0.000 0.257 349 L C 0.467 177.258 176.870 -0.132 0.000 1.189 349 L CA -0.615 54.150 54.840 -0.126 0.000 0.813 349 L CB 0.426 42.376 42.059 -0.183 0.000 1.118 349 L HN 0.235 nan 8.230 nan 0.000 0.471 350 L N 3.116 124.274 121.223 -0.108 0.000 2.485 350 L HA 0.398 4.738 4.340 -0.000 0.000 0.260 350 L C -0.606 176.211 176.870 -0.090 0.000 0.998 350 L CA -0.269 54.494 54.840 -0.128 0.000 0.883 350 L CB 0.868 42.882 42.059 -0.074 0.000 1.196 350 L HN 0.213 nan 8.230 nan 0.000 0.443 351 I N 4.319 124.769 120.570 -0.199 0.000 2.505 351 I HA 0.148 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 0.313 61.499 61.300 -0.190 0.000 1.387 351 I CB 0.290 38.052 38.000 -0.397 0.000 1.404 351 I HN 0.532 nan 8.210 nan 0.000 0.528 352 R N 4.788 125.301 120.500 0.022 0.000 2.937 352 R HA 0.465 4.805 4.340 -0.000 0.000 0.264 352 R C 0.537 176.914 176.300 0.129 0.000 1.334 352 R CA -0.265 55.882 56.100 0.078 0.000 1.516 352 R CB 0.813 31.028 30.300 -0.142 0.000 1.187 352 R HN 0.782 nan 8.270 nan 0.000 0.609 353 G N 0.017 108.841 108.800 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 -1.277 173.927 174.900 0.507 0.000 1.217 353 G CA -0.508 44.645 45.100 0.087 0.000 0.989 353 G HN 0.228 nan 8.290 nan 0.000 0.490 354 V N -0.238 120.012 119.914 0.560 0.000 3.048 354 V HA 0.483 4.603 4.120 -0.000 0.000 0.303 354 V C -1.312 174.941 176.094 0.265 0.000 1.214 354 V CA -1.193 61.319 62.300 0.352 0.000 0.984 354 V CB 2.290 34.071 31.823 -0.070 0.000 1.054 354 V HN 0.774 nan 8.190 nan 0.000 0.430 355 N N 3.874 122.635 118.700 0.101 0.000 2.498 355 N HA 0.553 5.293 4.740 -0.000 0.000 0.287 355 N C -0.832 174.490 175.510 -0.313 0.000 1.097 355 N CA -0.439 52.537 53.050 -0.123 0.000 0.973 355 N CB 1.800 40.222 38.487 -0.108 0.000 1.153 355 N HN 0.686 nan 8.380 nan 0.000 0.472 356 R N 1.588 121.862 120.500 -0.377 0.000 2.522 356 R HA 0.247 4.587 4.340 -0.000 0.000 0.283 356 R C -1.196 174.867 176.300 -0.395 0.000 1.074 356 R CA -0.553 55.346 56.100 -0.334 0.000 0.925 356 R CB 1.020 31.129 30.300 -0.318 0.000 1.205 356 R HN 0.579 nan 8.270 nan 0.000 0.436 357 H N 2.001 120.943 119.070 -0.215 0.000 2.495 357 H HA 0.186 4.742 4.556 -0.000 0.000 0.350 357 H C -0.533 174.795 175.328 0.000 0.000 1.202 357 H CA -0.217 55.786 56.048 -0.074 0.000 1.322 357 H CB 1.644 31.415 29.762 0.014 0.000 1.544 357 H HN 0.567 nan 8.280 nan 0.000 0.565 358 E N 1.631 122.026 120.200 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 0.226 30.025 29.700 0.165 0.000 1.083 358 E HN 0.390 nan 8.360 nan 0.000 0.402 359 H N 1.564 120.683 119.070 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 55.397 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 6.501 125.197 119.070 -0.623 0.000 2.744 360 H HA 0.202 4.758 4.556 -0.000 0.000 0.339 360 H C -2.224 172.660 175.328 -0.741 0.000 1.004 360 H CA -2.452 53.289 56.048 -0.511 0.000 1.257 360 H CB 2.495 32.091 29.762 -0.276 0.000 1.552 360 H HN 0.563 nan 8.280 nan 0.000 0.522 361 P HA -0.135 nan 4.420 nan 0.000 0.218 361 P C 1.207 178.378 177.300 -0.215 0.000 1.146 361 P CA 1.012 63.893 63.100 -0.365 0.000 0.813 361 P CB 0.750 32.264 31.700 -0.309 0.000 0.778 362 L N -2.125 119.108 121.223 0.017 0.000 2.349 362 L HA 0.105 4.445 4.340 -0.000 0.000 0.200 362 L C 2.464 179.273 176.870 -0.103 0.000 1.064 362 L CA 0.615 55.416 54.840 -0.065 0.000 0.821 362 L CB -0.758 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 -0.308 118.731 119.070 -0.051 0.000 2.551 363 H HA 0.186 4.742 4.556 -0.000 0.000 0.266 363 H C 1.461 176.671 175.328 -0.197 0.000 0.977 363 H CA 0.133 56.033 56.048 -0.246 0.000 1.163 363 H CB 0.304 29.798 29.762 -0.448 0.000 1.381 363 H HN 0.447 nan 8.280 nan 0.000 0.581 364 G N 1.435 110.155 108.800 -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 0.498 175.311 174.900 -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 0.296 176.330 176.000 0.058 0.000 0.896 365 Q CA -0.045 55.713 55.803 -0.075 0.000 0.950 365 Q CB 0.766 29.353 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 -0.205 62.153 62.300 0.096 0.000 0.925 366 V CB 1.036 32.871 31.823 0.019 0.000 0.985 366 V HN 0.325 nan 8.190 nan 0.000 0.466 367 M N 4.414 124.045 119.600 0.053 0.000 2.528 367 M HA 0.581 5.061 4.480 -0.000 0.000 0.318 367 M C -0.563 175.681 176.300 -0.095 0.000 1.195 367 M CA -0.546 54.743 55.300 -0.018 0.000 1.000 367 M CB 1.651 34.207 32.600 -0.073 0.000 1.615 367 M HN 0.965 nan 8.290 nan 0.000 0.469 368 D N -2.123 118.235 120.400 -0.070 0.000 2.655 368 D HA 0.235 4.875 4.640 -0.000 0.000 0.229 368 D C 0.249 176.541 176.300 -0.014 0.000 1.229 368 D CA -0.702 53.261 54.000 -0.063 0.000 0.807 368 D CB 1.421 42.219 40.800 -0.004 0.000 1.514 368 D HN 0.674 nan 8.370 nan 0.000 0.444 369 E N 0.317 120.517 120.200 0.001 0.000 2.082 369 E HA -0.432 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 -0.654 119.197 119.800 0.085 0.000 2.047 370 Q HA -0.233 4.107 4.340 -0.000 0.000 0.211 370 Q C 2.365 178.429 176.000 0.107 0.000 1.005 370 Q CA 2.704 58.564 55.803 0.095 0.000 0.866 370 Q CB -0.435 28.360 28.738 0.095 0.000 0.938 370 Q HN 0.436 nan 8.270 nan 0.000 0.414 371 T N 1.186 115.811 114.554 0.118 0.000 2.622 371 T HA -0.215 4.135 4.350 -0.000 0.000 0.266 371 T C 1.950 176.733 174.700 0.139 0.000 1.047 371 T CA 1.775 63.955 62.100 0.134 0.000 1.159 371 T CB -0.319 68.642 68.868 0.155 0.000 0.863 371 T HN 0.277 nan 8.240 nan 0.000 0.422 372 M N 0.652 120.338 119.600 0.145 0.000 2.151 372 M HA -0.182 4.298 4.480 -0.000 0.000 0.256 372 M C 2.495 178.923 176.300 0.215 0.000 1.072 372 M CA 1.717 57.172 55.300 0.259 0.000 1.090 372 M CB -1.011 31.771 32.600 0.305 0.000 1.294 372 M HN 0.116 nan 8.290 nan 0.000 0.415 373 V N -0.099 119.889 119.914 0.123 0.000 2.392 373 V HA -0.312 3.808 4.120 -0.000 0.000 0.249 373 V C 2.301 178.395 176.094 0.000 0.000 1.059 373 V CA 2.033 64.339 62.300 0.010 0.000 1.051 373 V CB -0.966 30.882 31.823 0.041 0.000 0.658 373 V HN 0.545 nan 8.190 nan 0.000 0.455 374 Q N -0.270 119.575 119.800 0.074 0.000 2.045 374 Q HA -0.283 4.057 4.340 -0.000 0.000 0.206 374 Q C 2.136 178.213 176.000 0.128 0.000 0.991 374 Q CA 2.266 58.126 55.803 0.095 0.000 0.851 374 Q CB -0.184 28.627 28.738 0.121 0.000 0.911 374 Q HN 0.644 nan 8.270 nan 0.000 0.418 375 D N 0.242 120.746 120.400 0.172 0.000 2.106 375 D HA -0.197 4.443 4.640 -0.000 0.000 0.191 375 D C 1.902 178.183 176.300 -0.031 0.000 0.997 375 D CA 1.280 55.390 54.000 0.184 0.000 0.834 375 D CB -0.375 40.516 40.800 0.152 0.000 0.956 375 D HN 0.330 nan 8.370 nan 0.000 0.448 376 I N 0.605 121.135 120.570 -0.066 0.000 2.118 376 I HA -0.281 3.889 4.170 -0.000 0.000 0.241 376 I C 2.527 178.523 176.117 -0.202 0.000 1.070 376 I CA 0.875 62.035 61.300 -0.234 0.000 1.327 376 I CB -0.362 37.393 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 1.369 56.204 54.840 -0.008 0.000 0.749 377 L CB -0.599 41.475 42.059 0.026 0.000 0.893 377 L HN 0.298 nan 8.230 nan 0.000 0.432 378 L N -0.928 120.383 121.223 0.146 0.000 1.989 378 L HA -0.278 4.062 4.340 -0.000 0.000 0.211 378 L C 2.760 179.788 176.870 0.264 0.000 1.071 378 L CA 1.601 56.606 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 -0.559 119.058 119.600 0.028 0.000 2.082 379 M HA -0.281 4.199 4.480 -0.000 0.000 0.258 379 M C 2.326 178.698 176.300 0.121 0.000 1.071 379 M CA 1.883 57.130 55.300 -0.087 0.000 1.103 379 M CB -0.557 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 -0.034 0.000 1.048 380 K CA 1.654 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 0.172 120.116 119.800 0.239 0.000 2.291 381 Q HA -0.052 4.288 4.340 -0.000 0.000 0.205 381 Q C 0.862 177.147 176.000 0.476 0.000 0.970 381 Q CA 0.737 56.802 55.803 0.436 0.000 0.876 381 Q CB 0.064 29.028 28.738 0.376 0.000 0.935 381 Q HN 0.304 nan 8.270 nan 0.000 0.455 382 N N 0.846 119.795 118.700 0.415 0.000 2.320 382 N HA 0.052 4.792 4.740 -0.000 0.000 0.237 382 N C -0.686 174.972 175.510 0.247 0.000 1.129 382 N CA -0.010 53.286 53.050 0.411 0.000 0.854 382 N CB 0.618 39.415 38.487 0.518 0.000 1.083 382 N HN 0.166 nan 8.380 nan 0.000 0.504 383 N N 0.193 119.022 118.700 0.216 0.000 2.776 383 N HA -0.178 4.562 4.740 -0.000 0.000 0.249 383 N C -0.881 174.542 175.510 -0.144 0.000 1.111 383 N CA 0.840 53.929 53.050 0.064 0.000 0.711 383 N CB -1.772 36.636 38.487 -0.132 0.000 1.065 383 N HN 0.260 nan 8.380 nan 0.000 0.556 384 F N 0.987 120.951 119.950 0.024 0.000 2.399 384 F HA 0.386 4.913 4.527 -0.000 0.000 0.328 384 F C 1.752 177.547 175.800 -0.008 0.000 1.084 384 F CA -0.567 57.434 58.000 0.001 0.000 1.053 384 F CB 0.919 39.897 39.000 -0.038 0.000 1.209 384 F HN 0.048 nan 8.300 nan 0.000 0.502 385 N N 0.292 119.116 118.700 0.208 0.000 2.118 385 N HA 0.435 5.175 4.740 -0.000 0.000 0.226 385 N C -0.885 174.693 175.510 0.113 0.000 1.305 385 N CA 0.032 53.139 53.050 0.095 0.000 0.890 385 N CB 0.742 39.327 38.487 0.164 0.000 1.118 385 N HN 0.485 nan 8.380 nan 0.000 0.511 386 A N -0.437 122.513 122.820 0.216 0.000 2.606 386 A HA 0.784 5.104 4.320 -0.000 0.000 0.293 386 A C -1.708 176.101 177.584 0.375 0.000 1.082 386 A CA -0.595 51.628 52.037 0.309 0.000 0.685 386 A CB 1.727 20.958 19.000 0.385 0.000 1.284 386 A HN 0.375 nan 8.150 nan 0.000 0.408 387 V N 0.689 120.859 119.914 0.426 0.000 3.012 387 V HA 0.836 4.956 4.120 -0.000 0.000 0.307 387 V C -0.932 175.269 176.094 0.178 0.000 1.166 387 V CA -0.730 61.772 62.300 0.337 0.000 0.974 387 V CB 1.993 33.910 31.823 0.156 0.000 1.040 387 V HN 1.181 nan 8.190 nan 0.000 0.428 388 R N 4.486 124.936 120.500 -0.083 0.000 2.387 388 R HA 0.511 4.851 4.340 -0.000 0.000 0.314 388 R C -0.830 175.319 176.300 -0.251 0.000 0.958 388 R CA -0.484 55.410 56.100 -0.344 0.000 0.846 388 R CB 1.223 31.057 30.300 -0.775 0.000 1.147 388 R HN 0.859 nan 8.270 nan 0.000 0.447 389 C N 4.278 123.460 119.300 -0.197 0.000 3.183 389 C HA 0.106 4.566 4.460 -0.000 0.000 0.545 389 C C 0.550 175.243 174.990 -0.495 0.000 1.044 389 C CA -0.467 58.382 59.018 -0.283 0.000 1.117 389 C CB -2.140 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 1.489 116.769 115.700 -0.700 0.000 2.465 390 S HA 0.186 4.656 4.470 -0.000 0.000 0.280 390 S C -0.114 173.558 174.600 -1.547 0.000 1.232 390 S CA 0.110 57.593 58.200 -1.194 0.000 1.066 390 S CB 0.098 62.532 63.200 -1.277 0.000 0.929 390 S HN 0.739 nan 8.310 nan 0.000 0.494 391 H N 3.432 121.853 119.070 -1.081 0.000 2.597 391 H HA 0.297 4.853 4.556 -0.000 0.000 0.225 391 H C -1.190 173.995 175.328 -0.239 0.000 1.422 391 H CA -0.360 55.447 56.048 -0.403 0.000 1.335 391 H CB -0.099 29.635 29.762 -0.046 0.000 1.783 391 H HN 0.890 nan 8.280 nan 0.000 0.513 392 Y N -2.697 117.703 120.300 0.167 0.000 2.774 392 Y HA 0.438 4.988 4.550 -0.000 0.000 0.346 392 Y C -3.305 172.695 175.900 0.166 0.000 1.222 392 Y CA -3.041 55.164 58.100 0.175 0.000 1.088 392 Y CB 0.009 38.576 38.460 0.179 0.000 1.354 392 Y HN -0.109 nan 8.280 nan 0.000 0.455 393 P HA 0.221 nan 4.420 nan 0.000 0.271 393 P C -0.757 176.836 177.300 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 0.500 0.000 2.491 394 N HA 0.111 4.851 4.740 -0.000 0.000 0.279 394 N C 0.004 175.764 175.510 0.416 0.000 1.236 394 N CA -0.624 52.621 53.050 0.326 0.000 0.982 394 N CB 0.387 38.815 38.487 -0.098 0.000 1.194 394 N HN 0.585 nan 8.380 nan 0.000 0.582 395 H N 2.209 121.390 119.070 0.184 0.000 3.046 395 H HA 0.027 4.583 4.556 -0.000 0.000 0.303 395 H C -1.717 173.815 175.328 0.340 0.000 1.002 395 H CA -1.122 55.044 56.048 0.197 0.000 1.460 395 H CB 0.911 30.741 29.762 0.112 0.000 1.493 395 H HN 0.419 nan 8.280 nan 0.000 0.559 396 P HA -0.282 nan 4.420 nan 0.000 0.219 396 P C 1.881 179.496 177.300 0.525 0.000 1.158 396 P CA 1.019 64.338 63.100 0.364 0.000 0.895 396 P CB 0.155 31.872 31.700 0.028 0.000 0.792 397 L N -1.178 120.422 121.223 0.629 0.000 2.081 397 L HA -0.139 4.201 4.340 -0.000 0.000 0.212 397 L C 2.414 179.532 176.870 0.415 0.000 1.080 397 L CA 1.668 56.819 54.840 0.518 0.000 0.754 397 L CB -1.430 40.939 42.059 0.516 0.000 0.893 397 L HN 0.086 nan 8.230 nan 0.000 0.433 398 W N -0.282 121.125 121.300 0.179 0.000 2.290 398 W HA -0.408 4.252 4.660 -0.000 0.000 0.328 398 W C 2.314 178.745 176.519 -0.145 0.000 1.272 398 W CA 2.270 59.569 57.345 -0.077 0.000 1.262 398 W CB -0.594 28.679 29.460 -0.312 0.000 1.151 398 W HN 0.285 nan 8.180 nan 0.000 0.473 399 Y N 0.709 120.986 120.300 -0.038 0.000 2.193 399 Y HA -0.283 4.267 4.550 -0.000 0.000 0.285 399 Y C 2.834 178.513 175.900 -0.368 0.000 1.166 399 Y CA 2.255 60.089 58.100 -0.444 0.000 1.181 399 Y CB -1.470 36.429 38.460 -0.934 0.000 0.976 399 Y HN -0.143 nan 8.280 nan 0.000 0.520 400 T N 0.569 115.161 114.554 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 1.379 63.569 62.100 0.150 0.000 1.146 400 T CB -0.571 68.434 68.868 0.228 0.000 0.865 400 T HN 0.231 nan 8.240 nan 0.000 0.435 401 L N 0.460 121.696 121.223 0.022 0.000 2.042 401 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 401 L C 2.908 179.777 176.870 -0.000 0.000 1.076 401 L CA 1.068 55.944 54.840 0.060 0.000 0.749 401 L CB -0.776 41.298 42.059 0.026 0.000 0.893 401 L HN 0.388 nan 8.230 nan 0.000 0.432 402 C N -0.343 118.786 119.300 -0.284 0.000 2.425 402 C HA -0.152 4.308 4.460 -0.000 0.000 0.277 402 C C 2.447 177.450 174.990 0.022 0.000 1.280 402 C CA 0.390 59.253 59.018 -0.258 0.000 1.744 402 C CB -0.829 26.630 27.740 -0.468 0.000 1.989 402 C HN 0.546 nan 8.230 nan 0.000 0.491 403 D N 0.419 120.834 120.400 0.024 0.000 2.123 403 D HA -0.118 4.522 4.640 -0.000 0.000 0.196 403 D C 2.352 178.804 176.300 0.254 0.000 0.992 403 D CA 1.314 55.391 54.000 0.129 0.000 0.833 403 D CB -0.322 40.525 40.800 0.079 0.000 0.954 403 D HN 0.469 nan 8.370 nan 0.000 0.455 404 R N -0.852 119.704 120.500 0.094 0.000 2.075 404 R HA -0.019 4.321 4.340 -0.000 0.000 0.226 404 R C 2.318 178.530 176.300 -0.147 0.000 1.114 404 R CA 0.752 56.831 56.100 -0.035 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 -0.781 119.527 120.300 0.013 0.000 2.337 405 Y HA 0.129 4.679 4.550 -0.000 0.000 0.293 405 Y C 0.954 176.780 175.900 -0.123 0.000 1.123 405 Y CA 0.932 59.008 58.100 -0.039 0.000 1.201 405 Y CB 0.569 38.974 38.460 -0.092 0.000 1.011 405 Y HN 0.259 nan 8.280 nan 0.000 0.545 406 G N 1.045 109.865 108.800 0.033 0.000 2.943 406 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.250 406 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.250 406 G C -1.161 173.567 174.900 -0.286 0.000 0.996 406 G CA -0.631 44.349 45.100 -0.200 0.000 1.248 406 G HN 0.121 nan 8.290 nan 0.000 0.589 407 L N 0.960 122.082 121.223 -0.168 0.000 2.464 407 L HA 0.467 4.807 4.340 -0.000 0.000 0.266 407 L C -0.058 176.756 176.870 -0.094 0.000 0.965 407 L CA -1.220 53.477 54.840 -0.238 0.000 0.833 407 L CB 2.045 43.988 42.059 -0.192 0.000 1.296 407 L HN 0.438 nan 8.230 nan 0.000 0.405 408 Y N 2.063 122.462 120.300 0.164 0.000 2.359 408 Y HA 0.381 4.931 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 1.273 39.847 38.460 0.190 0.000 1.234 408 Y HN 0.163 nan 8.280 nan 0.000 0.522 409 V N 3.722 123.803 119.914 0.278 0.000 2.735 409 V HA 0.385 4.505 4.120 -0.000 0.000 0.310 409 V C -0.738 175.422 176.094 0.110 0.000 1.061 409 V CA -1.046 61.358 62.300 0.174 0.000 0.913 409 V CB 2.107 33.989 31.823 0.099 0.000 1.005 409 V HN 0.454 nan 8.190 nan 0.000 0.428 410 V N 2.592 122.550 119.914 0.073 0.000 2.328 410 V HA 0.352 4.472 4.120 -0.000 0.000 0.278 410 V C -0.399 175.725 176.094 0.049 0.000 1.021 410 V CA -0.448 61.853 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 4.053 124.510 120.400 0.095 0.000 2.312 411 D HA 0.295 4.935 4.640 -0.000 0.000 0.252 411 D C -0.181 176.290 176.300 0.285 0.000 1.150 411 D CA 0.091 54.242 54.000 0.251 0.000 0.870 411 D CB 1.211 42.200 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 -1.115 175.620 176.600 0.225 0.000 0.877 412 E CA -1.075 55.454 56.400 0.215 0.000 0.758 412 E CB 1.388 31.169 29.700 0.135 0.000 1.170 412 E HN 0.451 nan 8.360 nan 0.000 0.415 413 A N 3.732 126.680 122.820 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 51.875 52.037 0.181 0.000 0.777 413 A CB 0.178 19.253 19.000 0.124 0.000 1.013 413 A HN 0.685 nan 8.150 nan 0.000 0.493 414 N N 1.457 120.285 118.700 0.213 0.000 2.971 414 N HA 0.202 4.942 4.740 -0.000 0.000 0.294 414 N C -0.947 174.685 175.510 0.203 0.000 1.210 414 N CA 0.239 53.443 53.050 0.257 0.000 1.157 414 N CB -0.877 37.769 38.487 0.265 0.000 1.450 414 N HN 0.472 nan 8.380 nan 0.000 0.527 415 I N 0.748 121.431 120.570 0.189 0.000 2.529 415 I HA 0.263 4.433 4.170 -0.000 0.000 0.284 415 I C -0.587 175.616 176.117 0.144 0.000 1.088 415 I CA -0.660 60.732 61.300 0.153 0.000 1.062 415 I CB 1.874 39.939 38.000 0.108 0.000 1.218 415 I HN 0.210 nan 8.210 nan 0.000 0.442 416 E N 4.217 124.499 120.200 0.137 0.000 2.278 416 E HA 0.399 4.749 4.350 -0.000 0.000 0.272 416 E C -0.448 176.211 176.600 0.099 0.000 0.890 416 E CA -0.443 56.011 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 0.962 175.708 174.700 0.077 0.000 1.010 417 T CA -0.247 61.928 62.100 0.125 0.000 0.928 417 T CB -0.313 68.605 68.868 0.083 0.000 1.154 417 T HN 0.679 nan 8.240 nan 0.000 0.516 418 H N 1.281 120.269 119.070 -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 1.616 57.544 56.048 -0.201 0.000 1.226 418 H CB -0.266 29.340 29.762 -0.260 0.000 1.355 418 H HN 0.579 nan 8.280 nan 0.000 0.485 419 G N 0.247 108.898 108.800 -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 0.340 4.820 4.480 -0.000 0.000 0.288 420 M C -0.300 176.032 176.300 0.053 0.000 1.225 420 M CA 0.097 55.484 55.300 0.146 0.000 1.148 420 M CB 1.023 33.663 32.600 0.067 0.000 1.388 420 M HN -0.163 nan 8.290 nan 0.000 0.469 421 V N 1.922 121.846 119.914 0.017 0.000 2.624 421 V HA 0.280 4.400 4.120 -0.000 0.000 0.294 421 V C -2.201 173.882 176.094 -0.018 0.000 1.077 421 V CA -1.291 61.006 62.300 -0.005 0.000 0.905 421 V CB 1.978 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 0.265 nan 4.420 nan 0.000 0.274 422 P C 1.136 178.431 177.300 -0.009 0.000 1.246 422 P CA -0.522 62.569 63.100 -0.014 0.000 0.795 422 P CB 0.819 32.512 31.700 -0.011 0.000 1.006 423 M N 1.199 120.798 119.600 -0.001 0.000 2.192 423 M HA -0.257 4.223 4.480 -0.000 0.000 0.256 423 M C 1.117 177.424 176.300 0.012 0.000 1.076 423 M CA 2.244 57.550 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 0.404 nan 8.290 nan 0.000 0.406 424 N N -0.224 118.483 118.700 0.012 0.000 2.268 424 N HA -0.062 4.678 4.740 -0.000 0.000 0.204 424 N C 1.153 176.625 175.510 -0.064 0.000 1.124 424 N CA 0.184 53.238 53.050 0.006 0.000 0.838 424 N CB -0.660 37.852 38.487 0.043 0.000 0.994 424 N HN 0.405 nan 8.380 nan 0.000 0.489 425 R N 0.641 121.093 120.500 -0.080 0.000 2.134 425 R HA -0.087 4.253 4.340 -0.000 0.000 0.248 425 R C 1.583 177.757 176.300 -0.210 0.000 1.143 425 R CA 1.722 57.750 56.100 -0.121 0.000 0.957 425 R CB -0.145 30.084 30.300 -0.118 0.000 0.867 425 R HN 0.297 nan 8.270 nan 0.000 0.441 426 L N -0.806 120.225 121.223 -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 1.390 55.896 54.840 -0.556 0.000 0.761 426 L CB -0.757 40.720 42.059 -0.969 0.000 0.921 426 L HN 0.401 nan 8.230 nan 0.000 0.444 427 T N -3.698 110.707 114.554 -0.248 0.000 2.897 427 T HA -0.225 4.125 4.350 -0.000 0.000 0.271 427 T C 1.229 175.806 174.700 -0.206 0.000 1.084 427 T CA 1.485 63.425 62.100 -0.265 0.000 1.123 427 T CB -0.366 68.310 68.868 -0.321 0.000 0.865 427 T HN 0.116 nan 8.240 nan 0.000 0.496 428 D N 1.407 121.727 120.400 -0.135 0.000 2.358 428 D HA 0.154 4.794 4.640 -0.000 0.000 0.224 428 D C -0.547 175.720 176.300 -0.055 0.000 1.123 428 D CA -0.217 53.725 54.000 -0.097 0.000 0.833 428 D CB -0.062 40.695 40.800 -0.072 0.000 0.946 428 D HN 0.362 nan 8.370 nan 0.000 0.505 429 D N -0.613 119.770 120.400 -0.028 0.000 2.549 429 D HA 0.185 4.825 4.640 -0.000 0.000 0.251 429 D C -1.829 174.537 176.300 0.111 0.000 1.153 429 D CA -2.294 51.741 54.000 0.057 0.000 0.861 429 D CB 2.198 43.069 40.800 0.117 0.000 1.207 429 D HN -0.156 nan 8.370 nan 0.000 0.543 430 P HA -0.206 nan 4.420 nan 0.000 0.218 430 P C 1.164 178.472 177.300 0.013 0.000 1.154 430 P CA 1.261 64.371 63.100 0.016 0.000 0.872 430 P CB 0.316 32.015 31.700 -0.002 0.000 0.790 431 R N -1.825 118.690 120.500 0.025 0.000 2.139 431 R HA -0.157 4.183 4.340 -0.000 0.000 0.243 431 R C 1.916 178.079 176.300 -0.228 0.000 1.145 431 R CA 1.663 57.702 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 -0.580 120.658 121.300 -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 -0.500 176.343 176.870 -0.046 0.000 1.076 433 L CA 2.471 57.307 54.840 -0.006 0.000 0.772 433 L CB -1.983 40.057 42.059 -0.032 0.000 0.892 433 L HN -0.196 nan 8.230 nan 0.000 0.435 434 P HA -0.240 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 