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_B 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 -1.832 112.758 114.554 0.061 0.000 3.113 4 T HA 0.152 4.502 4.350 -0.000 0.000 0.256 4 T C 0.807 175.557 174.700 0.083 0.000 1.131 4 T CA 1.210 63.336 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 0.828 177.328 176.300 0.333 0.000 1.039 5 D CA 0.077 54.284 54.000 0.345 0.000 0.866 5 D CB 0.020 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 0.129 115.917 115.700 0.147 0.000 2.548 6 S HA 0.086 4.556 4.470 -0.000 0.000 0.277 6 S C 1.344 175.992 174.600 0.081 0.000 1.315 6 S CA -0.688 57.558 58.200 0.076 0.000 1.050 6 S CB 1.188 64.405 63.200 0.028 0.000 0.918 6 S HN -0.122 nan 8.310 nan 0.000 0.497 7 L N 4.064 125.312 121.223 0.042 0.000 1.997 7 L HA -0.142 4.198 4.340 -0.000 0.000 0.216 7 L C 3.033 179.919 176.870 0.027 0.000 1.074 7 L CA 2.631 57.501 54.840 0.050 0.000 0.763 7 L CB -1.800 40.246 42.059 -0.021 0.000 0.890 7 L HN 1.000 nan 8.230 nan 0.000 0.434 8 A N -1.442 121.383 122.820 0.008 0.000 1.971 8 A HA -0.254 4.066 4.320 -0.000 0.000 0.222 8 A C 2.527 180.109 177.584 -0.003 0.000 1.182 8 A CA 2.508 54.548 52.037 0.005 0.000 0.649 8 A CB -1.099 17.900 19.000 -0.001 0.000 0.818 8 A HN 0.283 nan 8.150 nan 0.000 0.458 9 V N -1.016 118.889 119.914 -0.014 0.000 2.331 9 V HA -0.132 3.988 4.120 -0.000 0.000 0.242 9 V C 2.526 178.559 176.094 -0.101 0.000 1.034 9 V CA 1.663 63.935 62.300 -0.047 0.000 1.027 9 V CB -0.181 31.619 31.823 -0.039 0.000 0.667 9 V HN 0.352 nan 8.190 nan 0.000 0.457 10 V N 0.842 120.670 119.914 -0.142 0.000 2.231 10 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 10 V C 2.268 178.257 176.094 -0.174 0.000 1.054 10 V CA 2.409 64.519 62.300 -0.317 0.000 1.015 10 V CB -0.773 30.811 31.823 -0.399 0.000 0.638 10 V HN 0.498 nan 8.190 nan 0.000 0.444 11 L N 0.265 121.478 121.223 -0.017 0.000 2.633 11 L HA -0.155 4.185 4.340 -0.000 0.000 0.235 11 L C 2.451 179.400 176.870 0.133 0.000 1.163 11 L CA 0.920 55.883 54.840 0.206 0.000 0.859 11 L CB -0.840 41.373 42.059 0.257 0.000 0.973 11 L HN 0.424 nan 8.230 nan 0.000 0.451 12 Q N 2.216 122.020 119.800 0.005 0.000 2.030 12 Q HA -0.219 4.121 4.340 -0.000 0.000 0.204 12 Q C 2.240 178.189 176.000 -0.085 0.000 0.986 12 Q CA 2.100 57.886 55.803 -0.028 0.000 0.843 12 Q CB -0.110 28.597 28.738 -0.051 0.000 0.904 12 Q HN 0.567 nan 8.270 nan 0.000 0.420 13 R N -0.268 120.158 120.500 -0.124 0.000 2.120 13 R HA 0.059 4.398 4.340 -0.000 0.000 0.234 13 R C 0.322 176.431 176.300 -0.320 0.000 1.123 13 R CA 0.905 56.895 56.100 -0.183 0.000 0.975 13 R CB -0.453 29.745 30.300 -0.170 0.000 0.866 13 R HN 0.106 nan 8.270 nan 0.000 0.446 14 R N 1.000 121.209 120.500 -0.486 0.000 3.209 14 R HA -0.141 4.198 4.340 -0.000 0.000 0.252 14 R C -0.557 175.217 176.300 -0.876 0.000 0.958 14 R CA 0.516 55.841 56.100 -1.292 0.000 0.651 14 R CB -1.477 28.209 30.300 -1.024 0.000 1.142 14 R HN 0.490 nan 8.270 nan 0.000 0.441 15 D N -0.186 119.924 120.400 -0.483 0.000 2.218 15 D HA -0.191 4.449 4.640 -0.000 0.000 0.204 15 D C 1.608 177.855 176.300 -0.089 0.000 0.976 15 D CA 1.843 55.640 54.000 -0.339 0.000 0.853 15 D CB -0.120 40.270 40.800 -0.684 0.000 0.939 15 D HN 0.735 nan 8.370 nan 0.000 0.481 16 W N 1.734 123.059 121.300 0.042 0.000 3.096 16 W HA 0.115 4.775 4.660 -0.000 0.000 0.241 16 W C 0.489 177.122 176.519 0.189 0.000 1.316 16 W CA -0.112 57.368 57.345 0.224 0.000 1.520 16 W CB -0.198 29.422 29.460 0.266 0.000 1.128 16 W HN -0.176 nan 8.180 nan 0.000 0.707 17 E N 0.942 120.973 120.200 -0.281 0.000 2.995 17 E HA 0.058 4.408 4.350 -0.000 0.000 0.203 17 E C -0.829 175.662 176.600 -0.182 0.000 0.980 17 E CA -0.228 56.081 56.400 -0.152 0.000 1.172 17 E CB -0.172 29.463 29.700 -0.109 0.000 1.088 17 E HN 0.108 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 51.065 53.050 -0.196 0.000 0.831 18 N CB 1.461 39.838 38.487 -0.184 0.000 1.379 18 N HN -0.234 nan 8.380 nan 0.000 0.536 19 P HA -0.043 nan 4.420 nan 0.000 0.220 19 P C 1.175 178.253 177.300 -0.370 0.000 1.144 19 P CA 1.045 63.832 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 -0.583 108.039 108.800 -0.298 0.000 2.484 20 G HA2 0.002 3.961 3.960 -0.000 0.000 0.218 20 G HA3 0.002 3.961 3.960 -0.000 0.000 0.218 20 G C 0.350 175.182 174.900 -0.113 0.000 1.130 20 G CA 0.212 45.189 45.100 -0.204 0.000 0.784 20 G HN 0.239 nan 8.290 nan 0.000 0.543 21 V N 1.127 120.996 119.914 -0.075 0.000 2.378 21 V HA 0.420 4.540 4.120 -0.000 0.000 0.288 21 V C 0.863 177.023 176.094 0.110 0.000 1.016 21 V CA 0.187 62.500 62.300 0.022 0.000 0.840 21 V CB 1.354 33.193 31.823 0.026 0.000 0.994 21 V HN 0.294 nan 8.190 nan 0.000 0.431 22 T N 0.862 115.466 114.554 0.083 0.000 2.975 22 T HA 0.351 4.700 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 0.298 62.432 62.100 0.056 0.000 0.932 22 T CB 0.388 69.253 68.868 -0.004 0.000 1.087 22 T HN 0.725 nan 8.240 nan 0.000 0.512 23 Q N 0.129 119.985 119.800 0.094 0.000 2.756 23 Q HA 0.708 5.048 4.340 -0.000 0.000 0.295 23 Q C -2.473 173.651 176.000 0.207 0.000 0.903 23 Q CA -1.110 54.737 55.803 0.073 0.000 0.768 23 Q CB 0.788 29.507 28.738 -0.031 0.000 1.472 23 Q HN 0.076 nan 8.270 nan 0.000 0.416 24 L N 2.529 123.905 121.223 0.255 0.000 2.528 24 L HA 0.534 4.874 4.340 -0.000 0.000 0.267 24 L C -0.831 176.210 176.870 0.285 0.000 0.961 24 L CA -0.010 55.015 54.840 0.308 0.000 0.866 24 L CB 1.421 43.786 42.059 0.510 0.000 1.248 24 L HN 0.882 nan 8.230 nan 0.000 0.404 25 N N 1.167 119.984 118.700 0.195 0.000 2.753 25 N HA -0.237 4.502 4.740 -0.000 0.000 0.251 25 N C 0.526 176.109 175.510 0.123 0.000 1.097 25 N CA 0.845 54.000 53.050 0.176 0.000 0.786 25 N CB -0.671 37.918 38.487 0.170 0.000 1.137 25 N HN 0.674 nan 8.380 nan 0.000 0.566 26 R N 1.159 121.606 120.500 -0.089 0.000 2.438 26 R HA 0.379 4.718 4.340 -0.000 0.000 0.287 26 R C 0.726 176.845 176.300 -0.302 0.000 1.077 26 R CA -0.364 55.391 56.100 -0.575 0.000 1.034 26 R CB 0.571 30.546 30.300 -0.543 0.000 0.993 26 R HN 0.114 nan 8.270 nan 0.000 0.459 27 L N 2.515 123.549 121.223 -0.315 0.000 2.470 27 L HA 0.318 4.658 4.340 -0.000 0.000 0.243 27 L C 0.655 177.479 176.870 -0.077 0.000 1.227 27 L CA -0.602 54.169 54.840 -0.115 0.000 0.824 27 L CB 0.388 42.420 42.059 -0.046 0.000 1.175 27 L HN 0.742 nan 8.230 nan 0.000 0.503 28 A N 0.360 123.185 122.820 0.008 0.000 2.340 28 A HA 0.608 4.928 4.320 -0.000 0.000 0.268 28 A C 0.139 177.789 177.584 0.109 0.000 1.100 28 A CA -0.222 51.838 52.037 0.038 0.000 0.803 28 A CB 0.522 19.561 19.000 0.066 0.000 1.043 28 A HN 0.753 nan 8.150 nan 0.000 0.488 29 A N 1.190 124.024 122.820 0.023 0.000 2.406 29 A HA 0.653 4.973 4.320 -0.000 0.000 0.243 29 A C 0.155 177.740 177.584 0.001 0.000 1.082 29 A CA 0.738 52.730 52.037 -0.076 0.000 0.786 29 A CB -0.175 18.758 19.000 -0.111 0.000 1.029 29 A HN 2.072 nan 8.150 nan 0.000 0.495 30 H N -2.578 116.423 119.070 -0.114 0.000 2.883 30 H HA 0.541 5.096 4.556 -0.000 0.000 0.266 30 H C -3.422 171.699 175.328 -0.344 0.000 1.446 30 H CA -1.443 54.503 56.048 -0.170 0.000 1.179 30 H CB -0.052 29.638 29.762 -0.119 0.000 1.806 30 H HN 0.425 nan 8.280 nan 0.000 0.467 31 P HA 0.219 nan 4.420 nan 0.000 0.274 31 P C -2.610 174.390 177.300 -0.500 0.000 1.256 31 P CA -1.565 61.311 63.100 -0.374 0.000 0.795 31 P CB -0.414 31.041 31.700 -0.408 0.000 1.038 32 P HA 0.104 nan 4.420 nan 0.000 0.262 32 P C -0.787 176.495 177.300 -0.030 0.000 1.199 32 P CA 0.879 63.871 63.100 -0.180 0.000 0.763 32 P CB -0.205 31.482 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 1.202 176.970 175.800 -0.053 0.000 1.068 33 F CA -0.947 57.116 58.000 0.104 0.000 0.965 33 F CB 1.922 40.943 39.000 0.035 0.000 1.192 33 F HN 0.236 nan 8.300 nan 0.000 0.476 34 A N 0.249 123.078 122.820 0.015 0.000 2.263 34 A HA 0.268 4.588 4.320 -0.000 0.000 0.200 34 A C 0.821 178.172 177.584 -0.388 0.000 1.428 34 A CA 0.538 52.312 52.037 -0.439 0.000 1.050 34 A CB -0.069 18.082 19.000 -1.416 0.000 1.226 34 A HN 0.777 nan 8.150 nan 0.000 0.501 35 S N -0.320 115.275 115.700 -0.175 0.000 3.749 35 S HA -0.134 4.336 4.470 -0.000 0.000 0.348 35 S C -0.032 174.539 174.600 -0.050 0.000 1.045 35 S CA 0.382 58.512 58.200 -0.117 0.000 1.051 35 S CB -1.754 61.343 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 -0.194 57.159 57.345 0.013 0.000 1.271 36 W CB 0.126 29.592 29.460 0.011 0.000 1.170 36 W HN 0.260 nan 8.180 nan 0.000 0.583 37 R N 1.434 122.090 120.500 0.259 0.000 2.509 37 R HA 0.075 4.414 4.340 -0.000 0.000 0.300 37 R C -0.062 176.321 176.300 0.138 0.000 0.985 37 R CA -0.135 56.056 56.100 0.151 0.000 1.092 37 R CB -0.433 29.928 30.300 0.102 0.000 1.237 37 R HN 0.358 nan 8.270 nan 0.000 0.546 38 N N -0.254 118.550 118.700 0.173 0.000 2.336 38 N HA 0.005 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 40.553 38.487 0.071 0.000 1.581 38 N HN -0.087 nan 8.380 nan 0.000 0.480 39 S N 3.017 118.688 115.700 -0.047 0.000 2.365 39 S HA -0.186 4.284 4.470 -0.000 0.000 0.221 39 S C 1.256 175.707 174.600 -0.248 0.000 1.037 39 S CA 1.338 59.461 58.200 -0.129 0.000 1.060 39 S CB -0.392 62.761 63.200 -0.078 0.000 0.974 39 S HN 0.645 nan 8.310 nan 0.000 0.427 40 E N 1.330 121.412 120.200 -0.196 0.000 2.108 40 E HA -0.193 4.157 4.350 -0.000 0.000 0.203 40 E C 2.163 178.589 176.600 -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 0.166 120.226 120.200 -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 0.095 0.000 0.755 41 E HN 0.250 nan 8.360 nan 0.000 0.449 42 A N 1.620 123.581 122.820 -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 -1.116 0.000 1.182 42 A CA 2.019 52.652 52.037 -2.340 0.000 0.633 42 A CB -0.643 17.510 19.000 -1.413 0.000 0.819 42 A HN 0.149 nan 8.150 nan 0.000 0.448 43 R N -0.195 119.886 120.500 -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 57.861 56.100 -0.544 0.000 0.959 43 R CB -0.483 29.441 30.300 -0.627 0.000 0.856 43 R HN 0.587 nan 8.270 nan 0.000 0.437 44 T N -2.202 112.137 114.554 -0.358 0.000 3.244 44 T HA 0.106 4.456 4.350 -0.000 0.000 0.254 44 T C -0.004 174.629 174.700 -0.112 0.000 1.024 44 T CA 0.153 62.130 62.100 -0.206 0.000 0.920 44 T CB 0.140 68.912 68.868 -0.160 0.000 1.042 44 T HN 0.308 nan 8.240 nan 0.000 0.572 45 D N 1.659 121.960 120.400 -0.164 0.000 2.686 45 D HA -0.164 4.476 4.640 -0.000 0.000 0.235 45 D C 0.465 176.901 176.300 0.226 0.000 1.160 45 D CA 0.418 54.461 54.000 0.071 0.000 0.645 45 D CB -0.451 40.416 40.800 0.112 0.000 1.039 45 D HN 0.437 nan 8.370 nan 0.000 0.423 46 R N -0.242 120.409 120.500 0.252 0.000 2.811 46 R HA 0.565 4.905 4.340 -0.000 0.000 0.237 46 R C -2.001 174.561 176.300 0.437 0.000 1.231 46 R CA -0.840 55.436 56.100 0.294 0.000 1.070 46 R CB -0.749 29.689 30.300 0.229 0.000 1.126 46 R HN 0.173 nan 8.270 nan 0.000 0.540 47 P HA 0.198 nan 4.420 nan 0.000 0.304 47 P C -1.005 176.341 177.300 0.077 0.000 1.365 47 P CA -0.488 62.710 63.100 0.164 0.000 0.935 47 P CB 1.804 33.569 31.700 0.109 0.000 1.091 48 S N 1.954 117.552 115.700 -0.169 0.000 2.554 48 S HA 0.139 4.609 4.470 -0.000 0.000 0.278 48 S C 1.093 175.656 174.600 -0.061 0.000 1.242 48 S CA -0.432 57.618 58.200 -0.249 0.000 1.051 48 S CB 0.596 63.390 63.200 -0.676 0.000 0.986 48 S HN 0.335 nan 8.310 nan 0.000 0.502 49 Q N 2.732 122.550 119.800 0.030 0.000 2.425 49 Q HA 0.012 4.351 4.340 -0.000 0.000 0.204 49 Q C 0.792 176.941 176.000 0.249 0.000 0.933 49 Q CA 0.313 56.195 55.803 0.132 0.000 0.939 49 Q CB -0.324 28.505 28.738 0.152 0.000 1.044 49 Q HN 0.861 nan 8.270 nan 0.000 0.513 50 Q N 0.435 120.302 119.800 0.111 0.000 2.444 50 Q HA 0.166 4.506 4.340 -0.000 0.000 0.206 50 Q C -0.018 176.038 176.000 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 1.238 122.527 121.223 0.110 0.000 2.325 51 L HA 0.472 4.812 4.340 -0.000 0.000 0.281 51 L C -1.057 175.899 176.870 0.144 0.000 1.004 51 L CA -0.465 54.430 54.840 0.091 0.000 0.823 51 L CB 1.445 43.482 42.059 -0.036 0.000 1.236 51 L HN -0.082 nan 8.230 nan 0.000 0.415 52 R N 2.643 123.246 120.500 0.172 0.000 2.575 52 R HA 0.443 4.783 4.340 -0.000 0.000 0.293 52 R C -1.015 175.320 176.300 0.058 0.000 0.983 52 R CA -0.482 55.686 56.100 0.113 0.000 0.887 52 R CB 2.220 32.592 30.300 0.121 0.000 1.184 52 R HN 0.709 nan 8.270 nan 0.000 0.445 53 S N 3.236 118.961 115.700 0.042 0.000 2.562 53 S HA 0.303 4.772 4.470 -0.000 0.000 0.275 53 S C 0.869 175.494 174.600 0.042 0.000 1.281 53 S CA -0.511 57.713 58.200 0.040 0.000 1.045 53 S CB 0.582 63.814 63.200 0.053 0.000 0.962 53 S HN 0.584 nan 8.310 nan 0.000 0.503 54 L N 3.415 124.681 121.223 0.071 0.000 2.857 54 L HA 0.288 4.627 4.340 -0.000 0.000 0.249 54 L C 0.031 177.121 176.870 0.367 0.000 1.172 54 L CA -0.321 54.600 54.840 0.135 0.000 0.980 54 L CB -0.463 41.657 42.059 0.102 0.000 1.299 54 L HN 0.531 nan 8.230 nan 0.000 0.535 55 N N 1.654 120.491 118.700 0.229 0.000 2.518 55 N HA 0.493 5.232 4.740 -0.000 0.000 0.266 55 N C 0.657 176.326 175.510 0.264 0.000 1.196 55 N CA 0.737 53.924 53.050 0.228 0.000 0.947 55 N CB 1.774 40.317 38.487 0.093 0.000 1.098 55 N HN 0.296 nan 8.380 nan 0.000 0.450 56 G N 0.537 109.528 108.800 0.318 0.000 2.347 56 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.224 56 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.224 56 G C -1.419 173.735 174.900 0.424 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 1.526 122.291 120.500 0.442 0.000 2.445 59 R HA 0.591 4.931 4.340 -0.000 0.000 0.308 59 R C -1.535 174.949 176.300 0.307 0.000 0.961 59 R CA -0.800 55.483 56.100 0.305 0.000 0.862 59 R CB 1.962 32.386 30.300 0.208 0.000 1.144 59 R HN 0.344 nan 8.270 nan 0.000 0.447 60 F N 1.376 121.321 119.950 -0.007 0.000 2.546 60 F HA 0.725 5.251 4.527 -0.000 0.000 0.320 60 F C -1.288 174.377 175.800 -0.226 0.000 1.076 60 F CA -0.683 57.171 58.000 -0.243 0.000 0.928 60 F CB 2.043 40.753 39.000 -0.483 0.000 1.189 60 F HN 0.639 nan 8.300 nan 0.000 0.465 61 A N 4.285 126.174 122.820 -1.552 0.000 2.517 61 A HA 0.520 4.840 4.320 -0.000 0.000 0.297 61 A C -2.440 174.301 177.584 -1.405 0.000 1.050 61 A CA -0.521 50.837 52.037 -1.133 0.000 0.694 61 A CB 0.469 19.200 19.000 -0.448 0.000 1.277 61 A HN 0.976 nan 8.150 nan 0.000 0.400 62 W N 2.502 123.064 121.300 -1.230 0.000 2.606 62 W HA 0.797 5.457 4.660 -0.000 0.000 0.332 62 W C -1.983 174.083 176.519 -0.755 0.000 1.052 62 W CA -0.555 56.265 57.345 -0.876 0.000 1.223 62 W CB 1.321 30.451 29.460 -0.551 0.000 1.383 62 W HN 0.501 nan 8.180 nan 0.000 0.524 63 F N 5.538 124.885 119.950 -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 -2.567 54.968 58.000 -0.775 0.000 0.937 63 F CB 1.545 40.237 39.000 -0.513 0.000 1.250 63 F HN 0.186 nan 8.300 nan 0.000 0.447 64 P HA 0.020 nan 4.420 nan 0.000 0.225 64 P C -0.179 177.024 177.300 -0.162 0.000 1.148 64 P CA 1.145 64.070 63.100 -0.292 0.000 0.779 64 P CB 0.551 32.327 31.700 0.127 0.000 0.780 65 A N -1.284 121.446 122.820 -0.150 0.000 2.605 65 A HA 0.528 4.848 4.320 -0.000 0.000 0.294 65 A C -2.402 175.081 177.584 -0.168 0.000 1.062 65 A CA -1.075 50.900 52.037 -0.103 0.000 0.682 65 A CB 0.600 19.601 19.000 0.001 0.000 1.278 65 A HN -0.281 nan 8.150 nan 0.000 0.410 66 P HA -0.160 nan 4.420 nan 0.000 0.215 66 P C 1.021 178.208 177.300 -0.189 0.000 1.157 66 P CA 1.862 64.806 63.100 -0.260 0.000 0.863 66 P CB -0.016 31.492 31.700 -0.320 0.000 0.787 67 E N 0.745 120.902 120.200 -0.072 0.000 2.171 67 E HA -0.178 4.172 4.350 -0.000 0.000 0.197 67 E C 1.818 178.383 176.600 -0.059 0.000 0.997 67 E CA 1.576 57.962 56.400 -0.025 0.000 0.810 67 E CB -1.228 28.494 29.700 0.037 0.000 0.738 67 E HN 0.219 nan 8.360 nan 0.000 0.467 68 A N 1.710 124.490 122.820 -0.066 0.000 2.255 68 A HA 0.149 4.469 4.320 -0.000 0.000 0.206 68 A C 1.110 178.590 177.584 -0.173 0.000 1.193 68 A CA -0.002 52.024 52.037 -0.018 0.000 0.794 68 A CB -0.220 18.854 19.000 0.124 0.000 0.794 68 A HN 0.056 nan 8.150 nan 0.000 0.481 69 V N 1.016 120.691 119.914 -0.399 0.000 2.834 69 V HA 0.290 4.409 4.120 -0.000 0.000 0.301 69 V C -2.374 173.557 176.094 -0.272 0.000 1.066 69 V CA -1.361 60.549 62.300 -0.649 0.000 1.052 69 V CB 1.050 32.306 31.823 -0.945 0.000 1.021 69 V HN 0.263 nan 8.190 nan 0.000 0.480 70 P HA 0.438 nan 4.420 nan 0.000 0.306 70 P C 0.176 177.477 177.300 0.002 0.000 1.385 70 P CA -0.598 62.477 63.100 -0.041 0.000 0.915 70 P CB 1.796 33.515 31.700 0.031 0.000 1.013 71 E N 1.444 121.628 120.200 -0.026 0.000 2.187 71 E HA -0.211 4.139 4.350 -0.000 0.000 0.199 71 E C 1.514 178.081 176.600 -0.056 0.000 1.004 71 E CA 2.141 58.509 56.400 -0.053 0.000 0.813 71 E CB -0.216 29.455 29.700 -0.049 0.000 0.736 71 E HN 0.387 nan 8.360 nan 0.000 0.468 72 S N -0.103 115.591 115.700 -0.010 0.000 2.387 72 S HA -0.243 4.227 4.470 -0.000 0.000 0.230 72 S C 1.452 176.044 174.600 -0.013 0.000 1.035 72 S CA 1.201 59.397 58.200 -0.007 0.000 1.014 72 S CB -0.785 62.435 63.200 0.033 0.000 0.836 72 S HN 0.551 nan 8.310 nan 0.000 0.466 73 W N 2.641 123.857 121.300 -0.140 0.000 2.292 73 W HA -0.187 4.473 4.660 -0.000 0.000 0.304 73 W C 1.640 178.048 176.519 -0.186 0.000 1.228 73 W CA 1.132 58.384 57.345 -0.156 0.000 1.241 73 W CB -0.685 28.650 29.460 -0.210 0.000 1.142 73 W HN 0.248 nan 8.180 nan 0.000 0.520 74 L N 0.040 120.971 121.223 -0.486 0.000 2.083 74 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 74 L C 2.607 179.203 176.870 -0.456 0.000 1.083 74 L CA 1.537 55.963 54.840 -0.689 0.000 0.752 74 L CB -0.715 41.013 42.059 -0.553 0.000 0.899 74 L HN -0.048 nan 8.230 nan 0.000 0.433 75 E N -1.246 118.786 120.200 -0.278 0.000 2.079 75 E HA 0.068 4.418 4.350 -0.000 0.000 0.191 75 E C 0.353 176.865 176.600 -0.147 0.000 0.961 75 E CA 0.448 56.744 56.400 -0.174 0.000 0.823 75 E CB 0.110 29.747 29.700 -0.105 0.000 0.789 75 E HN 0.318 nan 8.360 nan 0.000 0.459 76 C N 1.917 121.147 119.300 -0.116 0.000 2.507 76 C HA 0.361 4.821 4.460 -0.000 0.000 0.319 76 C C 0.195 175.180 174.990 -0.009 0.000 1.208 76 C CA -1.271 57.712 59.018 -0.057 0.000 1.619 76 C CB 1.566 29.294 27.740 -0.019 0.000 2.230 76 C HN 0.243 nan 8.230 nan 0.000 0.492 77 D N 1.273 121.682 120.400 0.016 0.000 2.378 77 D HA 0.217 4.857 4.640 -0.000 0.000 0.238 77 D C -0.126 176.249 176.300 0.125 0.000 1.180 77 D CA 0.442 54.500 54.000 0.096 0.000 0.895 77 D CB 0.672 41.515 40.800 0.072 0.000 1.192 77 D HN 0.358 nan 8.370 nan 0.000 0.438 78 L N 2.463 123.786 121.223 0.168 0.000 2.416 78 L HA 0.217 4.557 4.340 -0.000 0.000 0.262 78 L C -1.198 175.714 176.870 0.070 0.000 1.093 78 L CA -1.547 53.364 54.840 0.119 0.000 0.801 78 L CB 0.638 42.772 42.059 0.125 0.000 1.191 78 L HN 0.268 nan 8.230 nan 0.000 0.459 79 P HA -0.036 nan 4.420 nan 0.000 0.216 79 P C 0.588 177.900 177.300 0.021 0.000 1.156 79 P CA 0.895 64.013 63.100 0.031 0.000 0.855 79 P CB 0.226 31.940 31.700 0.023 0.000 0.786 80 E N 0.125 120.330 120.200 0.009 0.000 2.494 80 E HA 0.244 4.594 4.350 -0.000 0.000 0.193 80 E C 0.762 177.353 176.600 -0.015 0.000 1.074 80 E CA -0.088 56.304 56.400 -0.013 0.000 0.867 80 E CB -0.757 28.917 29.700 -0.043 0.000 0.924 80 E HN 0.178 nan 8.360 nan 0.000 0.502 81 A N 1.263 124.088 122.820 0.009 0.000 2.445 81 A HA 0.134 4.454 4.320 -0.000 0.000 0.242 81 A C -0.033 177.581 177.584 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 0.208 120.660 120.400 0.087 0.000 2.326 82 D HA 0.430 5.070 4.640 -0.000 0.000 0.248 82 D C -0.668 175.721 176.300 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 0.911 115.539 114.554 0.122 0.000 2.767 83 T HA 0.449 4.799 4.350 -0.000 0.000 0.284 83 T C -0.089 174.683 174.700 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 69.971 68.868 0.100 0.000 0.927 83 T HN 0.047 nan 8.240 nan 0.000 0.456 84 V N 3.420 123.433 119.914 0.164 0.000 3.040 84 V HA 0.540 4.660 4.120 -0.000 0.000 0.312 84 V C -0.320 175.877 176.094 0.172 0.000 1.115 84 V CA -0.922 61.444 62.300 0.110 0.000 0.998 84 V CB 2.435 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 0.541 4.661 4.120 -0.000 0.000 0.286 85 V C -0.213 175.929 176.094 0.081 0.000 1.042 85 V CA -0.427 61.949 62.300 0.127 0.000 0.928 85 V CB 1.564 33.436 31.823 0.081 0.000 0.986 85 V HN 0.556 nan 8.190 nan 0.000 0.462 86 V N 6.785 126.693 119.914 -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 2.689 34.062 31.823 -0.750 0.000 0.995 86 V HN 0.786 nan 8.190 nan 0.000 0.429 87 P HA 0.580 nan 4.420 nan 0.000 0.278 87 P C -0.969 176.284 177.300 -0.079 0.000 1.258 87 P CA -0.284 62.725 63.100 -0.152 0.000 0.811 87 P CB 1.522 33.138 31.700 -0.141 0.000 1.063 88 S N -0.349 115.325 115.700 -0.043 0.000 2.643 88 S HA 0.391 4.861 4.470 -0.000 0.000 0.266 88 S C -1.486 173.084 174.600 -0.050 0.000 1.130 88 S CA -1.013 57.158 58.200 -0.048 0.000 0.817 88 S CB 0.123 63.312 63.200 -0.019 0.000 1.107 88 S HN 0.333 nan 8.310 nan 0.000 0.471 89 N N 1.140 119.731 118.700 -0.183 0.000 2.444 89 N HA 0.424 5.163 4.740 -0.000 0.000 0.262 89 N C 0.528 175.897 175.510 -0.234 0.000 0.974 89 N CA -0.755 52.160 53.050 -0.225 0.000 0.933 89 N CB 0.713 39.025 38.487 -0.293 0.000 1.137 89 N HN 0.817 nan 8.380 nan 0.000 0.498 90 W N 3.066 124.242 121.300 -0.207 0.000 2.350 90 W HA -0.169 4.490 4.660 -0.000 0.000 0.289 90 W C 0.947 177.458 176.519 -0.013 0.000 1.215 90 W CA 1.142 58.372 57.345 -0.192 0.000 1.236 90 W CB -0.441 28.824 29.460 -0.325 0.000 1.130 90 W HN 0.498 nan 8.180 nan 0.000 0.541 91 Q N 0.245 120.057 119.800 0.020 0.000 2.291 91 Q HA -0.122 4.218 4.340 -0.000 0.000 0.206 91 Q C 2.052 178.035 176.000 -0.029 0.000 0.976 91 Q CA 1.675 57.506 55.803 0.046 0.000 0.875 91 Q CB -0.630 28.008 28.738 -0.166 0.000 0.927 91 Q HN 0.242 nan 8.270 nan 0.000 0.450 92 M N -0.890 118.615 119.600 -0.159 0.000 2.630 92 M HA -0.037 4.443 4.480 -0.000 0.000 0.254 92 M C 0.412 176.685 176.300 -0.046 0.000 1.092 92 M CA 1.242 56.428 55.300 -0.190 0.000 1.087 92 M CB -0.531 31.887 32.600 -0.303 0.000 1.453 92 M HN 0.336 nan 8.290 nan 0.000 0.509 93 H N -1.359 117.784 119.070 0.122 0.000 2.592 93 H HA 0.354 4.910 4.556 -0.000 0.000 0.279 93 H C 1.257 176.512 175.328 -0.122 0.000 1.089 93 H CA 0.090 56.191 56.048 0.089 0.000 1.150 93 H CB 0.467 30.428 29.762 0.332 0.000 1.575 93 H HN 0.502 nan 8.280 nan 0.000 0.547 94 G N 0.624 109.464 108.800 0.067 0.000 2.179 94 G HA2 -0.407 3.552 3.960 -0.000 0.000 0.260 94 G HA3 -0.407 3.552 3.960 -0.000 0.000 0.260 94 G C 0.520 175.330 174.900 -0.150 0.000 0.977 94 G CA 0.607 45.662 45.100 -0.075 0.000 0.641 94 G HN 0.471 nan 8.290 nan 0.000 0.533 95 Y N 1.813 122.150 120.300 0.060 0.000 2.207 95 Y HA 0.196 4.746 4.550 -0.000 0.000 0.287 95 Y C 1.722 177.444 175.900 -0.296 0.000 1.156 95 Y CA 1.641 59.648 58.100 -0.154 0.000 1.182 95 Y CB -0.073 38.307 38.460 -0.135 0.000 0.979 95 Y HN 0.663 nan 8.280 nan 0.000 0.521 96 D N -2.430 118.118 120.400 0.247 0.000 2.768 96 D HA 0.512 5.152 4.640 -0.000 0.000 0.327 96 D C -1.157 175.279 176.300 0.227 0.000 1.302 96 D CA -0.768 53.377 54.000 0.242 0.000 0.897 96 D CB 0.691 41.798 40.800 0.513 0.000 1.420 96 D HN 0.002 nan 8.370 nan 0.000 0.494 97 A N -0.346 122.606 122.820 0.220 0.000 2.316 97 A HA 0.703 5.023 4.320 -0.000 0.000 0.284 97 A C -2.412 175.226 177.584 0.091 0.000 1.115 97 A CA -1.133 51.005 52.037 0.169 0.000 0.812 97 A CB 0.092 19.240 19.000 0.246 0.000 1.064 97 A HN 0.488 nan 8.150 nan 0.000 0.489 98 P HA 0.506 nan 4.420 nan 0.000 0.288 98 P C -0.857 176.578 177.300 0.225 0.000 1.267 98 P CA -0.009 63.030 63.100 -0.101 0.000 0.815 98 P CB 0.886 32.237 31.700 -0.581 0.000 0.989 99 I N 2.236 123.034 120.570 0.381 0.000 2.493 99 I HA 0.344 4.514 4.170 -0.000 0.000 0.298 99 I C -0.628 175.710 176.117 0.368 0.000 0.998 99 I CA -0.979 60.559 61.300 0.396 0.000 1.137 99 I CB 1.806 39.960 38.000 0.256 0.000 1.310 99 I HN 0.311 nan 8.210 nan 0.000 0.445 100 Y N 5.335 125.616 120.300 -0.032 0.000 2.686 100 Y HA 0.430 4.980 4.550 -0.000 0.000 0.331 100 Y C -0.380 175.367 175.900 -0.255 0.000 0.996 100 Y CA -0.523 57.298 58.100 -0.465 0.000 1.293 100 Y CB 0.839 38.410 38.460 -1.482 0.000 1.092 100 Y HN 0.675 nan 8.280 nan 0.000 0.524 101 T N 0.958 114.976 114.554 -0.893 0.000 2.930 101 T HA 0.334 4.684 4.350 -0.000 0.000 0.290 101 T C 0.203 174.370 174.700 -0.889 0.000 1.052 101 T CA -0.810 60.794 62.100 -0.827 0.000 1.017 101 T CB 2.333 70.941 68.868 -0.433 0.000 1.137 101 T HN 0.699 nan 8.240 nan 0.000 0.511 102 N N -0.212 118.066 118.700 -0.703 0.000 2.622 102 N HA 0.021 4.760 4.740 -0.000 0.000 0.213 102 N C 1.170 176.382 175.510 -0.497 0.000 1.037 102 N CA 0.172 52.916 53.050 -0.509 0.000 0.999 102 N CB 0.416 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 0.613 176.369 176.094 -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 31.235 31.823 -0.829 0.000 0.746 103 V HN 0.281 nan 8.190 nan 0.000 0.476 104 T N 1.143 115.438 114.554 -0.432 0.000 2.871 104 T HA 0.106 4.456 4.350 -0.000 0.000 0.296 104 T C -0.405 174.133 174.700 -0.271 0.000 0.998 104 T CA 0.369 62.291 62.100 -0.297 0.000 1.162 104 T CB -0.299 68.434 68.868 -0.224 0.000 0.947 104 T HN 0.189 nan 8.240 nan 0.000 0.536 105 Y N 4.838 125.027 120.300 -0.185 0.000 2.597 105 Y HA 0.112 4.662 4.550 -0.000 0.000 0.336 105 Y C -0.939 174.819 175.900 -0.236 0.000 1.216 105 Y CA -1.829 56.148 58.100 -0.205 0.000 1.463 105 Y CB 0.427 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 1.406 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 -4.842 115.473 120.570 -0.425 0.000 3.237 107 I HA 0.462 4.632 4.170 -0.000 0.000 0.308 107 I C -0.585 175.390 176.117 -0.236 0.000 1.093 107 I CA -1.055 59.980 61.300 -0.442 0.000 1.001 107 I CB 1.504 39.072 38.000 -0.720 0.000 1.245 107 I HN -0.426 nan 8.210 nan 0.000 0.485 108 T N 2.264 116.720 114.554 -0.163 0.000 2.919 108 T HA 0.222 4.571 4.350 -0.000 0.000 0.302 108 T C 0.141 174.820 174.700 -0.036 0.000 1.031 108 T CA -0.322 61.741 62.100 -0.063 0.000 1.127 108 T CB 0.990 69.852 68.868 -0.010 0.000 0.952 108 T HN 0.375 nan 8.240 nan 0.000 0.540 109 V N 4.637 124.555 119.914 0.006 0.000 2.352 109 V HA 0.252 4.372 4.120 -0.000 0.000 0.253 109 V C 0.648 176.812 176.094 0.117 0.000 1.083 109 V CA -0.180 62.158 62.300 0.064 0.000 0.993 109 V CB -0.387 31.459 31.823 0.038 0.000 1.111 109 V HN 0.845 nan 8.190 nan 0.000 0.490 110 N N 5.623 124.465 118.700 0.236 0.000 2.679 110 N HA 0.241 4.981 4.740 -0.000 0.000 0.240 110 N C -2.994 172.581 175.510 0.108 0.000 1.537 110 N CA -1.241 51.919 53.050 0.183 0.000 0.793 110 N CB 1.478 40.121 38.487 0.259 0.000 1.391 110 N HN 0.263 nan 8.380 nan 0.000 0.524 111 P HA 0.182 nan 4.420 nan 0.000 0.266 111 P C -2.375 174.600 177.300 -0.541 0.000 1.195 111 P CA -0.715 61.884 63.100 -0.834 0.000 0.768 111 P CB 0.368 31.392 31.700 -1.125 0.000 0.838 112 P HA 0.277 nan 4.420 nan 0.000 0.257 112 P C -0.680 176.452 177.300 -0.279 0.000 1.737 112 P CA -0.355 62.460 63.100 -0.475 0.000 1.130 112 P CB -0.209 31.253 31.700 -0.398 0.000 1.572 113 F N -0.329 119.736 119.950 0.192 0.000 2.396 113 F HA 0.282 4.809 4.527 -0.000 0.000 0.343 113 F C 1.130 177.113 175.800 0.306 0.000 1.104 113 F CA -0.962 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 3.696 123.916 119.914 0.510 0.000 2.966 114 V HA 0.416 4.536 4.120 -0.000 0.000 0.317 114 V C -2.011 174.281 176.094 0.330 0.000 1.070 114 V CA -1.889 60.645 62.300 0.389 0.000 1.008 114 V CB 1.878 34.024 31.823 0.539 0.000 1.070 114 V HN 0.523 nan 8.190 nan 0.000 0.457 115 P HA 0.168 nan 4.420 nan 0.000 0.285 115 P C 0.806 178.271 177.300 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 32.693 31.700 0.136 0.000 0.940 116 T N 0.241 114.919 114.554 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 1.413 63.629 62.100 0.193 0.000 1.145 116 T CB -0.816 68.129 68.868 0.128 0.000 0.858 116 T HN 0.385 nan 8.240 nan 0.000 0.459 117 E N 2.723 123.040 120.200 0.194 0.000 1.941 117 E HA 0.446 4.796 4.350 -0.000 0.000 0.275 117 E C -0.644 176.108 176.600 0.253 0.000 1.113 117 E CA -0.300 56.214 56.400 0.190 0.000 0.878 117 E CB 0.313 30.130 29.700 0.195 0.000 1.070 117 E HN 0.497 nan 8.360 nan 0.000 0.399 118 N N 3.354 122.158 118.700 0.174 0.000 2.531 118 N HA 0.291 5.031 4.740 -0.000 0.000 0.268 118 N C -2.813 172.667 175.510 -0.050 0.000 1.023 118 N CA -2.718 50.430 53.050 0.164 0.000 0.896 118 N CB 1.115 39.746 38.487 0.240 0.000 1.233 118 N HN -0.028 nan 8.380 nan 0.000 0.512 119 P HA -0.002 nan 4.420 nan 0.000 0.256 119 P C -0.757 176.389 177.300 -0.257 0.000 1.173 119 P CA 0.548 63.513 63.100 -0.225 0.000 0.768 119 P CB 0.156 31.974 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 0.900 109.426 108.800 -0.456 0.000 2.533 121 G HA2 0.484 4.444 3.960 -0.000 0.000 0.310 121 G HA3 0.484 4.444 3.960 -0.000 0.000 0.310 121 G C -0.336 174.498 174.900 -0.110 0.000 1.266 121 G CA -0.456 44.387 45.100 -0.428 0.000 0.967 121 G HN 0.905 nan 8.290 nan 0.000 0.493 122 C N 3.173 122.130 119.300 -0.571 0.000 2.281 122 C HA 0.478 4.938 4.460 -0.000 0.000 0.336 122 C C -0.488 174.472 174.990 -0.049 0.000 1.217 122 C CA -1.049 57.637 59.018 -0.553 0.000 1.730 122 C CB -1.753 25.041 27.740 -1.577 0.000 2.338 122 C HN 0.596 nan 8.230 nan 0.000 0.521 123 Y N 1.747 122.252 120.300 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 0.753 0.000 1.133 123 Y CA -0.458 57.988 58.100 0.576 0.000 1.152 123 Y CB 1.371 40.142 38.460 0.519 0.000 1.215 123 Y HN 0.695 nan 8.280 nan 0.000 0.466 124 S N 2.849 119.038 115.700 0.816 0.000 2.541 124 S HA 0.809 5.279 4.470 -0.000 0.000 0.271 124 S C -1.594 173.096 174.600 0.150 0.000 1.133 124 S CA -0.878 57.611 58.200 0.481 0.000 0.876 124 S CB 2.203 65.635 63.200 0.388 0.000 1.105 124 S HN 0.678 nan 8.310 nan 0.000 0.470 125 L N 0.910 122.076 121.223 -0.096 0.000 2.565 125 L HA 0.685 5.024 4.340 -0.000 0.000 0.261 125 L C -1.513 175.333 176.870 -0.040 0.000 0.932 125 L CA -0.012 54.606 54.840 -0.370 0.000 0.878 125 L CB 2.245 43.493 42.059 -1.352 0.000 1.333 125 L HN 0.785 nan 8.230 nan 0.000 0.409 126 T N 5.282 119.825 114.554 -0.017 0.000 2.771 126 T HA 0.755 5.105 4.350 -0.000 0.000 0.281 126 T C -0.895 173.888 174.700 0.138 0.000 0.982 126 T CA -0.087 62.042 62.100 0.047 0.000 0.978 126 T CB 0.562 69.407 68.868 -0.039 0.000 0.930 126 T HN 0.469 nan 8.240 nan 0.000 0.447 127 F N 0.711 120.580 119.950 -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 1.325 40.243 39.000 -0.137 0.000 1.349 127 F HN 0.265 nan 8.300 nan 0.000 0.464 128 N N 0.147 118.798 118.700 -0.082 0.000 2.443 128 N HA 0.707 5.447 4.740 -0.000 0.000 0.295 128 N C -1.670 173.788 175.510 -0.086 0.000 1.076 128 N CA -0.591 52.366 53.050 -0.154 0.000 0.919 128 N CB 2.157 40.585 38.487 -0.099 0.000 1.176 128 N HN 0.582 nan 8.380 nan 0.000 0.487 129 V N 1.360 121.182 119.914 -0.153 0.000 2.540 129 V HA 0.266 4.386 4.120 -0.000 0.000 0.302 129 V C -0.211 175.764 176.094 -0.199 0.000 1.035 129 V CA -1.015 61.196 62.300 -0.150 0.000 0.873 129 V CB 1.600 33.390 31.823 -0.056 0.000 0.992 129 V HN 0.654 nan 8.190 nan 0.000 0.428 130 D N 2.913 123.098 120.400 -0.358 0.000 2.423 130 D HA -0.002 4.638 4.640 -0.000 0.000 0.238 130 D C 1.178 177.395 176.300 -0.138 0.000 1.142 130 D CA 0.196 54.023 54.000 -0.289 0.000 0.884 130 D CB 1.535 42.083 40.800 -0.420 0.000 1.199 130 D HN 0.878 nan 8.370 nan 0.000 0.438 131 E N 1.074 121.237 120.200 -0.061 0.000 2.299 131 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 131 E C 1.645 178.281 176.600 0.061 0.000 0.998 131 E CA 0.815 57.220 56.400 0.008 0.000 0.851 131 E CB -0.195 29.505 29.700 -0.001 0.000 0.795 131 E HN 0.378 nan 8.360 nan 0.000 0.492 132 S N 0.389 116.123 115.700 0.057 0.000 2.387 132 S HA -0.223 4.247 4.470 -0.000 0.000 0.230 132 S C 1.539 176.237 174.600 0.164 0.000 1.035 132 S CA 1.052 59.316 58.200 0.106 0.000 1.014 132 S CB -0.867 62.401 63.200 0.113 0.000 0.836 132 S HN 0.522 nan 8.310 nan 0.000 0.466 133 W N 1.471 122.643 121.300 -0.213 0.000 2.402 133 W HA 0.282 4.942 4.660 -0.000 0.000 0.286 133 W C 2.226 178.689 176.519 -0.092 0.000 1.221 133 W CA -0.066 57.022 57.345 -0.427 0.000 1.257 133 W CB -0.855 28.363 29.460 -0.404 0.000 1.120 133 W HN 0.314 nan 8.180 nan 0.000 0.551 134 L N -0.275 121.078 121.223 0.216 0.000 2.291 134 L HA -0.182 4.158 4.340 -0.000 0.000 0.214 134 L C 2.292 179.237 176.870 0.124 0.000 1.120 134 L CA 0.968 55.905 54.840 0.162 0.000 0.799 134 L CB -0.375 41.748 42.059 0.107 0.000 0.925 134 L HN 0.044 nan 8.230 nan 0.000 0.446 135 Q N -0.325 119.543 119.800 0.113 0.000 1.922 135 Q HA -0.103 4.237 4.340 -0.000 0.000 0.201 135 Q C 0.890 176.947 176.000 0.094 0.000 0.979 135 Q CA 1.053 56.908 55.803 0.087 0.000 0.841 135 Q CB -0.007 28.775 28.738 0.073 0.000 0.903 135 Q HN 0.260 nan 8.270 nan 0.000 0.431 136 E N 0.329 120.601 120.200 0.119 0.000 2.264 136 E HA 0.438 4.788 4.350 -0.000 0.000 0.260 136 E C 0.336 177.035 176.600 0.164 0.000 0.961 136 E CA 0.007 56.472 56.400 0.110 0.000 0.834 136 E CB 1.041 30.789 29.700 0.080 0.000 1.230 136 E HN 0.347 nan 8.360 nan 0.000 0.412 137 G N 0.776 109.592 108.800 0.025 0.000 2.698 137 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.233 137 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.233 137 G C -0.838 173.962 174.900 -0.166 0.000 1.352 137 G CA 0.194 45.191 45.100 -0.171 0.000 0.879 137 G HN 0.796 nan 8.290 nan 0.000 0.567 138 Q N -0.642 118.911 119.800 -0.412 0.000 2.356 138 Q HA 0.653 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 1.914 30.555 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 -0.912 173.862 174.700 0.123 0.000 0.992 139 T CA -0.642 61.528 62.100 0.116 0.000 0.957 139 T CB 0.706 69.773 68.868 0.331 0.000 0.942 139 T HN 0.652 nan 8.240 nan 0.000 0.439 140 R N 3.363 123.914 120.500 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 55.204 56.100 0.092 0.000 0.931 140 R CB 1.661 32.000 30.300 0.065 0.000 1.206 140 R HN 0.537 nan 8.270 nan 0.000 0.474 141 I N 2.713 123.315 120.570 0.053 0.000 2.607 141 I HA 0.467 4.637 4.170 -0.000 0.000 0.305 141 I C -0.994 175.044 176.117 -0.133 0.000 0.995 141 I CA -1.448 59.808 61.300 -0.073 0.000 1.148 141 I CB 1.507 39.429 38.000 -0.128 0.000 1.323 141 I HN 0.644 nan 8.210 nan 0.000 0.461 142 I N 6.591 126.974 120.570 -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 4.530 124.485 119.950 0.007 0.000 2.350 143 F HA 0.252 4.779 4.527 -0.000 0.000 0.365 143 F C 1.282 176.988 175.800 -0.156 0.000 1.122 143 F CA -0.449 57.490 58.000 -0.103 0.000 1.139 143 F CB 0.835 39.761 39.000 -0.122 0.000 1.220 143 F HN 0.487 nan 8.300 nan 0.000 0.499 144 D N 2.394 122.763 120.400 -0.051 0.000 2.264 144 D HA 0.051 4.690 4.640 -0.000 0.000 0.208 144 D C 0.947 177.104 176.300 -0.240 0.000 0.966 144 D CA 0.904 54.814 54.000 -0.150 0.000 0.864 144 D CB 