2.613 65.655 63.100 -0.097 0.000 0.887 434 P CB -0.402 31.233 31.700 -0.109 0.000 0.792 435 A N -0.519 122.265 122.820 -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 2.567 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 0.098 nan 8.150 nan 0.000 0.444 436 M N 0.364 119.980 119.600 0.027 0.000 2.108 436 M HA -0.182 4.298 4.480 -0.000 0.000 0.261 436 M C 2.457 178.703 176.300 -0.090 0.000 1.066 436 M CA 1.971 57.261 55.300 -0.018 0.000 1.107 436 M CB -0.800 31.769 32.600 -0.051 0.000 1.356 436 M HN 0.595 nan 8.290 nan 0.000 0.406 437 S N 0.456 116.076 115.700 -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 1.400 59.457 58.200 -0.237 0.000 1.042 437 S CB -0.721 62.324 63.200 -0.259 0.000 0.915 437 S HN 0.479 nan 8.310 nan 0.000 0.439 438 E N 1.274 121.367 120.200 -0.178 0.000 2.097 438 E HA -0.169 4.181 4.350 -0.000 0.000 0.196 438 E C 2.348 178.868 176.600 -0.134 0.000 1.000 438 E CA 1.019 57.325 56.400 -0.156 0.000 0.804 438 E CB -0.239 29.402 29.700 -0.097 0.000 0.740 438 E HN 0.500 nan 8.360 nan 0.000 0.454 439 R N 0.138 120.586 120.500 -0.087 0.000 2.120 439 R HA -0.109 4.231 4.340 -0.000 0.000 0.234 439 R C 2.390 178.649 176.300 -0.068 0.000 1.123 439 R CA 0.997 57.073 56.100 -0.040 0.000 0.975 439 R CB -0.036 30.274 30.300 0.017 0.000 0.866 439 R HN 0.026 nan 8.270 nan 0.000 0.446 440 V N 0.040 119.868 119.914 -0.143 0.000 2.374 440 V HA -0.182 3.938 4.120 -0.000 0.000 0.241 440 V C 2.399 178.341 176.094 -0.253 0.000 1.034 440 V CA 2.033 64.235 62.300 -0.163 0.000 1.037 440 V CB -0.397 31.320 31.823 -0.176 0.000 0.682 440 V HN 0.521 nan 8.190 nan 0.000 0.463 441 T N -0.171 114.110 114.554 -0.455 0.000 2.624 441 T HA -0.333 4.017 4.350 -0.000 0.000 0.268 441 T C 1.944 176.508 174.700 -0.227 0.000 1.041 441 T CA 1.892 63.654 62.100 -0.563 0.000 1.159 441 T CB -0.545 67.870 68.868 -0.755 0.000 0.863 441 T HN 0.387 nan 8.240 nan 0.000 0.434 442 R N 0.589 120.975 120.500 -0.190 0.000 2.091 442 R HA -0.005 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 -0.579 29.656 30.300 -0.108 0.000 0.856 442 R HN 0.529 nan 8.270 nan 0.000 0.437 443 M N 0.785 120.332 119.600 -0.089 0.000 2.080 443 M HA -0.181 4.299 4.480 -0.000 0.000 0.260 443 M C 1.952 178.197 176.300 -0.092 0.000 1.068 443 M CA 1.751 57.026 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 1.553 121.325 119.914 -0.237 0.000 2.295 444 V HA -0.307 3.813 4.120 -0.000 0.000 0.246 444 V C 2.404 178.396 176.094 -0.169 0.000 1.049 444 V CA 2.310 64.362 62.300 -0.413 0.000 1.024 444 V CB -1.208 30.332 31.823 -0.471 0.000 0.648 444 V HN 0.627 nan 8.190 nan 0.000 0.447 445 Q N 0.016 119.753 119.800 -0.105 0.000 2.226 445 Q HA -0.249 4.091 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 1.632 57.386 55.803 -0.081 0.000 0.866 445 Q CB -0.354 28.365 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 1.429 57.427 56.100 -0.169 0.000 0.966 446 R CB 0.320 30.516 30.300 -0.174 0.000 0.861 446 R HN 0.150 nan 8.270 nan 0.000 0.433 447 D N -0.016 120.369 120.400 -0.025 0.000 2.360 447 D HA -0.019 4.621 4.640 -0.000 0.000 0.210 447 D C 1.464 177.862 176.300 0.164 0.000 1.047 447 D CA 0.233 54.263 54.000 0.050 0.000 0.854 447 D CB 0.211 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 0.793 121.410 120.500 0.194 0.000 2.303 448 R HA -0.008 4.332 4.340 -0.000 0.000 0.225 448 R C 0.906 177.202 176.300 -0.007 0.000 1.114 448 R CA 1.066 57.294 56.100 0.214 0.000 1.007 448 R CB -0.413 29.979 30.300 0.153 0.000 0.861 448 R HN -0.036 nan 8.270 nan 0.000 0.471 449 N N 0.211 118.820 118.700 -0.151 0.000 2.280 449 N HA -0.014 4.726 4.740 -0.000 0.000 0.192 449 N C -0.526 174.841 175.510 -0.239 0.000 1.109 449 N CA 0.130 53.047 53.050 -0.222 0.000 0.855 449 N CB 0.153 38.453 38.487 -0.312 0.000 0.974 449 N HN 0.321 nan 8.380 nan 0.000 0.482 450 H N 1.570 120.552 119.070 -0.147 0.000 2.723 450 H HA 0.115 4.671 4.556 -0.000 0.000 0.294 450 H C -1.201 173.962 175.328 -0.275 0.000 1.079 450 H CA -1.329 54.616 56.048 -0.173 0.000 1.411 450 H CB 1.630 31.325 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 1.431 178.311 177.300 -0.700 0.000 1.148 451 P CA 1.319 64.072 63.100 -0.579 0.000 0.828 451 P CB 0.205 31.298 31.700 -1.012 0.000 0.783 452 S N -1.310 114.052 115.700 -0.563 0.000 2.442 452 S HA -0.036 4.434 4.470 -0.000 0.000 0.236 452 S C 1.050 175.613 174.600 -0.061 0.000 1.007 452 S CA 0.307 58.349 58.200 -0.264 0.000 0.965 452 S CB -1.405 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 3.564 123.404 119.914 -0.123 0.000 2.470 453 V HA 0.263 4.383 4.120 -0.000 0.000 0.276 453 V C 1.021 176.972 176.094 -0.240 0.000 1.040 453 V CA -0.076 62.119 62.300 -0.175 0.000 1.008 453 V CB 0.620 32.238 31.823 -0.342 0.000 0.990 453 V HN 0.625 nan 8.190 nan 0.000 0.477 454 I N 2.540 123.011 120.570 -0.164 0.000 4.327 454 I HA 0.525 4.695 4.170 -0.000 0.000 0.331 454 I C 0.202 176.196 176.117 -0.204 0.000 1.348 454 I CA 0.340 61.551 61.300 -0.148 0.000 1.152 454 I CB 0.519 38.512 38.000 -0.012 0.000 1.151 454 I HN 0.319 nan 8.210 nan 0.000 0.410 455 I N 0.491 120.906 120.570 -0.259 0.000 2.692 455 I HA 0.336 4.506 4.170 -0.000 0.000 0.293 455 I C -1.598 174.413 176.117 -0.178 0.000 1.200 455 I CA -0.398 60.799 61.300 -0.172 0.000 1.036 455 I CB 2.045 40.041 38.000 -0.007 0.000 1.258 455 I HN 0.038 nan 8.210 nan 0.000 0.421 456 W N 3.864 125.209 121.300 0.074 0.000 2.449 456 W HA 0.615 5.275 4.660 -0.000 0.000 0.331 456 W C 0.443 177.023 176.519 0.102 0.000 1.119 456 W CA -0.627 56.767 57.345 0.083 0.000 1.240 456 W CB 1.650 31.152 29.460 0.069 0.000 1.251 456 W HN 0.364 nan 8.180 nan 0.000 0.576 457 S N 2.798 118.728 115.700 0.383 0.000 2.557 457 S HA 0.398 4.868 4.470 -0.000 0.000 0.291 457 S C -0.090 174.675 174.600 0.276 0.000 1.116 457 S CA -0.756 57.617 58.200 0.288 0.000 0.992 457 S CB 0.789 64.112 63.200 0.207 0.000 1.028 457 S HN 0.567 nan 8.310 nan 0.000 0.484 458 L N 4.187 125.570 121.223 0.266 0.000 2.645 458 L HA 0.387 4.727 4.340 -0.000 0.000 0.235 458 L C 1.411 178.375 176.870 0.157 0.000 1.150 458 L CA 0.380 55.313 54.840 0.155 0.000 0.911 458 L CB -1.452 40.612 42.059 0.009 0.000 1.077 458 L HN 1.039 nan 8.230 nan 0.000 0.438 459 G N 0.131 109.085 108.800 0.255 0.000 2.297 459 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.209 459 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.209 459 G C -1.482 173.586 174.900 0.280 0.000 1.267 459 G CA -0.548 44.697 45.100 0.242 0.000 1.127 459 G HN 0.233 nan 8.290 nan 0.000 0.498 460 N N 0.332 119.146 118.700 0.189 0.000 2.598 460 N HA 0.451 5.191 4.740 -0.000 0.000 0.263 460 N C -0.461 175.004 175.510 -0.076 0.000 1.254 460 N CA 0.143 53.164 53.050 -0.047 0.000 0.863 460 N CB 1.389 39.571 38.487 -0.509 0.000 1.586 460 N HN 0.952 nan 8.380 nan 0.000 0.491 461 E N 0.273 120.322 120.200 -0.252 0.000 1.867 461 E HA -0.203 4.147 4.350 -0.000 0.000 0.164 461 E C -0.783 175.713 176.600 -0.174 0.000 1.355 461 E CA 0.692 56.866 56.400 -0.377 0.000 0.575 461 E CB -1.446 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 0.164 115.914 115.700 0.082 0.000 2.941 462 S HA 0.399 4.868 4.470 -0.000 0.000 0.251 462 S C 0.724 175.481 174.600 0.261 0.000 1.029 462 S CA -0.122 58.182 58.200 0.172 0.000 1.062 462 S CB 1.363 64.716 63.200 0.255 0.000 0.977 462 S HN 0.892 nan 8.310 nan 0.000 0.552 463 G N 1.981 110.880 108.800 0.165 0.000 2.575 463 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.267 463 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.267 463 G C -0.515 174.599 174.900 0.357 0.000 1.264 463 G CA -0.005 45.199 45.100 0.173 0.000 0.935 463 G HN 0.625 nan 8.290 nan 0.000 0.568 464 H N 0.435 119.630 119.070 0.209 0.000 2.840 464 H HA 0.577 5.133 4.556 -0.000 0.000 0.340 464 H C 0.115 175.619 175.328 0.294 0.000 1.004 464 H CA 0.060 56.259 56.048 0.252 0.000 1.288 464 H CB 1.021 30.858 29.762 0.126 0.000 1.607 464 H HN 1.263 nan 8.280 nan 0.000 0.522 465 G N 1.383 110.188 108.800 0.009 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 0.494 175.222 174.900 -0.288 0.000 1.341 465 G CA -0.143 44.817 45.100 -0.234 0.000 0.916 465 G HN 0.665 nan 8.290 nan 0.000 0.474 466 A N 0.602 123.300 122.820 -0.203 0.000 1.986 466 A HA -0.148 4.172 4.320 -0.000 0.000 0.220 466 A C 2.187 179.725 177.584 -0.075 0.000 1.171 466 A CA 2.207 54.179 52.037 -0.108 0.000 0.640 466 A CB -0.523 18.441 19.000 -0.060 0.000 0.811 466 A HN 0.566 nan 8.150 nan 0.000 0.451 467 N N -0.346 118.270 118.700 -0.141 0.000 2.137 467 N HA -0.182 4.558 4.740 -0.000 0.000 0.190 467 N C 1.416 176.851 175.510 -0.126 0.000 1.017 467 N CA 1.885 54.843 53.050 -0.155 0.000 0.859 467 N CB -0.724 37.636 38.487 -0.212 0.000 1.002 467 N HN 0.812 nan 8.380 nan 0.000 0.428 468 H N 0.395 119.407 119.070 -0.097 0.000 2.293 468 H HA -0.044 4.512 4.556 -0.000 0.000 0.300 468 H C 1.367 176.734 175.328 0.065 0.000 1.082 468 H CA 1.354 57.359 56.048 -0.071 0.000 1.308 468 H CB 0.065 29.771 29.762 -0.093 0.000 1.375 468 H HN 0.177 nan 8.280 nan 0.000 0.495 469 D N 0.517 121.050 120.400 0.222 0.000 2.116 469 D HA -0.192 4.448 4.640 -0.000 0.000 0.193 469 D C 2.313 178.755 176.300 0.235 0.000 0.998 469 D CA 1.343 55.475 54.000 0.220 0.000 0.836 469 D CB -0.564 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 2.464 180.153 177.584 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 0.216 nan 8.150 nan 0.000 0.445 471 L N -2.167 119.143 121.223 0.145 0.000 2.056 471 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 471 L C 2.601 179.611 176.870 0.234 0.000 1.078 471 L CA 1.741 56.668 54.840 0.144 0.000 0.749 471 L CB -0.809 41.272 42.059 0.037 0.000 0.901 471 L HN 0.611 nan 8.230 nan 0.000 0.433 472 Y N 0.951 121.330 120.300 0.131 0.000 2.081 472 Y HA -0.316 4.234 4.550 -0.000 0.000 0.280 472 Y C 2.919 178.898 175.900 0.131 0.000 1.163 472 Y CA 1.629 59.810 58.100 0.135 0.000 1.135 472 Y CB -0.234 38.306 38.460 0.134 0.000 0.970 472 Y HN -0.056 nan 8.280 nan 0.000 0.498 473 R N 0.010 120.641 120.500 0.219 0.000 2.083 473 R HA -0.250 4.090 4.340 -0.000 0.000 0.237 473 R C 2.118 178.419 176.300 0.002 0.000 1.137 473 R CA 2.015 58.164 56.100 0.082 0.000 0.951 473 R CB -1.696 28.726 30.300 0.203 0.000 0.851 473 R HN 0.687 nan 8.270 nan 0.000 0.434 474 W N 1.309 122.566 121.300 -0.071 0.000 2.318 474 W HA -0.209 4.451 4.660 -0.000 0.000 0.313 474 W C 1.943 178.368 176.519 -0.157 0.000 1.221 474 W CA 1.950 59.238 57.345 -0.095 0.000 1.266 474 W CB -0.422 28.986 29.460 -0.087 0.000 1.150 474 W HN 0.022 nan 8.180 nan 0.000 0.496 475 I N 0.614 121.175 120.570 -0.014 0.000 2.142 475 I HA -0.351 3.819 4.170 -0.000 0.000 0.240 475 I C 2.468 178.353 176.117 -0.386 0.000 1.078 475 I CA 1.432 62.553 61.300 -0.297 0.000 1.343 475 I CB -1.016 36.878 38.000 -0.177 0.000 1.046 475 I HN -0.092 nan 8.210 nan 0.000 0.405 476 K N 1.183 121.380 120.400 -0.337 0.000 2.089 476 K HA -0.173 4.147 4.320 -0.000 0.000 0.210 476 K C 2.219 178.668 176.600 -0.252 0.000 1.048 476 K CA 1.890 58.003 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 0.312 115.826 115.700 -0.309 0.000 2.395 477 S HA -0.035 4.435 4.470 -0.000 0.000 0.225 477 S C 2.226 176.595 174.600 -0.386 0.000 1.027 477 S CA 0.809 58.830 58.200 -0.297 0.000 0.965 477 S CB -0.130 62.906 63.200 -0.273 0.000 0.812 477 S HN -0.006 nan 8.310 nan 0.000 0.482 478 V N 1.381 120.925 119.914 -0.616 0.000 2.535 478 V HA 0.061 4.181 4.120 -0.000 0.000 0.246 478 V C 0.383 176.234 176.094 -0.406 0.000 1.045 478 V CA 1.236 63.154 62.300 -0.637 0.000 1.058 478 V CB -0.235 30.891 31.823 -1.162 0.000 0.689 478 V HN 0.392 nan 8.190 nan 0.000 0.461 479 D N -0.712 119.489 120.400 -0.332 0.000 2.358 479 D HA 0.273 4.913 4.640 -0.000 0.000 0.253 479 D C -2.273 174.004 176.300 -0.039 0.000 1.288 479 D CA -1.766 52.156 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 1.076 178.392 177.300 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 -0.507 115.221 115.700 0.047 0.000 2.489 481 S HA 0.030 4.500 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 -0.042 58.191 58.200 0.054 0.000 0.934 481 S CB -0.397 62.829 63.200 0.044 0.000 0.771 481 S HN 0.105 nan 8.310 nan 0.000 0.522 482 R N 0.952 121.500 120.500 0.081 0.000 2.744 482 R HA 0.635 4.975 4.340 -0.000 0.000 0.279 482 R C -3.222 173.142 176.300 0.106 0.000 0.977 482 R CA -2.407 53.712 56.100 0.032 0.000 0.906 482 R CB 1.065 31.267 30.300 -0.163 0.000 1.197 482 R HN 0.127 nan 8.270 nan 0.000 0.463 483 P HA 0.197 nan 4.420 nan 0.000 0.276 483 P C -0.796 176.607 177.300 0.171 0.000 1.252 483 P CA -0.531 62.633 63.100 0.106 0.000 0.802 483 P CB 0.784 32.531 31.700 0.078 0.000 1.035 484 V N 1.864 121.901 119.914 0.205 0.000 2.540 484 V HA 0.411 4.531 4.120 -0.000 0.000 0.302 484 V C 0.139 176.411 176.094 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 3.675 123.631 119.800 0.260 0.000 2.433 485 Q HA 0.822 5.162 4.340 -0.000 0.000 0.279 485 Q C -1.754 174.405 176.000 0.265 0.000 1.105 485 Q CA -0.976 54.952 55.803 0.208 0.000 0.815 485 Q CB 2.978 31.785 28.738 0.115 0.000 1.403 485 Q HN 0.662 nan 8.270 nan 0.000 0.435 486 Y N 0.190 120.508 120.300 0.030 0.000 2.376 486 Y HA 0.154 4.704 4.550 -0.000 0.000 0.321 486 Y C -0.370 175.480 175.900 -0.084 0.000 1.189 486 Y CA -0.643 57.443 58.100 -0.023 0.000 1.069 486 Y CB 2.097 40.538 38.460 -0.031 0.000 1.292 486 Y HN 0.951 nan 8.280 nan 0.000 0.430 487 E N 3.599 123.339 120.200 -0.766 0.000 2.250 487 E HA 0.115 4.465 4.350 -0.000 0.000 0.192 487 E C 0.735 176.876 176.600 -0.766 0.000 0.986 487 E CA 0.768 56.803 56.400 -0.608 0.000 0.849 487 E CB 0.175 29.636 29.700 -0.398 0.000 0.797 487 E HN 0.909 nan 8.360 nan 0.000 0.482 488 G N 0.062 107.963 108.800 -1.498 0.000 2.464 488 G HA2 0.157 4.117 3.960 -0.000 0.000 0.231 488 G HA3 0.157 4.117 3.960 -0.000 0.000 0.231 488 G C 0.808 175.543 174.900 -0.275 0.000 1.267 488 G CA 0.399 45.026 45.100 -0.788 0.000 0.863 488 G HN 0.390 nan 8.290 nan 0.000 0.559 489 G N -0.249 108.493 108.800 -0.096 0.000 2.198 489 G HA2 0.230 4.190 3.960 -0.000 0.000 0.260 489 G HA3 0.230 4.190 3.960 -0.000 0.000 0.260 489 G C 1.291 176.175 174.900 -0.026 0.000 1.025 489 G CA 1.000 46.104 45.100 0.006 0.000 0.769 489 G HN 2.638 nan 8.290 nan 0.000 0.507 490 G N -1.716 107.066 108.800 -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 1.329 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 -0.154 122.651 122.820 -0.025 0.000 3.413 491 A HA -0.113 4.207 4.320 -0.000 0.000 0.268 491 A C 1.092 178.623 177.584 -0.088 0.000 1.128 491 A CA 2.664 54.639 52.037 -0.103 0.000 1.062 491 A CB -1.810 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 -1.098 119.317 120.400 0.025 0.000 2.692 492 D HA 0.301 4.941 4.640 -0.000 0.000 0.290 492 D C 0.432 176.721 176.300 -0.019 0.000 1.455 492 D CA 0.840 54.862 54.000 0.036 0.000 0.796 492 D CB -1.154 39.797 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 1.032 69.540 68.868 -0.598 0.000 1.036 493 T HN 0.078 nan 8.240 nan 0.000 0.526 494 T N -2.143 112.270 114.554 -0.235 0.000 3.113 494 T HA 0.128 4.478 4.350 -0.000 0.000 0.263 494 T C 1.648 176.101 174.700 -0.411 0.000 1.143 494 T CA 0.599 62.574 62.100 -0.209 0.000 1.090 494 T CB -0.770 68.045 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 -0.419 0.000 0.870 495 A CB -0.111 18.899 19.000 0.017 0.000 0.927 495 A HN 0.492 nan 8.150 nan 0.000 0.497 496 T N -1.532 112.884 114.554 -0.231 0.000 2.912 496 T HA 0.386 4.736 4.350 -0.000 0.000 0.299 496 T C -0.562 174.168 174.700 0.050 0.000 1.052 496 T CA -0.465 61.642 62.100 0.012 0.000 0.996 496 T CB 1.320 70.191 68.868 0.005 0.000 1.070 496 T HN 0.076 nan 8.240 nan 0.000 0.465 497 D N 2.618 123.124 120.400 0.178 0.000 2.349 497 D HA 0.305 4.945 4.640 -0.000 0.000 0.215 497 D C 0.255 176.591 176.300 0.060 0.000 1.016 497 D CA 0.660 54.749 54.000 0.148 0.000 0.870 497 D CB 0.398 41.311 40.800 0.189 0.000 0.917 497 D HN 0.511 nan 8.370 nan 0.000 0.524 498 I N 0.474 121.060 120.570 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 -0.019 0.000 1.235 498 I HN -0.347 nan 8.210 nan 0.000 0.423 499 I N 4.907 125.374 120.570 -0.171 0.000 2.363 499 I HA 0.124 4.294 4.170 -0.000 0.000 0.292 499 I C -0.055 175.870 176.117 -0.320 0.000 1.075 499 I CA -0.165 60.947 61.300 -0.313 0.000 1.333 499 I CB 0.049 37.768 38.000 -0.468 0.000 1.415 499 I HN 0.599 nan 8.210 nan 0.000 0.502 500 C N 5.419 124.550 119.300 -0.281 0.000 3.273 500 C HA 0.503 4.963 4.460 -0.000 0.000 0.227 500 C C -2.190 172.666 174.990 -0.222 0.000 1.409 500 C CA -2.267 56.626 59.018 -0.208 0.000 1.516 500 C CB -0.890 26.783 27.740 -0.111 0.000 1.853 500 C HN 0.408 nan 8.230 nan 0.000 0.472 501 P HA 0.438 nan 4.420 nan 0.000 0.275 501 P C -0.514 176.719 177.300 -0.112 0.000 1.266 501 P CA -0.029 62.959 63.100 -0.186 0.000 0.793 501 P CB 0.693 32.281 31.700 -0.186 0.000 1.074 502 M N -0.886 118.676 119.600 -0.062 0.000 2.204 502 M HA 0.482 4.962 4.480 -0.000 0.000 0.293 502 M C -1.083 175.201 176.300 -0.026 0.000 0.994 502 M CA -0.633 54.546 55.300 -0.203 0.000 0.925 502 M CB 1.651 34.086 32.600 -0.276 0.000 1.577 502 M HN 0.353 nan 8.290 nan 0.000 0.439 503 Y N -0.325 120.125 120.300 0.249 0.000 4.729 503 Y HA -0.197 4.353 4.550 -0.000 0.000 0.239 503 Y C 0.489 176.543 175.900 0.256 0.000 1.043 503 Y CA 0.414 58.663 58.100 0.249 0.000 2.045 503 Y CB -2.165 36.412 38.460 0.195 0.000 1.599 503 Y HN 1.006 nan 8.280 nan 0.000 0.655 504 A N 1.092 124.119 122.820 0.345 0.000 2.425 504 A HA 0.615 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 0.409 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 1.096 177.364 176.300 -0.054 0.000 1.067 505 R CA -0.685 55.477 56.100 0.102 0.000 1.142 505 R CB 0.762 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 0.670 120.405 119.914 -0.298 0.000 2.270 506 V HA -0.212 3.908 4.120 -0.000 0.000 0.245 506 V C 0.867 176.844 176.094 -0.195 0.000 1.043 506 V CA 1.898 63.972 62.300 -0.377 0.000 1.014 506 V CB -0.227 31.264 31.823 -0.553 0.000 0.645 506 V HN 0.767 nan 8.190 nan 0.000 0.447 507 D N -1.424 118.896 120.400 -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 0.949 41.708 40.800 -0.068 0.000 1.019 507 D HN 0.553 nan 8.370 nan 0.000 0.507 508 E N 1.603 121.791 120.200 -0.019 0.000 2.179 508 E HA 0.197 4.547 4.350 -0.000 0.000 0.275 508 E C -1.035 175.569 176.600 0.007 0.000 0.945 508 E CA -0.621 55.776 56.400 -0.005 0.000 0.792 508 E CB 1.462 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 3.235 123.636 120.400 0.002 0.000 2.225 509 D HA 0.184 4.824 4.640 -0.000 0.000 0.249 509 D C -0.752 175.449 176.300 -0.164 0.000 1.052 509 D CA -0.026 53.967 54.000 -0.012 0.000 0.909 509 D CB 1.410 42.262 40.800 0.087 0.000 1.186 509 D HN 0.382 nan 8.370 nan 0.000 0.431 510 Q N 1.554 121.145 119.800 -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 2.455 30.806 28.738 -0.645 0.000 1.247 510 Q HN 0.119 nan 8.270 nan 0.000 0.491 511 P HA 0.066 nan 4.420 nan 0.000 0.220 511 P C -0.852 176.093 177.300 -0.592 0.000 1.806 511 P CA -0.135 62.540 63.100 -0.709 0.000 0.976 511 P CB -0.531 30.956 31.700 -0.357 0.000 1.952 512 F N 2.436 122.234 119.950 -0.254 0.000 2.459 512 F HA 0.261 4.788 4.527 -0.000 0.000 0.346 512 F C -1.216 174.478 175.800 -0.177 0.000 1.128 512 F CA -2.628 55.270 58.000 -0.171 0.000 1.268 512 F CB -0.454 38.462 39.000 -0.140 0.000 1.161 512 F HN 0.054 nan 8.300 nan 0.000 0.583 513 P HA 0.033 nan 4.420 nan 0.000 0.266 513 P C 0.387 177.702 177.300 0.025 0.000 1.195 513 P CA 0.970 64.085 63.100 0.026 0.000 0.768 513 P CB 1.011 32.728 31.700 0.028 0.000 0.838 514 A N 2.839 125.659 122.820 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 2.176 54.215 52.037 0.003 0.000 1.149 514 A CB -2.677 16.329 19.000 0.010 0.000 1.321 514 A HN 0.752 nan 8.150 nan 0.000 0.679 515 V N -3.561 116.351 119.914 -0.004 0.000 2.546 515 V HA 0.574 4.694 4.120 -0.000 0.000 0.260 515 V C -2.665 173.432 176.094 0.004 0.000 0.933 515 V CA -1.251 61.043 62.300 -0.011 0.000 0.994 515 V CB 0.898 32.724 31.823 0.005 0.000 1.160 515 V HN 0.439 nan 8.190 nan 0.000 0.523 516 P HA 0.345 nan 4.420 nan 0.000 0.274 516 P C -0.728 176.126 177.300 -0.743 0.000 1.237 516 P CA 0.051 62.796 63.100 -0.591 0.000 0.793 516 P CB 0.967 31.919 31.700 -1.247 0.000 0.977 517 K N 2.123 122.140 120.400 -0.640 0.000 2.464 517 K HA 0.243 4.563 4.320 -0.000 0.000 0.252 517 K C -0.484 175.838 176.600 -0.464 0.000 1.000 517 K CA -0.285 55.789 56.287 -0.354 0.000 0.951 517 K CB 0.635 33.224 32.500 0.147 0.000 1.183 517 K HN 0.476 nan 8.250 nan 0.000 0.445 518 W N 1.561 122.587 121.300 -0.456 0.000 2.126 518 W HA 0.047 4.707 4.660 -0.000 0.000 0.346 518 W C 1.333 177.870 176.519 0.030 0.000 1.279 518 W CA -0.652 56.515 57.345 -0.297 0.000 1.259 518 W CB 0.517 29.643 29.460 -0.557 0.000 1.133 518 W HN 0.441 nan 8.180 nan 0.000 0.592 519 S N 3.200 119.064 115.700 0.273 0.000 2.558 519 S HA -0.067 4.403 4.470 -0.000 0.000 0.288 519 S C 1.132 175.876 174.600 0.239 0.000 1.318 519 S CA -0.229 58.072 58.200 0.167 0.000 1.056 519 S CB 0.259 63.492 63.200 0.054 0.000 0.853 519 S HN 0.549 nan 8.310 nan 0.000 0.505 520 I N 1.424 122.093 120.570 0.165 0.000 2.361 520 I HA -0.175 3.995 4.170 -0.000 0.000 0.251 520 I C 1.868 178.006 176.117 0.036 0.000 1.133 520 I CA 1.226 62.622 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 1.946 122.275 120.400 -0.118 0.000 2.148 521 K HA -0.160 4.160 4.320 -0.000 0.000 0.204 521 K C 2.154 178.738 176.600 -0.027 0.000 1.050 521 K CA 1.537 57.686 56.287 -0.231 0.000 0.942 521 K CB -0.284 31.984 32.500 -0.386 0.000 0.724 521 K HN 0.436 nan 8.250 nan 0.000 0.446 522 K N 0.678 121.087 120.400 0.015 0.000 2.062 522 K HA -0.144 4.176 4.320 -0.000 0.000 0.205 522 K C 1.932 178.540 176.600 0.013 0.000 1.051 522 K CA 0.645 56.921 56.287 -0.018 0.000 0.941 522 K CB -0.091 32.363 32.500 -0.076 0.000 0.719 522 K HN 0.172 nan 8.250 nan 0.000 0.440 523 W N 2.082 123.343 121.300 -0.064 0.000 2.321 523 W HA -0.232 4.428 4.660 -0.000 0.000 0.306 523 W C 1.559 178.042 176.519 -0.060 0.000 1.217 523 W CA 1.338 58.657 57.345 -0.042 0.000 1.257 523 W CB -0.660 28.877 29.460 0.129 0.000 1.145 523 W HN 0.137 nan 8.180 nan 0.000 0.509 524 L N 0.793 122.163 121.223 0.245 0.000 2.081 524 L HA -0.274 4.066 4.340 -0.000 0.000 0.212 524 L C 2.541 179.466 176.870 0.093 0.000 1.080 524 L CA 2.088 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 -1.034 114.699 115.700 0.056 0.000 2.593 525 S HA 0.131 4.601 4.470 -0.000 0.000 0.217 525 S C 0.746 175.321 174.600 -0.041 0.000 0.966 525 S CA -0.461 57.744 58.200 0.008 0.000 0.914 525 S CB -0.479 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 2.192 123.379 121.223 -0.060 0.000 2.506 526 L HA 0.243 4.583 4.340 -0.000 0.000 0.281 526 L C -2.213 174.624 176.870 -0.055 0.000 1.228 526 L CA -1.718 53.049 54.840 -0.122 0.000 0.850 526 L CB -0.438 41.514 42.059 -0.179 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 0.835 178.126 177.300 -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 0.313 175.227 174.900 0.023 0.000 0.998 528 G CA 0.134 45.240 45.100 0.010 0.000 0.621 528 G HN 0.627 nan 8.290 nan 0.000 0.524 529 E N 1.208 121.428 120.200 0.032 0.000 2.392 529 E HA 0.544 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 0.522 115.094 114.554 0.030 0.000 3.092 530 T HA 0.301 4.651 4.350 -0.000 0.000 0.273 530 T C 0.578 175.285 174.700 0.011 0.000 0.898 530 T CA -0.454 61.658 62.100 0.020 0.000 0.868 530 T CB 0.041 68.921 68.868 0.019 0.000 1.228 530 T HN 0.277 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 -1.571 54.520 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 -1.340 175.891 177.300 -0.115 0.000 1.252 532 P CA -0.412 62.646 63.100 -0.070 0.000 0.811 532 P CB 0.653 32.313 31.700 -0.068 0.000 1.035 533 L N 1.931 123.066 121.223 -0.146 0.000 2.356 533 L HA 0.656 4.996 4.340 -0.000 0.000 0.277 533 L C -1.378 175.354 176.870 -0.230 0.000 0.996 533 L CA -0.293 54.424 54.840 -0.206 0.000 0.822 533 L CB 0.853 42.754 42.059 -0.265 0.000 1.256 533 L HN 0.221 nan 8.230 nan 0.000 0.413 534 I N 5.458 125.894 120.570 -0.223 0.000 2.512 534 I HA 0.310 4.480 4.170 -0.000 0.000 0.287 534 I C -0.968 175.049 176.117 -0.166 0.000 1.069 534 I CA -0.638 60.520 61.300 -0.236 0.000 1.056 534 I CB 2.070 39.982 38.000 -0.146 0.000 1.229 534 I HN 0.546 nan 8.210 nan 0.000 0.429 535 L N 5.474 126.569 121.223 -0.214 0.000 2.360 535 L HA 0.121 4.461 4.340 -0.000 0.000 0.276 535 L C 1.422 178.355 176.870 0.105 0.000 1.121 535 L CA -0.261 54.515 54.840 -0.106 0.000 0.845 535 L CB 0.859 42.821 42.059 -0.161 0.000 1.143 535 L HN 0.868 nan 8.230 nan 0.000 0.452 536 C N 0.342 119.689 119.300 0.079 0.000 2.446 536 C HA 0.114 4.574 4.460 -0.000 0.000 0.279 536 C C 0.620 175.743 174.990 0.222 0.000 1.366 536 C CA -0.092 59.020 59.018 0.157 0.000 1.763 536 C CB -0.955 26.788 27.740 0.005 0.000 1.929 536 C HN 0.822 nan 8.230 nan 0.000 0.509 537 E N -0.782 119.471 120.200 0.089 0.000 2.321 537 E HA 0.599 4.949 4.350 -0.000 0.000 0.281 537 E C -1.379 175.140 176.600 -0.134 0.000 0.910 537 E CA -0.358 56.073 56.400 0.052 0.000 0.770 537 E CB 1.919 31.475 29.700 -0.240 0.000 1.225 537 E HN 0.689 nan 8.360 nan 0.000 0.417 538 Y N -0.822 119.443 120.300 -0.058 0.000 2.677 538 Y HA 0.607 5.157 4.550 -0.000 0.000 0.334 538 Y C -0.806 175.261 175.900 0.279 0.000 1.196 538 Y CA -0.755 57.346 58.100 0.002 0.000 1.059 538 Y CB 0.994 39.363 38.460 -0.152 0.000 1.315 538 Y HN 0.679 nan 8.280 nan 0.000 0.455 539 A N 2.148 125.034 122.820 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 1.000 53.080 52.037 0.072 0.000 0.734 539 A CB -2.531 16.344 19.000 -0.209 0.000 1.145 539 A HN 1.137 nan 8.150 nan 0.000 0.374 540 H N 0.582 119.824 119.070 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 0.812 57.045 56.048 0.308 0.000 1.416 540 H CB 0.335 30.173 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 0.965 178.398 177.584 -0.252 0.000 1.391 541 A CA -0.345 51.577 52.037 -0.192 0.000 1.066 541 A CB -0.572 18.301 19.000 -0.211 0.000 0.972 541 A HN 0.794 nan 8.150 nan 0.000 0.560 542 M N 1.526 120.953 119.600 -0.289 0.000 2.341 542 M HA 0.403 4.883 4.480 -0.000 0.000 0.336 542 M C 1.045 177.182 176.300 -0.273 0.000 1.489 542 M CA 1.269 56.409 55.300 -0.267 0.000 1.278 542 M CB -0.524 31.956 32.600 -0.201 0.000 1.657 542 M HN 0.803 nan 8.290 nan 0.000 0.455 543 G N 4.308 112.935 108.800 -0.288 0.000 2.527 543 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.268 543 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.268 543 G C -0.149 174.282 174.900 -0.782 0.000 1.175 543 G CA 0.020 44.792 45.100 -0.547 0.000 0.962 543 G HN 0.793 nan 8.290 nan 0.000 0.560 544 N N 1.524 119.581 118.700 -1.072 0.000 2.549 544 N HA 0.491 5.231 4.740 -0.000 0.000 0.267 544 N C 0.030 175.286 175.510 -0.424 0.000 1.182 544 N CA 1.121 53.708 53.050 -0.773 0.000 1.019 544 N CB 0.277 38.334 38.487 -0.717 0.000 1.380 544 N HN 0.741 nan 8.380 nan 0.000 0.505 545 S N 1.590 117.121 115.700 -0.281 0.000 2.998 545 S HA 0.619 5.089 4.470 -0.000 0.000 0.323 545 S C -0.018 174.505 174.600 -0.129 0.000 1.141 545 S CA -0.384 57.705 58.200 -0.186 0.000 0.873 545 S CB 0.287 63.399 63.200 -0.147 0.000 1.315 545 S HN 0.352 nan 8.310 nan 0.000 0.637 546 L N 0.103 121.279 121.223 -0.078 0.000 4.793 546 L HA -0.059 4.281 4.340 -0.000 0.000 0.404 546 L C 0.487 177.380 176.870 0.037 0.000 1.022 546 L CA 0.955 55.766 54.840 -0.049 0.000 1.242 546 L CB -1.807 40.143 42.059 -0.183 0.000 2.049 546 L HN 0.709 nan 8.230 nan 0.000 0.637 547 G N -0.876 107.922 108.800 -0.004 0.000 2.365 547 G HA2 0.482 4.442 3.960 -0.000 0.000 0.249 547 G HA3 0.482 4.442 3.960 -0.000 0.000 0.249 547 G C 1.247 176.192 174.900 0.075 0.000 1.288 547 G CA 0.219 45.303 45.100 -0.027 0.000 0.887 547 G HN 1.393 nan 8.290 nan 0.000 0.524 548 G N 1.814 110.670 108.800 0.092 0.000 2.213 548 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.236 548 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.236 548 G C 1.131 176.247 174.900 0.359 0.000 0.991 548 G CA 0.750 45.966 45.100 0.193 0.000 0.629 548 G HN 0.788 nan 8.290 nan 0.000 0.517 549 F N 2.196 122.282 119.950 0.227 0.000 2.085 549 F HA -0.038 4.489 4.527 -0.000 0.000 0.299 549 F C 2.777 178.807 175.800 0.383 0.000 1.096 549 F CA 2.949 61.148 58.000 0.332 0.000 1.227 549 F CB -0.583 38.537 39.000 0.200 0.000 0.983 549 F HN 0.420 nan 8.300 nan 0.000 0.482 550 A N -0.441 122.547 122.820 0.279 0.000 1.978 550 A HA -0.235 4.085 4.320 -0.000 0.000 0.220 550 A C 2.312 179.919 177.584 0.037 0.000 1.170 550 A CA 1.746 53.868 52.037 0.143 0.000 0.636 550 A CB -0.749 18.340 19.000 0.147 0.000 0.810 550 A HN 0.438 nan 8.150 nan 0.000 0.448 551 K N -1.547 118.868 120.400 0.025 0.000 2.074 551 K HA -0.212 4.108 4.320 -0.000 0.000 0.209 551 K C 1.808 178.199 176.600 -0.349 0.000 1.048 551 K CA 2.045 58.259 56.287 -0.122 0.000 0.926 551 K CB -0.346 32.074 32.500 -0.133 0.000 0.713 551 K HN 0.671 nan 8.250 nan 0.000 0.444 552 Y N -0.956 119.074 120.300 -0.451 0.000 2.163 552 Y HA -0.239 4.311 4.550 -0.000 0.000 0.288 552 Y C 2.130 177.080 175.900 -1.584 0.000 1.136 552 Y CA 1.346 58.821 58.100 -1.041 0.000 1.147 552 Y CB -0.423 37.393 38.460 -1.072 0.000 0.987 552 Y HN 0.172 nan 8.280 nan 0.000 0.509 553 W N 0.619 121.492 121.300 -0.712 0.000 2.350 553 W HA -0.233 4.427 4.660 -0.000 0.000 0.289 553 W C 2.666 178.996 176.519 -0.314 0.000 1.215 553 W CA 1.936 58.975 57.345 -0.510 0.000 1.236 553 W CB -0.560 28.680 29.460 -0.367 0.000 1.130 553 W HN 0.167 nan 8.180 nan 0.000 0.541 554 Q N 0.483 120.182 119.800 -0.167 0.000 2.123 554 Q HA -0.138 4.202 4.340 -0.000 0.000 0.199 554 Q C 2.176 178.109 176.000 -0.113 0.000 0.966 554 Q CA 1.815 57.567 55.803 -0.085 0.000 0.845 554 Q CB -0.486 28.228 28.738 -0.039 0.000 0.907 554 Q HN 0.214 nan 8.270 nan 0.000 0.439 555 A N 0.753 123.412 122.820 -0.269 0.000 1.902 555 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 555 A C 1.935 179.488 177.584 -0.053 0.000 1.181 555 A CA 1.162 53.082 52.037 -0.196 0.000 0.623 555 A CB -1.112 17.646 19.000 -0.403 0.000 0.818 555 A HN 0.517 nan 8.150 nan 0.000 0.443 556 F N -0.290 119.494 119.950 -0.276 0.000 2.091 556 F HA -0.253 4.274 4.527 -0.000 0.000 0.299 556 F C 2.755 178.464 175.800 -0.151 0.000 1.103 556 F CA 1.293 59.100 58.000 -0.322 0.000 1.228 556 F CB -0.227 38.382 39.000 -0.651 0.000 0.984 556 F HN 0.151 nan 8.300 nan 0.000 0.477 557 R N 0.081 120.649 120.500 0.112 0.000 2.148 557 R HA -0.186 4.154 4.340 -0.000 0.000 0.227 557 R C 2.041 178.383 176.300 0.070 0.000 1.103 557 R CA 1.285 57.433 56.100 0.080 0.000 0.983 557 R CB -0.395 29.945 30.300 0.068 0.000 0.874 557 R HN 0.445 nan 8.270 nan 0.000 0.451 558 Q N -0.449 119.424 119.800 0.122 0.000 2.402 558 Q HA -0.013 4.327 4.340 -0.000 0.000 0.206 558 Q C -0.609 175.440 176.000 0.082 0.000 0.919 558 Q CA 0.489 56.352 55.803 0.100 0.000 0.923 558 Q CB 0.562 29.376 28.738 0.126 0.000 1.048 558 Q HN 0.179 nan 8.270 nan 0.000 0.515 559 Y N 0.496 120.780 120.300 -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 -2.910 55.172 58.100 -0.030 0.000 1.204 559 Y CB 1.550 39.996 38.460 -0.025 0.000 1.135 559 Y HN 0.069 nan 8.280 nan 0.000 0.477 560 P HA -0.246 nan 4.420 nan 0.000 0.217 560 P C 1.151 178.454 177.300 0.006 0.000 1.158 560 P CA 1.854 64.960 63.100 0.010 0.000 0.887 560 P CB 0.352 32.042 31.700 -0.016 0.000 0.792 561 R N -1.115 119.406 120.500 0.035 0.000 2.323 561 R HA 0.095 4.435 4.340 -0.000 0.000 0.198 561 R C 0.571 176.849 176.300 -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 1.950 123.165 121.223 -0.013 0.000 2.282 562 L HA 0.154 4.494 4.340 -0.000 0.000 0.287 562 L C 0.673 177.398 176.870 -0.240 0.000 1.075 562 L CA 0.029 54.810 54.840 -0.098 0.000 0.839 562 L CB 1.270 43.338 42.059 0.014 0.000 1.219 562 L HN 0.001 nan 8.230 nan 0.000 0.434 563 Q N 2.901 122.498 119.800 -0.339 0.000 2.212 563 Q HA 0.341 4.681 4.340 -0.000 0.000 0.213 563 Q C 0.847 176.446 176.000 -0.668 0.000 0.874 563 Q CA 0.100 55.660 55.803 -0.404 0.000 0.965 563 Q CB 0.905 29.493 28.738 -0.249 0.000 1.074 563 Q HN 0.939 nan 8.270 nan 0.000 0.473 564 G N -0.327 107.715 108.800 -1.263 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 -2.212 106.084 108.800 -0.839 0.000 2.349 565 G HA2 0.655 4.615 3.960 -0.000 0.000 0.294 565 G HA3 0.655 4.615 3.960 -0.000 0.000 0.294 565 G C -1.853 172.939 174.900 -0.180 0.000 1.380 565 G CA -0.309 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 0.494 120.679 119.950 0.392 0.000 2.449 566 F HA 0.551 5.078 4.527 -0.000 0.000 0.342 566 F C 0.716 176.824 175.800 0.512 0.000 1.127 566 F CA -0.802 57.462 58.000 0.441 0.000 0.975 566 F CB 2.156 41.315 39.000 0.264 0.000 1.146 566 F HN 0.266 nan 8.300 nan 0.000 0.444 567 V N 2.881 123.110 119.914 0.525 0.000 2.963 567 V HA -0.061 4.059 4.120 -0.000 0.000 0.306 567 V C -0.372 175.889 176.094 0.278 0.000 1.077 567 V CA -0.444 61.964 62.300 0.180 0.000 1.124 567 V CB 1.015 32.925 31.823 0.145 0.000 0.987 567 V HN 0.786 nan 8.190 nan 0.000 0.487 568 W N 5.995 127.361 121.300 0.111 0.000 2.336 568 W HA 0.470 5.130 4.660 -0.000 0.000 0.315 568 W C -1.055 175.489 176.519 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 0.413 0.000 1.247 568 W HN 0.923 nan 8.180 nan 0.000 0.414 569 D N 2.604 122.648 120.400 -0.592 0.000 2.812 569 D HA 0.113 4.753 4.640 -0.000 0.000 0.318 569 D C 0.781 176.864 176.300 -0.362 0.000 1.234 569 D CA -0.552 53.007 54.000 -0.736 0.000 0.989 569 D CB 0.238 40.051 40.800 -1.646 0.000 1.442 569 D HN 0.407 nan 8.370 nan 0.000 0.537 570 W N 0.560 121.554 121.300 -0.511 0.000 2.348 570 W HA 0.033 4.693 4.660 -0.000 0.000 0.324 570 W C -0.068 176.224 176.519 -0.378 0.000 1.209 570 W CA 1.487 58.586 57.345 -0.409 0.000 1.275 570 W CB 0.114 29.367 29.460 -0.345 0.000 1.175 570 W HN 0.203 nan 8.180 nan 0.000 0.461 571 V N 0.912 120.623 119.914 -0.338 0.000 2.919 571 V HA 0.296 4.416 4.120 -0.000 0.000 0.316 571 V C -0.448 175.452 176.094 -0.323 0.000 1.077 571 V CA -1.107 60.931 62.300 -0.436 0.000 0.977 571 V CB 1.349 33.051 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 0.172 4.812 4.640 -0.000 0.000 0.245 572 D C -0.024 176.130 176.300 -0.244 0.000 1.120 572 D CA 0.202 54.081 54.000 -0.202 0.000 0.890 572 D CB 1.350 42.120 40.800 -0.050 0.000 1.201 572 D HN 0.607 nan 8.370 nan 0.000 0.433 573 Q N 0.994 120.584 119.800 -0.350 0.000 3.207 573 Q HA 0.154 4.494 4.340 -0.000 0.000 0.335 573 Q C -0.348 175.602 176.000 -0.083 0.000 1.374 573 Q CA -0.343 55.043 55.803 -0.696 0.000 1.023 573 Q CB 0.246 28.650 28.738 -0.557 0.000 1.576 573 Q HN 0.355 nan 8.270 nan 0.000 0.515 574 S N 0.022 115.802 115.700 0.133 0.000 2.549 574 S HA 0.698 5.168 4.470 -0.000 0.000 0.297 574 S C -0.282 174.493 174.600 0.293 0.000 1.115 574 S CA -0.815 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 1.773 123.087 121.223 0.152 0.000 2.322 575 L HA 0.612 4.952 4.340 -0.000 0.000 0.269 575 L C -0.430 176.338 176.870 -0.170 0.000 1.012 575 L CA -1.135 53.664 54.840 -0.067 0.000 0.815 575 L CB 1.428 43.331 42.059 -0.260 0.000 1.295 575 L HN 0.630 nan 8.230 nan 0.000 0.438 576 I N 1.338 121.750 120.570 -0.265 0.000 2.440 576 I HA 0.298 4.468 4.170 -0.000 0.000 0.294 576 I C -0.017 175.708 176.117 -0.655 0.000 0.995 576 I CA 0.007 61.021 61.300 -0.477 0.000 1.306 576 I CB 1.078 38.822 38.000 -0.428 0.000 1.407 576 I HN 0.511 nan 8.210 nan 0.000 0.501 577 K N 4.233 123.939 120.400 -1.157 0.000 2.466 577 K HA 0.584 4.903 4.320 -0.000 0.000 0.260 577 K C -1.781 174.078 176.600 -1.235 0.000 1.011 577 K CA -0.874 54.710 56.287 -1.171 0.000 0.871 577 K CB 2.339 33.885 32.500 -1.589 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 -0.074 176.008 175.900 0.304 0.000 0.987 578 Y CA -1.089 57.047 58.100 0.059 0.000 1.044 578 Y CB 1.374 39.843 38.460 0.016 0.000 1.245 578 Y HN 0.647 nan 8.280 nan 0.000 0.461 579 D N 0.103 120.796 120.400 0.490 0.000 2.388 579 D HA 0.055 4.695 4.640 -0.000 0.000 0.254 579 D C 0.966 177.389 176.300 0.204 0.000 1.111 579 D CA -0.568 53.611 54.000 0.298 0.000 0.993 579 D CB 0.690 41.593 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 0.215 176.852 176.600 0.063 0.000 0.998 580 E CA 1.090 57.532 56.400 0.070 0.000 0.818 580 E CB -0.799 28.923 29.700 0.037 0.000 0.741 580 E HN 0.484 nan 8.360 nan 0.000 0.477 581 N N 1.121 119.867 118.700 0.077 0.000 2.421 581 N HA 0.126 4.866 4.740 -0.000 0.000 0.201 581 N C 0.847 176.410 175.510 0.089 0.000 1.198 581 N CA 0.836 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 0.680 109.550 108.800 0.116 0.000 2.249 582 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.273 582 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.273 582 G C -0.438 174.641 174.900 0.299 0.000 1.036 582 G CA -0.264 44.910 45.100 0.124 0.000 0.824 582 G HN 0.305 nan 8.290 nan 0.000 0.504 583 N N 1.114 120.012 118.700 0.331 0.000 2.438 583 N HA 0.499 5.239 4.740 -0.000 0.000 0.282 583 N C -2.470 173.235 175.510 0.325 0.000 1.037 583 N CA -1.489 51.746 53.050 0.309 0.000 0.942 583 N CB 2.055 40.664 38.487 0.203 0.000 1.136 583 N HN 0.140 nan 8.380 nan 0.000 0.481 584 P HA 0.327 nan 4.420 nan 0.000 0.284 584 P C -0.585 176.640 177.300 -0.125 0.000 1.253 584 P CA -0.366 62.475 63.100 -0.432 0.000 0.800 584 P CB 0.675 32.161 31.700 -0.355 0.000 0.961 585 W N -0.216 120.824 121.300 -0.432 0.000 3.296 585 W HA 0.371 5.031 4.660 -0.000 0.000 0.314 585 W C -1.476 174.846 176.519 -0.328 0.000 1.238 585 W CA -0.994 56.123 57.345 -0.379 0.000 1.193 585 W CB 0.194 29.289 29.460 -0.608 0.000 1.383 585 W HN 0.140 nan 8.180 nan 0.000 0.545 586 S N 1.934 117.635 115.700 0.002 0.000 2.488 586 S HA 0.539 5.009 4.470 -0.000 0.000 0.278 586 S C 0.264 174.967 174.600 0.171 0.000 1.259 586 S CA -0.160 58.052 58.200 0.020 0.000 1.061 586 S CB 0.892 64.167 63.200 0.125 0.000 0.910 586 S HN 0.655 nan 8.310 nan 0.000 0.491 587 A N 2.816 125.616 122.820 -0.033 0.000 2.311 587 A HA 0.897 5.217 4.320 -0.000 0.000 0.334 587 A C -0.622 177.221 177.584 0.430 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 -0.290 0.000 1.234 587 A HN 0.878 nan 8.150 nan 0.000 0.483 588 Y N -1.105 119.522 120.300 0.545 0.000 2.974 588 Y HA 0.749 5.299 4.550 -0.000 0.000 0.310 588 Y C 0.592 176.832 175.900 0.567 0.000 1.526 588 Y CA -1.326 57.077 58.100 0.505 0.000 1.087 588 Y CB -0.035 38.542 38.460 0.194 0.000 1.404 588 Y HN 0.999 nan 8.280 nan 0.000 0.491 589 G N 0.084 109.266 108.800 0.635 0.000 2.187 589 G HA2 0.356 4.316 3.960 -0.000 0.000 0.239 589 G HA3 0.356 4.316 3.960 -0.000 0.000 0.239 589 G C 1.027 176.262 174.900 0.559 0.000 1.200 589 G CA 0.573 45.992 45.100 0.531 0.000 0.888 589 G HN 2.040 nan 8.290 nan 0.000 0.482 590 G N 2.307 111.401 108.800 0.491 0.000 2.234 590 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.260 590 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.260 590 G C 0.916 176.033 174.900 0.361 0.000 0.987 590 G CA 0.764 46.094 45.100 0.383 0.000 0.625 590 G HN 0.671 nan 8.290 nan 0.000 0.532 591 D N -0.325 120.327 120.400 0.420 0.000 2.378 591 D HA 0.110 4.750 4.640 -0.000 0.000 0.222 591 D C 1.263 177.458 176.300 -0.174 0.000 0.980 591 D CA 0.624 54.713 54.000 0.148 0.000 0.907 591 D CB -0.207 40.640 40.800 0.078 0.000 0.899 591 D HN 0.479 nan 8.370 nan 0.000 0.527 592 F N -1.043 119.029 119.950 0.203 0.000 2.735 592 F HA 0.332 4.859 4.527 -0.000 0.000 0.304 592 F C 1.745 177.635 175.800 0.150 0.000 1.119 592 F CA -0.358 57.727 58.000 0.141 0.000 1.280 592 F CB 0.516 39.592 39.000 0.126 0.000 0.994 592 F HN -0.078 nan 8.300 nan 0.000 0.520 593 G N 0.602 109.565 108.800 0.272 0.000 2.175 593 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.265 593 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.265 593 G C -0.067 174.978 174.900 0.242 0.000 0.979 593 G CA 0.323 45.550 45.100 0.212 0.000 0.663 593 G HN 0.461 nan 8.290 nan 0.000 0.533 594 D N 0.532 121.131 120.400 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 0.654 54.837 54.000 0.304 0.000 0.879 594 D CB 1.131 42.173 40.800 0.403 0.000 1.163 594 D HN 0.072 nan 8.370 nan 0.000 0.472 595 T N 2.387 117.040 114.554 0.164 0.000 2.952 595 T HA 0.460 4.810 4.350 -0.000 0.000 0.305 595 T C -2.357 172.384 174.700 0.069 0.000 1.064 595 T CA -0.945 61.219 62.100 0.107 0.000 1.008 595 T CB 2.002 70.928 68.868 0.097 0.000 1.078 595 T HN 0.389 nan 8.240 nan 0.000 0.459 596 P HA 0.529 nan 4.420 nan 0.000 0.279 596 P C -1.098 176.192 177.300 -0.016 0.000 1.276 596 P CA -0.665 62.437 63.100 0.002 0.000 0.801 596 P CB 0.749 32.423 31.700 -0.043 0.000 1.127 597 N N -1.282 117.409 118.700 -0.016 0.000 2.732 597 N HA 0.161 4.901 4.740 -0.000 0.000 0.259 597 N C -1.271 174.203 175.510 -0.060 0.000 1.402 597 N CA -0.546 52.479 53.050 -0.041 0.000 0.829 597 N CB 1.319 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 0.211 120.553 120.400 -0.097 0.000 2.772 598 D HA 0.148 4.788 4.640 -0.000 0.000 0.272 598 D C 0.595 177.125 176.300 0.384 0.000 1.314 598 D CA -0.218 53.801 54.000 0.031 0.000 0.835 598 D CB 0.847 41.491 40.800 -0.260 0.000 1.080 598 D HN 0.590 nan 8.370 nan 0.000 0.482 599 R N 0.294 120.996 120.500 0.337 0.000 3.587 599 R HA -0.366 3.974 4.340 -0.000 0.000 0.556 599 R C 0.943 177.239 176.300 -0.007 0.000 0.241 599 R CA 1.455 57.726 56.100 0.284 0.000 1.724 599 R CB -1.359 29.017 30.300 0.127 0.000 0.885 599 R HN 0.067 nan 8.270 nan 