0.361 41.040 40.800 -0.203 0.000 0.933 144 D HN 0.650 nan 8.370 nan 0.000 0.499 145 G N -0.699 107.884 108.800 -0.362 0.000 2.524 145 G HA2 0.409 4.369 3.960 -0.000 0.000 0.306 145 G HA3 0.409 4.369 3.960 -0.000 0.000 0.306 145 G C -1.580 172.872 174.900 -0.747 0.000 1.420 145 G CA -0.519 44.197 45.100 -0.640 0.000 1.086 145 G HN -0.057 nan 8.290 nan 0.000 0.591 146 V N 2.457 122.182 119.914 -0.313 0.000 2.524 146 V HA 0.560 4.680 4.120 -0.000 0.000 0.297 146 V C -0.760 175.386 176.094 0.086 0.000 1.035 146 V CA -1.128 61.036 62.300 -0.227 0.000 0.867 146 V CB 1.852 33.272 31.823 -0.672 0.000 1.004 146 V HN 0.784 nan 8.190 nan 0.000 0.426 147 N N 2.612 121.410 118.700 0.163 0.000 2.372 147 N HA 0.391 5.131 4.740 -0.000 0.000 0.285 147 N C 0.664 176.123 175.510 -0.085 0.000 1.008 147 N CA 0.158 53.236 53.050 0.045 0.000 0.880 147 N CB 2.421 40.848 38.487 -0.099 0.000 1.239 147 N HN 0.599 nan 8.380 nan 0.000 0.484 148 S N 2.427 118.104 115.700 -0.039 0.000 2.502 148 S HA 0.495 4.965 4.470 -0.000 0.000 0.228 148 S C 0.549 175.216 174.600 0.110 0.000 1.061 148 S CA 0.339 58.568 58.200 0.050 0.000 0.935 148 S CB 0.049 63.295 63.200 0.076 0.000 0.809 148 S HN 0.694 nan 8.310 nan 0.000 0.510 149 A N 0.743 123.642 122.820 0.132 0.000 2.485 149 A HA 0.867 5.187 4.320 -0.000 0.000 0.292 149 A C -1.033 176.708 177.584 0.262 0.000 1.147 149 A CA -0.975 51.133 52.037 0.118 0.000 0.750 149 A CB 1.094 20.184 19.000 0.150 0.000 1.331 149 A HN 1.234 nan 8.150 nan 0.000 0.419 150 F N -1.127 118.731 119.950 -0.154 0.000 2.746 150 F HA 0.595 5.122 4.527 -0.000 0.000 0.311 150 F C -1.468 174.371 175.800 0.065 0.000 1.135 150 F CA -0.814 57.184 58.000 -0.003 0.000 0.954 150 F CB 0.866 39.825 39.000 -0.069 0.000 1.276 150 F HN 0.643 nan 8.300 nan 0.000 0.440 151 H N 1.905 121.147 119.070 0.286 0.000 2.533 151 H HA 0.812 5.368 4.556 -0.000 0.000 0.343 151 H C -1.402 174.009 175.328 0.138 0.000 1.160 151 H CA -0.682 55.484 56.048 0.197 0.000 1.218 151 H CB 2.352 32.285 29.762 0.286 0.000 1.566 151 H HN 0.831 nan 8.280 nan 0.000 0.522 152 L N 2.099 123.226 121.223 -0.160 0.000 2.431 152 L HA 0.417 4.757 4.340 -0.000 0.000 0.266 152 L C -1.864 174.678 176.870 -0.547 0.000 0.978 152 L CA -0.521 54.220 54.840 -0.164 0.000 0.822 152 L CB 1.853 43.758 42.059 -0.256 0.000 1.310 152 L HN 0.508 nan 8.230 nan 0.000 0.409 153 W N 4.181 125.444 121.300 -0.061 0.000 2.936 153 W HA 0.631 5.291 4.660 -0.000 0.000 0.338 153 W C -1.236 175.210 176.519 -0.122 0.000 1.121 153 W CA -0.780 56.496 57.345 -0.116 0.000 1.209 153 W CB 2.104 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 4.972 124.341 119.300 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 -0.412 27.295 27.740 -0.054 0.000 1.970 154 C HN 0.800 nan 8.230 nan 0.000 0.452 155 N N 3.725 122.488 118.700 0.105 0.000 2.725 155 N HA -0.182 4.558 4.740 -0.000 0.000 0.251 155 N C 0.999 176.565 175.510 0.092 0.000 1.031 155 N CA 2.105 55.196 53.050 0.068 0.000 0.720 155 N CB -1.300 37.229 38.487 0.070 0.000 0.930 155 N HN 1.932 nan 8.380 nan 0.000 0.543 156 G N -1.326 107.515 108.800 0.069 0.000 2.234 156 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.260 156 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.260 156 G C 0.230 175.290 174.900 0.267 0.000 0.987 156 G CA 0.666 45.800 45.100 0.058 0.000 0.625 156 G HN 0.573 nan 8.290 nan 0.000 0.532 157 R N -0.856 119.872 120.500 0.379 0.000 2.312 157 R HA 0.455 4.795 4.340 -0.000 0.000 0.311 157 R C -0.068 176.532 176.300 0.501 0.000 1.004 157 R CA -0.880 55.522 56.100 0.503 0.000 0.902 157 R CB 0.672 31.300 30.300 0.547 0.000 1.073 157 R HN 0.258 nan 8.270 nan 0.000 0.457 158 W N 3.999 125.452 121.300 0.255 0.000 2.251 158 W HA 0.093 4.753 4.660 -0.000 0.000 0.327 158 W C -0.137 176.208 176.519 -0.290 0.000 1.361 158 W CA 0.059 57.148 57.345 -0.426 0.000 1.234 158 W CB 0.627 29.883 29.460 -0.341 0.000 1.212 158 W HN 0.345 nan 8.180 nan 0.000 0.557 159 V N 4.956 123.821 119.914 -1.749 0.000 2.948 159 V HA 0.578 4.698 4.120 -0.000 0.000 0.234 159 V C 0.941 175.927 176.094 -1.845 0.000 1.205 159 V CA 0.796 62.209 62.300 -1.477 0.000 1.234 159 V CB -0.277 30.821 31.823 -1.208 0.000 1.020 159 V HN 0.778 nan 8.190 nan 0.000 0.491 160 G N -1.699 105.904 108.800 -1.995 0.000 2.554 160 G HA2 0.525 4.485 3.960 -0.000 0.000 0.306 160 G HA3 0.525 4.485 3.960 -0.000 0.000 0.306 160 G C -2.504 172.198 174.900 -0.331 0.000 1.320 160 G CA -0.328 44.140 45.100 -1.054 0.000 0.800 160 G HN -0.012 nan 8.290 nan 0.000 0.481 161 Y N -0.656 119.593 120.300 -0.084 0.000 2.588 161 Y HA 0.739 5.288 4.550 -0.000 0.000 0.343 161 Y C -0.044 175.726 175.900 -0.218 0.000 1.065 161 Y CA -0.259 57.679 58.100 -0.270 0.000 1.038 161 Y CB 2.332 40.727 38.460 -0.108 0.000 1.297 161 Y HN 1.192 nan 8.280 nan 0.000 0.467 162 G N 3.320 111.361 108.800 -1.265 0.000 2.742 162 G HA2 0.569 4.529 3.960 -0.000 0.000 0.296 162 G HA3 0.569 4.529 3.960 -0.000 0.000 0.296 162 G C -2.176 172.281 174.900 -0.738 0.000 1.436 162 G CA -0.905 43.729 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 4.948 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 -0.135 0.000 0.813 163 Q CB 2.782 31.483 28.738 -0.062 0.000 1.444 163 Q HN 0.654 nan 8.270 nan 0.000 0.443 164 D N -0.075 120.359 120.400 0.057 0.000 4.150 164 D HA -0.097 4.543 4.640 -0.000 0.000 0.231 164 D C -0.204 176.158 176.300 0.104 0.000 1.129 164 D CA 0.673 54.724 54.000 0.085 0.000 1.005 164 D CB -0.700 40.137 40.800 0.062 0.000 0.691 164 D HN 0.575 nan 8.370 nan 0.000 0.320 165 S N 3.080 118.857 115.700 0.127 0.000 2.465 165 S HA -0.159 4.311 4.470 -0.000 0.000 0.241 165 S C 1.601 176.324 174.600 0.205 0.000 1.000 165 S CA 0.715 59.018 58.200 0.172 0.000 0.964 165 S CB 0.128 63.417 63.200 0.148 0.000 0.763 165 S HN 0.568 nan 8.310 nan 0.000 0.512 166 R N 0.232 120.822 120.500 0.150 0.000 2.362 166 R HA 0.449 4.789 4.340 -0.000 0.000 0.227 166 R C 0.056 176.418 176.300 0.102 0.000 0.905 166 R CA 0.044 56.233 56.100 0.148 0.000 1.067 166 R CB -0.372 30.029 30.300 0.167 0.000 1.078 166 R HN 0.378 nan 8.270 nan 0.000 0.516 167 L N 1.277 122.537 121.223 0.063 0.000 2.301 167 L HA 0.501 4.841 4.340 -0.000 0.000 0.264 167 L C -2.334 174.528 176.870 -0.014 0.000 1.016 167 L CA -2.438 52.411 54.840 0.016 0.000 0.821 167 L CB 1.960 44.021 42.059 0.003 0.000 1.346 167 L HN -0.232 nan 8.230 nan 0.000 0.429 168 P HA 0.134 nan 4.420 nan 0.000 0.269 168 P C -1.144 176.143 177.300 -0.021 0.000 1.215 168 P CA -0.222 62.849 63.100 -0.048 0.000 0.780 168 P CB 0.796 32.428 31.700 -0.113 0.000 0.898 169 S N 1.104 116.844 115.700 0.066 0.000 2.561 169 S HA 0.362 4.831 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 64.332 63.200 0.310 0.000 1.010 169 S HN 0.343 nan 8.310 nan 0.000 0.482 170 E N 1.906 121.930 120.200 -0.294 0.000 2.238 170 E HA 0.629 4.979 4.350 -0.000 0.000 0.267 170 E C -1.504 174.798 176.600 -0.497 0.000 0.887 170 E CA -0.618 55.656 56.400 -0.210 0.000 0.769 170 E CB 1.689 31.355 29.700 -0.057 0.000 1.187 170 E HN 0.417 nan 8.360 nan 0.000 0.416 171 F N 0.332 120.300 119.950 0.029 0.000 2.578 171 F HA 0.239 4.766 4.527 -0.000 0.000 0.311 171 F C -0.185 175.617 175.800 0.004 0.000 1.094 171 F CA -1.202 56.800 58.000 0.003 0.000 0.923 171 F CB 1.355 40.333 39.000 -0.038 0.000 1.230 171 F HN 0.242 nan 8.300 nan 0.000 0.450 172 D N 2.423 122.958 120.400 0.226 0.000 2.336 172 D HA 0.263 4.903 4.640 -0.000 0.000 0.249 172 D C 0.462 176.887 176.300 0.208 0.000 1.213 172 D CA 0.285 54.388 54.000 0.172 0.000 0.870 172 D CB 1.004 41.893 40.800 0.149 0.000 1.076 172 D HN 0.585 nan 8.370 nan 0.000 0.483 173 L N 2.516 123.859 121.223 0.201 0.000 2.513 173 L HA -0.035 4.305 4.340 -0.000 0.000 0.222 173 L C 2.191 179.302 176.870 0.402 0.000 1.096 173 L CA -0.062 54.931 54.840 0.255 0.000 0.857 173 L CB -0.056 42.119 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 60.380 58.200 0.208 0.000 1.130 174 S CB -0.280 63.001 63.200 0.135 0.000 1.000 174 S HN 0.586 nan 8.310 nan 0.000 0.449 175 A N -0.828 122.100 122.820 0.180 0.000 2.251 175 A HA 0.370 4.690 4.320 -0.000 0.000 0.209 175 A C 0.981 178.424 177.584 -0.234 0.000 1.187 175 A CA 0.237 52.220 52.037 -0.090 0.000 0.823 175 A CB -0.258 18.549 19.000 -0.322 0.000 0.846 175 A HN 0.487 nan 8.150 nan 0.000 0.486 176 F N -0.961 119.024 119.950 0.058 0.000 2.706 176 F HA 0.391 4.917 4.527 -0.000 0.000 0.313 176 F C 0.285 176.113 175.800 0.048 0.000 1.096 176 F CA -0.682 57.349 58.000 0.051 0.000 1.219 176 F CB -0.052 38.980 39.000 0.054 0.000 1.051 176 F HN -0.075 nan 8.300 nan 0.000 0.568 177 L N 1.907 123.278 121.223 0.248 0.000 2.350 177 L HA 0.480 4.820 4.340 -0.000 0.000 0.275 177 L C 0.321 177.235 176.870 0.074 0.000 1.099 177 L CA -0.446 54.486 54.840 0.153 0.000 0.808 177 L CB 0.936 43.105 42.059 0.183 0.000 1.149 177 L HN -0.009 nan 8.230 nan 0.000 0.442 178 R N 1.589 122.097 120.500 0.014 0.000 2.787 178 R HA 0.712 5.052 4.340 -0.000 0.000 0.271 178 R C -0.526 175.750 176.300 -0.040 0.000 0.993 178 R CA -0.934 55.156 56.100 -0.016 0.000 0.993 178 R CB 1.716 31.991 30.300 -0.042 0.000 1.155 178 R HN 0.693 nan 8.270 nan 0.000 0.486 179 A N 0.826 123.626 122.820 -0.034 0.000 2.407 179 A HA 0.542 4.861 4.320 -0.000 0.000 0.248 179 A C 0.938 178.472 177.584 -0.084 0.000 1.082 179 A CA 0.775 52.783 52.037 -0.048 0.000 0.785 179 A CB -0.046 18.936 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 2.359 122.447 120.200 -0.187 0.000 2.257 181 E HA 0.339 4.689 4.350 -0.000 0.000 0.278 181 E C -0.060 176.344 176.600 -0.327 0.000 1.049 181 E CA -0.048 56.201 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 5.153 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 40.384 38.487 -0.809 0.000 1.494 182 N HN 0.253 nan 8.380 nan 0.000 0.479 183 R N 1.431 121.812 120.500 -0.197 0.000 2.575 183 R HA 0.462 4.802 4.340 -0.000 0.000 0.293 183 R C -1.332 175.037 176.300 0.114 0.000 0.983 183 R CA -0.517 55.576 56.100 -0.012 0.000 0.887 183 R CB 1.303 31.561 30.300 -0.069 0.000 1.184 183 R HN 0.512 nan 8.270 nan 0.000 0.445 184 L N 2.904 124.252 121.223 0.208 0.000 2.309 184 L HA 0.656 4.996 4.340 -0.000 0.000 0.282 184 L C -0.203 176.758 176.870 0.151 0.000 1.036 184 L CA -0.763 54.201 54.840 0.207 0.000 0.806 184 L CB 1.877 44.077 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 4.995 4.320 -0.000 0.000 0.289 185 A C -0.899 177.001 177.584 0.526 0.000 1.200 185 A CA -0.439 51.633 52.037 0.058 0.000 0.751 185 A CB 1.192 19.623 19.000 -0.947 0.000 1.161 185 A HN 0.377 nan 8.150 nan 0.000 0.459 186 V N 3.318 123.692 119.914 0.767 0.000 2.357 186 V HA 0.480 4.600 4.120 -0.000 0.000 0.284 186 V C 0.120 176.690 176.094 0.793 0.000 1.018 186 V CA -0.321 62.405 62.300 0.709 0.000 0.841 186 V CB 1.253 33.294 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 -1.438 175.104 176.300 0.404 0.000 1.111 187 M CA -0.273 55.325 55.300 0.496 0.000 1.017 187 M CB 1.237 34.164 32.600 0.545 0.000 1.568 187 M HN 0.470 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 -0.769 61.694 62.300 0.272 0.000 0.908 188 V CB 1.630 33.618 31.823 0.274 0.000 0.985 188 V HN 0.836 nan 8.190 nan 0.000 0.454 189 L N 2.807 124.120 121.223 0.149 0.000 2.362 189 L HA 0.672 5.011 4.340 -0.000 0.000 0.271 189 L C 1.050 177.879 176.870 -0.068 0.000 1.002 189 L CA -0.809 54.047 54.840 0.026 0.000 0.818 189 L CB 1.775 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 1.558 121.913 120.500 -0.241 0.000 2.082 190 R HA 0.004 4.344 4.340 -0.000 0.000 0.228 190 R C -0.210 175.692 176.300 -0.663 0.000 1.140 190 R CA 1.770 57.426 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 0.365 121.724 121.300 0.098 0.000 2.375 191 W HA 0.297 4.957 4.660 -0.000 0.000 0.336 191 W C 0.143 176.781 176.519 0.197 0.000 1.160 191 W CA -0.693 56.723 57.345 0.117 0.000 1.266 191 W CB 1.059 30.589 29.460 0.116 0.000 1.195 191 W HN 0.141 nan 8.180 nan 0.000 0.599 192 S N -1.172 114.822 115.700 0.490 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 0.799 121.451 120.400 0.419 0.000 2.178 193 D HA 0.036 4.676 4.640 -0.000 0.000 0.201 193 D C 1.897 178.489 176.300 0.486 0.000 0.980 193 D CA 1.307 55.583 54.000 0.460 0.000 0.842 193 D CB -0.837 40.118 40.800 0.258 0.000 0.948 193 D HN 0.733 nan 8.370 nan 0.000 0.472 194 G N 0.198 109.208 108.800 0.350 0.000 2.475 194 G HA2 -0.333 3.626 3.960 -0.000 0.000 0.220 194 G HA3 -0.333 3.626 3.960 -0.000 0.000 0.220 194 G C 1.741 176.818 174.900 0.294 0.000 1.125 194 G CA 1.049 46.326 45.100 0.296 0.000 0.755 194 G HN 0.338 nan 8.290 nan 0.000 0.565 195 S N 0.040 115.910 115.700 0.283 0.000 2.383 195 S HA -0.146 4.324 4.470 -0.000 0.000 0.229 195 S C 1.969 176.682 174.600 0.188 0.000 1.030 195 S CA 1.132 59.468 58.200 0.228 0.000 1.002 195 S CB -0.486 62.852 63.200 0.230 0.000 0.829 195 S HN 0.549 nan 8.310 nan 0.000 0.467 196 Y N 1.260 121.657 120.300 0.163 0.000 2.384 196 Y HA -0.010 4.540 4.550 -0.000 0.000 0.289 196 Y C 1.610 177.603 175.900 0.155 0.000 1.152 196 Y CA 0.685 58.803 58.100 0.030 0.000 1.258 196 Y CB -0.287 38.092 38.460 -0.135 0.000 0.979 196 Y HN 0.199 nan 8.280 nan 0.000 0.549 197 L N -0.046 121.365 121.223 0.312 0.000 2.700 197 L HA 0.125 4.465 4.340 -0.000 0.000 0.234 197 L C -0.071 176.937 176.870 0.229 0.000 1.156 197 L CA 0.367 55.348 54.840 0.235 0.000 0.946 197 L CB 0.003 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 -0.468 176.248 176.600 0.193 0.000 1.104 198 E CA -0.091 56.444 56.400 0.224 0.000 1.383 198 E CB 0.511 30.337 29.700 0.209 0.000 1.195 198 E HN 0.004 nan 8.360 nan 0.000 0.442 199 D N 1.292 121.770 120.400 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 -0.043 53.924 54.000 -0.056 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 0.057 4.397 4.340 -0.000 0.000 0.287 200 Q C -0.115 175.978 176.000 0.155 0.000 1.044 200 Q CA 0.245 56.187 55.803 0.232 0.000 0.918 200 Q CB 0.514 29.531 28.738 0.464 0.000 1.242 200 Q HN 0.120 nan 8.270 nan 0.000 0.405 201 D N 3.424 123.928 120.400 0.174 0.000 2.441 201 D HA 0.207 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 -0.319 40.521 40.800 0.068 0.000 1.084 201 D HN 0.470 nan 8.370 nan 0.000 0.514 202 M N 0.434 120.110 119.600 0.127 0.000 3.008 202 M HA 0.459 4.939 4.480 -0.000 0.000 0.271 202 M C -1.278 175.112 176.300 0.150 0.000 1.265 202 M CA -1.227 54.111 55.300 0.064 0.000 0.817 202 M CB 1.059 33.630 32.600 -0.050 0.000 1.638 202 M HN -0.035 nan 8.290 nan 0.000 0.479 203 W N 1.989 123.360 121.300 0.118 0.000 2.216 203 W HA 0.377 5.037 4.660 -0.000 0.000 0.326 203 W C 0.126 176.654 176.519 0.014 0.000 1.319 203 W CA -0.211 57.194 57.345 0.099 0.000 1.213 203 W CB 0.532 29.992 29.460 0.001 0.000 1.171 203 W HN 0.275 nan 8.180 nan 0.000 0.557 204 R N 4.970 125.652 120.500 0.303 0.000 2.196 204 R HA 0.424 4.764 4.340 -0.000 0.000 0.340 204 R C -0.130 176.204 176.300 0.056 0.000 1.043 204 R CA -0.184 56.019 56.100 0.172 0.000 0.883 204 R CB 0.247 30.694 30.300 0.245 0.000 1.078 204 R HN 0.581 nan 8.270 nan 0.000 0.462 205 M N 0.268 119.796 119.600 -0.119 0.000 2.708 205 M HA 0.525 5.005 4.480 -0.000 0.000 0.280 205 M C -0.244 175.752 176.300 -0.508 0.000 1.095 205 M CA -0.789 54.322 55.300 -0.315 0.000 0.822 205 M CB 2.186 34.586 32.600 -0.333 0.000 1.698 205 M HN 0.664 nan 8.290 nan 0.000 0.475 206 S N -1.305 113.969 115.700 -0.710 0.000 2.611 206 S HA 0.866 5.336 4.470 -0.000 0.000 0.270 206 S C -0.644 173.514 174.600 -0.736 0.000 1.131 206 S CA -0.307 57.395 58.200 -0.831 0.000 0.826 206 S CB 1.505 64.038 63.200 -1.111 0.000 1.095 206 S HN 1.470 nan 8.310 nan 0.000 0.461 207 G N 0.101 108.678 108.800 -0.371 0.000 2.316 207 G HA2 0.187 4.147 3.960 -0.000 0.000 0.349 207 G HA3 0.187 4.147 3.960 -0.000 0.000 0.349 207 G C -1.558 173.305 174.900 -0.062 0.000 1.274 207 G CA -0.574 44.528 45.100 0.003 0.000 1.018 207 G HN 1.202 nan 8.290 nan 0.000 0.486 208 I N 2.112 122.525 120.570 -0.262 0.000 2.316 208 I HA 0.296 4.466 4.170 -0.000 0.000 0.286 208 I C 1.002 176.989 176.117 -0.217 0.000 1.107 208 I CA -0.309 60.741 61.300 -0.416 0.000 1.219 208 I CB -0.057 37.486 38.000 -0.762 0.000 1.455 208 I HN 0.505 nan 8.210 nan 0.000 0.498 209 F N 3.723 123.530 119.950 -0.238 0.000 2.727 209 F HA 0.457 4.984 4.527 -0.000 0.000 0.302 209 F C 0.661 176.396 175.800 -0.108 0.000 1.097 209 F CA -0.517 57.382 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 0.133 nan 8.300 nan 0.000 0.578 210 R N 0.721 120.810 120.500 -0.684 0.000 2.867 210 R HA 0.225 4.565 4.340 -0.000 0.000 0.268 210 R C -0.889 175.262 176.300 -0.249 0.000 1.014 210 R CA -1.160 54.685 56.100 -0.425 0.000 0.946 210 R CB 1.064 31.050 30.300 -0.523 0.000 1.208 210 R HN 0.010 nan 8.270 nan 0.000 0.477 211 D N 0.669 120.995 120.400 -0.124 0.000 2.515 211 D HA 0.071 4.711 4.640 -0.000 0.000 0.230 211 D C -0.372 175.878 176.300 -0.083 0.000 1.181 211 D CA 0.535 54.491 54.000 -0.073 0.000 0.875 211 D CB 0.428 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 0.777 120.661 119.914 -0.050 0.000 2.588 212 V HA 0.639 4.759 4.120 -0.000 0.000 0.304 212 V C -0.239 175.815 176.094 -0.067 0.000 1.042 212 V CA -0.586 61.668 62.300 -0.077 0.000 0.877 212 V CB 1.771 33.614 31.823 0.034 0.000 0.996 212 V HN 0.742 nan 8.190 nan 0.000 0.425 213 S N 4.418 120.030 115.700 -0.147 0.000 2.656 213 S