0.000 0.613 600 Q N 0.642 120.125 119.800 -0.529 0.000 2.437 600 Q HA 0.105 4.445 4.340 -0.000 0.000 0.210 600 Q C 1.809 177.525 176.000 -0.474 0.000 0.972 600 Q CA 1.529 56.859 55.803 -0.789 0.000 0.903 600 Q CB -0.222 27.922 28.738 -0.990 0.000 0.967 600 Q HN 0.435 nan 8.270 nan 0.000 0.486 601 F N 0.680 120.527 119.950 -0.172 0.000 2.271 601 F HA -0.252 4.275 4.527 -0.000 0.000 0.302 601 F C 1.875 177.623 175.800 -0.086 0.000 1.063 601 F CA 1.043 59.031 58.000 -0.020 0.000 1.362 601 F CB -0.440 38.612 39.000 0.087 0.000 1.060 601 F HN 0.325 nan 8.300 nan 0.000 0.521 602 C N -1.377 117.669 119.300 -0.424 0.000 2.539 602 C HA 0.181 4.641 4.460 -0.000 0.000 0.271 602 C C 1.001 175.794 174.990 -0.327 0.000 1.412 602 C CA -0.485 58.135 59.018 -0.663 0.000 1.729 602 C CB -1.895 24.943 27.740 -1.503 0.000 1.739 602 C HN 0.204 nan 8.230 nan 0.000 0.570 603 M N 3.157 122.604 119.600 -0.255 0.000 2.060 603 M HA 0.321 4.801 4.480 -0.000 0.000 0.342 603 M C -0.433 175.753 176.300 -0.191 0.000 1.031 603 M CA 0.233 55.414 55.300 -0.197 0.000 0.981 603 M CB 0.393 32.900 32.600 -0.155 0.000 1.376 603 M HN 0.274 nan 8.290 nan 0.000 0.397 604 N N 1.554 120.139 118.700 -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 39.692 38.487 -0.155 0.000 1.303 604 N HN 0.669 nan 8.380 nan 0.000 0.498 605 G N 0.036 108.596 108.800 -0.399 0.000 2.528 605 G HA2 0.471 4.431 3.960 -0.000 0.000 0.289 605 G HA3 0.471 4.431 3.960 -0.000 0.000 0.289 605 G C 0.880 175.315 174.900 -0.774 0.000 1.192 605 G CA -0.505 44.260 45.100 -0.557 0.000 0.921 605 G HN 0.102 nan 8.290 nan 0.000 0.512 606 L N -0.413 120.351 121.223 -0.765 0.000 2.446 606 L HA 0.164 4.504 4.340 -0.000 0.000 0.219 606 L C 0.691 176.919 176.870 -1.071 0.000 1.116 606 L CA 0.238 54.629 54.840 -0.749 0.000 0.844 606 L CB -0.145 41.641 42.059 -0.454 0.000 0.970 606 L HN 0.378 nan 8.230 nan 0.000 0.457 607 V N -5.230 113.946 119.914 -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 60.471 62.300 -0.981 0.000 0.998 607 V CB 1.709 33.011 31.823 -0.869 0.000 1.042 607 V HN -0.136 nan 8.190 nan 0.000 0.433 608 F N 1.251 121.062 119.950 -0.231 0.000 2.444 608 F HA 0.558 5.085 4.527 -0.000 0.000 0.331 608 F C 1.941 177.650 175.800 -0.151 0.000 1.167 608 F CA 0.371 58.343 58.000 -0.046 0.000 1.262 608 F CB 1.407 40.414 39.000 0.010 0.000 1.196 608 F HN 0.813 nan 8.300 nan 0.000 0.583 609 A N 1.215 124.114 122.820 0.131 0.000 1.997 609 A HA -0.294 4.026 4.320 -0.000 0.000 0.221 609 A C 1.612 179.158 177.584 -0.063 0.000 1.172 609 A CA 2.182 54.232 52.037 0.022 0.000 0.645 609 A CB -1.148 17.895 19.000 0.071 0.000 0.813 609 A HN 0.879 nan 8.150 nan 0.000 0.454 610 D N -2.897 117.488 120.400 -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 0.361 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 -1.032 119.446 120.500 -0.036 0.000 3.515 611 R HA -0.109 4.231 4.340 -0.000 0.000 0.292 611 R C -0.781 175.506 176.300 -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 -2.139 112.462 114.554 0.079 0.000 2.779 612 T HA 0.718 5.068 4.350 -0.000 0.000 0.280 612 T C -2.470 172.373 174.700 0.238 0.000 0.987 612 T CA -2.422 59.771 62.100 0.156 0.000 0.966 612 T CB 2.431 71.386 68.868 0.145 0.000 0.933 612 T HN -0.174 nan 8.240 nan 0.000 0.442 613 P HA 0.092 nan 4.420 nan 0.000 0.267 613 P C -0.180 177.163 177.300 0.072 0.000 1.200 613 P CA -0.006 63.078 63.100 -0.026 0.000 0.772 613 P CB 0.248 31.948 31.700 -0.002 0.000 0.855 614 H N 2.937 121.805 119.070 -0.337 0.000 2.508 614 H HA 0.165 4.721 4.556 -0.000 0.000 0.344 614 H C -1.191 174.029 175.328 -0.180 0.000 1.192 614 H CA -2.123 53.712 56.048 -0.355 0.000 1.290 614 H CB 0.861 30.379 29.762 -0.406 0.000 1.571 614 H HN 0.308 nan 8.280 nan 0.000 0.555 615 P HA -0.137 nan 4.420 nan 0.000 0.218 615 P C 1.249 178.545 177.300 -0.006 0.000 1.149 615 P CA 1.275 64.360 63.100 -0.024 0.000 0.817 615 P CB -0.052 31.626 31.700 -0.038 0.000 0.785 616 A N 0.189 123.007 122.820 -0.004 0.000 1.958 616 A HA -0.225 4.095 4.320 -0.000 0.000 0.221 616 A C 2.153 179.686 177.584 -0.085 0.000 1.178 616 A CA 1.684 53.685 52.037 -0.061 0.000 0.642 616 A CB -1.751 17.189 19.000 -0.100 0.000 0.816 616 A HN 0.167 nan 8.150 nan 0.000 0.453 617 L N 0.017 121.204 121.223 -0.060 0.000 2.089 617 L HA -0.208 4.132 4.340 -0.000 0.000 0.213 617 L C 2.493 179.397 176.870 0.058 0.000 1.079 617 L CA 2.834 57.669 54.840 -0.008 0.000 0.758 617 L CB -1.010 41.044 42.059 -0.009 0.000 0.891 617 L HN 0.451 nan 8.230 nan 0.000 0.433 618 T N -1.335 113.258 114.554 0.065 0.000 2.737 618 T HA -0.208 4.142 4.350 -0.000 0.000 0.265 618 T C 1.713 176.514 174.700 0.168 0.000 1.038 618 T CA 1.357 63.546 62.100 0.149 0.000 1.144 618 T CB -0.238 68.702 68.868 0.120 0.000 0.866 618 T HN 0.364 nan 8.240 nan 0.000 0.434 619 E N 1.546 121.794 120.200 0.081 0.000 2.085 619 E HA -0.121 4.229 4.350 -0.000 0.000 0.194 619 E C 2.235 178.862 176.600 0.046 0.000 0.994 619 E CA 1.408 57.865 56.400 0.095 0.000 0.801 619 E CB -0.567 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 0.993 123.739 122.820 -0.123 0.000 1.865 620 A HA -0.285 4.035 4.320 -0.000 0.000 0.217 620 A C 2.187 179.694 177.584 -0.128 0.000 1.191 620 A CA 2.216 54.156 52.037 -0.161 0.000 0.623 620 A CB -0.774 18.115 19.000 -0.184 0.000 0.826 620 A HN 0.311 nan 8.150 nan 0.000 0.444 621 K N -1.296 119.092 120.400 -0.020 0.000 2.044 621 K HA -0.311 4.009 4.320 -0.000 0.000 0.210 621 K C 2.065 178.577 176.600 -0.147 0.000 1.049 621 K CA 2.161 58.438 56.287 -0.017 0.000 0.927 621 K CB -0.381 32.242 32.500 0.206 0.000 0.713 621 K HN 0.649 nan 8.250 nan 0.000 0.443 622 H N 0.432 119.349 119.070 -0.255 0.000 2.293 622 H HA -0.057 4.499 4.556 -0.000 0.000 0.300 622 H C 1.947 176.995 175.328 -0.467 0.000 1.082 622 H CA 1.991 57.691 56.048 -0.580 0.000 1.308 622 H CB -0.109 29.348 29.762 -0.508 0.000 1.375 622 H HN 0.249 nan 8.280 nan 0.000 0.495 623 Q N 0.246 119.749 119.800 -0.495 0.000 2.291 623 Q HA -0.116 4.224 4.340 -0.000 0.000 0.206 623 Q C 1.721 177.167 176.000 -0.923 0.000 0.976 623 Q CA 1.349 56.770 55.803 -0.636 0.000 0.875 623 Q CB -0.040 28.438 28.738 -0.433 0.000 0.927 623 Q HN 0.727 nan 8.270 nan 0.000 0.450 624 Q N 0.570 119.831 119.800 -0.897 0.000 2.319 624 Q HA 0.038 4.378 4.340 -0.000 0.000 0.202 624 Q C 0.066 175.512 176.000 -0.924 0.000 0.896 624 Q CA -0.265 54.884 55.803 -1.089 0.000 0.942 624 Q CB 0.303 28.424 28.738 -1.029 0.000 1.083 624 Q HN 0.465 nan 8.270 nan 0.000 0.510 625 Q N -0.416 118.980 119.800 -0.672 0.000 2.414 625 Q HA -0.060 4.280 4.340 -0.000 0.000 0.288 625 Q C -0.241 175.345 176.000 -0.691 0.000 1.086 625 Q CA 0.407 55.914 55.803 -0.493 0.000 0.943 625 Q CB 0.301 28.907 28.738 -0.220 0.000 1.282 625 Q HN 0.186 nan 8.270 nan 0.000 0.438 626 F N -0.153 119.541 119.950 -0.426 0.000 2.797 626 F HA 0.264 4.791 4.527 -0.000 0.000 0.302 626 F C -0.131 175.106 175.800 -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 -1.412 0.000 1.107 626 F HN 0.344 nan 8.300 nan 0.000 0.577 627 F N 0.071 119.912 119.950 -0.180 0.000 2.532 627 F HA 0.490 5.017 4.527 -0.000 0.000 0.321 627 F C -0.234 175.231 175.800 -0.559 0.000 1.089 627 F CA -1.077 56.730 58.000 -0.321 0.000 0.926 627 F CB 1.369 40.199 39.000 -0.283 0.000 1.168 627 F HN -0.330 nan 8.300 nan 0.000 0.459 628 Q N 3.082 122.610 119.800 -0.454 0.000 2.353 628 Q HA 0.513 4.853 4.340 -0.000 0.000 0.268 628 Q C -1.457 174.199 176.000 -0.572 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 0.465 120.540 119.950 0.208 0.000 2.522 629 F HA 0.610 5.137 4.527 -0.000 0.000 0.324 629 F C 0.549 176.585 175.800 0.392 0.000 1.077 629 F CA -0.843 57.356 58.000 0.332 0.000 0.944 629 F CB 1.905 41.224 39.000 0.531 0.000 1.175 629 F HN 0.113 nan 8.300 nan 0.000 0.468 630 R N 1.759 122.569 120.500 0.517 0.000 2.621 630 R HA 0.623 4.963 4.340 -0.000 0.000 0.284 630 R C -2.005 174.359 176.300 0.107 0.000 0.998 630 R CA -1.174 55.127 56.100 0.334 0.000 0.895 630 R CB 2.668 33.072 30.300 0.174 0.000 1.195 630 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 1.947 43.286 42.059 -1.201 0.000 1.247 631 L HN 0.484 nan 8.230 nan 0.000 0.416 632 S N 3.785 119.359 115.700 -0.210 0.000 2.789 632 S HA 0.669 5.139 4.470 -0.000 0.000 0.286 632 S C 0.448 174.962 174.600 -0.143 0.000 1.153 632 S CA 0.201 58.319 58.200 -0.137 0.000 1.084 632 S CB 0.254 63.409 63.200 -0.076 0.000 1.036 632 S HN 1.461 nan 8.310 nan 0.000 0.484 633 G N 4.318 113.031 108.800 -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 0.716 45.737 45.100 -0.132 0.000 0.971 633 G HN 0.652 nan 8.290 nan 0.000 0.544 634 Q N 1.345 121.054 119.800 -0.151 0.000 2.198 634 Q HA 0.215 4.555 4.340 -0.000 0.000 0.209 634 Q C 0.013 175.898 176.000 -0.192 0.000 0.848 634 Q CA 0.668 56.362 55.803 -0.181 0.000 0.974 634 Q CB 0.843 29.491 28.738 -0.149 0.000 1.115 634 Q HN 0.569 nan 8.270 nan 0.000 0.494 635 T N 0.812 115.264 114.554 -0.171 0.000 2.797 635 T HA 0.538 4.888 4.350 -0.000 0.000 0.279 635 T C 0.082 174.686 174.700 -0.161 0.000 0.991 635 T CA -0.390 61.625 62.100 -0.142 0.000 0.979 635 T CB 1.577 70.392 68.868 -0.087 0.000 0.943 635 T HN 0.020 nan 8.240 nan 0.000 0.444 636 I N 2.404 122.902 120.570 -0.119 0.000 2.336 636 I HA 0.327 4.497 4.170 -0.000 0.000 0.292 636 I C 0.475 176.624 176.117 0.053 0.000 0.991 636 I CA -0.663 60.599 61.300 -0.063 0.000 1.227 636 I CB 1.426 39.419 38.000 -0.012 0.000 1.366 636 I HN 0.625 nan 8.210 nan 0.000 0.466 637 E N 6.510 126.767 120.200 0.095 0.000 2.156 637 E HA 0.493 4.843 4.350 -0.000 0.000 0.279 637 E C -1.546 175.161 176.600 0.177 0.000 0.965 637 E CA -0.587 55.880 56.400 0.112 0.000 0.789 637 E CB 1.609 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 3.639 123.632 119.914 0.132 0.000 2.555 638 V HA 0.418 4.538 4.120 -0.000 0.000 0.302 638 V C -0.159 175.954 176.094 0.031 0.000 1.038 638 V CA -0.702 61.641 62.300 0.073 0.000 0.887 638 V CB 1.913 33.810 31.823 0.123 0.000 0.991 638 V HN 0.726 nan 8.190 nan 0.000 0.434 639 T N 2.546 117.075 114.554 -0.040 0.000 2.861 639 T HA 0.386 4.736 4.350 -0.000 0.000 0.287 639 T C -0.298 174.396 174.700 -0.010 0.000 1.003 639 T CA -0.368 61.723 62.100 -0.015 0.000 0.977 639 T CB 1.690 70.530 68.868 -0.046 0.000 0.996 639 T HN 0.680 nan 8.240 nan 0.000 0.448 640 S N 1.551 117.252 115.700 0.002 0.000 2.457 640 S HA 0.241 4.711 4.470 -0.000 0.000 0.289 640 S C 0.642 175.133 174.600 -0.182 0.000 1.163 640 S CA -0.585 57.560 58.200 -0.092 0.000 1.078 640 S CB 0.491 63.709 63.200 0.031 0.000 0.987 640 S HN 0.697 nan 8.310 nan 0.000 0.482 641 E N 3.428 123.421 120.200 -0.344 0.000 2.451 641 E HA 0.094 4.444 4.350 -0.000 0.000 0.194 641 E C -0.860 175.592 176.600 -0.247 0.000 1.027 641 E CA -0.068 56.172 56.400 -0.266 0.000 0.914 641 E CB 0.334 29.862 29.700 -0.286 0.000 1.054 641 E HN 0.676 nan 8.360 nan 0.000 0.461 642 Y N 0.329 120.520 120.300 -0.182 0.000 2.309 642 Y HA 0.102 4.652 4.550 -0.000 0.000 0.327 642 Y C 1.401 177.138 175.900 -0.272 0.000 1.172 642 Y CA -0.308 57.657 58.100 -0.225 0.000 1.280 642 Y CB 0.997 39.301 38.460 -0.260 0.000 1.234 642 Y HN -0.033 nan 8.280 nan 0.000 0.512 643 L N 1.434 122.494 121.223 -0.272 0.000 2.408 643 L HA 0.062 4.402 4.340 -0.000 0.000 0.215 643 L C 0.666 177.078 176.870 -0.765 0.000 1.081 643 L CA 0.745 55.171 54.840 -0.689 0.000 0.840 643 L CB 0.050 41.290 42.059 -1.365 0.000 1.002 643 L HN 0.672 nan 8.230 nan 0.000 0.468 644 F N -0.399 119.558 119.950 0.011 0.000 2.747 644 F HA 0.198 4.725 4.527 -0.000 0.000 0.305 644 F C 1.388 177.159 175.800 -0.048 0.000 1.065 644 F CA -0.805 57.173 58.000 -0.035 0.000 1.230 644 F CB 0.360 39.314 39.000 -0.076 0.000 1.027 644 F HN -0.107 nan 8.300 nan 0.000 0.607 645 R N -0.074 120.453 120.500 0.044 0.000 2.607 645 R HA 0.509 4.849 4.340 -0.000 0.000 0.261 645 R C -1.118 175.183 176.300 0.002 0.000 1.051 645 R CA -0.665 55.409 56.100 -0.043 0.000 1.110 645 R CB 0.660 30.833 30.300 -0.212 0.000 1.158 645 R HN 0.055 nan 8.270 nan 0.000 0.543 646 H N -0.413 118.628 119.070 -0.048 0.000 2.502 646 H HA 0.200 4.756 4.556 -0.000 0.000 0.338 646 H C -0.311 175.037 175.328 0.033 0.000 1.155 646 H CA -0.477 55.583 56.048 0.019 0.000 1.237 646 H CB 1.543 31.323 29.762 0.031 0.000 1.534 646 H HN 0.745 nan 8.280 nan 0.000 0.523 647 S N 2.302 117.811 115.700 -0.319 0.000 3.988 647 S HA -0.069 4.401 4.470 -0.000 0.000 0.180 647 S C 0.175 174.859 174.600 0.139 0.000 1.242 647 S CA 0.013 58.227 58.200 0.023 0.000 0.947 647 S CB -0.984 62.230 63.200 0.023 0.000 1.519 647 S HN 0.722 nan 8.310 nan 0.000 0.439 648 D N 0.305 120.808 120.400 0.171 0.000 2.319 648 D HA 0.032 4.672 4.640 -0.000 0.000 0.230 648 D C 0.423 176.783 176.300 0.101 0.000 1.094 648 D CA -0.200 53.901 54.000 0.168 0.000 0.856 648 D CB -0.232 40.658 40.800 0.151 0.000 0.915 648 D HN 0.466 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 -0.052 nan 8.380 nan 0.000 0.496 650 E N 0.107 120.355 120.200 0.080 0.000 2.246 650 E HA 0.435 4.785 4.350 -0.000 0.000 0.266 650 E C -1.523 175.095 176.600 0.030 0.000 0.880 650 E CA -0.604 55.824 56.400 0.046 0.000 0.762 650 E CB 1.921 31.622 29.700 0.000 0.000 1.180 650 E HN 0.064 nan 8.360 nan 0.000 0.416 651 L N 3.537 124.771 121.223 0.017 0.000 2.341 651 L HA 0.544 4.884 4.340 -0.000 0.000 0.278 651 L C -1.471 175.425 176.870 0.042 0.000 1.005 651 L CA -0.924 53.944 54.840 0.046 0.000 0.818 651 L CB 1.522 43.609 42.059 0.047 0.000 1.259 651 L HN 0.595 nan 8.230 nan 0.000 0.418 652 L N 5.072 126.380 121.223 0.142 0.000 2.276 652 L HA 0.452 4.792 4.340 -0.000 0.000 0.286 652 L C -0.703 176.374 176.870 0.345 0.000 1.024 652 L CA 0.039 54.994 54.840 0.191 0.000 0.826 652 L CB 0.444 42.623 42.059 0.199 0.000 1.211 652 L HN 0.584 nan 8.230 nan 0.000 0.422 653 H N 5.805 124.923 119.070 0.080 0.000 2.467 653 H HA 0.384 4.940 4.556 -0.000 0.000 0.326 653 H C -1.119 174.269 175.328 0.100 0.000 1.094 653 H CA -0.736 55.316 56.048 0.006 0.000 1.253 653 H CB 0.946 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 3.605 124.976 121.300 0.118 0.000 2.929 654 W HA 0.589 5.249 4.660 -0.000 0.000 0.345 654 W C -1.482 175.072 176.519 0.058 0.000 1.151 654 W CA -1.432 55.967 57.345 0.091 0.000 1.111 654 W CB 1.622 31.127 29.460 0.076 0.000 1.449 654 W HN 0.611 nan 8.180 nan 0.000 0.572 655 M N 1.196 121.167 119.600 0.618 0.000 2.569 655 M HA 0.539 5.019 4.480 -0.000 0.000 0.287 655 M C -2.644 173.911 176.300 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 0.127 nan 8.290 nan 0.000 0.515 656 V N 2.345 122.489 119.914 0.383 0.000 2.513 656 V HA 1.043 5.163 4.120 -0.000 0.000 0.299 656 V C -0.189 176.019 176.094 0.190 0.000 1.035 656 V CA 0.049 62.521 62.300 0.287 0.000 0.889 656 V CB 1.298 33.286 31.823 0.274 0.000 0.988 656 V HN 1.150 nan 8.190 nan 0.000 0.440 657 A N 4.098 127.038 122.820 0.201 0.000 2.572 657 A HA 0.863 5.183 4.320 -0.000 0.000 0.295 657 A C -1.735 175.975 177.584 0.210 0.000 1.072 657 A CA -0.584 51.543 52.037 0.150 0.000 0.691 657 A CB 1.779 20.820 19.000 0.069 0.000 1.291 657 A HN 0.774 nan 8.150 nan 0.000 0.404 658 L N 1.450 122.764 121.223 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 0.333 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 4.740 125.305 120.400 0.275 0.000 2.733 659 D HA -0.211 4.429 4.640 -0.000 0.000 0.232 659 D C 1.184 177.512 176.300 0.046 0.000 1.161 659 D CA 1.588 55.732 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 -1.286 107.508 108.800 -0.010 0.000 2.213 660 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.236 660 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.236 660 G C 0.161 174.989 174.900 -0.120 0.000 0.991 660 G CA 0.280 45.272 45.100 -0.181 0.000 0.629 660 G HN 0.434 nan 8.290 nan 0.000 0.517 661 K N 2.209 122.589 120.400 -0.034 0.000 2.253 661 K HA 0.553 4.873 4.320 -0.000 0.000 0.277 661 K C -2.565 174.036 176.600 0.001 0.000 1.053 661 K CA -2.050 54.221 56.287 -0.027 0.000 0.892 661 K CB 1.820 34.316 32.500 -0.007 0.000 1.102 661 K HN 0.096 nan 8.250 nan 0.000 0.469 662 P HA 0.037 nan 4.420 nan 0.000 0.271 662 P C -0.229 177.079 177.300 0.013 0.000 1.220 662 P CA 0.036 63.131 63.100 -0.008 0.000 0.768 662 P CB 0.687 32.357 31.700 -0.049 0.000 0.848 663 L N 1.300 122.553 121.223 0.050 0.000 2.717 663 L HA 0.538 4.878 4.340 -0.000 0.000 0.239 663 L C 0.799 177.714 176.870 0.074 0.000 1.086 663 L CA 0.112 54.986 54.840 0.058 0.000 0.897 663 L CB 0.327 42.435 42.059 0.081 0.000 1.214 663 L HN 0.364 nan 8.230 nan 0.000 0.508 664 A N -0.085 122.796 122.820 0.101 0.000 2.594 664 A HA 0.714 5.034 4.320 -0.000 0.000 0.296 664 A C -0.942 176.617 177.584 -0.041 0.000 1.056 664 A CA -0.333 51.777 52.037 0.121 0.000 0.693 664 A CB 1.412 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 -0.363 115.055 115.700 -0.470 0.000 2.627 665 S HA 0.983 5.453 4.470 -0.000 0.000 0.283 665 S C -0.073 173.505 174.600 -1.703 0.000 1.127 665 S CA -0.340 57.221 58.200 -1.066 0.000 0.863 665 S CB 2.025 64.872 63.200 -0.589 0.000 1.121 665 S HN 2.115 nan 8.310 nan 0.000 0.479 666 G N -0.196 107.249 108.800 -2.258 0.000 2.677 666 G HA2 0.624 4.584 3.960 -0.000 0.000 0.291 666 G HA3 0.624 4.584 3.960 -0.000 0.000 0.291 666 G C -2.159 172.204 174.900 -0.894 0.000 1.435 666 G CA -0.598 43.591 45.100 -1.519 0.000 0.826 666 G HN 0.621 nan 8.290 nan 0.000 0.491 667 E N -0.538 119.490 120.200 -0.287 0.000 2.246 667 E HA 0.610 4.960 4.350 -0.000 0.000 0.266 667 E C -1.356 175.313 176.600 0.116 0.000 0.880 667 E CA -0.533 55.805 56.400 -0.103 0.000 0.762 667 E CB 2.593 32.192 29.700 -0.169 0.000 1.180 667 E HN 0.326 nan 8.360 nan 0.000 0.416 668 V N 5.727 125.764 119.914 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 0.254 nan 4.420 nan 0.000 0.276 669 P C -0.674 176.683 177.300 0.094 0.000 1.235 669 P CA -0.034 63.126 63.100 0.101 0.000 0.772 669 P CB 0.855 32.610 31.700 0.092 0.000 0.871 670 L N 3.115 124.380 121.223 0.070 0.000 2.350 670 L HA 0.315 4.655 4.340 -0.000 0.000 0.275 670 L C 0.510 177.428 176.870 0.080 0.000 1.099 670 L CA 0.231 55.101 54.840 0.050 0.000 0.808 670 L CB 0.575 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 2.253 122.704 120.400 0.084 0.000 2.429 671 D HA 0.386 5.026 4.640 -0.000 0.000 0.255 671 D C -1.329 174.992 176.300 0.034 0.000 1.257 671 D CA -0.062 54.033 54.000 0.158 0.000 0.890 671 D CB 0.985 41.913 40.800 0.214 0.000 1.267 671 D HN 0.101 nan 8.370 nan 0.000 0.521 672 V N 0.520 120.266 119.914 -0.280 0.000 2.638 672 V HA 0.898 5.018 4.120 -0.000 0.000 0.306 672 V C 0.517 176.372 176.094 -0.398 0.000 1.052 672 V CA -1.418 60.775 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 0.435 nan 8.190 nan 0.000 0.424 673 A N 5.602 128.396 122.820 -0.043 0.000 2.371 673 A HA 0.770 5.090 4.320 -0.000 0.000 0.257 673 A C -2.295 175.318 177.584 0.048 0.000 1.089 673 A CA -1.537 50.563 52.037 0.105 0.000 0.794 673 A CB -0.162 18.943 19.000 0.174 0.000 1.029 673 A HN 0.740 nan 8.150 nan 0.000 0.488 674 P HA -0.044 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 63.838 63.100 0.027 0.000 0.759 674 P CB 0.139 31.837 31.700 -0.004 0.000 0.772 675 Q N -1.237 118.546 119.800 -0.028 0.000 2.452 675 Q HA -0.187 4.153 4.340 -0.000 0.000 0.248 675 Q C 0.697 176.692 176.000 -0.008 0.000 0.874 675 Q CA 1.377 57.157 55.803 -0.038 0.000 1.208 675 Q CB -2.447 26.260 28.738 -0.051 0.000 1.569 675 Q HN 0.765 nan 8.270 nan 0.000 0.579 676 G N 0.289 109.098 108.800 0.015 0.000 2.552 676 G HA2 0.614 4.574 3.960 -0.000 0.000 0.318 676 G HA3 0.614 4.574 3.960 -0.000 0.000 0.318 676 G C -0.623 174.298 174.900 0.036 0.000 1.240 676 G CA -0.674 44.444 45.100 0.031 0.000 1.002 676 G HN -0.021 nan 8.290 nan 0.000 0.493 677 K N -0.460 119.965 120.400 0.042 0.000 2.259 677 K HA 0.466 4.786 4.320 -0.000 0.000 0.249 677 K C -0.833 175.803 176.600 0.060 0.000 0.942 677 K CA -0.547 55.768 56.287 0.047 0.000 0.816 677 K CB 2.379 34.901 32.500 0.037 0.000 1.155 677 K HN 0.530 nan 8.250 nan 0.000 0.428 678 Q N 3.334 123.175 119.800 0.069 0.000 2.323 678 Q HA 0.376 4.716 4.340 -0.000 0.000 0.271 678 Q C -1.557 174.487 176.000 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 5.097 126.355 121.223 0.058 0.000 2.289 679 L HA 0.538 4.878 4.340 -0.000 0.000 0.285 679 L C -0.449 176.445 176.870 0.040 0.000 1.049 679 L CA -0.678 54.188 54.840 0.044 0.000 0.804 679 L CB 1.198 43.273 42.059 0.026 0.000 1.195 679 L HN 0.625 nan 8.230 nan 0.000 0.428 680 I N 3.070 123.656 120.570 0.027 0.000 2.410 680 I HA 0.238 4.408 4.170 -0.000 0.000 0.286 680 I C -0.288 175.802 176.117 -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 6.598 126.775 120.200 -0.040 0.000 2.223 681 E HA 0.389 4.739 4.350 -0.000 0.000 0.282 681 E C -0.642 175.888 176.600 -0.116 