HA 0.825 5.295 4.470 -0.000 0.000 0.273 213 S C -1.231 173.327 174.600 -0.070 0.000 1.168 213 S CA -0.943 57.214 58.200 -0.073 0.000 0.817 213 S CB 1.960 65.143 63.200 -0.028 0.000 1.146 213 S HN 0.474 nan 8.310 nan 0.000 0.475 214 L N 1.321 122.564 121.223 0.034 0.000 2.386 214 L HA 0.680 5.020 4.340 -0.000 0.000 0.271 214 L C -1.638 175.341 176.870 0.182 0.000 0.993 214 L CA -0.797 54.123 54.840 0.134 0.000 0.819 214 L CB 1.833 44.058 42.059 0.277 0.000 1.294 214 L HN 0.593 nan 8.230 nan 0.000 0.414 215 L N 2.469 123.755 121.223 0.105 0.000 2.381 215 L HA 0.479 4.819 4.340 -0.000 0.000 0.274 215 L C -0.957 175.812 176.870 -0.168 0.000 0.988 215 L CA -0.254 54.583 54.840 -0.006 0.000 0.824 215 L CB 1.592 43.651 42.059 0.001 0.000 1.263 215 L HN 0.454 nan 8.230 nan 0.000 0.410 216 H N 4.175 122.921 119.070 -0.539 0.000 2.581 216 H HA 0.554 5.110 4.556 -0.000 0.000 0.308 216 H C -1.114 173.926 175.328 -0.480 0.000 1.040 216 H CA -0.128 55.428 56.048 -0.819 0.000 1.231 216 H CB 0.782 29.473 29.762 -1.786 0.000 1.396 216 H HN 0.576 nan 8.280 nan 0.000 0.467 217 K N 5.597 125.502 120.400 -0.825 0.000 2.375 217 K HA 0.390 4.709 4.320 -0.000 0.000 0.249 217 K C -2.723 173.517 176.600 -0.600 0.000 0.942 217 K CA -2.445 53.497 56.287 -0.574 0.000 0.806 217 K CB 1.836 34.106 32.500 -0.383 0.000 1.227 217 K HN 0.437 nan 8.250 nan 0.000 0.430 218 P HA -0.034 nan 4.420 nan 0.000 0.270 218 P C 0.336 177.499 177.300 -0.229 0.000 1.223 218 P CA -0.032 62.910 63.100 -0.264 0.000 0.785 218 P CB 0.442 32.040 31.700 -0.171 0.000 0.923 219 T N -1.999 112.457 114.554 -0.164 0.000 2.821 219 T HA -0.055 4.294 4.350 -0.000 0.000 0.267 219 T C 0.693 175.312 174.700 -0.134 0.000 1.046 219 T CA 1.312 63.333 62.100 -0.132 0.000 1.139 219 T CB -0.838 67.979 68.868 -0.086 0.000 0.871 219 T HN 0.337 nan 8.240 nan 0.000 0.454 220 T N 3.312 117.786 114.554 -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 -0.152 0.000 0.948 220 T CB 0.852 69.635 68.868 -0.142 0.000 0.962 220 T HN 0.614 nan 8.240 nan 0.000 0.465 221 Q N 2.590 122.276 119.800 -0.191 0.000 2.615 221 Q HA 0.590 4.930 4.340 -0.000 0.000 0.298 221 Q C -1.087 174.789 176.000 -0.207 0.000 1.023 221 Q CA -1.193 54.484 55.803 -0.210 0.000 0.768 221 Q CB 1.333 29.911 28.738 -0.265 0.000 1.500 221 Q HN 0.434 nan 8.270 nan 0.000 0.441 222 I N 2.746 123.171 120.570 -0.241 0.000 2.505 222 I HA -0.026 4.144 4.170 -0.000 0.000 0.287 222 I C 0.984 176.901 176.117 -0.334 0.000 1.104 222 I CA 0.165 61.333 61.300 -0.219 0.000 1.387 222 I CB 0.968 38.811 38.000 -0.262 0.000 1.404 222 I HN 0.861 nan 8.210 nan 0.000 0.528 223 S N 3.137 118.753 115.700 -0.140 0.000 2.486 223 S HA 0.114 4.584 4.470 -0.000 0.000 0.220 223 S C 0.231 174.937 174.600 0.177 0.000 1.011 223 S CA -0.098 58.053 58.200 -0.082 0.000 0.921 223 S CB 0.252 63.430 63.200 -0.036 0.000 0.785 223 S HN 0.756 nan 8.310 nan 0.000 0.517 224 D N -0.601 119.953 120.400 0.256 0.000 2.766 224 D HA 0.433 5.073 4.640 -0.000 0.000 0.244 224 D C -1.704 174.787 176.300 0.319 0.000 1.198 224 D CA -0.738 53.495 54.000 0.388 0.000 0.739 224 D CB 0.989 41.919 40.800 0.216 0.000 1.379 224 D HN 0.256 nan 8.370 nan 0.000 0.437 225 F N -0.340 119.617 119.950 0.011 0.000 2.678 225 F HA 0.734 5.261 4.527 -0.000 0.000 0.308 225 F C -1.516 174.228 175.800 -0.094 0.000 1.118 225 F CA -0.801 57.099 58.000 -0.167 0.000 0.959 225 F CB 1.418 40.405 39.000 -0.021 0.000 1.305 225 F HN 0.317 nan 8.300 nan 0.000 0.443 226 H N 0.899 119.971 119.070 0.002 0.000 2.768 226 H HA 0.803 5.359 4.556 -0.000 0.000 0.371 226 H C -1.374 173.937 175.328 -0.029 0.000 1.151 226 H CA -1.533 54.442 56.048 -0.122 0.000 1.165 226 H CB 2.604 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 1.063 121.019 119.914 0.070 0.000 2.769 227 V HA 0.831 4.951 4.120 -0.000 0.000 0.312 227 V C -0.464 175.607 176.094 -0.038 0.000 1.061 227 V CA -0.643 61.665 62.300 0.013 0.000 0.931 227 V CB 1.624 33.432 31.823 -0.025 0.000 1.010 227 V HN 0.985 nan 8.190 nan 0.000 0.433 228 A N 2.132 124.909 122.820 -0.070 0.000 2.547 228 A HA 0.866 5.185 4.320 -0.000 0.000 0.297 228 A C -0.438 177.057 177.584 -0.149 0.000 1.056 228 A CA -0.431 51.552 52.037 -0.089 0.000 0.688 228 A CB 2.056 21.027 19.000 -0.049 0.000 1.282 228 A HN 0.939 nan 8.150 nan 0.000 0.400 229 T N -0.133 114.322 114.554 -0.165 0.000 2.829 229 T HA 0.810 5.160 4.350 -0.000 0.000 0.280 229 T C -0.364 174.148 174.700 -0.313 0.000 0.999 229 T CA -0.707 61.226 62.100 -0.278 0.000 0.983 229 T CB 1.590 70.255 68.868 -0.338 0.000 0.968 229 T HN 0.704 nan 8.240 nan 0.000 0.446 230 R N 1.382 121.581 120.500 -0.502 0.000 2.750 230 R HA 0.734 5.074 4.340 -0.000 0.000 0.281 230 R C -1.425 174.457 176.300 -0.697 0.000 0.972 230 R CA -0.761 55.107 56.100 -0.386 0.000 0.912 230 R CB 1.529 31.723 30.300 -0.176 0.000 1.187 230 R HN 0.609 nan 8.270 nan 0.000 0.464 231 F N 0.568 120.517 119.950 -0.001 0.000 2.631 231 F HA 0.387 4.914 4.527 -0.000 0.000 0.328 231 F C 0.516 176.206 175.800 -0.184 0.000 1.067 231 F CA -1.112 56.838 58.000 -0.083 0.000 0.969 231 F CB 0.853 39.740 39.000 -0.188 0.000 1.332 231 F HN 0.465 nan 8.300 nan 0.000 0.490 232 N N 0.187 118.892 118.700 0.008 0.000 2.463 232 N HA 0.065 4.804 4.740 -0.000 0.000 0.270 232 N C 0.407 175.780 175.510 -0.227 0.000 1.205 232 N CA -0.161 52.843 53.050 -0.078 0.000 0.974 232 N CB 0.632 39.096 38.487 -0.038 0.000 1.197 232 N HN 0.730 nan 8.380 nan 0.000 0.504 233 D N -0.595 119.705 120.400 -0.167 0.000 2.254 233 D HA -0.272 4.368 4.640 -0.000 0.000 0.201 233 D C 0.374 176.536 176.300 -0.230 0.000 0.998 233 D CA 1.695 55.582 54.000 -0.189 0.000 0.885 233 D CB -0.362 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 -1.949 118.357 120.400 -0.156 0.000 2.469 234 D HA 0.013 4.653 4.640 -0.000 0.000 0.215 234 D C 0.256 176.674 176.300 0.198 0.000 1.154 234 D CA -0.818 53.204 54.000 0.036 0.000 0.832 234 D CB -1.044 39.806 40.800 0.083 0.000 1.008 234 D HN 0.216 nan 8.370 nan 0.000 0.506 235 F N 0.460 120.465 119.950 0.092 0.000 2.988 235 F HA -0.283 4.244 4.527 -0.000 0.000 0.287 235 F C 1.651 177.523 175.800 0.120 0.000 0.781 235 F CA 0.720 58.792 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 -0.349 115.459 115.700 0.179 0.000 2.528 236 S HA 0.183 4.653 4.470 -0.000 0.000 0.219 236 S C 0.646 175.300 174.600 0.090 0.000 0.985 236 S CA 0.064 58.338 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 0.455 121.017 120.500 0.103 0.000 2.566 237 R HA 0.790 5.130 4.340 -0.000 0.000 0.271 237 R C -1.226 175.096 176.300 0.037 0.000 1.071 237 R CA -0.289 55.835 56.100 0.040 0.000 0.915 237 R CB 1.255 31.555 30.300 0.001 0.000 1.228 237 R HN 0.176 nan 8.270 nan 0.000 0.449 238 A N 1.335 124.117 122.820 -0.064 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 -0.206 0.000 0.775 238 A CB 2.156 21.012 19.000 -0.240 0.000 1.340 238 A HN 0.318 nan 8.150 nan 0.000 0.427 239 V N 1.326 121.120 119.914 -0.200 0.000 2.482 239 V HA 0.374 4.494 4.120 -0.000 0.000 0.295 239 V C -1.080 174.959 176.094 -0.092 0.000 1.026 239 V CA -0.447 61.784 62.300 -0.115 0.000 0.856 239 V CB 1.346 33.103 31.823 -0.110 0.000 1.001 239 V HN 0.801 nan 8.190 nan 0.000 0.424 240 L N 5.317 126.523 121.223 -0.029 0.000 2.276 240 L HA 0.606 4.946 4.340 -0.000 0.000 0.286 240 L C -0.027 176.806 176.870 -0.061 0.000 1.061 240 L CA 0.238 55.046 54.840 -0.052 0.000 0.807 240 L CB 1.039 43.092 42.059 -0.009 0.000 1.177 240 L HN 0.868 nan 8.230 nan 0.000 0.429 241 E N 4.842 125.000 120.200 -0.070 0.000 2.218 241 E HA 0.760 5.110 4.350 -0.000 0.000 0.263 241 E C -1.778 174.808 176.600 -0.024 0.000 0.879 241 E CA -0.817 55.555 56.400 -0.047 0.000 0.762 241 E CB 1.552 31.222 29.700 -0.050 0.000 1.166 241 E HN 0.832 nan 8.360 nan 0.000 0.415 242 A N 4.281 127.093 122.820 -0.014 0.000 2.343 242 A HA 0.472 4.792 4.320 -0.000 0.000 0.316 242 A C -0.890 176.686 177.584 -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 2.211 122.402 120.200 -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 -0.097 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 0.356 4.476 4.120 -0.000 0.000 0.305 244 V C -0.575 175.526 176.094 0.011 0.000 1.043 244 V CA -0.827 61.441 62.300 -0.052 0.000 0.888 244 V CB 1.695 33.460 31.823 -0.097 0.000 0.995 244 V HN 0.748 nan 8.190 nan 0.000 0.429 245 Q N 4.171 124.013 119.800 0.069 0.000 2.365 245 Q HA 0.833 5.173 4.340 -0.000 0.000 0.269 245 Q C -0.830 175.256 176.000 0.142 0.000 1.061 245 Q CA -0.823 55.057 55.803 0.128 0.000 0.816 245 Q CB 2.819 31.570 28.738 0.022 0.000 1.325 245 Q HN 0.856 nan 8.270 nan 0.000 0.446 246 M N -0.879 118.783 119.600 0.103 0.000 2.662 246 M HA 0.776 5.256 4.480 -0.000 0.000 0.310 246 M C -1.312 174.896 176.300 -0.154 0.000 1.204 246 M CA -0.505 54.739 55.300 -0.094 0.000 0.891 246 M CB 2.114 34.482 32.600 -0.388 0.000 1.732 246 M HN 0.550 nan 8.290 nan 0.000 0.467 247 C N 1.511 120.709 119.300 -0.170 0.000 2.563 247 C HA 1.017 5.476 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 0.933 28.603 27.740 -0.117 0.000 2.173 247 C HN 1.305 nan 8.230 nan 0.000 0.485 248 G N 3.173 111.883 108.800 -0.151 0.000 2.265 248 G HA2 0.080 4.040 3.960 -0.000 0.000 0.246 248 G HA3 0.080 4.040 3.960 -0.000 0.000 0.246 248 G C -1.209 173.602 174.900 -0.148 0.000 1.299 248 G CA -0.482 44.530 45.100 -0.147 0.000 1.117 248 G HN 0.744 nan 8.290 nan 0.000 0.485 249 E N 0.443 120.555 120.200 -0.146 0.000 2.044 249 E HA 0.587 4.937 4.350 -0.000 0.000 0.282 249 E C 0.339 176.825 176.600 -0.190 0.000 1.031 249 E CA -0.401 55.921 56.400 -0.131 0.000 0.824 249 E CB 0.604 30.254 29.700 -0.084 0.000 1.076 249 E HN 0.523 nan 8.360 nan 0.000 0.395 250 L N 5.309 126.419 121.223 -0.190 0.000 2.410 250 L HA 0.321 4.661 4.340 -0.000 0.000 0.273 250 L C -0.004 176.747 176.870 -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 -0.204 0.000 1.140 250 L HN 0.487 nan 8.230 nan 0.000 0.463 251 R N 2.578 122.904 120.500 -0.291 0.000 2.626 251 R HA 0.141 4.480 4.340 -0.000 0.000 0.274 251 R C -0.069 176.039 176.300 -0.321 0.000 1.031 251 R CA -0.620 55.304 56.100 -0.294 0.000 0.898 251 R CB 1.666 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 1.387 121.733 120.400 -0.090 0.000 2.384 252 D HA -0.158 4.482 4.640 -0.000 0.000 0.222 252 D C 0.860 177.179 176.300 0.032 0.000 0.976 252 D CA 1.166 55.163 54.000 -0.005 0.000 0.915 252 D CB 0.003 40.846 40.800 0.072 0.000 0.896 252 D HN 0.688 nan 8.370 nan 0.000 0.523 253 Y N -0.601 119.700 120.300 0.001 0.000 2.468 253 Y HA 0.393 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 38.186 38.460 0.006 0.000 1.103 253 Y HN -0.236 nan 8.280 nan 0.000 0.522 254 L N 2.931 123.944 121.223 -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 -0.190 54.508 54.840 -0.235 0.000 0.825 254 L CB 0.626 42.545 42.059 -0.234 0.000 1.117 254 L HN 0.242 nan 8.230 nan 0.000 0.456 255 R N 2.037 122.381 120.500 -0.261 0.000 2.799 255 R HA 0.761 5.101 4.340 -0.000 0.000 0.270 255 R C -1.504 174.489 176.300 -0.512 0.000 1.010 255 R CA -0.839 55.026 56.100 -0.391 0.000 0.916 255 R CB 2.370 32.389 30.300 -0.468 0.000 1.228 255 R HN 0.288 nan 8.270 nan 0.000 0.469 256 V N 0.661 120.374 119.914 -0.335 0.000 2.760 256 V HA 0.517 4.637 4.120 -0.000 0.000 0.309 256 V C -0.613 175.471 176.094 -0.016 0.000 1.077 256 V CA -0.627 61.554 62.300 -0.198 0.000 0.910 256 V CB 2.411 34.040 31.823 -0.322 0.000 1.008 256 V HN 0.783 nan 8.190 nan 0.000 0.424 257 T N 3.439 118.054 114.554 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 1.864 70.820 68.868 0.147 0.000 0.997 257 T HN 0.370 nan 8.240 nan 0.000 0.443 258 V N 3.297 123.205 119.914 -0.009 0.000 2.531 258 V HA 0.695 4.815 4.120 -0.000 0.000 0.301 258 V C -0.337 175.749 176.094 -0.013 0.000 1.034 258 V CA -0.839 61.452 62.300 -0.015 0.000 0.865 258 V CB 1.811 33.613 31.823 -0.034 0.000 0.995 258 V HN 1.065 nan 8.190 nan 0.000 0.424 259 S N 5.197 120.912 115.700 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 65.543 63.200 0.040 0.000 1.048 259 S HN 0.459 nan 8.310 nan 0.000 0.483 260 L N 2.228 123.341 121.223 -0.182 0.000 2.322 260 L HA 0.747 5.086 4.340 -0.000 0.000 0.281 260 L C -1.807 174.939 176.870 -0.206 0.000 1.014 260 L CA -0.439 54.377 54.840 -0.040 0.000 0.815 260 L CB 0.732 42.782 42.059 -0.015 0.000 1.247 260 L HN 0.881 nan 8.230 nan 0.000 0.421 261 W N 3.085 124.484 121.300 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 -0.586 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 2.422 122.463 119.800 0.402 0.000 2.721 262 Q HA 0.490 4.830 4.340 -0.000 0.000 0.257 262 Q C 0.733 176.816 176.000 0.139 0.000 1.070 262 Q CA 0.638 56.532 55.803 0.152 0.000 0.910 262 Q CB 0.318 29.109 28.738 0.088 0.000 1.163 262 Q HN 0.729 nan 8.270 nan 0.000 0.501 263 G N 2.329 111.204 108.800 0.125 0.000 2.675 263 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.312 263 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.312 263 G C 0.779 175.753 174.900 0.124 0.000 1.186 263 G CA 0.403 45.547 45.100 0.073 0.000 0.965 263 G HN 0.518 nan 8.290 nan 0.000 0.548 264 E N 1.377 121.650 120.200 0.123 0.000 2.230 264 E HA 0.193 4.543 4.350 -0.000 0.000 0.192 264 E C 1.504 178.312 176.600 0.345 0.000 0.987 264 E CA 1.033 57.522 56.400 0.149 0.000 0.841 264 E CB -0.307 29.443 29.700 0.084 0.000 0.783 264 E HN 0.492 nan 8.360 nan 0.000 0.481 265 T N 1.249 115.989 114.554 0.310 0.000 2.856 265 T HA 0.176 4.526 4.350 -0.000 0.000 0.292 265 T C 0.043 174.861 174.700 0.196 0.000 0.980 265 T CA -0.367 61.887 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 2.756 122.400 119.800 -0.260 0.000 2.322 266 Q HA 0.286 4.626 4.340 -0.000 0.000 0.256 266 Q C 0.447 176.177 176.000 -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 28.687 28.738 -1.626 0.000 1.200 266 Q HN 0.618 nan 8.270 nan 0.000 0.435 267 V N 1.848 121.558 119.914 -0.341 0.000 2.825 267 V HA 0.380 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 31.628 31.823 -0.004 0.000 0.733 267 V HN 0.718 nan 8.190 nan 0.000 0.468 268 A N -1.114 121.559 122.820 -0.246 0.000 2.594 268 A HA 0.744 5.063 4.320 -0.000 0.000 0.296 268 A C -0.809 176.652 177.584 -0.206 0.000 1.056 268 A CA -0.004 51.921 52.037 -0.186 0.000 0.693 268 A CB 1.663 20.591 19.000 -0.121 0.000 1.278 268 A HN 0.055 nan 8.150 nan 0.000 0.408 269 S N -0.953 114.657 115.700 -0.151 0.000 2.588 269 S HA 0.911 5.381 4.470 -0.000 0.000 0.275 269 S C -0.411 174.143 174.600 -0.077 0.000 1.130 269 S CA 0.128 58.257 58.200 -0.119 0.000 0.855 269 S CB 1.989 65.115 63.200 -0.125 0.000 1.116 269 S HN 2.263 nan 8.310 nan 0.000 0.472 270 G N 1.161 109.928 108.800 -0.055 0.000 2.759 270 G HA2 0.591 4.550 3.960 -0.000 0.000 0.297 270 G HA3 0.591 4.550 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 -0.135 114.406 114.554 -0.021 0.000 2.893 271 T HA 0.903 5.253 4.350 -0.000 0.000 0.293 271 T C -0.198 174.481 174.700 -0.034 0.000 1.027 271 T CA 0.146 62.245 62.100 -0.001 0.000 0.988 271 T CB 1.838 70.738 68.868 0.052 0.000 1.043 271 T HN 1.765 nan 8.240 nan 0.000 0.461 272 A N 3.149 125.926 122.820 -0.072 0.000 2.566 272 A HA 0.905 5.224 4.320 -0.000 0.000 0.290 272 A C -3.243 174.244 177.584 -0.161 0.000 1.071 272 A CA -1.385 50.591 52.037 -0.102 0.000 0.658 272 A CB 1.115 20.044 19.000 -0.117 0.000 1.285 272 A HN 0.533 nan 8.150 nan 0.000 0.427 273 P HA 0.670 nan 4.420 nan 0.000 0.289 273 P C -0.738 176.494 177.300 -0.114 0.000 1.293 273 P CA -0.489 62.562 63.100 -0.081 0.000 0.897 273 P CB 0.514 32.208 31.700 -0.009 0.000 1.166 274 F N 0.609 120.510 119.950 -0.083 0.000 2.535 274 F HA 0.427 4.954 4.527 -0.000 0.000 0.332 274 F C 1.610 177.389 175.800 -0.035 0.000 1.208 274 F CA 1.812 59.775 58.000 -0.062 0.000 1.330 274 F CB -0.268 38.688 39.000 -0.072 0.000 1.167 274 F HN 0.625 nan 8.300 nan 0.000 0.597 275 G N 0.834 109.752 108.800 0.197 0.000 3.438 275 G HA2 0.380 4.340 3.960 -0.000 0.000 0.684 275 G HA3 0.380 4.340 3.960 -0.000 0.000 0.684 275 G C -0.470 174.470 174.900 0.067 0.000 1.192 275 G CA -0.781 44.390 45.100 0.119 0.000 1.013 275 G HN 1.060 nan 8.290 nan 0.000 0.530 276 G N 0.656 109.512 108.800 0.094 0.000 2.537 276 G HA2 0.755 4.715 3.960 -0.000 0.000 0.297 276 G HA3 0.755 4.715 3.960 -0.000 0.000 0.297 276 G C 0.074 175.006 174.900 0.054 0.000 1.310 276 G CA -0.331 44.816 45.100 0.079 0.000 1.027 276 G HN 0.888 nan 8.290 nan 0.000 0.505 277 E N -0.850 119.378 120.200 0.048 0.000 2.345 277 E HA 0.384 4.734 4.350 -0.000 0.000 0.259 277 E C -0.315 176.304 176.600 0.032 0.000 1.117 277 E CA -0.643 55.775 56.400 0.029 0.000 0.913 277 E CB 0.816 30.528 29.700 0.020 0.000 1.057 277 E HN 0.220 nan 8.360 nan 0.000 0.432 278 I N 1.614 122.192 120.570 0.013 0.000 2.710 278 I HA -0.055 4.115 4.170 -0.000 0.000 0.286 278 I C 1.036 177.159 176.117 0.009 0.000 1.181 278 I CA 0.683 61.984 61.300 0.001 0.000 1.430 278 I CB 0.189 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 0.898 121.466 120.570 -0.003 0.000 4.244 279 I HA 0.426 4.596 4.170 -0.000 0.000 0.318 279 I C -0.177 175.939 176.117 -0.002 0.000 1.282 279 I CA 0.173 61.481 61.300 0.014 0.000 1.276 279 I CB 0.357 38.389 38.000 0.054 0.000 1.183 279 I HN 0.607 nan 8.210 nan 0.000 0.431 280 D N -0.373 120.012 120.400 -0.024 0.000 2.946 280 D HA 0.189 4.829 4.640 -0.000 0.000 0.337 280 D C 0.371 176.655 