0.000 1.046 681 E CA -0.303 56.056 56.400 -0.069 0.000 0.857 681 E CB 1.367 31.044 29.700 -0.038 0.000 1.055 681 E HN 0.470 nan 8.360 nan 0.000 0.409 682 L N 6.158 127.275 121.223 -0.178 0.000 2.312 682 L HA 0.328 4.668 4.340 -0.000 0.000 0.281 682 L C -1.865 174.896 176.870 -0.182 0.000 1.070 682 L CA -1.903 52.776 54.840 -0.270 0.000 0.805 682 L CB 1.221 43.042 42.059 -0.397 0.000 1.174 682 L HN 0.232 nan 8.230 nan 0.000 0.434 683 P HA -0.011 nan 4.420 nan 0.000 0.270 683 P C -0.406 176.839 177.300 -0.091 0.000 1.223 683 P CA -0.321 62.738 63.100 -0.069 0.000 0.785 683 P CB 0.505 32.213 31.700 0.014 0.000 0.923 684 E N 0.998 121.170 120.200 -0.046 0.000 2.529 684 E HA 0.007 4.357 4.350 -0.000 0.000 0.259 684 E C -0.199 176.378 176.600 -0.038 0.000 0.966 684 E CA 0.285 56.658 56.400 -0.045 0.000 0.937 684 E CB 0.173 29.859 29.700 -0.023 0.000 0.923 684 E HN 0.329 nan 8.360 nan 0.000 0.468 685 L N 6.073 127.262 121.223 -0.057 0.000 2.357 685 L HA 0.334 4.674 4.340 -0.000 0.000 0.273 685 L C -1.941 174.925 176.870 -0.008 0.000 1.080 685 L CA -2.149 52.667 54.840 -0.039 0.000 0.803 685 L CB 0.628 42.644 42.059 -0.073 0.000 1.174 685 L HN 0.357 nan 8.230 nan 0.000 0.443 686 P HA 0.113 nan 4.420 nan 0.000 0.271 686 P C -1.087 176.223 177.300 0.017 0.000 1.216 686 P CA -0.314 62.802 63.100 0.027 0.000 0.776 686 P CB 0.651 32.381 31.700 0.050 0.000 0.881 687 Q N 2.322 122.130 119.800 0.013 0.000 2.965 687 Q HA 0.278 4.618 4.340 -0.000 0.000 0.288 687 Q C -2.130 173.877 176.000 0.013 0.000 0.974 687 Q CA -1.597 54.211 55.803 0.008 0.000 0.849 687 Q CB 0.102 28.839 28.738 -0.001 0.000 1.280 687 Q HN 0.387 nan 8.270 nan 0.000 0.441 688 P HA -0.064 nan 4.420 nan 0.000 0.267 688 P C 0.049 177.361 177.300 0.019 0.000 1.195 688 P CA 0.146 63.261 63.100 0.024 0.000 0.773 688 P CB 1.269 32.990 31.700 0.034 0.000 0.837 689 E N 0.197 120.409 120.200 0.020 0.000 2.099 689 E HA 0.013 4.363 4.350 -0.000 0.000 0.191 689 E C 0.539 177.153 176.600 0.022 0.000 0.962 689 E CA 0.494 56.905 56.400 0.018 0.000 0.826 689 E CB -0.591 29.118 29.700 0.016 0.000 0.788 689 E HN 0.530 nan 8.360 nan 0.000 0.461 690 S N 1.530 117.246 115.700 0.026 0.000 2.542 690 S HA 0.128 4.598 4.470 -0.000 0.000 0.287 690 S C 0.426 175.048 174.600 0.036 0.000 1.315 690 S CA 0.178 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 1.398 124.243 122.820 0.041 0.000 2.322 691 A HA 0.785 5.105 4.320 -0.000 0.000 0.269 691 A C 0.866 178.486 177.584 0.061 0.000 1.094 691 A CA 0.209 52.273 52.037 0.045 0.000 0.807 691 A CB 0.002 19.030 19.000 0.047 0.000 1.047 691 A HN 1.865 nan 8.150 nan 0.000 0.487 692 G N -0.244 108.594 108.800 0.064 0.000 2.369 692 G HA2 0.320 4.280 3.960 -0.000 0.000 0.295 692 G HA3 0.320 4.280 3.960 -0.000 0.000 0.295 692 G C -1.279 173.667 174.900 0.077 0.000 1.298 692 G CA -0.890 44.266 45.100 0.093 0.000 0.940 692 G HN 0.850 nan 8.290 nan 0.000 0.536 693 Q N -0.608 119.270 119.800 0.130 0.000 2.290 693 Q HA 0.595 4.935 4.340 -0.000 0.000 0.259 693 Q C -0.669 175.417 176.000 0.143 0.000 0.941 693 Q CA -0.725 55.115 55.803 0.063 0.000 0.912 693 Q CB 2.089 30.901 28.738 0.124 0.000 1.244 693 Q HN 0.497 nan 8.270 nan 0.000 0.441 694 L N 4.027 125.224 121.223 -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 54.917 54.840 0.044 0.000 0.807 694 L CB 0.414 42.472 42.059 -0.002 0.000 1.192 694 L HN 0.572 nan 8.230 nan 0.000 0.425 695 W N 5.413 126.779 121.300 0.109 0.000 2.915 695 W HA 0.562 5.222 4.660 -0.000 0.000 0.337 695 W C -1.063 175.561 176.519 0.175 0.000 1.102 695 W CA -0.715 56.717 57.345 0.146 0.000 1.224 695 W CB 1.683 31.255 29.460 0.187 0.000 1.416 695 W HN 0.279 nan 8.180 nan 0.000 0.503 696 L N 2.915 124.438 121.223 0.499 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 0.097 55.199 54.840 0.437 0.000 0.806 696 L CB 1.343 43.604 42.059 0.336 0.000 1.214 696 L HN 0.368 nan 8.230 nan 0.000 0.426 697 T N 4.839 119.636 114.554 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 0.302 0.000 1.000 697 T CA -0.454 61.837 62.100 0.318 0.000 0.978 697 T CB 1.609 70.599 68.868 0.204 0.000 0.997 697 T HN 0.615 nan 8.240 nan 0.000 0.443 698 V N 1.548 121.596 119.914 0.222 0.000 2.715 698 V HA 0.893 5.013 4.120 -0.000 0.000 0.310 698 V C -0.625 175.524 176.094 0.091 0.000 1.054 698 V CA -1.074 61.316 62.300 0.150 0.000 0.928 698 V CB 1.926 33.753 31.823 0.007 0.000 1.007 698 V HN 0.809 nan 8.190 nan 0.000 0.437 699 R N 1.900 122.476 120.500 0.126 0.000 2.771 699 R HA 0.843 5.183 4.340 -0.000 0.000 0.274 699 R C -1.713 174.648 176.300 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 3.122 123.116 119.914 0.134 0.000 2.448 700 V HA 0.502 4.622 4.120 -0.000 0.000 0.295 700 V C -0.613 175.492 176.094 0.018 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 4.225 124.094 119.914 -0.075 0.000 2.769 701 V HA 0.486 4.606 4.120 -0.000 0.000 0.312 701 V C -0.427 175.665 176.094 -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 3.887 123.719 119.800 0.052 0.000 2.465 702 Q HA 0.277 4.617 4.340 -0.000 0.000 0.237 702 Q C -1.837 174.180 176.000 0.029 0.000 1.051 702 Q CA -1.809 54.036 55.803 0.071 0.000 0.874 702 Q CB 1.811 30.622 28.738 0.122 0.000 1.207 702 Q HN 0.504 nan 8.270 nan 0.000 0.508 703 P HA -0.221 nan 4.420 nan 0.000 0.214 703 P C -0.532 176.769 177.300 0.002 0.000 1.163 703 P CA 1.403 64.512 63.100 0.015 0.000 0.889 703 P CB 0.264 31.980 31.700 0.027 0.000 0.790 704 N N -0.771 117.925 118.700 -0.007 0.000 2.473 704 N HA 0.435 5.175 4.740 -0.000 0.000 0.291 704 N C -0.224 175.243 175.510 -0.072 0.000 1.083 704 N CA -0.631 52.402 53.050 -0.028 0.000 0.951 704 N CB 0.804 39.278 38.487 -0.021 0.000 1.164 704 N HN 0.021 nan 8.380 nan 0.000 0.480 705 A N 0.743 123.511 122.820 -0.087 0.000 2.327 705 A HA 0.536 4.856 4.320 -0.000 0.000 0.255 705 A C 0.578 178.039 177.584 -0.206 0.000 1.099 705 A CA -0.101 51.842 52.037 -0.156 0.000 0.801 705 A CB 0.062 18.989 19.000 -0.122 0.000 1.062 705 A HN 0.724 nan 8.150 nan 0.000 0.496 706 T N -3.869 110.472 114.554 -0.355 0.000 2.831 706 T HA 0.613 4.963 4.350 -0.000 0.000 0.287 706 T C 0.875 175.383 174.700 -0.320 0.000 1.070 706 T CA 0.069 61.934 62.100 -0.391 0.000 1.010 706 T CB 1.101 69.487 68.868 -0.804 0.000 1.264 706 T HN 1.428 nan 8.240 nan 0.000 0.532 707 A N -0.051 122.683 122.820 -0.144 0.000 2.121 707 A HA 0.109 4.429 4.320 -0.000 0.000 0.218 707 A C 1.558 179.254 177.584 0.186 0.000 1.154 707 A CA 1.108 53.199 52.037 0.090 0.000 0.679 707 A CB -0.866 18.281 19.000 0.246 0.000 0.795 707 A HN 0.914 nan 8.150 nan 0.000 0.458 708 W N -0.953 120.394 121.300 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 57.792 57.345 0.013 0.000 1.629 708 W CB -1.131 28.324 29.460 -0.008 0.000 1.106 708 W HN 0.419 nan 8.180 nan 0.000 0.545 709 S N 0.233 115.447 115.700 -0.810 0.000 2.541 709 S HA 0.415 4.885 4.470 -0.000 0.000 0.271 709 S C -0.500 173.834 174.600 -0.444 0.000 1.133 709 S CA -0.631 57.126 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 0.882 120.935 120.200 -0.245 0.000 2.369 710 E HA 0.517 4.867 4.350 -0.000 0.000 0.255 710 E C 0.485 177.034 176.600 -0.085 0.000 1.172 710 E CA -0.370 55.961 56.400 -0.114 0.000 0.932 710 E CB 0.946 30.630 29.700 -0.027 0.000 1.040 710 E HN 0.883 nan 8.360 nan 0.000 0.454 711 A N -0.338 122.454 122.820 -0.047 0.000 2.351 711 A HA 0.468 4.788 4.320 -0.000 0.000 0.257 711 A C 0.991 178.583 177.584 0.014 0.000 1.087 711 A CA 0.457 52.479 52.037 -0.024 0.000 0.798 711 A CB 0.017 19.005 19.000 -0.020 0.000 1.033 711 A HN 0.720 nan 8.150 nan 0.000 0.488 712 G N 0.011 108.824 108.800 0.022 0.000 2.147 712 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.244 712 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.244 712 G C 0.102 175.037 174.900 0.058 0.000 1.005 712 G CA 0.739 45.853 45.100 0.022 0.000 0.713 712 G HN 1.626 nan 8.290 nan 0.000 0.515 713 H N 0.169 119.229 119.070 -0.017 0.000 2.732 713 H HA 0.515 5.071 4.556 -0.000 0.000 0.351 713 H C 0.458 175.828 175.328 0.070 0.000 1.090 713 H CA -0.632 55.431 56.048 0.025 0.000 1.431 713 H CB 0.342 30.108 29.762 0.008 0.000 1.447 713 H HN 0.043 nan 8.280 nan 0.000 0.582 714 I N 4.735 125.027 120.570 -0.464 0.000 2.325 714 I HA 0.020 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 61.210 61.300 -0.258 0.000 1.302 714 I CB 0.631 38.556 38.000 -0.125 0.000 1.401 714 I HN 0.829 nan 8.210 nan 0.000 0.485 715 S N 4.046 119.788 115.700 0.071 0.000 2.505 715 S HA 0.632 5.102 4.470 -0.000 0.000 0.216 715 S C 0.558 175.398 174.600 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 0.494 0.000 0.818 715 S HN 0.738 nan 8.310 nan 0.000 0.497 716 A N 0.499 123.584 122.820 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 0.395 19.686 19.000 0.486 0.000 1.278 716 A HN 0.897 nan 8.150 nan 0.000 0.410 717 W N 0.110 121.561 121.300 0.252 0.000 3.025 717 W HA 0.821 5.481 4.660 -0.000 0.000 0.343 717 W C -1.132 175.409 176.519 0.038 0.000 1.246 717 W CA -0.658 56.725 57.345 0.064 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 1.663 121.484 119.800 0.035 0.000 2.545 718 Q HA 0.341 4.681 4.340 -0.000 0.000 0.273 718 Q C -1.635 174.144 176.000 -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 2.946 122.484 119.800 -0.436 0.000 2.456 719 Q HA 0.663 5.003 4.340 -0.000 0.000 0.283 719 Q C -1.372 174.517 176.000 -0.186 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 0.326 0.000 3.033 720 W HA 0.468 5.128 4.660 -0.000 0.000 0.336 720 W C -0.521 176.051 176.519 0.090 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 0.738 176.831 176.300 -0.346 0.000 1.020 721 R CA -0.163 55.483 56.100 -0.757 0.000 0.864 721 R CB 0.594 30.069 30.300 -1.375 0.000 1.105 721 R HN 0.593 nan 8.270 nan 0.000 0.463 722 L N 2.724 123.793 121.223 -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 -0.072 0.000 0.907 722 L HN 0.668 nan 8.230 nan 0.000 0.439 723 A N -0.826 121.881 122.820 -0.188 0.000 2.568 723 A HA 0.652 4.972 4.320 -0.000 0.000 0.291 723 A C -1.443 176.050 177.584 -0.153 0.000 1.159 723 A CA -0.423 51.529 52.037 -0.141 0.000 0.679 723 A CB 1.922 20.874 19.000 -0.081 0.000 1.285 723 A HN 0.054 nan 8.150 nan 0.000 0.428 724 E N 0.135 120.277 120.200 -0.096 0.000 2.304 724 E HA 0.425 4.775 4.350 -0.000 0.000 0.277 724 E C -1.815 174.768 176.600 -0.029 0.000 0.898 724 E CA -0.631 55.729 56.400 -0.067 0.000 0.764 724 E CB 1.377 31.033 29.700 -0.074 0.000 1.216 724 E HN 0.539 nan 8.360 nan 0.000 0.419 725 N N 4.422 123.118 118.700 -0.006 0.000 2.564 725 N HA 0.292 5.032 4.740 -0.000 0.000 0.248 725 N C -0.651 174.870 175.510 0.018 0.000 0.986 725 N CA -0.333 52.721 53.050 0.007 0.000 0.921 725 N CB 1.073 39.569 38.487 0.015 0.000 1.136 725 N HN 0.487 nan 8.380 nan 0.000 0.509 726 L N 0.816 122.048 121.223 0.015 0.000 2.490 726 L HA 0.067 4.407 4.340 -0.000 0.000 0.274 726 L C 1.153 178.041 176.870 0.030 0.000 1.201 726 L CA 0.291 55.146 54.840 0.025 0.000 0.869 726 L CB 0.508 42.579 42.059 0.021 0.000 1.123 726 L HN 0.353 nan 8.230 nan 0.000 0.484 727 S N 2.058 117.781 115.700 0.040 0.000 2.439 727 S HA 0.257 4.727 4.470 -0.000 0.000 0.282 727 S C 0.519 175.141 174.600 0.037 0.000 1.170 727 S CA -0.913 57.312 58.200 0.041 0.000 1.054 727 S CB 0.722 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 2.792 122.725 119.914 0.031 0.000 3.177 728 V HA 0.321 4.441 4.120 -0.000 0.000 0.342 728 V C 0.777 176.888 176.094 0.029 0.000 1.379 728 V CA -0.079 62.238 62.300 0.028 0.000 1.191 728 V CB -1.150 30.687 31.823 0.023 0.000 1.167 728 V HN 0.835 nan 8.190 nan 0.000 0.471 729 T N -0.188 114.385 114.554 0.032 0.000 2.902 729 T HA 0.778 5.128 4.350 -0.000 0.000 0.280 729 T C -0.535 174.185 174.700 0.032 0.000 0.992 729 T CA -0.593 61.525 62.100 0.031 0.000 1.015 729 T CB 1.985 70.870 68.868 0.030 0.000 1.044 729 T HN 0.220 nan 8.240 nan 0.000 0.520 730 L N 1.736 122.977 121.223 0.029 0.000 2.334 730 L HA 0.568 4.908 4.340 -0.000 0.000 0.276 730 L C -2.059 174.827 176.870 0.028 0.000 1.014 730 L CA -2.115 52.742 54.840 0.029 0.000 0.815 730 L CB 0.650 42.724 42.059 0.025 0.000 1.268 730 L HN 0.579 nan 8.230 nan 0.000 0.428 731 P HA 0.270 nan 4.420 nan 0.000 0.267 731 P C -0.475 176.837 177.300 0.020 0.000 1.209 731 P CA -0.337 62.778 63.100 0.024 0.000 0.763 731 P CB 0.858 32.573 31.700 0.025 0.000 0.816 732 A N 3.305 126.135 122.820 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 18.753 19.000 0.020 0.000 1.029 732 A HN 0.743 nan 8.150 nan 0.000 0.495 733 A N 1.083 123.922 122.820 0.032 0.000 2.466 733 A HA 0.499 4.819 4.320 -0.000 0.000 0.238 733 A C 0.762 178.338 177.584 -0.012 0.000 1.074 733 A CA 0.457 52.518 52.037 0.041 0.000 0.774 733 A CB -0.364 18.688 19.000 0.087 0.000 1.015 733 A HN 1.546 nan 8.150 nan 0.000 0.498 734 S N 0.157 115.849 115.700 -0.013 0.000 2.593 734 S HA 0.514 4.984 4.470 -0.000 0.000 0.297 734 S C 0.063 174.687 174.600 0.040 0.000 1.112 734 S CA -0.720 57.416 58.200 -0.107 0.000 1.043 734 S CB 0.902 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 0.242 119.322 119.070 0.016 0.000 2.539 735 H HA 0.609 5.165 4.556 -0.000 0.000 0.267 735 H C 0.653 175.988 175.328 0.012 0.000 0.982 735 H CA 0.444 56.499 56.048 0.012 0.000 1.146 735 H CB -0.298 29.470 29.762 0.010 0.000 1.382 735 H HN 0.792 nan 8.280 nan 0.000 0.577 736 A N 0.583 123.464 122.820 0.101 0.000 2.557 736 A HA 0.659 4.979 4.320 -0.000 0.000 0.292 736 A C -1.133 176.480 177.584 0.048 0.000 1.139 736 A CA -0.715 51.364 52.037 0.069 0.000 0.665 736 A CB 1.340 20.380 19.000 0.067 0.000 1.285 736 A HN 0.205 nan 8.150 nan 0.000 0.433 737 I N -1.633 118.965 120.570 0.046 0.000 2.802 737 I HA 0.743 4.913 4.170 -0.000 0.000 0.298 737 I C -2.909 173.248 176.117 0.067 0.000 1.176 737 I CA -2.547 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 -0.027 nan 4.420 nan 0.000 0.267 738 P C -1.307 176.086 177.300 0.154 0.000 1.195 738 P CA 0.478 63.637 63.100 0.098 0.000 0.773 738 P CB 0.148 31.859 31.700 0.019 0.000 0.837 739 H N 2.038 121.137 119.070 0.049 0.000 2.587 739 H HA 0.356 4.912 4.556 -0.000 0.000 0.325 739 H C -0.749 174.604 175.328 0.042 0.000 1.012 739 H CA -1.143 54.926 56.048 0.034 0.000 1.213 739 H CB 0.861 30.645 29.762 0.036 0.000 1.431 739 H HN 0.196 nan 8.280 nan 0.000 0.492 740 L N 4.443 125.626 121.223 -0.067 0.000 2.453 740 L HA 0.329 4.669 4.340 -0.000 0.000 0.261 740 L C -0.634 176.062 176.870 -0.289 0.000 1.179 740 L CA 0.396 55.140 54.840 -0.160 0.000 0.813 740 L CB 1.395 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 2.544 117.016 114.554 -0.136 0.000 3.548 741 T HA 0.266 4.616 4.350 -0.000 0.000 0.329 741 T C -0.398 174.357 174.700 0.092 0.000 0.960 741 T CA -0.555 61.503 62.100 -0.071 0.000 1.041 741 T CB 0.866 69.650 68.868 -0.140 0.000 1.065 741 T HN 0.725 nan 8.240 nan 0.000 0.459 742 T N 2.479 117.114 114.554 0.135 0.000 2.816 742 T HA 0.774 5.124 4.350 -0.000 0.000 0.282 742 T C 0.390 175.162 174.700 0.121 0.000 0.993 742 T CA -0.521 61.726 62.100 0.245 0.000 0.994 742 T CB 1.297 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 -1.066 114.678 115.700 0.074 0.000 2.703 743 S HA 0.300 4.770 4.470 -0.000 0.000 0.273 743 S C 0.422 174.996 174.600 -0.044 0.000 1.178 743 S CA -0.637 57.569 58.200 0.010 0.000 0.838 743 S CB 1.182 64.385 63.200 0.003 0.000 1.178 743 S HN 0.719 nan 8.310 nan 0.000 0.494 744 E N -0.199 119.974 120.200 -0.045 0.000 2.112 744 E HA 0.017 4.367 4.350 -0.000 0.000 0.190 744 E C 1.424 177.956 176.600 -0.113 0.000 0.979 744 E CA 0.942 57.303 56.400 -0.066 0.000 0.814 744 E CB -0.067 29.610 29.700 -0.038 0.000 0.762 744 E HN 0.558 nan 8.360 nan 0.000 0.460 745 M N 0.911 120.456 119.600 -0.092 0.000 2.476 745 M HA 0.101 4.581 4.480 -0.000 0.000 0.262 745 M C -0.128 176.085 176.300 -0.144 0.000 1.111 745 M CA 0.807 56.052 55.300 -0.092 0.000 1.127 745 M CB -0.587 31.991 32.600 -0.036 0.000 1.376 745 M HN 0.046 nan 8.290 nan 0.000 0.465 746 D N -1.931 118.359 120.400 -0.183 0.000 2.865 746 D HA 0.444 5.084 4.640 -0.000 0.000 0.343 746 D C -0.977 175.203 176.300 -0.201 0.000 1.372 746 D CA -0.708 53.153 54.000 -0.232 0.000 0.862 746 D CB 0.630 41.423 40.800 -0.010 0.000 1.425 746 D HN -0.031 nan 8.370 nan 0.000 0.501 750 E N 4.581 124.915 120.200 0.224 0.000 2.288 750 E HA 0.877 5.227 4.350 -0.000 0.000 0.268 750 E C -1.775 174.987 176.600 0.270 0.000 0.885 750 E CA -0.833 55.702 56.400 0.225 0.000 0.767 750 E CB 2.792 32.547 29.700 0.092 0.000 1.220 750 E HN 0.560 nan 8.360 nan 0.000 0.427 751 L N 4.143 125.516 121.223 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 43.205 42.059 0.311 0.000 1.320 751 L HN 0.790 nan 8.230 nan 0.000 0.473 752 G N 3.662 112.505 108.800 0.072 0.000 2.527 752 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.268 752 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.268 752 G C 0.591 175.486 174.900 -0.008 0.000 1.175 752 G CA 0.476 45.593 45.100 0.028 0.000 0.962 752 G HN 1.011 nan 8.290 nan 0.000 0.560 753 N N 0.969 119.649 118.700 -0.032 0.000 2.459 753 N HA 0.017 4.757 4.740 -0.000 0.000 0.181 753 N C 0.795 176.240 175.510 -0.108 0.000 1.046 753 N CA 1.429 54.441 53.050 -0.063 0.000 0.904 753 N CB -0.121 38.331 38.487 -0.058 0.000 0.964 753 N HN 0.763 nan 8.380 nan 0.000 0.444 754 K N 0.362 120.679 120.400 -0.138 0.000 2.298 754 K HA 0.327 4.647 4.320 -0.000 0.000 0.280 754 K C -0.195 176.189 176.600 -0.359 0.000 1.032 754 K CA -0.178 55.903 56.287 -0.344 0.000 0.958 754 K CB 1.144 33.371 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 -1.653 174.519 176.300 -0.214 0.000 1.031 755 R CA -0.640 55.345 56.100 -0.192 0.000 0.898 755 R CB 1.312 31.555 30.300 -0.095 0.000 1.222 755 R HN 0.595 nan 8.270 nan 0.000 0.455 756 W N 3.227 124.626 121.300 0.165 0.000 2.883 756 W HA 0.335 4.995 4.660 -0.000 0.000 0.335 756 W C -0.716 175.883 176.519 0.132 0.000 1.083 756 W CA -0.563 56.837 57.345 0.092 0.000 1.233 756 W CB 2.239 31.726 29.460 0.046 0.000 1.412 756 W HN 0.476 nan 8.180 nan 0.000 0.490 757 Q N 2.482 122.421 119.800 0.232 0.000 2.356 757 Q HA 0.521 4.861 4.340 -0.000 0.000 0.270 757 Q C -2.094 173.860 176.000 -0.077 0.000 1.058 757 Q CA -0.508 55.421 55.803 0.210 0.000 0.802 757 Q CB 1.909 30.834 28.738 0.311 0.000 1.303 757 Q HN 0.349 nan 8.270 nan 0.000 0.444 758 F N 2.763 122.801 119.950 0.148 0.000 2.402 758 F HA 0.313 4.840 4.527 -0.000 0.000 0.355 758 F C 0.524 176.340 175.800 0.027 0.000 1.123 758 F CA -0.870 57.183 58.000 0.088 0.000 1.021 758 F CB 1.440 40.505 39.000 0.109 0.000 1.160 758 F HN 0.561 nan 8.300 nan 0.000 0.451 759 N N 3.641 122.434 118.700 0.156 0.000 2.475 759 N HA 0.053 4.793 4.740 -0.000 0.000 0.267 759 N C 0.880 176.388 175.510 -0.002 0.000 1.169 759 N CA 0.075 53.164 53.050 0.064 0.000 0.947 759 N CB 0.750 39.286 38.487 0.080 0.000 1.061 759 N HN 0.713 nan 8.380 nan 0.000 0.466 760 R N 2.369 122.791 120.500 -0.129 0.000 2.276 760 R HA -0.063 4.277 4.340 -0.000 0.000 0.203 760 R C 1.125 177.349 176.300 -0.127 0.000 1.017 760 R CA 0.998 56.966 56.100 -0.220 0.000 1.010 760 R CB 0.268 30.328 30.300 -0.400 0.000 0.900 760 R HN 0.619 nan 8.270 nan 0.000 0.469 761 Q N -0.660 119.099 119.800 -0.068 0.000 2.204 761 Q HA -0.009 4.331 4.340 -0.000 0.000 0.198 761 Q C 2.082 178.061 176.000 -0.034 0.000 0.946 761 Q CA 1.523 57.297 55.803 -0.047 0.000 0.859 761 Q CB 0.346 29.074 28.738 -0.016 0.000 0.946 761 Q HN 0.249 nan 8.270 nan 0.000 0.474 762 S N -1.404 114.301 115.700 0.009 0.000 2.458 762 S HA 0.184 4.654 4.470 -0.000 0.000 0.223 762 S C 1.620 176.117 174.600 -0.172 0.000 1.019 762 S CA 0.508 58.735 58.200 0.045 0.000 0.937 762 S CB 0.129 63.481 63.200 0.253 0.000 0.788 762 S HN 0.457 nan 8.310 nan 0.000 0.511 763 G N 0.381 109.101 108.800 -0.133 0.000 2.148 763 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.254 763 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.254 763 G C -0.096 174.667 174.900 -0.230 0.000 0.981 763 G CA 0.374 45.370 45.100 -0.173 0.000 0.670 763 G HN 0.536 nan 8.290 nan 0.000 0.528 764 F N -1.307 118.822 119.950 0.299 0.000 2.541 764 F HA 0.683 5.210 4.527 -0.000 0.000 0.331 764 F C 0.513 176.373 175.800 0.100 0.000 1.057 764 F CA -1.444 56.705 58.000 0.248 0.000 0.975 764 F CB 1.315 40.411 39.000 0.162 0.000 1.246 764 F HN 0.007 nan 8.300 nan 0.000 0.484 765 L N 1.535 122.853 121.223 0.158 0.000 2.485 765 L HA 0.221 4.561 4.340 -0.000 0.000 0.279 765 L C 0.583 177.360 176.870 -0.156 0.000 1.124 765 L CA 0.664 55.213 54.840 -0.485 0.000 0.888 765 L CB 0.119 41.870 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 0.107 4.577 4.470 -0.000 0.000 0.225 766 S C 0.456 174.961 174.600 -0.159 0.000 1.024 766 S CA 0.427 58.588 58.200 -0.065 0.000 0.951 766 S CB -0.042 