176.300 -0.027 0.000 1.332 280 D CA -0.461 53.527 54.000 -0.021 0.000 0.935 280 D CB 0.341 41.129 40.800 -0.021 0.000 1.440 280 D HN -0.084 nan 8.370 nan 0.000 0.540 281 E N -0.871 119.315 120.200 -0.023 0.000 2.209 281 E HA -0.080 4.269 4.350 -0.000 0.000 0.196 281 E C 1.520 178.102 176.600 -0.031 0.000 0.993 281 E CA 1.132 57.518 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 56.793 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 -0.393 174.449 174.900 -0.098 0.000 1.266 283 G CA -0.624 44.434 45.100 -0.070 0.000 1.210 283 G HN 0.426 nan 8.290 nan 0.000 0.524 284 G N -1.829 106.908 108.800 -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 -1.611 173.153 174.900 -0.226 0.000 1.320 284 G CA -0.746 44.284 45.100 -0.117 0.000 0.982 284 G HN 0.735 nan 8.290 nan 0.000 0.575 285 Y N 0.836 121.150 120.300 0.024 0.000 2.404 285 Y HA 0.460 5.010 4.550 -0.000 0.000 0.344 285 Y C 1.369 177.300 175.900 0.052 0.000 0.970 285 Y CA 0.023 58.144 58.100 0.035 0.000 1.180 285 Y CB 1.857 40.343 38.460 0.044 0.000 1.138 285 Y HN 0.535 nan 8.280 nan 0.000 0.510 286 A N 1.830 124.735 122.820 0.142 0.000 1.968 286 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 286 A C 1.326 179.007 177.584 0.162 0.000 1.169 286 A CA 1.472 53.576 52.037 0.111 0.000 0.638 286 A CB -0.242 18.780 19.000 0.036 0.000 0.812 286 A HN 0.788 nan 8.150 nan 0.000 0.446 287 D N -0.603 119.897 120.400 0.168 0.000 2.460 287 D HA 0.167 4.807 4.640 -0.000 0.000 0.229 287 D C 0.389 176.904 176.300 0.358 0.000 1.170 287 D CA -0.073 53.990 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 -0.995 119.777 120.500 0.454 0.000 2.817 288 R HA 0.762 5.102 4.340 -0.000 0.000 0.268 288 R C -1.595 174.763 176.300 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 0.118 119.957 119.914 -0.126 0.000 3.077 289 V HA 0.501 4.620 4.120 -0.000 0.000 0.299 289 V C -1.677 174.312 176.094 -0.174 0.000 1.276 289 V CA -0.256 61.906 62.300 -0.230 0.000 0.993 289 V CB 2.755 34.268 31.823 -0.515 0.000 1.076 289 V HN 0.819 nan 8.190 nan 0.000 0.434 290 T N 6.919 121.399 114.554 -0.123 0.000 2.841 290 T HA 0.744 5.094 4.350 -0.000 0.000 0.285 290 T C -1.056 173.594 174.700 -0.084 0.000 0.991 290 T CA -0.269 61.777 62.100 -0.089 0.000 0.966 290 T CB 1.225 70.063 68.868 -0.051 0.000 0.962 290 T HN 0.482 nan 8.240 nan 0.000 0.438 291 L N 2.811 123.988 121.223 -0.077 0.000 2.330 291 L HA 0.656 4.996 4.340 -0.000 0.000 0.271 291 L C 0.382 177.220 176.870 -0.052 0.000 1.013 291 L CA -0.707 54.092 54.840 -0.068 0.000 0.816 291 L CB 1.306 43.321 42.059 -0.074 0.000 1.287 291 L HN 0.396 nan 8.230 nan 0.000 0.435 292 R N 2.732 123.202 120.500 -0.050 0.000 2.435 292 R HA 0.635 4.975 4.340 -0.000 0.000 0.308 292 R C -1.483 174.788 176.300 -0.048 0.000 0.975 292 R CA -0.598 55.473 56.100 -0.048 0.000 0.867 292 R CB 1.361 31.633 30.300 -0.046 0.000 1.171 292 R HN 0.475 nan 8.270 nan 0.000 0.470 293 L N 2.763 123.958 121.223 -0.047 0.000 2.317 293 L HA 0.449 4.788 4.340 -0.000 0.000 0.281 293 L C 0.069 176.909 176.870 -0.050 0.000 1.024 293 L CA -0.915 53.896 54.840 -0.048 0.000 0.810 293 L CB 1.426 43.458 42.059 -0.046 0.000 1.240 293 L HN 0.471 nan 8.230 nan 0.000 0.427 294 N N 2.019 120.683 118.700 -0.059 0.000 2.473 294 N HA 0.481 5.221 4.740 -0.000 0.000 0.291 294 N C -0.985 174.475 175.510 -0.083 0.000 1.083 294 N CA -0.336 52.674 53.050 -0.066 0.000 0.951 294 N CB 2.897 41.349 38.487 -0.059 0.000 1.164 294 N HN 0.208 nan 8.380 nan 0.000 0.480 295 V N 1.862 121.711 119.914 -0.108 0.000 2.525 295 V HA 0.200 4.320 4.120 -0.000 0.000 0.299 295 V C -0.149 175.864 176.094 -0.136 0.000 1.034 295 V CA -0.852 61.353 62.300 -0.159 0.000 0.863 295 V CB 2.152 33.790 31.823 -0.308 0.000 0.999 295 V HN 0.521 nan 8.190 nan 0.000 0.423 296 E N 3.620 123.763 120.200 -0.095 0.000 2.301 296 E HA 0.293 4.642 4.350 -0.000 0.000 0.275 296 E C -0.017 176.552 176.600 -0.050 0.000 1.030 296 E CA -0.353 56.014 56.400 -0.056 0.000 0.852 296 E CB 0.725 30.405 29.700 -0.034 0.000 1.060 296 E HN 0.693 nan 8.360 nan 0.000 0.401 297 N N 1.310 120.000 118.700 -0.015 0.000 2.699 297 N HA -0.131 4.609 4.740 -0.000 0.000 0.256 297 N C -2.353 173.150 175.510 -0.012 0.000 0.993 297 N CA 0.395 53.450 53.050 0.009 0.000 0.759 297 N CB -1.405 37.092 38.487 0.016 0.000 0.906 297 N HN 0.330 nan 8.380 nan 0.000 0.541 298 P HA 0.104 nan 4.420 nan 0.000 0.270 298 P C 0.110 177.415 177.300 0.008 0.000 1.223 298 P CA 0.229 63.210 63.100 -0.199 0.000 0.785 298 P CB 0.707 32.047 31.700 -0.598 0.000 0.923 299 K N 1.401 121.894 120.400 0.154 0.000 2.234 299 K HA 0.367 4.687 4.320 -0.000 0.000 0.277 299 K C -0.154 176.604 176.600 0.263 0.000 1.038 299 K CA -0.312 56.078 56.287 0.173 0.000 0.888 299 K CB 0.191 32.766 32.500 0.125 0.000 1.091 299 K HN 0.368 nan 8.250 nan 0.000 0.467 300 L N 2.712 124.011 121.223 0.126 0.000 2.395 300 L HA 0.347 4.686 4.340 -0.000 0.000 0.269 300 L C -0.067 176.879 176.870 0.127 0.000 1.133 300 L CA -0.726 54.194 54.840 0.132 0.000 0.812 300 L CB 0.499 42.475 42.059 -0.138 0.000 1.125 300 L HN 0.619 nan 8.230 nan 0.000 0.452 301 W N 3.090 124.416 121.300 0.044 0.000 2.381 301 W HA 0.504 5.164 4.660 -0.000 0.000 0.329 301 W C -0.024 176.442 176.519 -0.089 0.000 1.157 301 W CA 0.104 57.456 57.345 0.013 0.000 1.240 301 W CB 1.389 30.905 29.460 0.095 0.000 1.199 301 W HN 0.629 nan 8.180 nan 0.000 0.579 302 S N 2.880 117.882 115.700 -1.163 0.000 2.595 302 S HA 0.561 5.031 4.470 -0.000 0.000 0.270 302 S C 0.027 173.840 174.600 -1.312 0.000 1.145 302 S CA -0.343 57.290 58.200 -0.944 0.000 0.825 302 S CB 0.899 63.812 63.200 -0.477 0.000 1.107 302 S HN 1.146 nan 8.310 nan 0.000 0.461 303 A N 0.802 123.056 122.820 -0.942 0.000 2.019 303 A HA 0.031 4.350 4.320 -0.000 0.000 0.219 303 A C 1.776 179.032 177.584 -0.548 0.000 1.164 303 A CA 1.684 53.150 52.037 -0.952 0.000 0.644 303 A CB -1.029 17.226 19.000 -1.242 0.000 0.805 303 A HN 0.892 nan 8.150 nan 0.000 0.449 304 E N -0.866 119.147 120.200 -0.312 0.000 2.072 304 E HA -0.004 4.345 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 0.015 0.000 0.750 304 E HN 0.620 nan 8.360 nan 0.000 0.452 305 I N 0.910 121.273 120.570 -0.346 0.000 2.576 305 I HA 0.142 4.312 4.170 -0.000 0.000 0.279 305 I C -2.615 173.221 176.117 -0.469 0.000 1.114 305 I CA -1.887 59.230 61.300 -0.305 0.000 1.076 305 I CB 2.250 40.128 38.000 -0.203 0.000 1.212 305 I HN -0.234 nan 8.210 nan 0.000 0.472 306 P HA 0.076 nan 4.420 nan 0.000 0.231 306 P C -0.496 176.776 177.300 -0.047 0.000 1.756 306 P CA -0.140 62.617 63.100 -0.572 0.000 0.990 306 P CB -0.370 31.225 31.700 -0.175 0.000 1.973 307 N N 1.575 120.264 118.700 -0.018 0.000 2.447 307 N HA 0.104 4.844 4.740 -0.000 0.000 0.263 307 N C 0.104 175.816 175.510 0.336 0.000 1.226 307 N CA 0.442 53.562 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 4.866 4.340 -0.000 0.000 0.265 308 L C -0.844 176.085 176.870 0.099 0.000 1.012 308 L CA -0.872 54.112 54.840 0.240 0.000 0.820 308 L CB 1.213 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 0.578 5.128 4.550 -0.000 0.000 0.343 309 Y C -0.362 175.643 175.900 0.175 0.000 1.036 309 Y CA -0.799 57.433 58.100 0.221 0.000 1.065 309 Y CB 2.113 40.759 38.460 0.310 0.000 1.288 309 Y HN 0.377 nan 8.280 nan 0.000 0.481 310 R N 1.136 121.868 120.500 0.387 0.000 2.562 310 R HA 0.876 5.216 4.340 -0.000 0.000 0.298 310 R C -1.534 174.956 176.300 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 31.583 30.300 0.129 0.000 1.159 310 R HN 0.798 nan 8.270 nan 0.000 0.450 311 A N 3.543 126.491 122.820 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 1.600 20.693 19.000 0.156 0.000 1.230 311 A HN 0.447 nan 8.150 nan 0.000 0.448 312 V N 2.023 122.013 119.914 0.126 0.000 2.487 312 V HA 0.516 4.636 4.120 -0.000 0.000 0.298 312 V C -0.437 175.643 176.094 -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 4.810 124.647 119.914 -0.128 0.000 2.313 313 V HA 0.432 4.552 4.120 -0.000 0.000 0.278 313 V C -0.029 176.010 176.094 -0.092 0.000 1.017 313 V CA -0.483 61.713 62.300 -0.174 0.000 0.823 313 V CB 1.007 32.573 31.823 -0.428 0.000 1.010 313 V HN 1.039 nan 8.190 nan 0.000 0.443 314 E N 5.048 125.244 120.200 -0.006 0.000 2.165 314 E HA 0.565 4.915 4.350 -0.000 0.000 0.266 314 E C -1.066 175.637 176.600 0.172 0.000 0.889 314 E CA -1.055 55.392 56.400 0.079 0.000 0.756 314 E CB 2.710 32.464 29.700 0.091 0.000 1.131 314 E HN 0.405 nan 8.360 nan 0.000 0.411 315 L N 5.450 126.738 121.223 0.110 0.000 2.255 315 L HA 0.285 4.624 4.340 -0.000 0.000 0.289 315 L C -0.696 176.241 176.870 0.112 0.000 1.046 315 L CA 0.057 54.931 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 1.168 120.255 119.070 0.028 0.000 2.942 316 H HA 0.611 5.167 4.556 -0.000 0.000 0.316 316 H C -0.910 174.453 175.328 0.059 0.000 1.323 316 H CA -0.329 55.742 56.048 0.038 0.000 1.144 316 H CB 0.886 30.669 29.762 0.034 0.000 1.866 316 H HN 0.462 nan 8.280 nan 0.000 0.545 317 T N -2.854 111.828 114.554 0.213 0.000 2.881 317 T HA 0.533 4.883 4.350 -0.000 0.000 0.278 317 T C 1.465 176.336 174.700 0.284 0.000 0.982 317 T CA -0.171 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 1.038 123.999 122.820 0.235 0.000 1.940 318 A HA -0.104 4.215 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 2.095 54.247 52.037 0.191 0.000 0.631 318 A CB -1.425 17.670 19.000 0.159 0.000 0.814 318 A HN 1.046 nan 8.150 nan 0.000 0.446 319 D N -2.460 118.025 120.400 0.141 0.000 2.182 319 D HA 0.206 4.846 4.640 -0.000 0.000 0.201 319 D C 1.263 177.615 176.300 0.086 0.000 0.986 319 D CA 1.485 55.538 54.000 0.088 0.000 0.847 319 D CB -0.260 40.573 40.800 0.054 0.000 0.942 319 D HN 0.806 nan 8.370 nan 0.000 0.467 320 G N -1.476 107.403 108.800 0.132 0.000 2.227 320 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.168 320 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.168 320 G C 0.194 175.130 174.900 0.060 0.000 1.006 320 G CA -0.024 45.115 45.100 0.065 0.000 0.684 320 G HN 0.347 nan 8.290 nan 0.000 0.489 321 T N 1.917 116.540 114.554 0.115 0.000 2.814 321 T HA 0.473 4.823 4.350 -0.000 0.000 0.297 321 T C 0.246 175.033 174.700 0.144 0.000 0.956 321 T CA 0.008 62.169 62.100 0.102 0.000 1.123 321 T CB 1.567 70.491 68.868 0.094 0.000 0.902 321 T HN 0.604 nan 8.240 nan 0.000 0.528 322 L N 4.977 126.260 121.223 0.099 0.000 2.331 322 L HA 0.341 4.681 4.340 -0.000 0.000 0.278 322 L C 0.584 177.512 176.870 0.097 0.000 1.106 322 L CA 0.130 55.040 54.840 0.118 0.000 0.824 322 L CB 0.326 42.423 42.059 0.065 0.000 1.142 322 L HN 0.542 nan 8.230 nan 0.000 0.443 323 I N 3.120 123.748 120.570 0.096 0.000 2.494 323 I HA 0.158 4.328 4.170 -0.000 0.000 0.250 323 I C 0.624 176.754 176.117 0.021 0.000 1.112 323 I CA 0.930 62.256 61.300 0.044 0.000 1.438 323 I CB -0.300 37.708 38.000 0.013 0.000 1.111 323 I HN 0.869 nan 8.210 nan 0.000 0.431 324 E N -0.731 119.487 120.200 0.030 0.000 2.411 324 E HA 0.682 5.032 4.350 -0.000 0.000 0.279 324 E C -1.622 175.004 176.600 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 -0.071 nan 8.360 nan 0.000 0.436 325 A N 0.916 123.790 122.820 0.090 0.000 2.539 325 A HA 0.754 5.074 4.320 -0.000 0.000 0.296 325 A C -1.272 176.439 177.584 0.212 0.000 1.073 325 A CA -0.695 51.402 52.037 0.100 0.000 0.700 325 A CB 1.972 21.019 19.000 0.079 0.000 1.296 325 A HN 0.495 nan 8.150 nan 0.000 0.405 326 E N -0.533 119.722 120.200 0.091 0.000 2.393 326 E HA 0.783 5.133 4.350 -0.000 0.000 0.273 326 E C -0.624 175.992 176.600 0.027 0.000 0.918 326 E CA -0.472 56.040 56.400 0.187 0.000 0.773 326 E CB 2.486 32.225 29.700 0.065 0.000 1.275 326 E HN 1.190 nan 8.360 nan 0.000 0.451 327 A N 0.175 123.126 122.820 0.217 0.000 2.588 327 A HA 0.862 5.182 4.320 -0.000 0.000 0.290 327 A C -1.158 176.605 177.584 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 -0.785 118.649 119.300 0.223 0.000 3.303 328 C HA 0.688 5.148 4.460 -0.000 0.000 0.340 328 C C -1.630 173.442 174.990 0.136 0.000 1.274 328 C CA -0.999 58.142 59.018 0.204 0.000 1.234 328 C CB 0.798 28.675 27.740 0.228 0.000 1.532 328 C HN 0.847 nan 8.230 nan 0.000 0.483 329 D N 0.970 121.427 120.400 0.096 0.000 2.302 329 D HA 0.542 5.182 4.640 -0.000 0.000 0.248 329 D C -0.474 175.860 176.300 0.056 0.000 1.094 329 D CA 0.138 54.196 54.000 0.096 0.000 0.897 329 D CB 2.112 42.969 40.800 0.095 0.000 1.200 329 D HN 0.522 nan 8.370 nan 0.000 0.429 330 V N 0.751 120.728 119.914 0.105 0.000 2.656 330 V HA 0.649 4.769 4.120 -0.000 0.000 0.307 330 V C 0.381 176.521 176.094 0.078 0.000 1.051 330 V CA -0.698 61.612 62.300 0.016 0.000 0.893 330 V CB 2.183 33.998 31.823 -0.013 0.000 0.999 330 V HN 0.667 nan 8.190 nan 0.000 0.426 331 G N 2.765 111.500 108.800 -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 -1.258 173.632 174.900 -0.018 0.000 1.369 331 G CA -0.407 44.704 45.100 0.018 0.000 0.958 331 G HN 0.404 nan 8.290 nan 0.000 0.499 332 F N 2.275 122.408 119.950 0.305 0.000 2.413 332 F HA 0.563 5.089 4.527 -0.000 0.000 0.359 332 F C 0.940 176.966 175.800 0.376 0.000 1.122 332 F CA -0.254 57.976 58.000 0.383 0.000 1.160 332 F CB 1.095 40.346 39.000 0.417 0.000 1.146 332 F HN 0.535 nan 8.300 nan 0.000 0.514 333 R N 1.235 122.022 120.500 0.480 0.000 2.664 333 R HA 0.482 4.822 4.340 -0.000 0.000 0.266 333 R C -1.722 174.719 176.300 0.236 0.000 1.046 333 R CA -1.113 55.119 56.100 0.221 0.000 0.885 333 R CB 1.536 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 2.018 122.262 120.200 0.072 0.000 2.199 334 E HA 0.462 4.811 4.350 -0.000 0.000 0.265 334 E C -1.353 175.309 176.600 0.103 0.000 0.882 334 E CA -0.986 55.517 56.400 0.172 0.000 0.759 334 E CB 2.119 31.970 29.700 0.252 0.000 1.148 334 E HN 0.419 nan 8.360 nan 0.000 0.412 335 V N 5.528 125.501 119.914 0.099 0.000 2.384 335 V HA 0.563 4.683 4.120 -0.000 0.000 0.287 335 V C -0.211 175.919 176.094 0.060 0.000 1.020 335 V CA -0.530 61.802 62.300 0.054 0.000 0.850 335 V CB 1.124 32.960 31.823 0.021 0.000 0.987 335 V HN 0.749 nan 8.190 nan 0.000 0.436 336 R N 4.421 124.953 120.500 0.052 0.000 2.680 336 R HA 0.691 5.031 4.340 -0.000 0.000 0.269 336 R C -2.007 174.316 176.300 0.038 0.000 1.026 336 R CA -0.869 55.263 56.100 0.054 0.000 0.889 336 R CB 1.716 32.060 30.300 0.073 0.000 1.241 336 R HN 0.509 nan 8.270 nan 0.000 0.463 337 I N 1.966 122.558 120.570 0.037 0.000 2.312 337 I HA 0.305 4.475 4.170 -0.000 0.000 0.290 337 I C -0.513 175.623 176.117 0.031 0.000 1.008 337 I CA -0.279 61.037 61.300 0.028 0.000 1.226 337 I CB 1.617 39.635 38.000 0.030 0.000 1.371 337 I HN 0.704 nan 8.210 nan 0.000 0.468 338 E N 6.435 126.650 120.200 0.025 0.000 2.263 338 E HA 0.232 4.582 4.350 -0.000 0.000 0.268 338 E C -0.248 176.362 176.600 0.018 0.000 0.884 338 E CA -0.639 55.777 56.400 0.027 0.000 0.766 338 E CB 1.078 30.799 29.700 0.034 0.000 1.196 338 E HN 0.528 nan 8.360 nan 0.000 0.416 339 N N 3.366 122.077 118.700 0.018 0.000 2.727 339 N HA -0.236 4.504 4.740 -0.000 0.000 0.249 339 N C 0.470 175.985 175.510 0.008 0.000 1.048 339 N CA 2.091 55.149 53.050 0.013 0.000 0.714 339 N CB -1.227 37.267 38.487 0.012 0.000 0.959 339 N HN 1.023 nan 8.380 nan 0.000 0.544 340 G N -2.204 106.601 108.800 0.007 0.000 2.176 340 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.253 340 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.253 340 G C -0.072 174.823 174.900 -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 -0.016 121.203 121.223 -0.007 0.000 2.362 341 L HA 0.740 5.080 4.340 -0.000 0.000 0.271 341 L C -0.049 176.811 176.870 -0.016 0.000 1.002 341 L CA -1.351 53.478 54.840 -0.018 0.000 0.818 341 L CB 1.902 43.950 42.059 -0.019 0.000 1.298 341 L HN 0.090 nan 8.230 nan 0.000 0.420 342 L N 3.984 125.186 121.223 -0.035 0.000 2.278 342 L HA 0.502 4.841 4.340 -0.000 0.000 0.287 342 L C -0.914 175.933 176.870 -0.038 0.000 1.072 342 L CA 0.324 55.143 54.840 -0.035 0.000 0.819 342 L CB 0.480 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 5.943 127.158 121.223 -0.012 0.000 2.342 343 L HA 0.578 4.918 4.340 -0.000 0.000 0.271 343 L C -0.808 176.068 176.870 0.010 0.000 1.008 343 L CA -0.759 54.083 54.840 0.003 0.000 0.818 343 L CB 1.989 44.071 42.059 0.038 0.000 1.296 343 L HN 0.575 nan 8.230 nan 0.000 0.427 344 L N 3.319 124.557 121.223 0.024 0.000 2.372 344 L HA 0.482 4.822 4.340 -0.000 0.000 0.274 344 L C -0.418 176.493 176.870 0.069 0.000 0.988 344 L CA -0.258 54.609 54.840 0.045 0.000 0.833 344 L CB 0.973 43.049 42.059 0.028 0.000 1.236 344 L HN 0.659 nan 8.230 nan 0.000 0.410 345 N N 4.111 122.759 118.700 -0.087 0.000 2.727 345 N HA -0.223 4.517 4.740 -0.000 0.000 0.249 345 N C 0.817 176.125 175.510 -0.337 0.000 1.048 345 N CA 1.403 54.167 53.050 -0.477 0.000 0.714 345 N CB -1.071 37.012 38.487 -0.673 0.000 0.959 345 N HN 1.153 nan 8.380 nan 0.000 0.544 346 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 0.020 174.971 174.900 0.084 0.000 1.021 346 G CA 0.674 45.862 45.100 0.146 0.000 0.619 346 G HN 0.479 nan 8.290 nan 0.000 0.510 347 K N 1.229 121.669 120.400 0.066 0.000 2.139 347 K HA 0.597 4.917 4.320 -0.000 0.000 0.243 347 K C -3.040 173.546 176.600 -0.023 0.000 0.983 347 K CA -2.010 54.271 56.287 -0.010 0.000 0.890 347 K CB 2.210 34.628 32.500 -0.136 0.000 1.090 347 K HN 0.119 nan 8.250 nan 0.000 0.445 348 P HA 0.313 nan 4.420 nan 0.000 0.297 348 P C -0.238 177.003 177.300 -0.097 0.000 1.331 348 P CA -0.375 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 3.409 124.569 121.223 -0.106 0.000 2.466 349 L HA 0.347 4.687 4.340 -0.000 0.000 0.257 349 L C 0.468 177.258 176.870 -0.132 0.000 1.189 349 L CA -0.617 54.148 54.840 -0.126 0.000 0.813 349 L CB 0.427 42.377 42.059 -0.183 0.000 1.118 349 L HN 0.235 nan 8.230 nan 0.000 0.471 350 L N 3.114 124.272 121.223 -0.108 0.000 2.485 350 L HA 0.398 4.738 4.340 -0.000 0.000 0.260 350 L C -0.605 176.211 176.870 -0.090 0.000 0.998 350 L CA -0.270 54.493 54.840 -0.128 0.000 0.883 350 L CB 0.866 42.880 42.059 -0.074 0.000 1.196 350 L HN 0.213 nan 8.230 nan 0.000 0.443 351 I N 4.317 124.767 120.570 -0.199 0.000 2.505 351 I HA 0.147 4.317 4.170 -0.000 0.000 0.287 351 I C 0.646 176.694 176.117 -0.115 0.000 1.104 351 I CA 0.314 61.500 61.300 -0.190 0.000 1.387 351 I CB 0.288 38.050 38.000 -0.397 0.000 1.404 351 I HN 0.532 nan 8.210 nan 0.000 0.528 352 R N 4.790 125.303 120.500 0.022 0.000 2.937 352 R HA 0.466 4.806 4.340 -0.000 0.000 0.264 352 R C 0.535 176.913 176.300 0.129 0.000 1.334 352 R CA -0.265 55.881 56.100 0.078 0.000 1.516 352 R CB 0.817 31.031 30.300 -0.142 0.000 1.187 352 R HN 0.782 nan 8.270 nan 0.000 0.609 353 G N 0.019 108.844 108.800 0.042 0.000 2.552 353 G HA2 0.628 4.588 3.960 -0.000 0.000 0.324 353 G HA3 0.628 4.588 3.960 -0.000 0.000 0.324 353 G C -1.279 173.925 174.900 0.507 0.000 1.217 353 G CA -0.509 44.644 45.100 0.088 0.000 0.989 353 G HN 0.228 nan 8.290 nan 0.000 0.490 354 V N -0.239 120.011 119.914 0.560 0.000 3.048 354 V HA 0.483 4.603 4.120 -0.000 0.000 0.303 354 V C -1.313 174.941 176.094 0.265 0.000 1.214 354 V CA -1.193 61.318 62.300 0.352 0.000 0.984 354 V CB 2.290 34.071 31.823 -0.070 0.000 1.054 354 V HN 0.774 nan 8.190 nan 0.000 0.430 355 N N 3.876 122.637 118.700 0.101 0.000 2.498 355 N HA 0.552 5.292 4.740 -0.000 0.000 0.287 355 N C -0.830 174.492 175.510 -0.313 0.000 1.097 355 N CA -0.438 52.538 53.050 -0.123 0.000 0.973 355 N CB 1.798 40.220 38.487 -0.109 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 0.246 4.586 4.340 -0.000 0.000 0.283 356 R C -1.197 174.866 176.300 -0.395 0.000 1.074 356 R CA -0.553 55.346 56.100 -0.335 0.000 0.925 356 R CB 1.020 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 2.002 120.944 119.070 -0.215 0.000 2.495 357 H HA 0.186 4.742 4.556 -0.000 0.000 0.350 357 H C -0.533 174.795 175.328 0.000 0.000 1.202 357 H CA -0.216 55.788 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 1.634 122.029 120.200 0.325 0.000 1.963 358 E HA 0.112 4.461 4.350 -0.000 0.000 0.274 358 E C -0.773 175.965 176.600 0.229 0.000 1.061 358 E CA -0.033 56.469 56.400 0.171 0.000 0.847 358 E CB 0.224 30.023 29.700 0.166 0.000 1.083 358 E HN 0.390 nan 8.360 nan 0.000 0.402 359 H N 1.564 120.683 119.070 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 55.396 56.048 0.069 0.000 1.253 359 H CB 1.080 30.877 29.762 0.058 0.000 1.757 359 H HN 0.367 nan 8.280 nan 0.000 0.523 360 H N 6.503 125.199 119.070 -0.623 0.000 2.744 360 H HA 0.202 4.758 4.556 -0.000 0.000 0.339 360 H C -2.224 172.659 175.328 -0.741 0.000 1.004 360 H CA -2.453 53.289 56.048 -0.511 0.000 1.257 360 H CB 2.495 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 -2.126 119.107 121.223 0.018 0.000 2.349 362 L HA 0.105 4.445 4.340 -0.000 0.000 0.200 362 L C 2.462 179.271 176.870 -0.103 0.000 1.064 362 L CA 0.614 55.415 54.840 -0.065 0.000 0.821 362 L CB -0.756 41.157 42.059 -0.243 0.000 1.027 362 L HN -0.008 nan 8.230 nan 0.000 0.476 363 H N -0.309 118.730 119.070 -0.051 0.000 2.551 363 H HA 0.186 4.742 4.556 -0.000 0.000 0.266 363 H C 1.460 176.670 175.328 -0.197 0.000 0.977 363 H CA 0.132 56.033 56.048 -0.246 0.000 1.163 363 H CB 0.305 29.799 29.762 -0.448 0.000 1.381 363 H HN 0.447 nan 8.280 nan 0.000 0.581 364 G N 1.438 110.158 108.800 -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 0.499 175.312 174.900 -0.144 0.000 1.146 364 G CA 0.243 45.209 45.100 -0.223 0.000 0.961 364 G HN 0.453 nan 8.290 nan 0.000 0.549 365 Q N 0.117 119.843 119.800 -0.125 0.000 2.247 365 Q HA 0.447 4.787 4.340 -0.000 0.000 0.205 365 Q C 0.296 176.331 176.000 0.058 0.000 0.896 365 Q CA -0.045 55.714 55.803 -0.075 0.000 0.950 365 Q CB 0.764 29.351 28.738 -0.252 0.000 1.054 365 Q HN 0.384 nan 8.270 nan 0.000 0.482 366 V N 1.825 121.777 119.914 0.062 0.000 2.432 366 V HA 0.234 4.354 4.120 -0.000 0.000 0.275 366 V C 0.140 176.272 176.094 0.063 0.000 1.043 366 V CA -0.204 62.154 62.300 0.096 0.000 0.925 366 V CB 1.036 32.870 31.823 0.019 0.000 0.985 366 V HN 0.325 nan 8.190 nan 0.000 0.466 367 M N 4.413 124.044 119.600 0.052 0.000 2.528 367 M HA 0.581 5.061 4.480 -0.000 0.000 0.318 367 M C -0.563 175.680 176.300 -0.095 0.000 1.195 367 M CA -0.546 54.742 55.300 -0.018 0.000 1.000 367 M CB 1.652 34.208 32.600 -0.073 0.000 1.615 367 M HN 0.965 nan 8.290 nan 0.000 0.469 368 D N -2.124 118.234 120.400 -0.070 0.000 2.655 368 D HA 0.235 4.875 4.640 -0.000 0.000 0.229 368 D C 0.249 176.540 176.300 -0.014 0.000 1.229 368 D CA -0.701 53.261 54.000 -0.063 0.000 0.807 368 D CB 1.422 42.220 40.800 -0.004 0.000 1.514 368 D HN 0.674 nan 8.370 nan 0.000 0.444 369 E N 0.319 120.520 120.200 0.001 0.000 2.082 369 E HA -0.431 3.918 4.350 -0.000 0.000 0.215 369 E C 1.590 178.244 176.600 0.090 0.000 1.048 369 E CA 2.175 58.613 56.400 0.063 0.000 0.869 369 E CB 0.024 29.774 29.700 0.083 0.000 0.773 369 E HN 0.581 nan 8.360 nan 0.000 0.466 370 Q N -0.654 119.197 119.800 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 2.706 58.567 55.803 0.095 0.000 0.866 370 Q CB -0.436 28.359 28.738 0.095 0.000 0.938 370 Q HN 0.436 nan 8.270 nan 0.000 0.414 371 T N 1.188 115.813 114.554 0.118 0.000 2.622 371 T HA -0.215 4.135 4.350 -0.000 0.000 0.266 371 T C 1.950 176.733 174.700 0.139 0.000 1.047 371 T CA 1.777 63.957 62.100 0.134 0.000 1.159 371 T CB -0.319 68.642 68.868 0.155 0.000 0.863 371 T HN 0.277 nan 8.240 nan 0.000 0.422 372 M N 0.652 120.339 119.600 0.145 0.000 2.151 372 M HA -0.182 4.298 4.480 -0.000 0.000 0.256 372 M C 2.495 178.924 176.300 0.215 0.000 1.072 372 M CA 1.717 57.172 55.300 0.259 0.000 1.090 372 M CB -1.013 31.770 32.600 0.305 0.000 1.294 372 M HN 0.116 nan 8.290 nan 0.000 0.415 373 V N -0.097 119.890 119.914 0.123 0.000 2.392 373 V HA -0.312 3.808 4.120 -0.000 0.000 0.249 373 V C 2.302 178.396 176.094 0.000 0.000 1.059 373 V CA 2.034 64.340 62.300 0.010 0.000 1.051 373 V CB -0.966 30.881 31.823 0.041 0.000 0.658 373 V HN 0.545 nan 8.190 nan 0.000 0.455 374 Q N -0.269 119.576 119.800 0.074 0.000 2.045 374 Q HA -0.283 4.057 4.340 -0.000 0.000 0.206 374 Q C 2.137 178.214 176.000 0.128 0.000 0.991 374 Q CA 2.267 58.127 55.803 0.095 0.000 0.851 374 Q CB -0.184 28.626 28.738 0.121 0.000 0.911 374 Q HN 0.644 nan 8.270 nan 0.000 0.418 375 D N 0.244 120.747 120.400 0.172 0.000 2.106 375 D HA -0.198 4.442 4.640 -0.000 0.000 0.191 375 D C 1.902 178.184 176.300 -0.031 0.000 0.997 375 D CA 1.282 55.392 54.000 0.183 0.000 0.834 375 D CB -0.376 40.515 40.800 0.152 0.000 0.956 375 D HN 0.330 nan 8.370 nan 0.000 0.448 376 I N 0.604 121.134 120.570 -0.066 0.000 2.118 376 I HA -0.281 3.889 4.170 -0.000 0.000 0.241 376 I C 2.528 178.524 176.117 -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 56.205 54.840 -0.008 0.000 0.749 377 L CB -0.600 41.474 42.059 0.026 0.000 0.893 377 L HN 0.298 nan 8.230 nan 0.000 0.432 378 L N -0.928 120.383 121.223 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 1.600 56.605 54.840 0.275 0.000 0.749 378 L CB -0.407 41.941 42.059 0.481 0.000 0.890 378 L HN 0.325 nan 8.230 nan 0.000 0.431 379 M N -0.558 119.058 119.600 0.028 0.000 2.082 379 M HA -0.281 4.199 4.480 -0.000 0.000 0.258 379 M C 2.326 178.698 176.300 0.121 0.000 1.071 379 M CA 1.883 57.131 55.300 -0.087 0.000 1.103 379 M CB -0.557 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 1.652 57.806 56.287 -0.222 0.000 0.926 380 K CB -0.346 31.821 32.500 -0.556 0.000 0.713 380 K HN 0.536 nan 8.250 nan 0.000 0.444 381 Q N 0.172 120.116 119.800 0.239 0.000 2.291 381 Q HA -0.052 4.288 4.340 -0.000 0.000 0.205 381 Q C 0.861 177.146 176.000 0.476 0.000 0.970 381 Q CA 0.737 56.801 55.803 0.436 0.000 0.876 381 Q CB 0.065 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 0.844 119.793 118.700 0.415 0.000 2.320 382 N HA 0.053 4.792 4.740 -0.000 0.000 0.237 382 N C -0.686 174.972 175.510 0.246 0.000 1.129 382 N CA -0.010 53.286 53.050 0.411 0.000 0.854 382 N CB 0.619 39.416 38.487 0.517 0.000 1.083 382 N HN 0.166 nan 8.380 nan 0.000 0.504 383 N N 0.191 119.020 118.700 0.216 0.000 2.776 383 N HA -0.177 4.562 4.740 -0.000 0.000 0.249 383 N C -0.880 174.543 175.510 -0.144 0.000 1.111 383 N CA 0.840 53.928 53.050 0.064 0.000 0.711 383 N CB -1.771 36.636 38.487 -0.132 0.000 1.065 383 N HN 0.260 nan 8.380 nan 0.000 0.556 384 F N 0.989 120.954 119.950 0.024 0.000 2.399 384 F HA 0.386 4.913 4.527 -0.000 0.000 0.328 384 F C 1.753 177.548 175.800 -0.008 0.000 1.084 384 F CA -0.566 57.434 58.000 0.001 0.000 1.053 384 F CB 0.918 39.895 39.000 -0.038 0.000 1.209 384 F HN 0.048 nan 8.300 nan 0.000 0.502 385 N N 0.289 119.114 118.700 0.208 0.000 2.118 385 N HA 0.435 5.175 4.740 -0.000 0.000 0.226 385 N C -0.885 174.692 175.510 0.113 0.000 1.305 385 N CA 0.032 53.139 53.050 0.095 0.000 0.890 385 N CB 0.741 39.327 38.487 0.164 0.000 1.118 385 N HN 0.485 nan 8.380 nan 0.000 0.511 386 A N -0.435 122.514 122.820 0.216 0.000 2.606 386 A HA 0.783 5.103 4.320 -0.000 0.000 0.293 386 A C -1.707 176.102 177.584 0.376 0.000 1.082 386 A CA -0.595 51.627 52.037 0.309 0.000 0.685 386 A CB 1.728 20.960 19.000 0.385 0.000 1.284 386 A HN 0.375 nan 8.150 nan 0.000 0.408 387 V N 0.694 120.863 119.914 0.426 0.000 3.012 387 V HA 0.836 4.956 4.120 -0.000 0.000 0.307 387 V C -0.931 175.270 176.094 0.178 0.000 1.166 387 V CA -0.730 61.772 62.300 0.337 0.000 0.974 387 V CB 1.993 33.910 31.823 0.156 0.000 1.040 387 V HN 1.181 nan 8.190 nan 0.000 0.428 388 R N 4.486 124.936 120.500 -0.083 0.000 2.387 388 R HA 0.511 4.851 4.340 -0.000 0.000 0.314 388 R C -0.833 175.316 176.300 -0.251 0.000 0.958 388 R CA -0.484 55.410 56.100 -0.344 0.000 0.846 388 R CB 1.224 31.059 30.300 -0.775 0.000 1.147 388 R HN 0.858 nan 8.270 nan 0.000 0.447 389 C N 4.278 123.460 119.300 -0.197 0.000 3.183 389 C HA 0.106 4.566 4.460 -0.000 0.000 0.545 389 C C 0.549 175.242 174.990 -0.495 0.000 1.044 389 C CA -0.468 58.381 59.018 -0.283 0.000 1.117 389 C CB -2.136 25.546 27.740 -0.097 0.000 1.393 389 C HN 0.689 nan 8.230 nan 0.000 0.611 390 S N 1.495 116.775 115.700 -0.700 0.000 2.465 390 S HA 0.187 4.657 4.470 -0.000 0.000 0.280 390 S C -0.115 173.557 174.600 -1.547 0.000 1.232 390 S CA 0.109 57.593 58.200 -1.194 0.000 1.066 390 S CB 0.097 62.531 63.200 -1.278 0.000 0.929 390 S HN 0.739 nan 8.310 nan 0.000 0.494 391 H N 3.432 121.852 119.070 -1.082 0.000 2.597 391 H HA 0.297 4.853 4.556 -0.000 0.000 0.225 391 H C -1.191 173.994 175.328 -0.239 0.000 1.422 391 H CA -0.360 55.446 56.048 -0.403 0.000 1.335 391 H CB -0.098 29.636 29.762 -0.046 0.000 1.783 391 H HN 0.890 nan 8.280 nan 0.000 0.513 392 Y N -2.696 117.704 120.300 0.167 0.000 2.774 392 Y HA 0.437 4.987 4.550 -0.000 0.000 0.346 392 Y C -3.304 172.695 175.900 0.166 0.000 1.222 392 Y CA -3.037 55.168 58.100 0.175 0.000 1.088 392 Y CB 0.009 38.576 38.460 0.179 0.000 1.354 392 Y HN -0.108 nan 8.280 nan 0.000 0.455 393 P HA 0.220 nan 4.420 nan 0.000 0.271 393 P C -0.756 176.837 177.300 0.488 0.000 1.218 393 P CA 0.054 63.413 63.100 0.431 0.000 0.780 393 P CB 0.678 32.568 31.700 0.316 0.000 0.901 394 N N 0.151 119.152 118.700 0.501 0.000 2.491 394 N HA 0.111 4.851 4.740 -0.000 0.000 0.279 394 N C 0.003 175.763 175.510 0.417 0.000 1.236 394 N CA -0.624 52.621 53.050 0.326 0.000 0.982 394 N CB 0.387 38.816 38.487 -0.097 0.000 1.194 394 N HN 0.585 nan 8.380 nan 0.000 0.582 395 H N 2.211 121.391 119.070 0.184 0.000 3.046 395 H HA 0.027 4.583 4.556 -0.000 0.000 0.303 395 H C -1.716 173.816 175.328 0.340 0.000 1.002 395 H CA -1.119 55.047 56.048 0.197 0.000 1.460 395 H CB 0.911 30.740 29.762 0.112 0.000 1.493 395 H HN 0.419 nan 8.280 nan 0.000 0.559 396 P HA -0.282 nan 4.420 nan 0.000 0.219 396 P C 1.881 179.496 177.300 0.525 0.000 1.158 396 P CA 1.021 64.339 63.100 0.363 0.000 0.895 396 P CB 0.154 31.871 31.700 0.028 0.000 0.792 397 L N -1.179 120.421 121.223 0.629 0.000 2.081 397 L HA -0.139 4.201 4.340 -0.000 0.000 0.212 397 L C 2.414 179.533 176.870 0.415 0.000 1.080 397 L CA 1.666 56.817 54.840 0.518 0.000 0.754 397 L CB -1.429 40.939 42.059 0.516 0.000 0.893 397 L HN 0.086 nan 8.230 nan 0.000 0.433 398 W N -0.281 121.127 121.300 0.179 0.000 2.290 398 W HA -0.408 4.251 4.660 -0.000 0.000 0.328 398 W C 2.313 178.745 176.519 -0.146 0.000 1.272 398 W CA 2.271 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 0.284 nan 8.180 nan 0.000 0.473 399 Y N 0.710 120.987 120.300 -0.038 0.000 2.193 399 Y HA -0.283 4.267 4.550 -0.000 0.000 0.285 399 Y C 2.834 178.514 175.900 -0.368 0.000 1.166 399 Y CA 2.255 60.088 58.100 -0.444 0.000 1.181 399 Y CB -1.469 36.430 38.460 -0.935 0.000 0.976 399 Y HN -0.143 nan 8.280 nan 0.000 0.520 400 T N 0.570 115.162 114.554 0.064 0.000 2.708 400 T HA -0.147 4.203 4.350 -0.000 0.000 0.266 400 T C 2.040 176.775 174.700 0.059 0.000 1.037 400 T CA 1.379 63.569 62.100 0.150 0.000 1.146 400 T CB -0.571 68.434 68.868 0.228 0.000 0.865 400 T HN 0.231 nan 8.240 nan 0.000 0.435 401 L N 0.460 121.696 121.223 0.022 0.000 2.042 401 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 401 L C 2.908 179.778 176.870 -0.000 0.000 1.076 401 L CA 1.070 55.946 54.840 0.060 0.000 0.749 401 L CB -0.777 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 -0.345 118.784 119.300 -0.284 0.000 2.425 402 C HA -0.151 4.309 4.460 -0.000 0.000 0.277 402 C C 2.447 177.450 174.990 0.022 0.000 1.280 402 C CA 0.389 59.252 59.018 -0.258 0.000 1.744 402 C CB -0.829 26.631 27.740 -0.468 0.000 1.989 402 C HN 0.546 nan 8.230 nan 0.000 0.491 403 D N 0.421 120.835 120.400 0.024 0.000 2.123 403 D HA -0.118 4.522 4.640 -0.000 0.000 0.196 403 D C 2.352 178.804 176.300 0.254 0.000 0.992 403 D CA 1.314 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 -0.851 119.706 120.500 0.093 0.000 2.075 404 R HA -0.020 4.320 4.340 -0.000 0.000 0.226 404 R C 2.319 178.531 176.300 -0.147 0.000 1.114 404 R CA 0.753 56.832 56.100 -0.036 0.000 0.972 404 R CB -0.333 29.856 30.300 -0.186 0.000 0.869 404 R HN 0.280 nan 8.270 nan 0.000 0.437 405 Y N -0.782 119.526 120.300 0.013 0.000 2.337 405 Y HA 0.129 4.679 4.550 -0.000 0.000 0.293 405 Y C 0.955 176.781 175.900 -0.123 0.000 1.123 405 Y CA 0.932 59.009 58.100 -0.039 0.000 1.201 405 Y CB 0.568 38.973 38.460 -0.092 0.000 1.011 405 Y HN 0.260 nan 8.280 nan 0.000 0.545 406 G N 1.044 109.864 108.800 0.033 0.000 2.943 406 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.250 406 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.250 406 G C -1.160 173.568 174.900 -0.286 0.000 0.996 406 G CA -0.630 44.349 45.100 -0.200 0.000 1.248 406 G HN 0.122 nan 8.290 nan 0.000 0.589 407 L N 0.957 122.080 121.223 -0.168 0.000 2.464 407 L HA 0.467 4.807 4.340 -0.000 0.000 0.266 407 L C -0.057 176.757 176.870 -0.093 0.000 0.965 407 L CA -1.221 53.477 54.840 -0.238 0.000 0.833 407 L CB 2.044 43.988 42.059 -0.192 0.000 1.296 407 L HN 0.437 nan 8.230 nan 0.000 0.405 408 Y N 2.065 122.463 120.300 0.164 0.000 2.359 408 Y HA 0.380 4.930 4.550 -0.000 0.000 0.330 408 Y C 0.308 176.306 175.900 0.164 0.000 1.143 408 Y CA -0.569 57.655 58.100 0.206 0.000 1.318 408 Y CB 1.270 39.844 38.460 0.190 0.000 1.234 408 Y HN 0.163 nan 8.280 nan 0.000 0.522 409 V N 3.726 123.806 119.914 0.278 0.000 2.735 409 V HA 0.385 4.505 4.120 -0.000 0.000 0.310 409 V C -0.737 175.423 176.094 0.110 0.000 1.061 409 V CA -1.046 61.358 62.300 0.174 0.000 0.913 409 V CB 2.106 33.989 31.823 0.099 0.000 1.005 409 V HN 0.454 nan 8.190 nan 0.000 0.428 410 V N 2.594 122.551 119.914 0.072 0.000 2.328 410 V HA 0.352 4.471 4.120 -0.000 0.000 0.278 410 V C -0.399 175.725 176.094 0.049 0.000 1.021 410 V CA -0.449 61.853 62.300 0.003 0.000 0.838 410 V CB 1.406 33.157 31.823 -0.120 0.000 0.999 410 V HN 0.869 nan 8.190 nan 0.000 0.447 411 D N 4.052 124.508 120.400 0.095 0.000 2.312 411 D HA 0.295 4.935 4.640 -0.000 0.000 0.252 411 D C -0.181 176.290 176.300 0.285 0.000 1.150 411 D CA 0.092 54.243 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 1.826 122.169 120.200 0.238 0.000 2.234 412 E HA 0.607 4.957 4.350 -0.000 0.000 0.266 412 E C -1.116 175.619 176.600 0.225 0.000 0.877 412 E CA -1.075 55.455 56.400 0.215 0.000 0.758 412 E CB 1.388 31.169 29.700 0.135 0.000 1.170 412 E HN 0.451 nan 8.360 nan 0.000 0.415 413 A N 3.731 126.679 122.820 0.214 0.000 2.445 413 A HA 0.071 4.391 4.320 -0.000 0.000 0.242 413 A C 0.351 178.057 177.584 0.203 0.000 1.075 413 A CA -0.271 51.875 52.037 0.181 0.000 0.777 413 A CB 0.179 19.253 19.000 0.124 0.000 1.013 413 A HN 0.685 nan 8.150 nan 0.000 0.493 414 N N 1.456 120.284 118.700 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 0.238 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 0.398 4.748 4.350 -0.000 0.000 0.272 416 E C -0.448 176.211 176.600 0.099 0.000 0.890 416 E CA -0.443 56.010 56.400 0.088 0.000 0.770 416 E CB 1.870 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 