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 -1.648 174.043 176.000 -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 29.762 28.738 -0.643 0.000 1.467 767 Q HN 0.282 nan 8.270 nan 0.000 0.401 768 M N 0.073 119.222 119.600 -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 -0.329 54.621 55.300 -0.583 0.000 0.910 768 M CB 1.961 34.240 32.600 -0.534 0.000 1.725 768 M HN 0.508 nan 8.290 nan 0.000 0.477 769 W N 3.045 124.116 121.300 -0.382 0.000 2.864 769 W HA 0.704 5.364 4.660 -0.000 0.000 0.343 769 W C -1.534 174.781 176.519 -0.341 0.000 1.109 769 W CA -0.884 56.288 57.345 -0.287 0.000 1.192 769 W CB 2.059 31.384 29.460 -0.225 0.000 1.426 769 W HN 0.584 nan 8.180 nan 0.000 0.529 770 I N 2.419 122.993 120.570 0.006 0.000 2.448 770 I HA 0.437 4.607 4.170 -0.000 0.000 0.281 770 I C 0.728 176.838 176.117 -0.011 0.000 1.027 770 I CA 0.162 61.417 61.300 -0.075 0.000 1.111 770 I CB 1.130 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 5.583 114.370 108.800 -0.022 0.000 2.531 771 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.274 771 G HA3 -0.296 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 0.949 121.380 120.400 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 0.213 54.277 54.000 0.107 0.000 0.837 772 D CB 0.245 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 1.026 121.526 120.400 0.167 0.000 2.234 773 K HA 0.284 4.604 4.320 -0.000 0.000 0.277 773 K C -0.005 176.565 176.600 -0.050 0.000 1.038 773 K CA -0.469 55.857 56.287 0.064 0.000 0.888 773 K CB 1.711 34.206 32.500 -0.007 0.000 1.091 773 K HN -0.124 nan 8.250 nan 0.000 0.467 774 K N 1.910 122.190 120.400 -0.200 0.000 2.295 774 K HA 0.034 4.354 4.320 -0.000 0.000 0.270 774 K C 0.767 177.151 176.600 -0.360 0.000 1.011 774 K CA -0.187 55.756 56.287 -0.573 0.000 0.953 774 K CB 0.690 32.909 32.500 -0.468 0.000 0.956 774 K HN 0.429 nan 8.250 nan 0.000 0.477 775 Q N 1.044 120.602 119.800 -0.404 0.000 2.316 775 Q HA 0.206 4.546 4.340 -0.000 0.000 0.235 775 Q C -0.125 175.782 176.000 -0.155 0.000 0.863 775 Q CA 0.430 56.119 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 0.726 177.470 176.870 -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 0.064 121.155 121.223 -0.220 0.000 2.477 777 L HA 0.248 4.588 4.340 -0.000 0.000 0.220 777 L C 0.578 177.335 176.870 -0.188 0.000 1.106 777 L CA 0.741 55.456 54.840 -0.209 0.000 0.851 777 L CB 0.275 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 -0.260 114.172 114.554 -0.204 0.000 2.916 778 T HA 0.420 4.770 4.350 -0.000 0.000 0.305 778 T C -2.686 171.959 174.700 -0.092 0.000 1.119 778 T CA -1.277 60.744 62.100 -0.131 0.000 1.008 778 T CB 2.324 71.091 68.868 -0.168 0.000 1.129 778 T HN -0.280 nan 8.240 nan 0.000 0.480 779 P HA 0.268 nan 4.420 nan 0.000 0.272 779 P C -0.765 176.507 177.300 -0.047 0.000 1.223 779 P CA -0.735 62.345 63.100 -0.033 0.000 0.784 779 P CB 0.415 32.121 31.700 0.010 0.000 0.923 780 L N 3.908 125.139 121.223 0.014 0.000 2.369 780 L HA 0.252 4.592 4.340 -0.000 0.000 0.279 780 L C 0.542 177.358 176.870 -0.089 0.000 1.108 780 L CA 0.457 55.329 54.840 0.054 0.000 0.852 780 L CB -0.780 41.419 42.059 0.235 0.000 1.169 780 L HN 0.463 nan 8.230 nan 0.000 0.452 781 R N 1.957 122.352 120.500 -0.176 0.000 2.799 781 R HA 0.616 4.956 4.340 -0.000 0.000 0.270 781 R C -1.085 175.093 176.300 -0.203 0.000 1.010 781 R CA -1.107 54.787 56.100 -0.343 0.000 0.916 781 R CB 0.631 30.369 30.300 -0.937 0.000 1.228 781 R HN 0.373 nan 8.270 nan 0.000 0.469 782 D N 0.897 121.207 120.400 -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 0.554 54.335 54.000 -0.366 0.000 0.884 782 D CB 0.703 41.294 40.800 -0.347 0.000 1.199 782 D HN 0.351 nan 8.370 nan 0.000 0.438 783 Q N 1.638 120.849 119.800 -0.981 0.000 2.289 783 Q HA 0.310 4.649 4.340 -0.000 0.000 0.270 783 Q C -1.210 174.056 176.000 -1.222 0.000 1.038 783 Q CA -0.592 54.689 55.803 -0.870 0.000 0.812 783 Q CB 0.849 29.308 28.738 -0.466 0.000 1.300 783 Q HN 0.562 nan 8.270 nan 0.000 0.427 784 F N 0.572 120.193 119.950 -0.548 0.000 2.706 784 F HA 0.177 4.704 4.527 -0.000 0.000 0.313 784 F C 0.883 176.303 175.800 -0.633 0.000 1.096 784 F CA -0.078 57.505 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 0.490 nan 8.300 nan 0.000 0.568 785 T N -0.794 113.505 114.554 -0.424 0.000 2.883 785 T HA 0.754 5.104 4.350 -0.000 0.000 0.284 785 T C -0.488 173.973 174.700 -0.397 0.000 1.041 785 T CA -0.925 60.837 62.100 -0.562 0.000 1.007 785 T CB 2.584 71.071 68.868 -0.635 0.000 1.220 785 T HN 0.226 nan 8.240 nan 0.000 0.552 786 R N -0.541 119.752 120.500 -0.345 0.000 2.774 786 R HA 0.738 5.078 4.340 -0.000 0.000 0.272 786 R C -1.163 175.181 176.300 0.075 0.000 1.000 786 R CA -1.184 54.844 56.100 -0.120 0.000 0.906 786 R CB 1.490 31.726 30.300 -0.106 0.000 1.227 786 R HN 0.823 nan 8.270 nan 0.000 0.468 787 A N 3.386 126.239 122.820 0.054 0.000 2.444 787 A HA 0.325 4.645 4.320 -0.000 0.000 0.287 787 A C -2.029 175.613 177.584 0.097 0.000 1.195 787 A CA -1.556 50.517 52.037 0.059 0.000 0.858 787 A CB -0.469 18.517 19.000 -0.023 0.000 1.117 787 A HN 0.538 nan 8.150 nan 0.000 0.521 788 P HA -0.051 nan 4.420 nan 0.000 0.261 788 P C -0.208 177.194 177.300 0.170 0.000 1.158 788 P CA 0.768 64.019 63.100 0.251 0.000 0.758 788 P CB 0.223 32.096 31.700 0.289 0.000 0.763 789 L N 2.472 123.770 121.223 0.124 0.000 2.454 789 L HA 0.210 4.550 4.340 -0.000 0.000 0.256 789 L C 1.856 178.740 176.870 0.024 0.000 1.136 789 L CA -0.584 54.267 54.840 0.019 0.000 0.804 789 L CB 0.070 42.075 42.059 -0.091 0.000 1.181 789 L HN 0.288 nan 8.230 nan 0.000 0.469 790 D N 0.438 120.793 120.400 -0.075 0.000 2.116 790 D HA -0.171 4.469 4.640 -0.000 0.000 0.193 790 D C 1.632 177.867 176.300 -0.108 0.000 0.998 790 D CA 1.499 55.389 54.000 -0.183 0.000 0.836 790 D CB 0.044 40.648 40.800 -0.327 0.000 0.951 790 D HN 0.489 nan 8.370 nan 0.000 0.449 791 N N 1.137 119.787 118.700 -0.083 0.000 2.205 791 N HA -0.126 4.614 4.740 -0.000 0.000 0.186 791 N C 1.193 176.724 175.510 0.036 0.000 1.015 791 N CA 0.785 53.817 53.050 -0.029 0.000 0.862 791 N CB -0.297 38.158 38.487 -0.052 0.000 0.986 791 N HN 0.252 nan 8.380 nan 0.000 0.429 792 D N 0.172 120.609 120.400 0.061 0.000 2.264 792 D HA 0.013 4.653 4.640 -0.000 0.000 0.208 792 D C 1.893 178.262 176.300 0.114 0.000 0.966 792 D CA 0.430 54.509 54.000 0.131 0.000 0.864 792 D CB 0.151 41.106 40.800 0.258 0.000 0.933 792 D HN 0.353 nan 8.370 nan 0.000 0.499 793 I N -0.415 120.201 120.570 0.077 0.000 2.729 793 I HA 0.110 4.280 4.170 -0.000 0.000 0.256 793 I C 1.892 178.044 176.117 0.058 0.000 1.115 793 I CA 0.605 61.940 61.300 0.059 0.000 1.446 793 I CB -0.148 37.865 38.000 0.022 0.000 1.176 793 I HN 0.072 nan 8.210 nan 0.000 0.446 794 G N 1.421 110.267 108.800 0.077 0.000 2.565 794 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.295 794 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.295 794 G C 0.689 175.756 174.900 0.279 0.000 1.165 794 G CA 0.933 46.142 45.100 0.181 0.000 0.977 794 G HN 0.655 nan 8.290 nan 0.000 0.546 795 V N -2.211 117.806 119.914 0.173 0.000 3.214 795 V HA 0.704 4.824 4.120 -0.000 0.000 0.330 795 V C 0.951 177.067 176.094 0.037 0.000 1.403 795 V CA 1.026 63.385 62.300 0.099 0.000 1.143 795 V CB 0.331 32.117 31.823 -0.063 0.000 1.098 795 V HN 1.254 nan 8.190 nan 0.000 0.463 796 S N 1.321 117.046 115.700 0.042 0.000 2.533 796 S HA 0.361 4.831 4.470 -0.000 0.000 0.282 796 S C -0.148 174.467 174.600 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 63.674 63.200 0.014 0.000 0.881 796 S HN 0.815 nan 8.310 nan 0.000 0.493 797 E N 1.859 122.067 120.200 0.014 0.000 2.343 797 E HA 0.618 4.968 4.350 -0.000 0.000 0.270 797 E C 0.639 177.252 176.600 0.021 0.000 0.895 797 E CA -0.387 56.026 56.400 0.022 0.000 0.767 797 E CB 1.517 31.224 29.700 0.012 0.000 1.248 797 E HN 0.626 nan 8.360 nan 0.000 0.440 798 A N 1.459 124.298 122.820 0.032 0.000 1.903 798 A HA -0.261 4.059 4.320 -0.000 0.000 0.219 798 A C 2.115 179.712 177.584 0.022 0.000 1.191 798 A CA 2.790 54.846 52.037 0.031 0.000 0.638 798 A CB -1.234 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 -2.333 112.232 114.554 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 0.001 0.000 1.040 799 T CA 1.294 63.400 62.100 0.011 0.000 1.147 799 T CB -0.124 68.749 68.868 0.009 0.000 0.865 799 T HN 0.346 nan 8.240 nan 0.000 0.426 800 R N 0.547 121.044 120.500 -0.005 0.000 2.402 800 R HA 0.504 4.844 4.340 -0.000 0.000 0.290 800 R C -1.120 175.170 176.300 -0.016 0.000 1.321 800 R CA -0.558 55.532 56.100 -0.017 0.000 1.283 800 R CB 0.207 30.488 30.300 -0.031 0.000 1.111 800 R HN 0.414 nan 8.270 nan 0.000 0.578 801 I N 1.853 122.416 120.570 -0.011 0.000 2.634 801 I HA -0.055 4.115 4.170 -0.000 0.000 0.284 801 I C 0.238 176.341 176.117 -0.025 0.000 1.124 801 I CA 0.526 61.819 61.300 -0.011 0.000 1.417 801 I CB 0.807 38.804 38.000 -0.006 0.000 1.396 801 I HN 0.398 nan 8.210 nan 0.000 0.571 802 D N 8.674 129.057 120.400 -0.029 0.000 2.477 802 D HA 0.279 4.919 4.640 -0.000 0.000 0.239 802 D C -1.693 174.566 176.300 -0.069 0.000 1.102 802 D CA -2.371 51.602 54.000 -0.045 0.000 0.901 802 D CB 1.145 41.921 40.800 -0.039 0.000 1.026 802 D HN 0.133 nan 8.370 nan 0.000 0.515 803 P HA -0.169 nan 4.420 nan 0.000 0.219 803 P C 0.429 177.636 177.300 -0.154 0.000 1.144 803 P CA 1.040 64.083 63.100 -0.096 0.000 0.806 803 P CB 0.286 31.938 31.700 -0.081 0.000 0.771 804 N N -0.550 118.050 118.700 -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 -0.066 38.285 38.487 -0.227 0.000 0.977 804 N HN 0.097 nan 8.380 nan 0.000 0.462 805 A N 0.669 123.349 122.820 -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 -0.339 51.566 52.037 -0.220 0.000 0.758 805 A CB -0.012 18.939 19.000 -0.082 0.000 0.991 805 A HN 0.334 nan 8.150 nan 0.000 0.502 806 W N 1.922 122.958 121.300 -0.439 0.000 2.302 806 W HA -0.224 4.436 4.660 -0.000 0.000 0.320 806 W C 2.271 178.246 176.519 -0.908 0.000 1.241 806 W CA 1.938 58.736 57.345 -0.911 0.000 1.264 806 W CB -0.481 28.290 29.460 -1.149 0.000 1.154 806 W HN 0.564 nan 8.180 nan 0.000 0.483 807 V N 0.776 120.610 119.914 -0.134 0.000 2.324 807 V HA -0.315 3.805 4.120 -0.000 0.000 0.250 807 V C 2.288 178.488 176.094 0.177 0.000 1.060 807 V CA 2.283 64.732 62.300 0.248 0.000 1.042 807 V CB -0.475 31.512 31.823 0.273 0.000 0.650 807 V HN 0.092 nan 8.190 nan 0.000 0.450 808 E N 0.165 120.369 120.200 0.007 0.000 2.051 808 E HA -0.193 4.157 4.350 -0.000 0.000 0.192 808 E C 2.352 178.932 176.600 -0.034 0.000 0.991 808 E CA 1.509 57.904 56.400 -0.009 0.000 0.799 808 E CB -0.394 29.270 29.700 -0.059 0.000 0.748 808 E HN 0.661 nan 8.360 nan 0.000 0.449 809 R N -0.395 120.007 120.500 -0.164 0.000 2.075 809 R HA -0.112 4.228 4.340 -0.000 0.000 0.232 809 R C 2.315 178.570 176.300 -0.074 0.000 1.126 809 R CA 1.067 57.051 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 -0.096 120.531 120.400 0.378 0.000 1.985 811 K HA -0.124 4.196 4.320 -0.000 0.000 0.210 811 K C 2.202 178.883 176.600 0.134 0.000 1.047 811 K CA 1.750 58.224 56.287 0.312 0.000 0.932 811 K CB -0.689 31.941 32.500 0.218 0.000 0.716 811 K HN -0.015 nan 8.250 nan 0.000 0.439 812 A N 1.280 124.145 122.820 0.076 0.000 1.978 812 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 812 A C 2.213 179.802 177.584 0.008 0.000 1.170 812 A CA 1.949 54.009 52.037 0.038 0.000 0.636 812 A CB -0.527 18.479 19.000 0.010 0.000 0.810 812 A HN 0.395 nan 8.150 nan 0.000 0.448 813 A N -2.064 120.738 122.820 -0.029 0.000 2.119 813 A HA 0.379 4.699 4.320 -0.000 0.000 0.216 813 A C 1.931 179.426 177.584 -0.149 0.000 1.152 813 A CA 1.340 53.356 52.037 -0.035 0.000 0.708 813 A CB -0.812 18.145 19.000 -0.071 0.000 0.805 813 A HN 1.912 nan 8.150 nan 0.000 0.460 814 G N -1.856 106.806 108.800 -0.230 0.000 2.141 814 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.242 814 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.242 814 G C 0.624 175.484 174.900 -0.067 0.000 0.982 814 G CA 0.672 45.437 45.100 -0.558 0.000 0.662 814 G HN 0.723 nan 8.290 nan 0.000 0.527 815 H N -1.238 117.782 119.070 -0.082 0.000 2.353 815 H HA -0.134 4.422 4.556 -0.000 0.000 0.298 815 H C 2.191 177.478 175.328 -0.070 0.000 1.103 815 H CA 1.674 57.680 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 0.798 121.214 120.300 0.193 0.000 2.571 816 Y HA -0.124 4.426 4.550 -0.000 0.000 0.294 816 Y C 1.643 177.622 175.900 0.131 0.000 1.141 816 Y CA 0.801 58.979 58.100 0.129 0.000 1.308 816 Y CB 0.323 38.846 38.460 0.105 0.000 1.002 816 Y HN 0.402 nan 8.280 nan 0.000 0.551 817 Q N -0.980 118.976 119.800 0.260 0.000 2.063 817 Q HA 0.473 4.813 4.340 -0.000 0.000 0.245 817 Q C -0.270 175.905 176.000 0.292 0.000 0.828 817 Q CA -0.362 55.595 55.803 0.257 0.000 1.089 817 Q CB 0.307 29.189 28.738 0.240 0.000 1.232 817 Q HN 0.110 nan 8.270 nan 0.000 0.445 818 A N 1.103 124.104 122.820 0.301 0.000 2.351 818 A HA 0.385 4.705 4.320 -0.000 0.000 0.257 818 A C -0.097 177.735 177.584 0.414 0.000 1.087 818 A CA -0.177 52.077 52.037 0.362 0.000 0.798 818 A CB 0.521 19.723 19.000 0.336 0.000 1.033 818 A HN 0.308 nan 8.150 nan 0.000 0.488 819 E N 0.612 120.995 120.200 0.306 0.000 2.133 819 E HA 0.481 4.831 4.350 -0.000 0.000 0.274 819 E C -0.069 176.514 176.600 -0.029 0.000 0.930 819 E CA -0.216 56.289 56.400 0.175 0.000 0.770 819 E CB 1.714 31.483 29.700 0.115 0.000 1.104 819 E HN 0.730 nan 8.360 nan 0.000 0.403 820 A N 2.363 125.044 122.820 -0.231 0.000 2.407 820 A HA 0.600 4.920 4.320 -0.000 0.000 0.248 820 A C -0.231 177.180 177.584 -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 19.100 19.000 -0.716 0.000 1.020 820 A HN 0.553 nan 8.150 nan 0.000 0.489 821 A N 2.073 124.719 122.820 -0.290 0.000 2.375 821 A HA 0.554 4.874 4.320 -0.000 0.000 0.295 821 A C -0.696 176.783 177.584 -0.175 0.000 1.066 821 A CA -0.566 51.384 52.037 -0.144 0.000 0.722 821 A CB 0.724 19.666 19.000 -0.097 0.000 1.206 821 A HN 1.068 nan 8.150 nan 0.000 0.435 822 L N 3.340 124.439 121.223 -0.206 0.000 2.462 822 L HA 0.206 4.546 4.340 -0.000 0.000 0.272 822 L C 0.627 177.349 176.870 -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 42.000 42.059 -0.329 0.000 1.142 822 L HN 0.835 nan 8.230 nan 0.000 0.473 823 L N 3.640 124.710 121.223 -0.255 0.000 2.425 823 L HA 0.199 4.539 4.340 -0.000 0.000 0.215 823 L C 0.447 177.249 176.870 -0.113 0.000 1.065 823 L CA 0.191 54.954 54.840 -0.127 0.000 0.842 823 L CB 0.204 42.224 42.059 -0.066 0.000 1.033 823 L HN 0.793 nan 8.230 nan 0.000 0.474 824 Q N -0.583 119.120 119.800 -0.161 0.000 2.617 824 Q HA 0.289 4.629 4.340 -0.000 0.000 0.270 824 Q C -1.846 174.095 176.000 -0.098 0.000 0.967 824 Q CA -0.756 54.989 55.803 -0.096 0.000 0.887 824 Q CB 2.283 30.996 28.738 -0.041 0.000 1.516 824 Q HN 0.019 nan 8.270 nan 0.000 0.395 825 C N 2.783 122.063 119.300 -0.033 0.000 2.705 825 C HA 0.886 5.346 4.460 -0.000 0.000 0.369 825 C C -1.063 173.997 174.990 0.115 0.000 1.069 825 C CA 0.769 59.804 59.018 0.030 0.000 1.260 825 C CB 0.815 28.564 27.740 0.015 0.000 1.764 825 C HN 0.923 nan 8.230 nan 0.000 0.469 826 T N 2.824 117.416 114.554 0.063 0.000 2.896 826 T HA 0.894 5.244 4.350 -0.000 0.000 0.297 826 T C -0.536 174.033 174.700 -0.217 0.000 1.108 826 T CA -0.018 62.079 62.100 -0.005 0.000 1.004 826 T CB 1.831 70.683 68.868 -0.026 0.000 1.159 826 T HN 2.018 nan 8.240 nan 0.000 0.499 827 A N 1.610 124.171 122.820 -0.431 0.000 2.401 827 A HA 0.839 5.159 4.320 -0.000 0.000 0.310 827 A C -1.206 176.163 177.584 -0.357 0.000 1.075 827 A CA -0.639 51.035 52.037 -0.605 0.000 0.746 827 A CB 1.436 19.672 19.000 -1.274 0.000 1.277 827 A HN 0.893 nan 8.150 nan 0.000 0.425 828 D N 0.199 120.434 120.400 -0.276 0.000 2.736 828 D HA 0.428 5.068 4.640 -0.000 0.000 0.223 828 D C -1.310 174.908 176.300 -0.136 0.000 1.231 828 D CA -0.012 53.886 54.000 -0.169 0.000 0.818 828 D CB 2.412 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 1.847 116.345 114.554 -0.093 0.000 2.758 829 T HA 0.487 4.837 4.350 -0.000 0.000 0.285 829 T C 0.110 174.784 174.700 -0.044 0.000 0.981 829 T CA -0.512 61.550 62.100 -0.063 0.000 0.965 829 T CB 0.894 69.740 68.868 -0.037 0.000 0.927 829 T HN 0.062 nan 8.240 nan 0.000 0.448 830 L N 1.701 122.899 121.223 -0.041 0.000 2.376 830 L HA 0.668 5.008 4.340 -0.000 0.000 0.267 830 L C 1.751 178.611 176.870 -0.017 0.000 1.035 830 L CA -0.483 54.340 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 0.864 178.448 177.584 -0.001 0.000 1.164 831 A CA 1.944 53.979 52.037 -0.004 0.000 0.644 831 A CB -0.692 18.308 19.000 -0.001 0.000 0.805 831 A HN 0.857 nan 8.150 nan 0.000 0.449 832 D N -2.574 117.823 120.400 -0.004 0.000 2.500 832 D HA 0.560 5.199 4.640 -0.000 0.000 0.217 832 D C 0.263 176.557 176.300 -0.010 0.000 1.159 832 D CA 0.659 54.659 54.000 -0.001 0.000 0.828 832 D CB 0.460 41.262 40.800 0.003 0.000 1.039 832 D HN 0.493 nan 8.370 nan 0.000 0.512 833 A N -0.429 122.378 122.820 -0.022 0.000 2.467 833 A HA 0.636 4.956 4.320 -0.000 0.000 0.301 833 A C -1.773 175.776 177.584 -0.057 0.000 1.126 833 A CA -0.765 51.247 52.037 -0.041 0.000 0.632 833 A CB 0.739 19.712 19.000 -0.046 0.000 1.331 833 A HN -0.013 nan 8.150 nan 0.000 0.482 834 V N 0.274 120.134 119.914 -0.089 0.000 2.581 834 V HA 0.695 4.815 4.120 -0.000 0.000 0.303 834 V C -0.922 175.091 176.094 -0.134 0.000 1.041 834 V CA -0.482 61.748 62.300 -0.117 0.000 0.907 834 V CB 1.370 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 5.698 126.833 121.223 -0.147 0.000 2.356 835 L HA 0.680 5.020 4.340 -0.000 0.000 0.277 835 L C -0.969 175.786 176.870 -0.191 0.000 0.996 835 L CA -0.085 54.677 54.840 -0.131 0.000 0.822 835 L CB 1.475 43.480 42.059 -0.090 0.000 1.256 835 L HN 0.407 nan 8.230 nan 0.000 0.413 836 I N 3.455 123.921 120.570 -0.174 0.000 2.474 836 I HA 0.594 4.764 4.170 -0.000 0.000 0.294 836 I C 0.146 176.251 176.117 -0.021 0.000 1.005 836 I CA -0.417 60.745 61.300 -0.229 0.000 1.113 836 I CB 1.784 39.456 38.000 -0.546 0.000 1.289 836 I HN 0.705 nan 8.210 nan 0.000 0.436 837 T N 1.932 116.472 114.554 -0.023 0.000 2.886 837 T HA 0.851 5.201 4.350 -0.000 0.000 0.292 837 T C -0.364 174.389 174.700 0.089 0.000 1.012 837 T CA -0.462 61.676 62.100 0.064 0.000 0.982 837 T CB 2.043 70.928 68.868 0.028 0.000 1.018 837 T HN 0.779 nan 8.240 nan 0.000 0.451 838 T N -0.453 114.195 114.554 0.157 0.000 2.887 838 T HA 0.884 5.234 4.350 -0.000 0.000 0.292 838 T C -0.752 174.031 174.700 0.138 0.000 1.087 838 T CA -0.823 61.358 62.100 0.135 0.000 1.009 838 T CB 1.647 70.697 68.868 0.302 0.000 1.203 838 T HN 1.620 nan 8.240 nan 0.000 0.518 839 A N 1.318 124.153 122.820 0.024 0.000 2.480 839 A HA 0.711 5.031 4.320 -0.000 0.000 0.289 839 A C -1.485 176.058 177.584 -0.069 0.000 1.044 839 A CA -0.769 51.324 52.037 0.093 0.000 0.761 839 A CB 0.668 19.697 19.000 0.049 0.000 1.289 839 A HN 0.977 nan 8.150 nan 0.000 0.401 840 H N 0.258 119.388 119.070 0.100 0.000 2.834 840 H HA 0.878 5.434 4.556 -0.000 0.000 0.369 840 H C -0.001 175.345 175.328 0.029 0.000 1.174 840 H CA 0.109 56.125 56.048 -0.053 0.000 1.165 840 H CB 2.104 31.709 29.762 -0.262 0.000 1.820 840 H HN 1.058 nan 8.280 nan 0.000 0.558 841 A N 1.028 123.840 122.820 -0.014 0.000 2.398 841 A HA 0.416 4.736 4.320 -0.000 0.000 0.301 841 A C -1.500 176.093 177.584 0.016 0.000 1.041 841 A CA -0.730 51.388 52.037 0.135 0.000 0.711 841 A CB 1.178 20.234 19.000 0.093 0.000 1.240 841 A HN 0.549 nan 8.150 nan 0.000 0.420 842 W N 2.092 123.475 121.300 0.138 0.000 2.361 842 W HA 0.451 5.111 4.660 -0.000 0.000 0.309 842 W C -0.218 176.272 176.519 -0.047 0.000 1.122 842 W CA -0.173 57.225 57.345 0.089 0.000 1.208 842 W CB 1.588 31.125 29.460 0.129 0.000 1.246 842 W HN 0.768 nan 8.180 nan 0.000 0.490 843 Q N 1.384 121.287 119.800 0.172 0.000 2.496 843 Q HA 0.466 4.806 4.340 -0.000 0.000 0.286 843 Q C -0.926 175.188 176.000 0.190 0.000 1.103 843 Q CA -0.943 54.927 55.803 0.112 0.000 0.813 843 Q CB 3.516 32.291 28.738 0.062 0.000 1.444 843 Q HN 0.389 nan 8.270 nan 0.000 0.443 844 H N 1.039 120.125 119.070 0.027 0.000 3.179 844 H HA 0.066 4.622 4.556 -0.000 0.000 0.331 844 H C -1.071 174.279 175.328 0.037 0.000 1.013 844 H CA -0.066 56.011 56.048 0.048 0.000 1.430 844 H CB 1.035 30.834 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 1.171 56.822 55.803 -0.254 0.000 0.854 845 Q CB -1.443 27.111 28.738 -0.305 0.000 1.162 845 Q HN 1.173 nan 8.270 nan 0.000 0.440 846 G N -0.290 108.485 108.800 -0.042 0.000 2.234 846 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.260 846 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.260 846 G C 0.101 175.008 174.900 0.012 0.000 0.987 846 G CA 0.703 45.798 45.100 -0.009 0.000 0.625 846 G HN 0.410 nan 8.290 nan 0.000 0.532 847 K N 1.099 121.516 120.400 0.029 0.000 2.130 847 K HA 0.627 4.947 4.320 -0.000 0.000 0.268 847 K C -0.232 176.380 176.600 0.021 0.000 0.983 847 K CA -0.110 56.197 56.287 0.032 0.000 0.893 847 K CB 0.906 33.434 32.500 0.047 0.000 1.066 847 K HN 0.009 nan 8.250 nan 0.000 0.450 848 T N 5.520 120.076 114.554 0.003 0.000 2.733 848 T HA 0.236 4.586 4.350 -0.000 0.000 0.294 848 T C 1.107 175.745 174.700 -0.104 0.000 0.956 848 T CA -0.591 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 0.087 176.508 176.870 -0.748 0.000 1.074 849 L CA 0.988 55.387 54.840 -0.734 0.000 0.757 849 L CB -0.109 41.027 42.059 -1.538 0.000 0.918 849 L HN 0.516 nan 8.230 nan 0.000 0.444 850 F N -1.035 118.871 119.950 -0.074 0.000 2.629 850 F HA 0.616 5.143 4.527 -0.000 0.000 0.316 850 F C -0.381 175.535 175.800 0.193 0.000 1.081 850 F CA -0.922 57.007 58.000 -0.119 0.000 0.954 850 F CB 2.163 40.753 39.000 -0.684 0.000 1.337 850 F HN -0.310 nan 8.300 nan 0.000 0.474 851 I N 1.393 122.218 120.570 0.425 0.000 2.499 851 I HA 0.316 4.486 4.170 -0.000 0.000 0.288 851 I C -1.010 175.386 176.117 0.464 0.000 1.048 851 I CA -0.503 61.061 61.300 0.441 0.000 1.062 851 I CB 2.207 40.375 38.000 0.280 0.000 1.238 851 I HN 0.545 nan 8.210 nan 0.000 0.426 852 S N 6.971 123.044 115.700 0.621 0.000 2.552 852 S HA 0.576 5.046 4.470 -0.000 0.000 0.314 852 S C -0.727 174.129 174.600 0.427 0.000 1.099 852 S CA -0.659 57.870 58.200 0.547 0.000 1.070 852 S CB 0.753 64.390 63.200 0.727 0.000 0.998 852 S HN 0.576 nan 8.310 nan 0.000 0.474 853 R N 3.618 124.289 120.500 0.286 0.000 2.393 853 R HA 0.536 4.876 4.340 -0.000 0.000 0.315 853 R C -0.700 175.679 176.300 0.131 0.000 0.952 853 R CA -0.737 55.489 56.100 0.210 0.000 0.842 853 R CB 1.842 32.239 30.300 0.162 0.000 1.163 853 R HN 0.564 nan 8.270 nan 0.000 0.450 854 K N 0.636 121.107 120.400 0.118 0.000 2.395 854 K HA 0.540 4.860 4.320 -0.000 0.000 0.245 854 K C -0.650 175.930 176.600 -0.033 0.000 1.017 854 K CA -0.960 55.309 56.287 -0.030 0.000 0.852 854 K CB 2.356 34.766 32.500 -0.149 0.000 1.311 854 K HN 0.591 nan 8.250 nan 0.000 0.452 855 T N -1.367 113.087 114.554 -0.167 0.000 2.952 855 T HA 0.526 4.876 4.350 -0.000 0.000 0.305 855 T C -1.485 173.118 174.700 -0.160 0.000 1.064 855 T CA -0.779 61.280 62.100 -0.069 0.000 1.008 855 T CB 0.398 69.254 68.868 -0.019 0.000 1.078 855 T HN 0.407 nan 8.240 nan 0.000 0.459 856 Y N 1.472 121.756 120.300 -0.026 0.000 2.350 856 Y HA 0.706 5.256 4.550 -0.000 0.000 0.338 856 Y C 0.433 176.283 175.900 -0.084 0.000 0.961 856 Y CA -1.141 56.952 58.100 -0.012 0.000 1.100 856 Y CB 1.929 40.417 38.460 0.046 0.000 1.179 856 Y HN 0.854 nan 8.280 nan 0.000 0.454 857 R N 4.539 125.086 120.500 0.079 0.000 2.483 857 R HA 0.641 4.981 4.340 -0.000 0.000 0.303 857 R C -2.030 174.233 176.300 -0.062 0.000 0.987 857 R CA -0.349 55.743 56.100 -0.013 0.000 0.881 857 R CB 0.737 31.032 30.300 -0.009 0.000 1.177 857 R HN 0.813 nan 8.270 nan 0.000 0.451 858 I N 5.087 125.566 120.570 -0.152 0.000 2.339 858 I HA 0.237 4.407 4.170 -0.000 0.000 0.290 858 I C -0.278 175.739 176.117 -0.166 0.000 0.994 858 I CA -0.894 60.253 61.300 -0.254 0.000 1.191 858 I CB 1.488 39.173 38.000 -0.524 0.000 1.343 858 I HN 0.739 nan 8.210 nan 0.000 0.458 859 D N 4.370 124.706 120.400 -0.107 0.000 2.549 859 D HA 0.240 4.879 4.640 -0.000 0.000 0.270 859 D C 1.217 177.499 176.300 -0.029 0.000 1.181 859 D CA -0.702 53.266 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 -1.447 107.350 108.800 -0.007 0.000 2.679 860 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.212 860 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.212 860 G C 1.126 176.030 174.900 0.008 0.000 1.137 860 G CA 0.878 45.983 45.100 0.009 0.000 0.787 860 G HN 0.524 nan 8.290 nan 0.000 0.534 861 S N -1.006 114.699 115.700 0.007 0.000 2.558 861 S HA 0.367 4.837 4.470 -0.000 0.000 0.217 861 S C 1.765 176.396 174.600 0.052 0.000 0.975 861 S CA 0.925 59.131 58.200 0.012 0.000 0.912 861 S CB 0.046 63.252 63.200 0.009 0.000 0.776 861 S HN 1.395 nan 8.310 nan 0.000 0.526 862 G N 0.819 109.665 108.800 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 -0.308 174.694 174.900 0.169 0.000 0.989 862 G CA 0.022 45.231 45.100 0.182 0.000 0.676 862 G HN 0.634 nan 8.290 nan 0.000 0.522 863 Q N -0.581 119.263 119.800 0.074 0.000 2.235 863 Q HA 0.700 5.040 4.340 -0.000 0.000 0.256 863 Q C 0.037 176.052 176.000 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 30.714 28.738 0.083 0.000 1.279 863 Q HN 0.367 nan 8.270 nan 0.000 0.444 864 M N 1.891 121.541 119.600 0.084 0.000 2.114 864 M HA 0.533 5.013 4.480 -0.000 0.000 0.332 864 M C -1.470 174.927 176.300 0.161 0.000 1.014 864 M CA -0.521 54.815 55.300 0.060 0.000 0.956 864 M CB 1.179 33.819 32.600 0.066 0.000 1.551 864 M HN 0.783 nan 8.290 nan 0.000 0.427 865 A N 6.918 129.803 122.820 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 -0.665 51.436 52.037 0.106 0.000 0.851 865 A CB 0.481 19.524 19.000 0.071 0.000 1.165 865 A HN 0.904 nan 8.150 nan 0.000 0.513 866 I N 1.404 122.004 120.570 0.051 0.000 2.530 866 I HA 0.472 4.642 4.170 -0.000 0.000 0.297 866 I C -0.142 175.875 176.117 -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 4.861 119.258 114.554 -0.261 0.000 2.879 867 T HA 0.537 4.887 4.350 -0.000 0.000 0.290 867 T C -0.721 173.769 174.700 -0.350 0.000 0.993 867 T CA -0.370 61.573 62.100 -0.263 0.000 0.975 867 T CB 1.859 70.668 68.868 -0.098 0.000 0.981 867 T HN 0.245 nan 8.240 nan 0.000 0.439 868 V N 4.187 123.766 119.914 -0.558 0.000 2.588 868 V HA 0.571 4.691 4.120 -0.000 0.000 0.304 868 V C -0.782 175.145 176.094 -0.278 0.000 1.042 868 V CA -0.909 61.090 62.300 -0.501 0.000 0.877 868 V CB 2.084 33.340 31.823 -0.945 0.000 0.996 868 V HN 0.843 nan 8.190 nan 0.000 0.425 869 D N 3.351 123.758 120.400 0.012 0.000 2.696 869 D HA 0.536 5.176 4.640 -0.000 0.000 0.251 869 D C -1.090 175.347 176.300 0.230 0.000 1.188 869 D CA -0.147 53.966 54.000 0.188 0.000 0.876 869 D CB 2.899 43.841 40.800 0.236 0.000 1.334 869 D HN 0.272 nan 8.370 nan 0.000 0.540 870 V N 1.805 121.894 119.914 0.292 0.000 2.715 870 V HA 0.376 4.496 4.120 -0.000 0.000 0.310 870 V C 0.026 176.278 176.094 0.264 0.000 1.054 870 V CA -0.736 61.741 62.300 0.295 0.000 0.928 870 V CB 2.633 34.650 31.823 0.324 0.000 1.007 870 V HN 0.394 nan 8.190 nan 0.000 0.437 871 E N 1.747 122.090 120.200 0.238 0.000 2.210 871 E HA 0.651 5.001 4.350 -0.000 0.000 0.266 871 E C -1.651 175.082 176.600 0.221 0.000 0.883 871 E CA -0.563 55.958 56.400 0.202 0.000 0.761 871 E CB 2.613 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 4.517 4.120 -0.000 0.000 0.298 872 V C 0.028 176.237 176.094 0.192 0.000 1.028 872 V CA -0.911 61.542 62.300 0.255 0.000 0.860 872 V CB 1.559 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 52.766 52.037 0.106 0.000 0.757 873 A CB 0.239 19.269 19.000 0.050 0.000 0.991 873 A HN 1.381 nan 8.150 nan 0.000 0.503 874 S N 1.307 117.083 115.700 0.127 0.000 2.442 874 S HA -0.149 4.321 4.470 -0.000 0.000 0.236 874 S C 0.886 175.573 174.600 0.144 0.000 1.007 874 S CA 1.345 59.633 58.200 0.147 0.000 0.965 874 S CB -0.269 62.995 63.200 0.105 0.000 0.773 874 S HN 0.817 nan 8.310 nan 0.000 0.504 875 D N 0.459 120.922 120.400 0.106 0.000 2.342 875 D HA 0.141 4.781 4.640 -0.000 0.000 0.221 875 D C 0.526 176.877 176.300 0.086 0.000 1.101 875 D CA -0.011 54.038 54.000 0.081 0.000 0.837 875 D CB -0.266 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 0.617 115.253 114.554 0.137 0.000 2.943 876 T HA 0.456 4.806 4.350 -0.000 0.000 0.284 876 T C -2.689 172.136 174.700 0.209 0.000 1.015 876 T CA -2.025 60.184 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 -0.212 nan 8.240 nan 0.000 0.500 877 P HA 0.196 nan 4.420 nan 0.000 0.271 877 P C -0.599 176.990 177.300 0.481 0.000 1.216 877 P CA -0.218 62.982 63.100 0.166 0.000 0.771 877 P CB 0.112 31.893 31.700 0.135 0.000 0.864 878 H N 3.074 122.484 119.070 0.566 0.000 3.034 878 H HA 0.074 4.630 4.556 -0.000 0.000 0.324 878 H C -1.901 173.761 175.328 0.558 0.000 1.015 878 H CA -1.634 54.692 56.048 0.463 0.000 1.429 878 H CB -0.964 29.003 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 0.100 0.000 0.786 879 P CB 0.770 32.373 31.700 -0.162 0.000 0.927 880 A N 3.486 125.999 122.820 -0.513 0.000 1.972 880 A HA -0.117 4.203 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 17.846 19.000 -0.913 0.000 0.810 880 A HN 0.769 nan 8.150 nan 0.000 0.446 881 R N -3.017 117.156 120.500 -0.545 0.000 2.752 881 R HA 0.689 5.029 4.340 -0.000 0.000 0.277 881 R C -1.893 174.171 176.300 -0.394 0.000 1.024 881 R CA -0.825 54.972 56.100 -0.504 0.000 0.866 881 R CB 0.537 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 -0.334 0.000 2.540 882 I HA 0.641 4.811 4.170 -0.000 0.000 0.280 882 I C -0.443 175.434 176.117 -0.401 0.000 1.083 882 I CA -0.443 60.662 61.300 -0.326 0.000 1.080 882 I CB 1.727 39.616 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 -0.462 0.000 2.578 883 G HA2 0.724 4.684 3.960 -0.000 0.000 0.302 883 G HA3 0.724 4.684 3.960 -0.000 0.000 0.302 883 G C -1.768 172.957 174.900 -0.292 0.000 1.243 883 G CA -0.525 44.358 45.100 -0.363 0.000 0.843 883 G HN 0.294 nan 8.290 nan 0.000 0.486 884 L N 0.673 121.771 121.223 -0.208 0.000 2.327 884 L HA 0.682 5.022 4.340 -0.000 0.000 0.258 884 L C -0.845 175.920 176.870 -0.175 0.000 1.024 884 L CA -1.139 53.600 54.840 -0.167 0.000 0.825 884 L CB 2.639 44.663 42.059 -0.058 0.000 1.386 884 L HN 0.876 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 0.688 5.428 4.740 -0.000 0.000 0.248 885 N C -1.276 174.243 175.510 0.015 0.000 1.443 885 N CA -0.552 52.460 53.050 -0.063 0.000 0.870 885 N CB 2.167 40.633 38.487 -0.036 0.000 1.444 885 N HN 0.884 nan 8.380 nan 0.000 0.519 886 C N -1.925 117.423 119.300 0.079 0.000 3.253 886 C HA 0.566 5.026 4.460 -0.000 0.000 0.342 886 C C -1.377 173.532 174.990 -0.136 0.000 1.306 886 C CA -0.860 58.178 59.018 0.033 0.000 1.207 886 C CB 0.937 28.681 27.740 0.008 0.000 1.479 886 C HN 0.880 nan 8.230 nan 0.000 0.469 887 Q N 1.362 120.871 119.800 -0.485 0.000 2.372 887 Q HA 0.640 4.980 4.340 -0.000 0.000 0.259 887 Q C -1.009 174.714 176.000 -0.460 0.000 0.993 887 Q CA -0.422 54.825 55.803 -0.926 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 2.739 123.776 121.223 -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 54.525 54.840 -0.130 0.000 0.825 888 L CB 0.964 43.042 42.059 0.032 0.000 1.117 888 L HN 0.818 nan 8.230 nan 0.000 0.456 889 A N 2.542 125.297 122.820 -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 0.758 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 -0.599 119.195 119.800 -0.010 0.000 2.382 890 Q HA 0.464 4.804 4.340 -0.000 0.000 0.229 890 Q C -1.128 174.882 176.000 0.016 0.000 1.006 890 Q CA 0.096 55.891 55.803 -0.014 0.000 0.916 890 Q CB 0.938 29.672 28.738 -0.007 0.000 1.235 890 Q HN 0.141 nan 8.270 nan 0.000 0.512 891 V N 2.093 121.984 119.914 -0.039 0.000 2.610 891 V HA 0.738 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 1.097 32.930 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 -0.302 51.630 52.037 -0.175 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 -0.296 119.932 120.200 0.047 0.000 2.060 893 E HA 0.069 4.419 4.350 -0.000 0.000 0.189 893 E C 0.614 177.300 176.600 0.143 0.000 0.974 893 E CA 1.020 57.472 56.400 0.086 0.000 0.808 893 E CB 0.141 29.868 29.700 0.046 0.000 0.768 893 E HN 0.527 nan 8.360 nan 0.000 0.453 894 R N -0.576 120.019 120.500 0.159 0.000 2.856 894 R HA 0.602 4.942 4.340 -0.000 0.000 0.258 894 R C -1.091 175.396 176.300 0.312 0.000 1.066 894 R CA -0.923 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 -0.134 nan 8.270 nan 0.000 0.499 895 V N 1.550 121.651 119.914 0.312 0.000 2.623 895 V HA 0.332 4.452 4.120 -0.000 0.000 0.304 895 V C -0.652 175.710 176.094 0.447 0.000 1.054 895 V CA -0.948 61.574 62.300 0.371 0.000 0.882 895 V CB 1.913 33.908 31.823 0.287 0.000 1.002 895 V HN 0.718 nan 8.190 nan 0.000 0.424 896 N N 4.067 123.021 118.700 0.423 0.000 2.352 896 N HA 0.549 5.289 4.740 -0.000 0.000 0.291 896 N C -1.469 174.311 175.510 0.451 0.000 1.040 896 N CA -0.399 52.871 53.050 0.368 0.000 0.864 896 N CB 2.914 41.509 38.487 0.180 0.000 1.440 896 N HN 0.830 nan 8.380 nan 0.000 0.483 897 W N 3.138 124.496 121.300 0.096 0.000 3.074 897 W HA 0.613 5.273 4.660 -0.000 0.000 0.332 897 W C -2.147 174.373 176.519 0.003 0.000 1.253 897 W CA -1.072 56.314 57.345 0.068 0.000 1.180 897 W CB 0.733 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 3.913 125.149 121.223 0.023 0.000 2.324 898 L HA 0.910 5.250 4.340 -0.000 0.000 0.274 898 L C -0.021 176.799 176.870 -0.082 0.000 1.012 898 L CA 0.395 55.082 54.840 -0.256 0.000 0.859 898 L CB 0.756 42.717 42.059 -0.163 0.000 1.224 898 L HN 1.030 nan 8.230 nan 0.000 0.429 899 G N 3.661 112.325 108.800 -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 0.254 0.000 1.226 899 G CA -1.011 44.174 45.100 0.142 0.000 0.913 899 G HN 0.370 nan 8.290 nan 0.000 0.483 900 L N 1.522 122.974 121.223 0.381 0.000 2.361 900 L HA 0.582 4.922 4.340 -0.000 0.000 0.278 900 L C 0.967 177.904 176.870 0.112 0.000 1.113 900 L CA 0.511 55.494 54.840 0.239 0.000 0.849 900 L CB 0.441 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 3.558 112.161 108.800 -0.329 0.000 2.606 901 G HA2 0.472 4.432 3.960 -0.000 0.000 0.300 901 G HA3 0.472 4.432 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 44.056 45.100 -1.114 0.000 0.783 901 G HN 0.306 nan 8.290 nan 0.000 0.484 902 P HA 0.135 nan 4.420 nan 0.000 0.252 902 P C 0.208 177.302 177.300 -0.343 0.000 1.211 902 P CA 0.304 62.807 63.100 -0.996 0.000 0.824 902 P CB 0.614 31.884 31.700 -0.717 0.000 1.077 903 Q N 0.821 120.423 119.800 -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 -0.528 55.152 55.803 -0.205 0.000 0.936 903 Q CB 0.787 29.432 28.738 -0.155 0.000 1.204 903 Q HN 0.175 nan 8.270 nan 0.000 0.524 904 E N 1.390 121.476 120.200 -0.190 0.000 2.608 904 E HA -0.146 4.204 4.350 -0.000 0.000 0.259 904 E C -1.027 175.482 176.600 -0.152 0.000 0.951 904 E CA 0.361 56.641 56.400 -0.201 0.000 0.945 904 E CB 0.200 29.854 29.700 -0.077 0.000 0.916 904 E HN 0.612 nan 8.360 nan 0.000 0.477 905 N N 2.774 121.302 118.700 -0.287 0.000 2.308 905 N HA 0.346 5.086 4.740 -0.000 0.000 0.283 905 N C -1.856 173.411 175.510 -0.404 0.000 1.105 905 N CA -0.679 52.257 53.050 -0.190 0.000 0.840 905 N CB 0.737 39.134 38.487 -0.150 0.000 1.633 905 N HN 0.225 nan 8.380 nan 0.000 0.476 906 Y N -0.188 120.023 120.300 -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 -0.111 0.000 1.029 906 Y CA -2.060 55.943 58.100 -0.162 0.000 1.080 906 Y CB 1.754 40.111 38.460 -0.172 0.000 1.284 906 Y HN 0.423 nan 8.280 nan 0.000 0.485 907 P HA -0.189 nan 4.420 nan 0.000 0.216 907 P C 0.438 177.677 177.300 -0.102 0.000 1.157 907 P CA 2.209 65.358 63.100 0.080 0.000 0.880 907 P CB 0.182 32.014 31.700 0.221 0.000 0.791 908 D N -2.103 118.039 120.400 -0.431 0.000 2.358 908 D HA 0.007 4.647 4.640 -0.000 0.000 0.224 908 D C 0.553 176.713 176.300 -0.233 0.000 1.123 908 D CA 0.032 53.574 54.000 -0.763 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 1.017 121.479 120.500 -0.064 0.000 2.928 909 R HA 0.212 4.552 4.340 -0.000 0.000 0.248 909 R C -0.763 175.572 176.300 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 30.400 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 1.236 178.169 176.870 0.105 0.000 1.247 910 L CA 0.226 55.107 54.840 0.068 0.000 1.133 910 L CB 0.114 42.196 42.059 0.038 0.000 1.498 910 L HN 0.161 nan 8.230 nan 0.000 0.628 911 T N -2.379 112.265 114.554 0.150 0.000 2.881 911 T HA 0.002 4.351 4.350 -0.000 0.000 0.270 911 T C 1.699 176.501 174.700 0.170 0.000 1.068 911 T CA 1.390 63.605 62.100 0.192 0.000 1.131 911 T CB -0.293 68.730 68.868 0.257 0.000 0.871 911 T HN 0.431 nan 8.240 nan 0.000 0.479 912 A N 1.279 124.205 122.820 0.176 0.000 2.119 912 A HA 0.677 4.997 4.320 -0.000 0.000 0.216 912 A C 1.685 179.367 177.584 0.162 0.000 1.152 912 A CA 0.491 52.603 52.037 0.124 0.000 0.708 912 A CB -0.862 18.322 19.000 0.307 0.000 0.805 912 A HN 0.821 nan 8.150 nan 0.000 0.460 916 D N 3.058 122.875 120.400 -0.971 0.000 3.145 916 D HA 0.324 4.964 4.640 -0.000 0.000 0.345 916 D C -1.507 173.878 176.300 -1.524 0.000 1.391 916 D CA -0.675 52.574 54.000 -1.251 0.000 0.930 916 D CB 2.204 42.222 40.800 -1.304 0.000 1.451 916 D HN 0.628 nan 8.370 nan 0.000 0.555 917 R N 0.523 120.175 120.500 -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 -0.412 55.012 56.100 -1.126 0.000 0.842 917 R CB 0.504 30.416 30.300 -0.647 0.000 1.119 917 R HN 0.240 nan 8.270 nan 0.000 0.456 918 W N 2.782 123.522 121.300 -0.933 0.000 2.689 918 W HA 0.402 5.062 4.660 -0.000 0.000 0.340 918 W C -0.448 175.681 176.519 -0.650 0.000 1.060 918 W CA -0.639 56.101 57.345 -1.009 0.000 1.218 918 W CB 1.568 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 0.519 5.159 4.640 -0.000 0.000 0.243 919 D C -1.277 175.120 176.300 0.162 0.000 1.304 919 D CA -0.121 53.925 54.000 0.078 0.000 0.934 919 D CB 1.211 42.023 40.800 0.020 0.000 1.382 919 D HN 0.394 nan 8.370 nan 0.000 0.571 920 L N 2.654 124.044 121.223 0.279 0.000 2.397 920 L HA 0.560 4.900 4.340 -0.000 0.000 0.251 920 L C -2.557 174.436 176.870 0.205 0.000 1.064 920 L CA -2.134 52.845 54.840 0.233 0.000 0.859 920 L CB 2.734 44.964 42.059 0.285 0.000 1.468 920 L HN 0.187 nan 8.230 nan 0.000 0.411 921 P HA 0.166 nan 4.420 nan 0.000 0.290 921 P C 0.464 177.843 177.300 0.131 0.000 1.276 921 P CA -0.509 62.670 63.100 0.131 0.000 0.808 921 P CB 1.319 33.075 31.700 0.094 0.000 0.966 922 L N 3.677 124.983 121.223 0.139 0.000 2.085 922 L HA -0.318 4.022 4.340 -0.000 0.000 0.218 922 L C 2.188 179.111 176.870 0.088 0.000 1.080 922 L CA 2.845 57.753 54.840 0.114 0.000 0.776 922 L CB -1.526 40.614 42.059 0.135 0.000 0.891 922 L HN 0.450 nan 8.230 nan 0.000 0.437 923 S N -1.814 113.941 115.700 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 1.244 59.506 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 1.321 121.772 120.400 0.086 0.000 2.348 924 D HA 0.083 4.723 4.640 -0.000 0.000 0.216 924 D C 1.194 177.510 176.300 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 -0.229 119.396 119.600 0.043 0.000 2.581 925 M HA 0.080 4.560 4.480 -0.000 0.000 0.224 925 M C -0.157 176.162 176.300 0.031 0.000 1.171 925 M CA -0.020 55.264 55.300 -0.027 0.000 0.993 925 M CB -0.966 31.598 32.600 -0.060 0.000 1.685 925 M HN -0.053 nan 8.290 nan 0.000 0.479 926 Y N -0.157 120.098 120.300 -0.075 0.000 2.425 926 Y HA 0.484 5.034 4.550 -0.000 0.000 0.344 926 Y C -0.855 174.965 175.900 -0.134 0.000 0.969 926 Y CA -0.803 57.255 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 -0.907 0.000 2.893 927 T HA 0.261 4.611 4.350 -0.000 0.000 0.324 927 T C -2.658 171.197 174.700 -1.407 0.000 1.082 927 T CA -1.494 59.981 62.100 -1.042 0.000 0.983 927 T CB 0.963 69.333 68.868 -0.831 0.000 1.005 927 T HN 0.448 nan 8.240 nan 0.000 0.475 928 P HA 0.039 nan 4.420 nan 0.000 0.246 928 P C -0.565 176.558 177.300 -0.296 0.000 1.675 928 P CA -0.302 62.357 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 -0.429 119.754 120.300 -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 -0.495 57.568 58.100 -0.063 0.000 1.469 929 Y CB 0.493 38.868 38.460 -0.141 0.000 1.242 929 Y HN -0.126 nan 8.280 nan 0.000 0.540 930 V N 4.315 124.418 119.914 0.315 0.000 2.250 930 V HA -0.337 3.783 4.120 -0.000 0.000 0.250 930 V C 0.627 176.873 176.094 0.253 0.000 1.060 930 V CA 1.677 64.145 62.300 0.280 0.000 1.030 930 V CB -0.511 31.512 31.823 0.334 0.000 0.643 930 V HN 0.606 nan 8.190 nan 0.000 0.445 931 F N 3.403 123.388 119.950 0.059 0.000 2.391 931 F HA 0.511 5.038 4.527 -0.000 0.000 0.359 931 F C -2.323 173.474 175.800 -0.005 0.000 1.122 931 F CA -3.188 54.798 58.000 -0.023 0.000 1.120 931 F CB 0.959 39.835 39.000 -0.208 0.000 1.142 931 F HN -0.002 nan 8.300 nan 0.000 0.483 932 P HA 0.350 nan 4.420 nan 0.000 0.278 932 P C -1.227 175.769 177.300 -0.507 0.000 1.238 932 P CA -0.181 62.655 63.100 -0.440 0.000 0.794 932 P CB 1.660 33.166 31.700 -0.324 0.000 0.955 933 S N -0.348 115.245 115.700 -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 0.249 63.432 63.200 -0.027 0.000 1.119 933 S HN 0.384 nan 8.310 nan 0.000 0.476 934 E N 1.228 121.429 120.200 0.002 0.000 2.568 934 E HA 0.336 4.686 4.350 -0.000 0.000 0.262 934 E C -0.078 176.567 176.600 0.075 0.000 0.961 934 E CA 1.140 57.563 56.400 0.039 0.000 0.945 934 E CB -0.314 29.432 29.700 0.077 0.000 0.924 934 E HN 0.835 nan 8.360 nan 0.000 0.467 935 N N 1.176 119.950 118.700 0.123 0.000 3.261 935 N HA 0.466 5.206 4.740 -0.000 0.000 0.248 935 N C 0.254 175.809 175.510 0.075 0.000 1.498 935 N CA -0.654 52.509 53.050 0.188 0.000 0.884 935 N CB 0.510 39.090 38.487 0.155 0.000 1.428 935 N