0.631 115.231 114.554 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 1.283 120.270 119.070 -0.138 0.000 2.330 418 H HA -0.150 4.406 4.556 -0.000 0.000 0.290 418 H C 2.320 177.514 175.328 -0.224 0.000 1.111 418 H CA 1.618 57.546 56.048 -0.201 0.000 1.226 418 H CB -0.267 29.339 29.762 -0.260 0.000 1.355 418 H HN 0.579 nan 8.280 nan 0.000 0.485 419 G N 0.250 108.902 108.800 -0.247 0.000 2.679 419 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.212 419 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.212 419 G C 0.623 175.614 174.900 0.151 0.000 1.137 419 G CA -0.017 44.968 45.100 -0.192 0.000 0.787 419 G HN 0.159 nan 8.290 nan 0.000 0.534 420 M N -0.038 119.692 119.600 0.217 0.000 2.113 420 M HA 0.340 4.820 4.480 -0.000 0.000 0.288 420 M C -0.300 176.032 176.300 0.053 0.000 1.225 420 M CA 0.096 55.484 55.300 0.146 0.000 1.148 420 M CB 1.022 33.662 32.600 0.067 0.000 1.388 420 M HN -0.163 nan 8.290 nan 0.000 0.469 421 V N 1.924 121.848 119.914 0.017 0.000 2.624 421 V HA 0.280 4.400 4.120 -0.000 0.000 0.294 421 V C -2.202 173.882 176.094 -0.018 0.000 1.077 421 V CA -1.291 61.006 62.300 -0.005 0.000 0.905 421 V CB 1.976 33.795 31.823 -0.008 0.000 1.025 421 V HN 0.734 nan 8.190 nan 0.000 0.440 422 P HA 0.266 nan 4.420 nan 0.000 0.274 422 P C 1.137 178.432 177.300 -0.009 0.000 1.246 422 P CA -0.524 62.568 63.100 -0.014 0.000 0.795 422 P CB 0.820 32.514 31.700 -0.011 0.000 1.006 423 M N 1.200 120.799 119.600 -0.001 0.000 2.192 423 M HA -0.257 4.222 4.480 -0.000 0.000 0.256 423 M C 1.118 177.425 176.300 0.012 0.000 1.076 423 M CA 2.247 57.552 55.300 0.009 0.000 1.075 423 M CB -0.377 32.219 32.600 -0.007 0.000 1.368 423 M HN 0.404 nan 8.290 nan 0.000 0.406 424 N N -0.223 118.483 118.700 0.012 0.000 2.268 424 N HA -0.062 4.678 4.740 -0.000 0.000 0.204 424 N C 1.154 176.625 175.510 -0.064 0.000 1.124 424 N CA 0.185 53.239 53.050 0.006 0.000 0.838 424 N CB -0.661 37.852 38.487 0.043 0.000 0.994 424 N HN 0.405 nan 8.380 nan 0.000 0.489 425 R N 0.641 121.093 120.500 -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 57.749 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 -0.805 120.226 121.223 -0.320 0.000 2.102 426 L HA -0.032 4.308 4.340 -0.000 0.000 0.202 426 L C 2.557 179.231 176.870 -0.326 0.000 1.076 426 L CA 1.391 55.897 54.840 -0.557 0.000 0.761 426 L CB -0.758 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 -3.699 110.706 114.554 -0.248 0.000 2.897 427 T HA -0.225 4.125 4.350 -0.000 0.000 0.271 427 T C 1.229 175.806 174.700 -0.206 0.000 1.084 427 T CA 1.484 63.425 62.100 -0.266 0.000 1.123 427 T CB -0.366 68.309 68.868 -0.321 0.000 0.865 427 T HN 0.116 nan 8.240 nan 0.000 0.496 428 D N 1.407 121.726 120.400 -0.135 0.000 2.358 428 D HA 0.154 4.794 4.640 -0.000 0.000 0.224 428 D C -0.546 175.721 176.300 -0.055 0.000 1.123 428 D CA -0.216 53.726 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 -0.614 119.769 120.400 -0.028 0.000 2.549 429 D HA 0.185 4.825 4.640 -0.000 0.000 0.251 429 D C -1.829 174.537 176.300 0.111 0.000 1.153 429 D CA -2.294 51.740 54.000 0.057 0.000 0.861 429 D CB 2.198 43.068 40.800 0.118 0.000 1.207 429 D HN -0.156 nan 8.370 nan 0.000 0.543 430 P HA -0.207 nan 4.420 nan 0.000 0.218 430 P C 1.165 178.473 177.300 0.013 0.000 1.154 430 P CA 1.262 64.372 63.100 0.016 0.000 0.872 430 P CB 0.316 32.015 31.700 -0.002 0.000 0.790 431 R N -1.824 118.691 120.500 0.025 0.000 2.139 431 R HA -0.157 4.183 4.340 -0.000 0.000 0.243 431 R C 1.916 178.079 176.300 -0.229 0.000 1.145 431 R CA 1.664 57.704 56.100 -0.101 0.000 0.976 431 R CB -0.860 29.362 30.300 -0.129 0.000 0.866 431 R HN 0.339 nan 8.270 nan 0.000 0.449 432 W N -0.577 120.662 121.300 -0.102 0.000 3.290 432 W HA 0.163 4.823 4.660 -0.000 0.000 0.287 432 W C 1.387 177.842 176.519 -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 2.915 124.182 121.223 0.073 0.000 1.963 433 L HA -0.165 4.175 4.340 -0.000 0.000 0.220 433 L C -0.499 176.344 176.870 -0.046 0.000 1.076 433 L CA 2.471 57.307 54.840 -0.006 0.000 0.772 433 L CB -1.982 40.058 42.059 -0.032 0.000 0.892 433 L HN -0.196 nan 8.230 nan 0.000 0.435 434 P HA -0.241 nan 4.420 nan 0.000 0.217 434 P C 1.605 178.854 177.300 -0.085 0.000 1.158 434 P CA 2.614 65.656 63.100 -0.097 0.000 0.887 434 P CB -0.402 31.233 31.700 -0.109 0.000 0.792 435 A N -0.515 122.268 122.820 -0.061 0.000 1.865 435 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 435 A C 2.342 179.932 177.584 0.010 0.000 1.191 435 A CA 2.571 54.602 52.037 -0.009 0.000 0.623 435 A CB -1.577 17.468 19.000 0.075 0.000 0.826 435 A HN 0.098 nan 8.150 nan 0.000 0.444 436 M N 0.364 119.980 119.600 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 1.974 57.263 55.300 -0.017 0.000 1.107 436 M CB -0.801 31.768 32.600 -0.051 0.000 1.356 436 M HN 0.595 nan 8.290 nan 0.000 0.406 437 S N 0.455 116.075 115.700 -0.133 0.000 2.359 437 S HA -0.184 4.285 4.470 -0.000 0.000 0.223 437 S C 1.661 176.105 174.600 -0.260 0.000 1.039 437 S CA 1.399 59.457 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 1.275 121.369 120.200 -0.178 0.000 2.097 438 E HA -0.169 4.181 4.350 -0.000 0.000 0.196 438 E C 2.348 178.867 176.600 -0.134 0.000 1.000 438 E CA 1.019 57.325 56.400 -0.156 0.000 0.804 438 E CB -0.240 29.402 29.700 -0.097 0.000 0.740 438 E HN 0.500 nan 8.360 nan 0.000 0.454 439 R N 0.140 120.588 120.500 -0.087 0.000 2.120 439 R HA -0.110 4.230 4.340 -0.000 0.000 0.234 439 R C 2.389 178.648 176.300 -0.068 0.000 1.123 439 R CA 0.998 57.074 56.100 -0.040 0.000 0.975 439 R CB -0.037 30.273 30.300 0.017 0.000 0.866 439 R HN 0.026 nan 8.270 nan 0.000 0.446 440 V N 0.038 119.866 119.914 -0.143 0.000 2.374 440 V HA -0.182 3.937 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 -0.400 31.317 31.823 -0.176 0.000 0.682 440 V HN 0.521 nan 8.190 nan 0.000 0.463 441 T N -0.166 114.115 114.554 -0.455 0.000 2.624 441 T HA -0.334 4.016 4.350 -0.000 0.000 0.268 441 T C 1.944 176.508 174.700 -0.227 0.000 1.041 441 T CA 1.896 63.658 62.100 -0.563 0.000 1.159 441 T CB -0.547 67.869 68.868 -0.754 0.000 0.863 441 T HN 0.387 nan 8.240 nan 0.000 0.434 442 R N 0.589 120.975 120.500 -0.190 0.000 2.091 442 R HA -0.004 4.336 4.340 -0.000 0.000 0.238 442 R C 2.738 178.975 176.300 -0.105 0.000 1.136 442 R CA 1.812 57.837 56.100 -0.125 0.000 0.959 442 R CB -0.579 29.656 30.300 -0.108 0.000 0.856 442 R HN 0.529 nan 8.270 nan 0.000 0.437 443 M N 0.785 120.332 119.600 -0.089 0.000 2.080 443 M HA -0.181 4.299 4.480 -0.000 0.000 0.260 443 M C 1.952 178.196 176.300 -0.092 0.000 1.068 443 M CA 1.750 57.026 55.300 -0.041 0.000 1.109 443 M CB -0.016 32.601 32.600 0.028 0.000 1.342 443 M HN -0.009 nan 8.290 nan 0.000 0.405 444 V N 1.553 121.325 119.914 -0.237 0.000 2.295 444 V HA -0.307 3.813 4.120 -0.000 0.000 0.246 444 V C 2.404 178.396 176.094 -0.169 0.000 1.049 444 V CA 2.309 64.362 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 2.170 445 Q HA -0.249 4.091 4.340 -0.000 0.000 0.203 445 Q C 2.349 178.282 176.000 -0.112 0.000 0.976 445 Q CA 1.633 57.387 55.803 -0.081 0.000 0.858 445 Q CB -0.353 28.365 28.738 -0.033 0.000 0.907 445 Q HN 0.597 nan 8.270 nan 0.000 0.433 446 R N 0.778 121.203 120.500 -0.126 0.000 2.062 446 R HA -0.094 4.246 4.340 -0.000 0.000 0.226 446 R C 0.754 176.976 176.300 -0.130 0.000 1.125 446 R CA 1.430 57.428 56.100 -0.169 0.000 0.966 446 R CB 0.319 30.515 30.300 -0.174 0.000 0.861 446 R HN 0.150 nan 8.270 nan 0.000 0.433 447 D N -0.016 120.370 120.400 -0.025 0.000 2.360 447 D HA -0.020 4.620 4.640 -0.000 0.000 0.210 447 D C 1.465 177.863 176.300 0.164 0.000 1.047 447 D CA 0.235 54.265 54.000 0.050 0.000 0.854 447 D CB 0.209 40.994 40.800 -0.025 0.000 0.936 447 D HN 0.348 nan 8.370 nan 0.000 0.514 448 R N 0.795 121.411 120.500 0.194 0.000 2.303 448 R HA -0.008 4.332 4.340 -0.000 0.000 0.225 448 R C 0.905 177.201 176.300 -0.007 0.000 1.114 448 R CA 1.066 57.294 56.100 0.214 0.000 1.007 448 R CB -0.413 29.978 30.300 0.152 0.000 0.861 448 R HN -0.036 nan 8.270 nan 0.000 0.471 449 N N 0.212 118.821 118.700 -0.151 0.000 2.280 449 N HA -0.014 4.726 4.740 -0.000 0.000 0.192 449 N C -0.527 174.840 175.510 -0.239 0.000 1.109 449 N CA 0.129 53.046 53.050 -0.222 0.000 0.855 449 N CB 0.154 38.453 38.487 -0.312 0.000 0.974 449 N HN 0.321 nan 8.380 nan 0.000 0.482 450 H N 1.571 120.553 119.070 -0.147 0.000 2.723 450 H HA 0.115 4.670 4.556 -0.000 0.000 0.294 450 H C -1.200 173.963 175.328 -0.275 0.000 1.079 450 H CA -1.329 54.616 56.048 -0.173 0.000 1.411 450 H CB 1.631 31.325 29.762 -0.112 0.000 1.439 450 H HN 0.016 nan 8.280 nan 0.000 0.474 451 P HA -0.177 nan 4.420 nan 0.000 0.217 451 P C 1.432 178.312 177.300 -0.700 0.000 1.148 451 P CA 1.325 64.078 63.100 -0.579 0.000 0.828 451 P CB 0.204 31.297 31.700 -1.011 0.000 0.783 452 S N -1.312 114.051 115.700 -0.563 0.000 2.442 452 S HA -0.036 4.434 4.470 -0.000 0.000 0.236 452 S C 1.050 175.613 174.600 -0.061 0.000 1.007 452 S CA 0.307 58.349 58.200 -0.264 0.000 0.965 452 S CB -1.405 61.757 63.200 -0.063 0.000 0.773 452 S HN -0.054 nan 8.310 nan 0.000 0.504 453 V N 3.561 123.402 119.914 -0.123 0.000 2.470 453 V HA 0.263 4.383 4.120 -0.000 0.000 0.276 453 V C 1.021 176.971 176.094 -0.239 0.000 1.040 453 V CA -0.077 62.117 62.300 -0.175 0.000 1.008 453 V CB 0.623 32.240 31.823 -0.342 0.000 0.990 453 V HN 0.625 nan 8.190 nan 0.000 0.477 454 I N 2.538 123.010 120.570 -0.164 0.000 4.327 454 I HA 0.525 4.695 4.170 -0.000 0.000 0.331 454 I C 0.201 176.195 176.117 -0.204 0.000 1.348 454 I CA 0.339 61.550 61.300 -0.148 0.000 1.152 454 I CB 0.519 38.512 38.000 -0.012 0.000 1.151 454 I HN 0.319 nan 8.210 nan 0.000 0.410 455 I N 0.491 120.905 120.570 -0.259 0.000 2.692 455 I HA 0.336 4.506 4.170 -0.000 0.000 0.293 455 I C -1.598 174.412 176.117 -0.178 0.000 1.200 455 I CA -0.397 60.799 61.300 -0.172 0.000 1.036 455 I CB 2.046 40.042 38.000 -0.007 0.000 1.258 455 I HN 0.038 nan 8.210 nan 0.000 0.421 456 W N 3.863 125.207 121.300 0.074 0.000 2.449 456 W HA 0.616 5.275 4.660 -0.000 0.000 0.331 456 W C 0.442 177.022 176.519 0.102 0.000 1.119 456 W CA -0.628 56.767 57.345 0.083 0.000 1.240 456 W CB 1.653 31.154 29.460 0.069 0.000 1.251 456 W HN 0.364 nan 8.180 nan 0.000 0.576 457 S N 2.797 118.727 115.700 0.383 0.000 2.557 457 S HA 0.397 4.867 4.470 -0.000 0.000 0.291 457 S C -0.090 174.676 174.600 0.276 0.000 1.116 457 S CA -0.756 57.617 58.200 0.288 0.000 0.992 457 S CB 0.790 64.114 63.200 0.207 0.000 1.028 457 S HN 0.568 nan 8.310 nan 0.000 0.484 458 L N 4.184 125.566 121.223 0.266 0.000 2.645 458 L HA 0.387 4.727 4.340 -0.000 0.000 0.235 458 L C 1.411 178.375 176.870 0.156 0.000 1.150 458 L CA 0.381 55.315 54.840 0.155 0.000 0.911 458 L CB -1.450 40.614 42.059 0.009 0.000 1.077 458 L HN 1.039 nan 8.230 nan 0.000 0.438 459 G N 0.128 109.081 108.800 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 -1.486 173.583 174.900 0.280 0.000 1.267 459 G CA -0.550 44.696 45.100 0.242 0.000 1.127 459 G HN 0.233 nan 8.290 nan 0.000 0.498 460 N N 0.331 119.145 118.700 0.189 0.000 2.598 460 N HA 0.451 5.191 4.740 -0.000 0.000 0.263 460 N C -0.460 175.005 175.510 -0.075 0.000 1.254 460 N CA 0.142 53.164 53.050 -0.047 0.000 0.863 460 N CB 1.390 39.572 38.487 -0.509 0.000 1.586 460 N HN 0.952 nan 8.380 nan 0.000 0.491 461 E N 0.273 120.322 120.200 -0.252 0.000 1.867 461 E HA -0.203 4.147 4.350 -0.000 0.000 0.164 461 E C -0.784 175.712 176.600 -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 0.166 115.915 115.700 0.082 0.000 2.941 462 S HA 0.398 4.868 4.470 -0.000 0.000 0.251 462 S C 0.724 175.481 174.600 0.261 0.000 1.029 462 S CA -0.122 58.181 58.200 0.172 0.000 1.062 462 S CB 1.363 64.715 63.200 0.255 0.000 0.977 462 S HN 0.892 nan 8.310 nan 0.000 0.552 463 G N 1.981 110.880 108.800 0.165 0.000 2.575 463 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.267 463 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.267 463 G C -0.515 174.600 174.900 0.357 0.000 1.264 463 G CA -0.003 45.201 45.100 0.173 0.000 0.935 463 G HN 0.625 nan 8.290 nan 0.000 0.568 464 H N 0.434 119.629 119.070 0.209 0.000 2.840 464 H HA 0.577 5.133 4.556 -0.000 0.000 0.340 464 H C 0.114 175.619 175.328 0.295 0.000 1.004 464 H CA 0.060 56.259 56.048 0.252 0.000 1.288 464 H CB 1.021 30.859 29.762 0.126 0.000 1.607 464 H HN 1.263 nan 8.280 nan 0.000 0.522 465 G N 1.383 110.187 108.800 0.008 0.000 2.642 465 G HA2 0.453 4.413 3.960 -0.000 0.000 0.293 465 G HA3 0.453 4.413 3.960 -0.000 0.000 0.293 465 G C 0.494 175.222 174.900 -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 0.604 123.302 122.820 -0.203 0.000 1.986 466 A HA -0.148 4.172 4.320 -0.000 0.000 0.220 466 A C 2.187 179.726 177.584 -0.075 0.000 1.171 466 A CA 2.206 54.178 52.037 -0.108 0.000 0.640 466 A CB -0.523 18.441 19.000 -0.060 0.000 0.811 466 A HN 0.566 nan 8.150 nan 0.000 0.451 467 N N -0.346 118.269 118.700 -0.141 0.000 2.137 467 N HA -0.181 4.558 4.740 -0.000 0.000 0.190 467 N C 1.416 176.851 175.510 -0.126 0.000 1.017 467 N CA 1.885 54.842 53.050 -0.154 0.000 0.859 467 N CB -0.724 37.636 38.487 -0.212 0.000 1.002 467 N HN 0.812 nan 8.380 nan 0.000 0.428 468 H N 0.396 119.408 119.070 -0.097 0.000 2.293 468 H HA -0.044 4.512 4.556 -0.000 0.000 0.300 468 H C 1.366 176.734 175.328 0.065 0.000 1.082 468 H CA 1.354 57.359 56.048 -0.071 0.000 1.308 468 H CB 0.066 29.772 29.762 -0.093 0.000 1.375 468 H HN 0.177 nan 8.280 nan 0.000 0.495 469 D N 0.518 121.051 120.400 0.222 0.000 2.116 469 D HA -0.192 4.447 4.640 -0.000 0.000 0.193 469 D C 2.313 178.755 176.300 0.235 0.000 0.998 469 D CA 1.344 55.475 54.000 0.220 0.000 0.836 469 D CB -0.564 40.333 40.800 0.161 0.000 0.951 469 D HN 0.445 nan 8.370 nan 0.000 0.449 470 A N 0.799 123.708 122.820 0.147 0.000 1.908 470 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 470 A C 2.465 180.154 177.584 0.175 0.000 1.181 470 A CA 1.041 53.160 52.037 0.137 0.000 0.627 470 A CB -0.772 18.267 19.000 0.065 0.000 0.818 470 A HN 0.215 nan 8.150 nan 0.000 0.445 471 L N -2.169 119.141 121.223 0.145 0.000 2.056 471 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 471 L C 2.600 179.611 176.870 0.234 0.000 1.078 471 L CA 1.739 56.665 54.840 0.144 0.000 0.749 471 L CB -0.807 41.274 42.059 0.037 0.000 0.901 471 L HN 0.611 nan 8.230 nan 0.000 0.433 472 Y N 0.950 121.329 120.300 0.131 0.000 2.081 472 Y HA -0.315 4.234 4.550 -0.000 0.000 0.280 472 Y C 2.919 178.897 175.900 0.131 0.000 1.163 472 Y CA 1.628 59.809 58.100 0.135 0.000 1.135 472 Y CB -0.233 38.307 38.460 0.134 0.000 0.970 472 Y HN -0.056 nan 8.280 nan 0.000 0.498 473 R N 0.010 120.641 120.500 0.218 0.000 2.083 473 R HA -0.250 4.089 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 58.165 56.100 0.082 0.000 0.951 473 R CB -1.697 28.725 30.300 0.203 0.000 0.851 473 R HN 0.687 nan 8.270 nan 0.000 0.434 474 W N 1.308 122.566 121.300 -0.071 0.000 2.318 474 W HA -0.209 4.451 4.660 -0.000 0.000 0.313 474 W C 1.942 178.367 176.519 -0.157 0.000 1.221 474 W CA 1.948 59.236 57.345 -0.095 0.000 1.266 474 W CB -0.420 28.988 29.460 -0.087 0.000 1.150 474 W HN 0.023 nan 8.180 nan 0.000 0.496 475 I N 0.612 121.173 120.570 -0.015 0.000 2.142 475 I HA -0.351 3.819 4.170 -0.000 0.000 0.240 475 I C 2.467 178.353 176.117 -0.387 0.000 1.078 475 I CA 1.430 62.552 61.300 -0.297 0.000 1.343 475 I CB -1.015 36.879 38.000 -0.177 0.000 1.046 475 I HN -0.092 nan 8.210 nan 0.000 0.405 476 K N 1.183 121.381 120.400 -0.337 0.000 2.089 476 K HA -0.172 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 1.888 58.001 56.287 -0.290 0.000 0.926 476 K CB -0.666 31.642 32.500 -0.319 0.000 0.714 476 K HN 0.374 nan 8.250 nan 0.000 0.448 477 S N 0.313 115.827 115.700 -0.309 0.000 2.395 477 S HA -0.035 4.434 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 58.831 58.200 -0.297 0.000 0.965 477 S CB -0.131 62.905 63.200 -0.273 0.000 0.812 477 S HN -0.006 nan 8.310 nan 0.000 0.482 478 V N 1.381 120.926 119.914 -0.616 0.000 2.535 478 V HA 0.061 4.181 4.120 -0.000 0.000 0.246 478 V C 0.385 176.235 176.094 -0.407 0.000 1.045 478 V CA 1.237 63.154 62.300 -0.637 0.000 1.058 478 V CB -0.235 30.890 31.823 -1.162 0.000 0.689 478 V HN 0.392 nan 8.190 nan 0.000 0.461 479 D N -0.715 119.486 120.400 -0.332 0.000 2.358 479 D HA 0.273 4.912 4.640 -0.000 0.000 0.253 479 D C -2.271 174.005 176.300 -0.040 0.000 1.288 479 D CA -1.767 52.155 54.000 -0.130 0.000 0.950 479 D CB 1.978 42.785 40.800 0.011 0.000 1.197 479 D HN 0.078 nan 8.370 nan 0.000 0.550 480 P HA 0.026 nan 4.420 nan 0.000 0.255 480 P C 1.077 178.393 177.300 0.027 0.000 1.248 480 P CA 0.229 63.317 63.100 -0.020 0.000 0.807 480 P CB 0.311 31.989 31.700 -0.036 0.000 1.150 481 S N -0.506 115.222 115.700 0.047 0.000 2.489 481 S HA 0.029 4.499 4.470 -0.000 0.000 0.228 481 S C 0.908 175.538 174.600 0.051 0.000 0.995 481 S CA -0.041 58.191 58.200 0.054 0.000 0.934 481 S CB -0.398 62.828 63.200 0.044 0.000 0.771 481 S HN 0.106 nan 8.310 nan 0.000 0.522 482 R N 0.953 121.501 120.500 0.081 0.000 2.744 482 R HA 0.635 4.975 4.340 -0.000 0.000 0.279 482 R C -3.221 173.142 176.300 0.106 0.000 0.977 482 R CA -2.408 53.711 56.100 0.032 0.000 0.906 482 R CB 1.062 31.264 30.300 -0.162 0.000 1.197 482 R HN 0.127 nan 8.270 nan 0.000 0.463 483 P HA 0.197 nan 4.420 nan 0.000 0.276 483 P C -0.795 176.607 177.300 0.171 0.000 