HN 0.738 nan 8.380 nan 0.000 0.517 936 G N -1.398 107.410 108.800 0.014 0.000 2.189 936 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.267 936 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.267 936 G C -0.148 174.503 174.900 -0.414 0.000 0.975 936 G CA 0.565 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 0.970 121.876 121.223 -0.528 0.000 2.506 937 L HA 0.491 4.831 4.340 -0.000 0.000 0.281 937 L C 0.733 177.032 176.870 -0.951 0.000 1.228 937 L CA 0.322 54.615 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 3.851 123.706 120.500 -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 -0.841 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 0.964 28.617 27.740 -0.144 0.000 2.165 939 C HN 1.057 nan 8.230 nan 0.000 0.540 940 G N 1.692 110.482 108.800 -0.016 0.000 2.338 940 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.296 940 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.296 940 G C -0.142 174.819 174.900 0.102 0.000 1.040 940 G CA 0.473 45.612 45.100 0.065 0.000 1.004 940 G HN 0.829 nan 8.290 nan 0.000 0.509 941 T N -0.511 113.974 114.554 -0.116 0.000 2.837 941 T HA 0.560 4.910 4.350 -0.000 0.000 0.285 941 T C 1.430 175.833 174.700 -0.495 0.000 0.984 941 T CA -0.528 61.445 62.100 -0.212 0.000 1.049 941 T CB 1.706 70.419 68.868 -0.258 0.000 0.947 941 T HN 0.332 nan 8.240 nan 0.000 0.472 942 R N 0.907 121.324 120.500 -0.138 0.000 2.287 942 R HA 0.254 4.594 4.340 -0.000 0.000 0.197 942 R C 0.449 176.801 176.300 0.087 0.000 0.900 942 R CA 0.149 56.237 56.100 -0.020 0.000 1.052 942 R CB 0.857 31.266 30.300 0.182 0.000 1.117 942 R HN 0.642 nan 8.270 nan 0.000 0.568 943 E N 1.054 121.323 120.200 0.114 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 -0.630 55.905 56.400 0.226 0.000 0.764 943 E CB 1.766 31.566 29.700 0.167 0.000 1.216 943 E HN -0.113 nan 8.360 nan 0.000 0.419 944 L N 4.168 125.603 121.223 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 54.561 54.840 0.277 0.000 0.822 944 L CB 1.814 43.889 42.059 0.027 0.000 1.285 944 L HN 0.468 nan 8.230 nan 0.000 0.409 945 N N 4.470 123.367 118.700 0.328 0.000 2.346 945 N HA 0.415 5.155 4.740 -0.000 0.000 0.289 945 N C -2.001 173.761 175.510 0.421 0.000 1.027 945 N CA -0.215 53.034 53.050 0.331 0.000 0.864 945 N CB 2.033 40.647 38.487 0.211 0.000 1.370 945 N HN 0.603 nan 8.380 nan 0.000 0.481 946 Y N 1.373 121.853 120.300 0.301 0.000 2.330 946 Y HA 0.448 4.998 4.550 -0.000 0.000 0.324 946 Y C 0.578 176.619 175.900 0.235 0.000 1.093 946 Y CA 0.116 58.370 58.100 0.257 0.000 1.103 946 Y CB 0.616 39.252 38.460 0.293 0.000 1.183 946 Y HN 0.840 nan 8.280 nan 0.000 0.433 947 G N 6.493 115.208 108.800 -0.140 0.000 2.547 947 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.271 947 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.271 947 G C -1.831 173.008 174.900 -0.102 0.000 1.209 947 G CA -0.067 44.923 45.100 -0.182 0.000 0.959 947 G HN 0.553 nan 8.290 nan 0.000 0.563 948 P HA 0.093 nan 4.420 nan 0.000 0.237 948 P C 0.513 177.574 177.300 -0.399 0.000 1.178 948 P CA 1.106 64.029 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 -0.363 118.662 119.070 -0.076 0.000 2.505 949 H HA 0.513 5.069 4.556 -0.000 0.000 0.351 949 H C 0.332 175.439 175.328 -0.369 0.000 1.151 949 H CA -0.127 55.758 56.048 -0.271 0.000 1.339 949 H CB 0.766 30.201 29.762 -0.545 0.000 1.483 949 H HN -0.058 nan 8.280 nan 0.000 0.558 950 Q N 2.109 121.641 119.800 -0.447 0.000 2.284 950 Q HA 0.251 4.591 4.340 -0.000 0.000 0.269 950 Q C -1.933 173.820 176.000 -0.410 0.000 1.026 950 Q CA -0.727 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 3.606 124.908 121.300 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 -0.908 56.408 57.345 -0.047 0.000 1.226 951 W CB 2.179 31.423 29.460 -0.359 0.000 1.416 951 W HN 0.524 nan 8.180 nan 0.000 0.505 952 R N 0.600 121.355 120.500 0.425 0.000 2.673 952 R HA 0.730 5.070 4.340 -0.000 0.000 0.281 952 R C 0.074 176.652 176.300 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 0.497 0.000 2.534 953 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.142 953 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.142 953 G C -1.757 173.310 174.900 0.278 0.000 1.178 953 G CA -0.402 44.947 45.100 0.415 0.000 1.037 953 G HN 0.483 nan 8.290 nan 0.000 0.474 954 D N 0.439 121.025 120.400 0.310 0.000 2.330 954 D HA 0.586 5.226 4.640 -0.000 0.000 0.249 954 D C -0.983 175.367 176.300 0.083 0.000 1.306 954 D CA -0.228 53.814 54.000 0.070 0.000 0.956 954 D CB 0.818 41.670 40.800 0.088 0.000 1.261 954 D HN 0.455 nan 8.370 nan 0.000 0.544 955 F N 0.098 120.050 119.950 0.003 0.000 3.016 955 F HA 0.595 5.122 4.527 -0.000 0.000 0.324 955 F C -1.214 174.560 175.800 -0.043 0.000 1.196 955 F CA -1.021 56.922 58.000 -0.095 0.000 0.929 955 F CB 0.720 39.651 39.000 -0.115 0.000 1.440 955 F HN -0.134 nan 8.300 nan 0.000 0.505 956 Q N 1.360 121.264 119.800 0.173 0.000 2.413 956 Q HA 0.707 5.047 4.340 -0.000 0.000 0.276 956 Q C -1.417 174.690 176.000 0.178 0.000 1.099 956 Q CA -0.557 55.267 55.803 0.035 0.000 0.814 956 Q CB 2.969 31.591 28.738 -0.194 0.000 1.379 956 Q HN 0.957 nan 8.270 nan 0.000 0.436 957 F N -1.280 118.556 119.950 -0.191 0.000 2.779 957 F HA 0.771 5.298 4.527 -0.000 0.000 0.316 957 F C -1.838 173.753 175.800 -0.348 0.000 1.164 957 F CA -1.037 56.813 58.000 -0.249 0.000 0.924 957 F CB 1.461 40.325 39.000 -0.226 0.000 1.348 957 F HN 0.642 nan 8.300 nan 0.000 0.467 958 N N 0.893 119.448 118.700 -0.242 0.000 2.494 958 N HA 0.711 5.451 4.740 -0.000 0.000 0.270 958 N C -2.188 173.301 175.510 -0.035 0.000 1.285 958 N CA -0.704 52.168 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 0.373 120.903 120.570 -0.067 0.000 2.649 959 I HA 0.659 4.829 4.170 -0.000 0.000 0.289 959 I C -1.260 174.810 176.117 -0.078 0.000 1.222 959 I CA 0.086 61.324 61.300 -0.104 0.000 1.046 959 I CB 1.266 39.139 38.000 -0.212 0.000 1.272 959 I HN 1.058 nan 8.210 nan 0.000 0.425 960 S N 6.337 122.016 115.700 -0.034 0.000 2.755 960 S HA 0.554 5.024 4.470 -0.000 0.000 0.286 960 S C -0.320 174.243 174.600 -0.061 0.000 1.207 960 S CA -0.965 57.224 58.200 -0.019 0.000 0.892 960 S CB 1.628 64.895 63.200 0.113 0.000 1.240 960 S HN 0.623 nan 8.310 nan 0.000 0.525 961 R N -0.021 120.288 120.500 -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 0.305 120.609 120.300 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 1.756 117.122 115.700 -0.557 0.000 2.593 963 S HA 0.066 4.536 4.470 -0.000 0.000 0.269 963 S C 0.883 175.175 174.600 -0.513 0.000 1.334 963 S CA -0.636 56.900 58.200 -1.107 0.000 1.015 963 S CB 1.115 63.677 63.200 -1.063 0.000 0.912 963 S HN 0.759 nan 8.310 nan 0.000 0.541 964 Q N 0.729 120.231 119.800 -0.497 0.000 2.124 964 Q HA -0.209 4.131 4.340 -0.000 0.000 0.202 964 Q C 2.225 178.102 176.000 -0.204 0.000 0.977 964 Q CA 1.874 57.520 55.803 -0.262 0.000 0.850 964 Q CB -0.509 28.110 28.738 -0.198 0.000 0.901 964 Q HN 0.965 nan 8.270 nan 0.000 0.429 965 Q N 0.689 120.348 119.800 -0.236 0.000 2.096 965 Q HA -0.227 4.113 4.340 -0.000 0.000 0.204 965 Q C 2.150 178.070 176.000 -0.132 0.000 0.982 965 Q CA 1.436 57.150 55.803 -0.147 0.000 0.850 965 Q CB 0.024 28.691 28.738 -0.118 0.000 0.901 965 Q HN 0.387 nan 8.270 nan 0.000 0.422 966 Q N 0.116 119.821 119.800 -0.158 0.000 2.030 966 Q HA -0.200 4.140 4.340 -0.000 0.000 0.204 966 Q C 2.294 178.210 176.000 -0.140 0.000 0.986 966 Q CA 1.735 57.465 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 0.493 nan 8.270 nan 0.000 0.420 967 L N 0.112 121.237 121.223 -0.162 0.000 2.043 967 L HA -0.259 4.081 4.340 -0.000 0.000 0.212 967 L C 2.719 179.476 176.870 -0.189 0.000 1.075 967 L CA 1.442 56.171 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 -0.513 119.001 119.600 -0.143 0.000 2.229 968 M HA -0.178 4.302 4.480 -0.000 0.000 0.264 968 M C 1.728 177.964 176.300 -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 32.636 32.600 -0.105 0.000 1.387 968 M HN 0.189 nan 8.290 nan 0.000 0.420 969 E N -0.654 119.488 120.200 -0.095 0.000 2.474 969 E HA 0.047 4.397 4.350 -0.000 0.000 0.194 969 E C -0.231 176.338 176.600 -0.051 0.000 1.041 969 E CA 0.149 56.514 56.400 -0.057 0.000 0.874 969 E CB 0.436 30.113 29.700 -0.037 0.000 0.914 969 E HN 0.347 nan 8.360 nan 0.000 0.498 970 T N 0.254 114.749 114.554 -0.098 0.000 2.829 970 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 1.678 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 1.482 117.208 115.700 0.044 0.000 2.486 971 S HA 0.106 4.576 4.470 -0.000 0.000 0.220 971 S C 0.246 174.940 174.600 0.157 0.000 1.011 971 S CA 0.134 58.429 58.200 0.158 0.000 0.921 971 S CB -0.174 63.265 63.200 0.399 0.000 0.785 971 S HN 0.729 nan 8.310 nan 0.000 0.517 972 H N 0.706 119.813 119.070 0.061 0.000 2.717 972 H HA 0.533 5.089 4.556 -0.000 0.000 0.366 972 H C 1.036 176.410 175.328 0.077 0.000 1.132 972 H CA -0.768 55.391 56.048 0.186 0.000 1.180 972 H CB 1.494 31.460 29.762 0.339 0.000 1.678 972 H HN 0.123 nan 8.280 nan 0.000 0.537 973 R N 1.537 122.198 120.500 0.269 0.000 2.091 973 R HA -0.199 4.141 4.340 -0.000 0.000 0.238 973 R C 1.347 177.713 176.300 0.109 0.000 1.136 973 R CA 2.002 58.181 56.100 0.132 0.000 0.959 973 R CB -0.623 29.758 30.300 0.134 0.000 0.856 973 R HN 0.792 nan 8.270 nan 0.000 0.437 974 H N 1.682 120.779 119.070 0.045 0.000 2.518 974 H HA -0.031 4.525 4.556 -0.000 0.000 0.292 974 H C 1.435 176.711 175.328 -0.087 0.000 1.068 974 H CA 1.065 57.096 56.048 -0.028 0.000 1.275 974 H CB -0.251 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 0.826 121.753 121.223 -0.494 0.000 2.611 975 L HA 0.255 4.595 4.340 -0.000 0.000 0.229 975 L C 0.308 177.097 176.870 -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 0.841 121.994 121.223 -0.116 0.000 2.375 976 L HA 0.316 4.656 4.340 -0.000 0.000 0.271 976 L C 0.187 177.109 176.870 0.086 0.000 1.107 976 L CA -0.423 54.363 54.840 -0.090 0.000 0.806 976 L CB 0.745 42.592 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 0.137 0.000 2.600 977 H HA 0.654 5.210 4.556 -0.000 0.000 0.357 977 H C -0.762 174.629 175.328 0.105 0.000 1.106 977 H CA -1.179 54.934 56.048 0.108 0.000 1.193 977 H CB 1.376 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 0.574 120.676 120.200 -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 0.725 30.529 29.700 0.175 0.000 1.161 979 E HN 0.822 nan 8.360 nan 0.000 0.453 980 E N 0.332 120.521 120.200 -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 1.777 58.138 56.400 -0.066 0.000 0.818 980 E CB 0.002 29.665 29.700 -0.061 0.000 0.749 980 E HN 0.564 nan 8.360 nan 0.000 0.453 981 G N -1.458 107.221 108.800 -0.201 0.000 3.407 981 G HA2 0.264 4.224 3.960 -0.000 0.000 0.187 981 G HA3 0.264 4.224 3.960 -0.000 0.000 0.187 981 G C -0.692 174.098 174.900 -0.182 0.000 1.262 981 G CA -0.129 44.862 45.100 -0.181 0.000 0.808 981 G HN 0.109 nan 8.290 nan 0.000 0.687 982 T N 0.487 114.930 114.554 -0.186 0.000 2.812 982 T HA 0.377 4.727 4.350 -0.000 0.000 0.282 982 T C -1.486 173.066 174.700 -0.247 0.000 0.990 982 T CA -0.109 61.912 62.100 -0.131 0.000 0.960 982 T CB 1.493 70.394 68.868 0.055 0.000 0.948 982 T HN 0.321 nan 8.240 nan 0.000 0.438 983 W N 3.222 124.439 121.300 -0.139 0.000 2.316 983 W HA 0.607 5.267 4.660 -0.000 0.000 0.311 983 W C -0.331 176.074 176.519 -0.190 0.000 1.217 983 W CA -0.731 56.529 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 5.619 126.904 121.223 0.103 0.000 2.381 984 L HA 0.500 4.840 4.340 -0.000 0.000 0.274 984 L C -1.160 175.641 176.870 -0.115 0.000 0.988 984 L CA -0.570 54.200 54.840 -0.117 0.000 0.824 984 L CB 1.064 42.919 42.059 -0.339 0.000 1.263 984 L HN 0.329 nan 8.230 nan 0.000 0.410 985 N N 6.967 125.583 118.700 -0.141 0.000 2.407 985 N HA 0.496 5.236 4.740 -0.000 0.000 0.277 985 N C -1.187 174.204 175.510 -0.197 0.000 0.995 985 N CA -0.284 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 1.755 122.160 120.570 -0.275 0.000 2.382 986 I HA 0.235 4.405 4.170 -0.000 0.000 0.285 986 I C -0.640 175.312 176.117 -0.273 0.000 1.007 986 I CA -0.624 60.484 61.300 -0.320 0.000 1.142 986 I CB 1.471 39.134 38.000 -0.563 0.000 1.289 986 I HN 0.157 nan 8.210 nan 0.000 0.453 987 D N 4.529 124.804 120.400 -0.209 0.000 2.217 987 D HA 0.298 4.938 4.640 -0.000 0.000 0.243 987 D C 0.988 177.023 176.300 -0.442 0.000 1.054 987 D CA -0.198 53.624 54.000 -0.295 0.000 0.838 987 D CB 2.486 43.203 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 0.042 174.076 174.900 -1.444 0.000 1.146 988 G CA 0.468 44.751 45.100 -1.362 0.000 0.793 988 G HN 0.386 nan 8.290 nan 0.000 0.537 989 F N -1.804 117.952 119.950 -0.323 0.000 2.641 989 F HA 0.529 5.056 4.527 -0.000 0.000 0.308 989 F C -0.730 174.985 175.800 -0.142 0.000 1.105 989 F CA -1.231 56.665 58.000 -0.174 0.000 0.964 989 F CB 1.936 40.788 39.000 -0.247 0.000 1.294 989 F HN -0.076 nan 8.300 nan 0.000 0.442 990 H N 2.731 121.833 119.070 0.053 0.000 2.947 990 H HA 0.408 4.964 4.556 -0.000 0.000 0.354 990 H C -1.070 174.289 175.328 0.053 0.000 1.085 990 H CA -0.755 55.288 56.048 -0.007 0.000 1.253 990 H CB 2.366 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 2.939 122.489 119.600 -0.083 0.000 2.240 991 M HA 0.282 4.762 4.480 -0.000 0.000 0.317 991 M C 0.405 176.823 176.300 0.196 0.000 1.087 991 M CA 0.550 55.875 55.300 0.042 0.000 1.176 991 M CB 0.402 32.925 32.600 -0.129 0.000 1.439 991 M HN 0.684 nan 8.290 nan 0.000 0.452 992 G N 2.274 111.166 108.800 0.153 0.000 2.653 992 G HA2 0.359 4.319 3.960 -0.000 0.000 0.265 992 G HA3 0.359 4.319 3.960 -0.000 0.000 0.265 992 G C 0.521 175.398 174.900 -0.039 0.000 1.237 992 G CA -0.289 44.831 45.100 0.032 0.000 0.946 992 G HN 1.006 nan 8.290 nan 0.000 0.522 993 I N -2.590 117.903 120.570 -0.127 0.000 3.939 993 I HA 0.442 4.612 4.170 -0.000 0.000 0.313 993 I C 1.135 177.179 176.117 -0.121 0.000 1.274 993 I CA 0.521 61.718 61.300 -0.172 0.000 1.301 993 I CB -0.339 37.467 38.000 -0.323 0.000 1.105 993 I HN 0.957 nan 8.210 nan 0.000 0.427 994 G N 1.621 110.368 108.800 -0.089 0.000 2.645 994 G HA2 0.030 3.990 3.960 -0.000 0.000 0.239 994 G HA3 0.030 3.990 3.960 -0.000 0.000 0.239 994 G C 0.575 175.466 174.900 -0.015 0.000 1.331 994 G CA 0.140 45.228 45.100 -0.020 0.000 0.890 994 G HN 1.378 nan 8.290 nan 0.000 0.572 995 G N -2.400 106.409 108.800 0.014 0.000 2.559 995 G HA2 0.025 3.985 3.960 -0.000 0.000 0.202 995 G HA3 0.025 3.985 3.960 -0.000 0.000 0.202 995 G C 0.666 175.615 174.900 0.082 0.000 0.992 995 G CA 0.914 46.032 45.100 0.031 0.000 0.764 995 G HN 0.979 nan 8.290 nan 0.000 0.525 996 D N 1.291 121.755 120.400 0.107 0.000 2.203 996 D HA 0.069 4.709 4.640 -0.000 0.000 0.199 996 D C 0.948 177.274 176.300 0.043 0.000 0.997 996 D CA 2.177 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 -0.796 174.998 176.300 -0.844 0.000 1.252 997 D CA -0.722 52.689 54.000 -0.981 0.000 0.777 997 D CB 0.809 40.535 40.800 -1.790 0.000 1.339 997 D HN -0.298 nan 8.370 nan 0.000 0.422 998 S N -0.304 114.716 115.700 -1.134 0.000 2.601 998 S HA 0.233 4.703 4.470 -0.000 0.000 0.244 998 S C -0.483 174.198 174.600 0.135 0.000 1.001 998 S CA -0.654 57.427 58.200 -0.198 0.000 0.984 998 S CB -0.524 62.834 63.200 0.264 0.000 0.842 998 S HN 0.610 nan 8.310 nan 0.000 0.474 999 W N 1.233 122.475 121.300 -0.096 0.000 2.252 999 W HA 0.578 5.238 4.660 -0.000 0.000 0.338 999 W C -0.042 176.431 176.519 -0.077 0.000 0.914 999 W CA -0.640 56.657 57.345 -0.080 0.000 1.754 999 W CB -0.550 28.800 29.460 -0.183 0.000 1.135 999 W HN 0.154 nan 8.180 nan 0.000 0.531 1000 S N -1.272 114.314 115.700 -0.190 0.000 2.588 1000 S HA 0.628 5.098 4.470 -0.000 0.000 0.269 1000 S C -3.213 171.320 174.600 -0.112 0.000 1.157 1000 S CA -1.559 56.563 58.200 -0.130 0.000 0.824 1000 S CB 1.638 64.762 63.200 -0.126 0.000 1.126 1000 S HN -0.207 nan 8.310 nan 0.000 0.464 1001 P HA 0.285 nan 4.420 nan 0.000 0.271 1001 P C 0.290 177.621 177.300 0.052 0.000 1.233 1001 P CA -0.218 62.895 63.100 0.021 0.000 0.764 1001 P CB 0.802 32.437 31.700 -0.109 0.000 0.825 1002 S N 0.776 116.534 115.700 0.097 0.000 2.701 1002 S HA 0.147 4.617 4.470 -0.000 0.000 0.242 1002 S C 0.331 175.007 174.600 0.126 0.000 1.025 1002 S CA -0.307 57.934 58.200 0.068 0.000 1.016 1002 S CB -0.219 62.976 63.200 -0.008 0.000 0.977 1002 S HN 0.120 nan 8.310 nan 0.000 0.546 1003 V N 4.306 124.338 119.914 0.196 0.000 2.455 1003 V HA 0.396 4.516 4.120 -0.000 0.000 0.273 1003 V C 0.771 177.022 176.094 0.262 0.000 1.045 1003 V CA -0.395 62.021 62.300 0.194 0.000 0.976 1003 V CB 0.692 32.590 31.823 0.125 0.000 0.993 1003 V HN 0.648 nan 8.190 nan 0.000 0.475 1004 S N 4.452 120.340 115.700 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 58.300 58.200 0.281 0.000 1.028 1004 S CB 1.450 64.783 63.200 0.222 0.000 0.906 1004 S HN 1.059 nan 8.310 nan 0.000 0.528 1005 A N 2.043 124.953 122.820 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 2.220 54.319 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 -0.905 119.195 120.200 -0.167 0.000 2.331 1006 E HA -0.138 4.212 4.350 -0.000 0.000 0.199 1006 E C 0.841 177.056 176.600 -0.641 0.000 1.008 1006 E CA 1.185 57.313 56.400 -0.453 0.000 0.843 1006 E CB -0.405 28.830 29.700 -0.774 0.000 0.761 1006 E HN 0.790 nan 8.360 nan 0.000 0.507 1007 F N 0.690 120.689 119.950 0.081 0.000 2.639 1007 F HA 0.218 4.745 4.527 -0.000 0.000 0.302 1007 F C 0.481 176.319 175.800 0.064 0.000 1.097 1007 F CA -0.410 57.638 58.000 0.079 0.000 1.294 1007 F CB 0.242 39.289 39.000 0.078 0.000 1.027 1007 F HN -0.167 nan 8.300 nan 0.000 0.550 1008 Q N 1.155 121.059 119.800 0.173 0.000 2.222 1008 Q HA 0.422 4.762 4.340 -0.000 0.000 0.252 1008 Q C -0.210 175.818 176.000 0.047 0.000 0.926 1008 Q CA -0.599 55.295 55.803 0.151 0.000 0.899 1008 Q CB 2.029 30.949 28.738 0.303 0.000 1.250 1008 Q HN 0.264 nan 8.270 nan 0.000 0.441 1009 L N 2.406 123.637 121.223 0.013 0.000 2.399 1009 L HA 0.090 4.430 4.340 -0.000 0.000 0.257 1009 L C 0.692 177.461 176.870 -0.168 0.000 1.236 1009 L CA -0.050 54.761 54.840 -0.049 0.000 1.144 1009 L CB -0.391 41.535 42.059 -0.222 0.000 1.379 1009 L HN 0.717 nan 8.230 nan 0.000 0.414 1010 S N -1.082 114.460 115.700 -0.263 0.000 2.539 1010 S HA 0.138 4.608 4.470 -0.000 0.000 0.221 1010 S C 1.726 176.229 174.600 -0.162 0.000 0.987 1010 S CA 0.183 58.051 58.200 -0.554 0.000 0.929 1010 S CB 0.696 63.596 63.200 -0.500 0.000 0.832 1010 S HN 0.516 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 1.469 53.333 52.037 -0.289 0.000 0.644 1011 A CB -1.337 17.192 19.000 -0.785 0.000 0.805 1011 A HN 1.507 nan 8.150 nan 0.000 0.449 1012 G N -1.596 107.186 108.800 -0.030 0.000 2.417 1012 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.233 1012 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.233 1012 G C 0.431 175.343 174.900 0.018 0.000 1.103 1012 G CA 0.444 45.567 45.100 0.037 0.000 0.647 1012 G HN 0.730 nan 8.290 nan 0.000 0.512 1013 R N -0.597 119.763 120.500 -0.234 0.000 2.575 1013 R HA 0.683 5.023 4.340 -0.000 0.000 0.293 1013 R C -1.569 174.475 176.300 -0.426 0.000 0.983 1013 R CA -0.650 55.367 56.100 -0.137 0.000 0.887 1013 R CB 1.604 31.863 30.300 -0.068 0.000 1.184 1013 R HN 0.229 nan 8.270 nan 0.000 0.445 1014 Y N 0.155 120.467 120.300 0.019 0.000 2.512 1014 Y HA 0.389 4.939 4.550 -0.000 0.000 0.348 1014 Y C -0.400 175.698 175.900 0.331 0.000 0.990 1014 Y CA -0.916 57.203 58.100 0.031 0.000 1.033 1014 Y CB 2.150 40.463 38.460 -0.244 0.000 1.259 1014 Y HN 0.592 nan 8.280 nan 0.000 0.461 1015 H N 2.266 121.658 119.070 0.536 0.000 2.717 1015 H HA 0.662 5.218 4.556 -0.000 0.000 0.366 1015 H C -1.750 173.951 175.328 0.623 0.000 1.132 1015 H CA -1.000 55.322 56.048 0.456 0.000 1.180 1015 H CB 1.411 31.326 29.762 0.255 0.000 1.678 1015 H HN 0.596 nan 8.280 nan 0.000 0.537 1016 Y N 1.091 121.097 120.300 -0.489 0.000 2.624 1016 Y HA 0.503 5.053 4.550 -0.000 0.000 0.334 1016 Y C -1.992 173.702 175.900 -0.343 0.000 1.155 1016 Y CA -1.064 56.862 58.100 -0.290 0.000 1.046 1016 Y CB 1.279 39.662 38.460 -0.128 0.000 1.316 1016 Y HN 0.658 nan 8.280 nan 0.000 0.457 1017 Q N 3.081 122.839 119.800 -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 32.474 28.738 0.046 0.000 1.405 1017 Q HN 0.759 nan 8.270 nan 0.000 0.419 1018 L N 0.796 122.057 121.223 0.064 0.000 2.540 1018 L HA 0.678 5.018 4.340 -0.000 0.000 0.256 1018 L C -1.605 175.368 176.870 0.171 0.000 1.001 1018 L CA -1.058 53.861 54.840 0.132 0.000 0.843 1018 L CB 2.714 44.821 42.059 0.080 0.000 1.436 1018 L HN 0.451 nan 8.230 nan 0.000 0.410 1019 V N 1.652 121.700 119.914 0.224 0.000 2.531 1019 V HA 0.491 4.611 4.120 -0.000 0.000 0.301 1019 V C -1.027 175.246 176.094 0.300 0.000 1.034 1019 V CA -0.447 61.999 62.300 0.244 0.000 0.865 1019 V CB 2.104 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