1.252 483 P CA -0.530 62.633 63.100 0.106 0.000 0.802 483 P CB 0.783 32.529 31.700 0.078 0.000 1.035 484 V N 1.854 121.892 119.914 0.205 0.000 2.540 484 V HA 0.411 4.530 4.120 -0.000 0.000 0.302 484 V C 0.138 176.409 176.094 0.296 0.000 1.035 484 V CA -0.416 62.050 62.300 0.278 0.000 0.873 484 V CB 1.335 33.301 31.823 0.239 0.000 0.992 484 V HN 0.631 nan 8.190 nan 0.000 0.428 485 Q N 3.674 123.630 119.800 0.260 0.000 2.433 485 Q HA 0.822 5.162 4.340 -0.000 0.000 0.279 485 Q C -1.754 174.405 176.000 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 0.189 120.507 120.300 0.030 0.000 2.376 486 Y HA 0.154 4.704 4.550 -0.000 0.000 0.321 486 Y C -0.373 175.477 175.900 -0.084 0.000 1.189 486 Y CA -0.643 57.443 58.100 -0.023 0.000 1.069 486 Y CB 2.097 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 3.597 123.337 120.200 -0.766 0.000 2.250 487 E HA 0.115 4.465 4.350 -0.000 0.000 0.192 487 E C 0.734 176.874 176.600 -0.766 0.000 0.986 487 E CA 0.766 56.801 56.400 -0.608 0.000 0.849 487 E CB 0.177 29.638 29.700 -0.398 0.000 0.797 487 E HN 0.909 nan 8.360 nan 0.000 0.482 488 G N 0.064 107.965 108.800 -1.498 0.000 2.464 488 G HA2 0.157 4.117 3.960 -0.000 0.000 0.231 488 G HA3 0.157 4.117 3.960 -0.000 0.000 0.231 488 G C 0.807 175.543 174.900 -0.275 0.000 1.267 488 G CA 0.398 45.025 45.100 -0.788 0.000 0.863 488 G HN 0.389 nan 8.290 nan 0.000 0.559 489 G N -0.246 108.496 108.800 -0.096 0.000 2.198 489 G HA2 0.230 4.190 3.960 -0.000 0.000 0.260 489 G HA3 0.230 4.190 3.960 -0.000 0.000 0.260 489 G C 1.290 176.175 174.900 -0.026 0.000 1.025 489 G CA 0.999 46.103 45.100 0.006 0.000 0.769 489 G HN 2.638 nan 8.290 nan 0.000 0.507 490 G N -1.714 107.067 108.800 -0.031 0.000 2.229 490 G HA2 0.420 4.380 3.960 -0.000 0.000 0.189 490 G HA3 0.420 4.380 3.960 -0.000 0.000 0.189 490 G C 1.089 176.080 174.900 0.152 0.000 1.000 490 G CA 1.330 46.469 45.100 0.066 0.000 0.663 490 G HN 2.340 nan 8.290 nan 0.000 0.493 491 A N -0.155 122.650 122.820 -0.025 0.000 3.413 491 A HA -0.113 4.207 4.320 -0.000 0.000 0.268 491 A C 1.092 178.623 177.584 -0.088 0.000 1.128 491 A CA 2.664 54.639 52.037 -0.103 0.000 1.062 491 A CB -1.811 17.099 19.000 -0.151 0.000 1.121 491 A HN 2.111 nan 8.150 nan 0.000 0.895 492 D N -1.095 119.320 120.400 0.025 0.000 2.692 492 D HA 0.301 4.941 4.640 -0.000 0.000 0.290 492 D C 0.433 176.722 176.300 -0.019 0.000 1.455 492 D CA 0.840 54.862 54.000 0.036 0.000 0.796 492 D CB -1.153 39.798 40.800 0.253 0.000 1.131 492 D HN 0.846 nan 8.370 nan 0.000 0.467 493 T N -2.452 112.027 114.554 -0.126 0.000 2.698 493 T HA 0.146 4.496 4.350 -0.000 0.000 0.295 493 T C 1.614 176.183 174.700 -0.219 0.000 1.007 493 T CA 0.580 62.533 62.100 -0.245 0.000 0.980 493 T CB 1.032 69.541 68.868 -0.598 0.000 1.036 493 T HN 0.078 nan 8.240 nan 0.000 0.526 494 T N -2.142 112.270 114.554 -0.236 0.000 3.113 494 T HA 0.128 4.477 4.350 -0.000 0.000 0.263 494 T C 1.647 176.100 174.700 -0.412 0.000 1.143 494 T CA 0.599 62.574 62.100 -0.209 0.000 1.090 494 T CB -0.770 68.045 68.868 -0.088 0.000 0.922 494 T HN 0.836 nan 8.240 nan 0.000 0.521 495 A N 0.140 122.750 122.820 -0.349 0.000 2.337 495 A HA 0.465 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 -0.027 51.758 52.037 -0.420 0.000 0.870 495 A CB -0.110 18.900 19.000 0.017 0.000 0.927 495 A HN 0.492 nan 8.150 nan 0.000 0.497 496 T N -1.533 112.883 114.554 -0.231 0.000 2.912 496 T HA 0.386 4.736 4.350 -0.000 0.000 0.299 496 T C -0.560 174.169 174.700 0.050 0.000 1.052 496 T CA -0.465 61.642 62.100 0.012 0.000 0.996 496 T CB 1.320 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 2.616 123.123 120.400 0.178 0.000 2.349 497 D HA 0.305 4.945 4.640 -0.000 0.000 0.215 497 D C 0.255 176.592 176.300 0.060 0.000 1.016 497 D CA 0.661 54.750 54.000 0.148 0.000 0.870 497 D CB 0.398 41.311 40.800 0.189 0.000 0.917 497 D HN 0.511 nan 8.370 nan 0.000 0.524 498 I N 0.473 121.059 120.570 0.027 0.000 2.769 498 I HA 0.253 4.423 4.170 -0.000 0.000 0.298 498 I C -0.429 175.630 176.117 -0.097 0.000 1.128 498 I CA -0.955 60.326 61.300 -0.032 0.000 1.031 498 I CB 2.997 40.985 38.000 -0.019 0.000 1.235 498 I HN -0.347 nan 8.210 nan 0.000 0.423 499 I N 4.904 125.372 120.570 -0.171 0.000 2.363 499 I HA 0.124 4.294 4.170 -0.000 0.000 0.292 499 I C -0.057 175.868 176.117 -0.320 0.000 1.075 499 I CA -0.165 60.947 61.300 -0.313 0.000 1.333 499 I CB 0.050 37.769 38.000 -0.468 0.000 1.415 499 I HN 0.599 nan 8.210 nan 0.000 0.502 500 C N 5.418 124.549 119.300 -0.281 0.000 3.273 500 C HA 0.503 4.963 4.460 -0.000 0.000 0.227 500 C C -2.191 172.666 174.990 -0.222 0.000 1.409 500 C CA -2.267 56.627 59.018 -0.208 0.000 1.516 500 C CB -0.890 26.784 27.740 -0.111 0.000 1.853 500 C HN 0.408 nan 8.230 nan 0.000 0.472 501 P HA 0.439 nan 4.420 nan 0.000 0.275 501 P C -0.514 176.719 177.300 -0.112 0.000 1.266 501 P CA -0.030 62.958 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 -0.890 118.673 119.600 -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 -0.632 54.546 55.300 -0.203 0.000 0.925 502 M CB 1.651 34.086 32.600 -0.275 0.000 1.577 502 M HN 0.353 nan 8.290 nan 0.000 0.439 503 Y N -0.325 120.124 120.300 0.249 0.000 4.729 503 Y HA -0.197 4.353 4.550 -0.000 0.000 0.239 503 Y C 0.489 176.543 175.900 0.256 0.000 1.043 503 Y CA 0.414 58.663 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 1.094 124.121 122.820 0.345 0.000 2.425 504 A HA 0.615 4.935 4.320 -0.000 0.000 0.249 504 A C 0.671 178.453 177.584 0.330 0.000 1.084 504 A CA -0.376 51.865 52.037 0.339 0.000 0.781 504 A CB 0.412 19.637 19.000 0.376 0.000 1.019 504 A HN 0.409 nan 8.150 nan 0.000 0.490 505 R N 1.132 121.762 120.500 0.216 0.000 2.543 505 R HA 0.359 4.698 4.340 -0.000 0.000 0.268 505 R C 1.097 177.364 176.300 -0.054 0.000 1.067 505 R CA -0.684 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 0.672 120.407 119.914 -0.298 0.000 2.270 506 V HA -0.212 3.908 4.120 -0.000 0.000 0.245 506 V C 0.868 176.845 176.094 -0.195 0.000 1.043 506 V CA 1.899 63.972 62.300 -0.377 0.000 1.014 506 V CB -0.227 31.264 31.823 -0.553 0.000 0.645 506 V HN 0.768 nan 8.190 nan 0.000 0.447 507 D N -1.424 118.896 120.400 -0.134 0.000 2.474 507 D HA 0.123 4.763 4.640 -0.000 0.000 0.213 507 D C 0.748 177.029 176.300 -0.031 0.000 1.120 507 D CA 0.050 54.004 54.000 -0.077 0.000 0.836 507 D CB 0.948 41.708 40.800 -0.068 0.000 1.019 507 D HN 0.552 nan 8.370 nan 0.000 0.507 508 E N 1.602 121.791 120.200 -0.019 0.000 2.179 508 E HA 0.197 4.547 4.350 -0.000 0.000 0.275 508 E C -1.036 175.568 176.600 0.007 0.000 0.945 508 E CA -0.621 55.776 56.400 -0.005 0.000 0.792 508 E CB 1.462 31.159 29.700 -0.006 0.000 1.125 508 E HN -0.278 nan 8.360 nan 0.000 0.397 509 D N 3.234 123.635 120.400 0.002 0.000 2.225 509 D HA 0.184 4.823 4.640 -0.000 0.000 0.249 509 D C -0.754 175.448 176.300 -0.164 0.000 1.052 509 D CA -0.027 53.965 54.000 -0.012 0.000 0.909 509 D CB 1.411 42.263 40.800 0.087 0.000 1.186 509 D HN 0.382 nan 8.370 nan 0.000 0.431 510 Q N 1.557 121.148 119.800 -0.347 0.000 2.616 510 Q HA 0.287 4.627 4.340 -0.000 0.000 0.250 510 Q C -2.342 173.004 176.000 -1.090 0.000 0.991 510 Q CA -1.644 53.746 55.803 -0.688 0.000 0.707 510 Q CB 2.452 30.803 28.738 -0.645 0.000 1.247 510 Q HN 0.119 nan 8.270 nan 0.000 0.491 511 P HA 0.066 nan 4.420 nan 0.000 0.220 511 P C -0.853 176.092 177.300 -0.592 0.000 1.806 511 P CA -0.135 62.540 63.100 -0.709 0.000 0.976 511 P CB -0.530 30.956 31.700 -0.357 0.000 1.952 512 F N 2.435 122.233 119.950 -0.254 0.000 2.459 512 F HA 0.262 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 -2.629 55.269 58.000 -0.171 0.000 1.268 512 F CB -0.452 38.464 39.000 -0.140 0.000 1.161 512 F HN 0.054 nan 8.300 nan 0.000 0.583 513 P HA 0.033 nan 4.420 nan 0.000 0.266 513 P C 0.387 177.702 177.300 0.025 0.000 1.195 513 P CA 0.969 64.084 63.100 0.025 0.000 0.768 513 P CB 1.012 32.728 31.700 0.028 0.000 0.838 514 A N 2.837 125.657 122.820 0.000 0.000 3.292 514 A HA -0.258 4.062 4.320 -0.000 0.000 0.241 514 A C 0.714 178.293 177.584 -0.009 0.000 0.569 514 A CA 2.177 54.216 52.037 0.003 0.000 1.149 514 A CB -2.677 16.329 19.000 0.010 0.000 1.321 514 A HN 0.752 nan 8.150 nan 0.000 0.679 515 V N -3.561 116.350 119.914 -0.005 0.000 2.546 515 V HA 0.575 4.695 4.120 -0.000 0.000 0.260 515 V C -2.668 173.429 176.094 0.004 0.000 0.933 515 V CA -1.250 61.043 62.300 -0.011 0.000 0.994 515 V CB 0.901 32.726 31.823 0.005 0.000 1.160 515 V HN 0.439 nan 8.190 nan 0.000 0.523 516 P HA 0.346 nan 4.420 nan 0.000 0.274 516 P C -0.729 176.125 177.300 -0.744 0.000 1.231 516 P CA 0.050 62.795 63.100 -0.592 0.000 0.790 516 P CB 0.968 31.919 31.700 -1.248 0.000 0.951 517 K N 2.133 122.149 120.400 -0.640 0.000 2.464 517 K HA 0.243 4.563 4.320 -0.000 0.000 0.252 517 K C -0.482 175.839 176.600 -0.464 0.000 1.000 517 K CA -0.286 55.789 56.287 -0.355 0.000 0.951 517 K CB 0.635 33.223 32.500 0.147 0.000 1.183 517 K HN 0.476 nan 8.250 nan 0.000 0.445 518 W N 1.560 122.586 121.300 -0.456 0.000 2.126 518 W HA 0.046 4.706 4.660 -0.000 0.000 0.346 518 W C 1.332 177.869 176.519 0.030 0.000 1.279 518 W CA -0.653 56.514 57.345 -0.297 0.000 1.259 518 W CB 0.517 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 1.133 175.877 174.600 0.239 0.000 1.318 519 S CA -0.228 58.072 58.200 0.167 0.000 1.056 519 S CB 0.258 63.491 63.200 0.054 0.000 0.853 519 S HN 0.549 nan 8.310 nan 0.000 0.505 520 I N 1.431 122.100 120.570 0.165 0.000 2.361 520 I HA -0.176 3.994 4.170 -0.000 0.000 0.251 520 I C 1.868 178.007 176.117 0.036 0.000 1.133 520 I CA 1.228 62.624 61.300 0.160 0.000 1.413 520 I CB -0.573 37.461 38.000 0.056 0.000 1.073 520 I HN 0.653 nan 8.210 nan 0.000 0.424 521 K N 1.944 122.274 120.400 -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 -0.230 0.000 0.942 521 K CB -0.284 31.985 32.500 -0.386 0.000 0.724 521 K HN 0.437 nan 8.250 nan 0.000 0.446 522 K N 0.678 121.087 120.400 0.015 0.000 2.062 522 K HA -0.144 4.176 4.320 -0.000 0.000 0.205 522 K C 1.931 178.539 176.600 0.013 0.000 1.051 522 K CA 0.642 56.918 56.287 -0.018 0.000 0.941 522 K CB -0.090 32.364 32.500 -0.076 0.000 0.719 522 K HN 0.172 nan 8.250 nan 0.000 0.440 523 W N 2.083 123.344 121.300 -0.064 0.000 2.321 523 W HA -0.232 4.428 4.660 -0.000 0.000 0.306 523 W C 1.559 178.042 176.519 -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 28.878 29.460 0.129 0.000 1.145 523 W HN 0.137 nan 8.180 nan 0.000 0.509 524 L N 0.792 122.162 121.223 0.245 0.000 2.081 524 L HA -0.274 4.066 4.340 -0.000 0.000 0.212 524 L C 2.540 179.466 176.870 0.093 0.000 1.080 524 L CA 2.089 57.008 54.840 0.131 0.000 0.754 524 L CB -1.013 41.104 42.059 0.097 0.000 0.893 524 L HN 0.026 nan 8.230 nan 0.000 0.433 525 S N -1.036 114.698 115.700 0.056 0.000 2.593 525 S HA 0.131 4.601 4.470 -0.000 0.000 0.217 525 S C 0.745 175.320 174.600 -0.041 0.000 0.966 525 S CA -0.462 57.743 58.200 0.008 0.000 0.914 525 S CB -0.480 62.720 63.200 -0.001 0.000 0.776 525 S HN 0.199 nan 8.310 nan 0.000 0.523 526 L N 2.191 123.378 121.223 -0.060 0.000 2.506 526 L HA 0.243 4.583 4.340 -0.000 0.000 0.281 526 L C -2.213 174.624 176.870 -0.055 0.000 1.228 526 L CA -1.720 53.047 54.840 -0.122 0.000 0.850 526 L CB -0.437 41.515 42.059 -0.178 0.000 1.110 526 L HN 0.045 nan 8.230 nan 0.000 0.496 527 P HA 0.002 nan 4.420 nan 0.000 0.260 527 P C 0.835 178.125 177.300 -0.015 0.000 1.185 527 P CA 0.989 64.065 63.100 -0.040 0.000 0.763 527 P CB 0.696 32.367 31.700 -0.048 0.000 0.776 528 G N 2.043 110.841 108.800 -0.003 0.000 2.253 528 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.251 528 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.251 528 G C 0.314 175.227 174.900 0.023 0.000 0.998 528 G CA 0.135 45.241 45.100 0.010 0.000 0.621 528 G HN 0.627 nan 8.290 nan 0.000 0.524 529 E N 1.209 121.429 120.200 0.032 0.000 2.392 529 E HA 0.543 4.893 4.350 -0.000 0.000 0.264 529 E C 1.406 178.029 176.600 0.037 0.000 1.024 529 E CA 0.992 57.424 56.400 0.053 0.000 0.903 529 E CB 0.783 30.544 29.700 0.101 0.000 0.963 529 E HN 0.669 nan 8.360 nan 0.000 0.432 530 T N 0.526 115.099 114.554 0.030 0.000 3.092 530 T HA 0.302 4.651 4.350 -0.000 0.000 0.273 530 T C 0.579 175.286 174.700 0.011 0.000 0.898 530 T CA -0.453 61.659 62.100 0.020 0.000 0.868 530 T CB 0.042 68.922 68.868 0.019 0.000 1.228 530 T HN 0.276 nan 8.240 nan 0.000 0.555 531 R N 2.167 122.669 120.500 0.004 0.000 2.707 531 R HA 0.467 4.806 4.340 -0.000 0.000 0.270 531 R C -2.562 173.716 176.300 -0.036 0.000 1.083 531 R CA -1.572 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 0.133 nan 4.420 nan 0.000 0.279 532 P C -1.340 175.890 177.300 -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 32.312 31.700 -0.068 0.000 1.035 533 L N 1.927 123.062 121.223 -0.146 0.000 2.356 533 L HA 0.656 4.995 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 -0.292 54.425 54.840 -0.206 0.000 0.822 533 L CB 0.853 42.753 42.059 -0.265 0.000 1.256 533 L HN 0.221 nan 8.230 nan 0.000 0.413 534 I N 5.458 125.895 120.570 -0.223 0.000 2.512 534 I HA 0.311 4.481 4.170 -0.000 0.000 0.287 534 I C -0.968 175.049 176.117 -0.166 0.000 1.069 534 I CA -0.639 60.520 61.300 -0.236 0.000 1.056 534 I CB 2.070 39.983 38.000 -0.146 0.000 1.229 534 I HN 0.546 nan 8.210 nan 0.000 0.429 535 L N 5.475 126.570 121.223 -0.214 0.000 2.360 535 L HA 0.122 4.462 4.340 -0.000 0.000 0.276 535 L C 1.422 178.355 176.870 0.105 0.000 1.121 535 L CA -0.263 54.514 54.840 -0.106 0.000 0.845 535 L CB 0.860 42.822 42.059 -0.161 0.000 1.143 535 L HN 0.868 nan 8.230 nan 0.000 0.452 536 C N 0.342 119.690 119.300 0.079 0.000 2.446 536 C HA 0.113 4.573 4.460 -0.000 0.000 0.279 536 C C 0.620 175.742 174.990 0.221 0.000 1.366 536 C CA -0.092 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 -1.379 175.141 176.600 -0.134 0.000 0.910 537 E CA -0.358 56.073 56.400 0.052 0.000 0.770 537 E CB 1.919 31.474 29.700 -0.241 0.000 1.225 537 E HN 0.689 nan 8.360 nan 0.000 0.417 538 Y N -0.823 119.442 120.300 -0.058 0.000 2.677 538 Y HA 0.607 5.156 4.550 -0.000 0.000 0.334 538 Y C -0.806 175.261 175.900 0.279 0.000 1.196 538 Y CA -0.756 57.345 58.100 0.002 0.000 1.059 538 Y CB 0.992 39.361 38.460 -0.152 0.000 1.315 538 Y HN 0.679 nan 8.280 nan 0.000 0.455 539 A N 2.147 125.033 122.820 0.111 0.000 2.360 539 A HA -0.264 4.056 4.320 -0.000 0.000 0.289 539 A C -0.325 177.391 177.584 0.219 0.000 1.437 539 A CA 1.001 53.081 52.037 0.072 0.000 0.734 539 A CB -2.530 16.344 19.000 -0.209 0.000 1.145 539 A HN 1.137 nan 8.150 nan 0.000 0.374 540 H N 0.583 119.825 119.070 0.287 0.000 3.248 540 H HA 0.174 4.730 4.556 -0.000 0.000 0.258 540 H C 1.242 176.652 175.328 0.137 0.000 0.923 540 H CA 0.811 57.044 56.048 0.308 0.000 1.416 540 H CB 0.335 30.174 29.762 0.128 0.000 1.523 540 H HN 0.861 nan 8.280 nan 0.000 0.528 541 A N 6.451 129.192 122.820 -0.132 0.000 2.543 541 A HA 0.034 4.354 4.320 -0.000 0.000 0.258 541 A C 0.966 178.399 177.584 -0.252 0.000 1.391 541 A CA -0.345 51.577 52.037 -0.192 0.000 1.066 541 A CB -0.573 18.301 19.000 -0.211 0.000 0.972 541 A HN 0.794 nan 8.150 nan 0.000 0.560 542 M N 1.526 120.952 119.600 -0.289 0.000 2.341 542 M HA 0.403 4.883 4.480 -0.000 0.000 0.336 542 M C 1.046 177.182 176.300 -0.273 0.000 1.489 542 M CA 1.269 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 0.802 nan 8.290 nan 0.000 0.455 543 G N 4.309 112.936 108.800 -0.288 0.000 2.527 543 G HA2 -0.335 3.624 3.960 -0.000 0.000 0.268 543 G HA3 -0.335 3.624 3.960 -0.000 0.000 0.268 543 G C -0.149 174.282 174.900 -0.782 0.000 1.175 543 G CA 0.021 44.792 45.100 -0.548 0.000 0.962 543 G HN 0.793 nan 8.290 nan 0.000 0.560 544 N N 1.524 119.581 118.700 -1.072 0.000 2.549 544 N HA 0.491 5.231 4.740 -0.000 0.000 0.267 544 N C 0.029 175.285 175.510 -0.424 0.000 1.182 544 N CA 1.121 53.707 53.050 -0.773 0.000 1.019 544 N CB 0.279 38.336 38.487 -0.717 0.000 1.380 544 N HN 0.741 nan 8.380 nan 0.000 0.505 545 S N 1.592 117.123 115.700 -0.281 0.000 2.998 545 S HA 0.619 5.089 4.470 -0.000 0.000 0.323 545 S C -0.020 174.503 174.600 -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 0.104 121.280 121.223 -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 0.956 55.766 54.840 -0.048 0.000 1.242 546 L CB -1.807 40.143 42.059 -0.182 0.000 2.049 546 L HN 0.709 nan 8.230 nan 0.000 0.637 547 G N -0.877 107.921 108.800 -0.003 0.000 2.365 547 G HA2 0.482 4.442 3.960 -0.000 0.000 0.249 547 G HA3 0.482 4.442 3.960 -0.000 0.000 0.249 547 G C 1.247 176.192 174.900 0.076 0.000 1.288 547 G CA 0.218 45.302 45.100 -0.027 0.000 0.887 547 G HN 1.394 nan 8.290 nan 0.000 0.524 548 G N 1.811 110.666 108.800 0.092 0.000 2.213 548 G HA2 -0.309 3.650 3.960 -0.000 0.000 0.236 548 G HA3 -0.309 3.650 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 0.751 45.967 45.100 0.193 0.000 0.629 548 G HN 0.789 nan 8.290 nan 0.000 0.517 549 F N 2.197 122.283 119.950 0.227 0.000 2.085 549 F HA -0.038 4.488 4.527 -0.000 0.000 0.299 549 F C 2.778 178.808 175.800 0.383 0.000 1.096 549 F CA 2.953 61.152 58.000 0.332 0.000 1.227 549 F CB -0.585 38.535 39.000 0.201 0.000 0.983 549 F HN 0.420 nan 8.300 nan 0.000 0.482 550 A N -0.439 122.548 122.820 0.279 0.000 1.978 550 A HA -0.236 4.084 4.320 -0.000 0.000 0.220 550 A C 2.312 179.919 177.584 0.037 0.000 1.170 550 A CA 1.750 53.873 52.037 0.143 0.000 0.636 550 A CB -0.750 18.338 19.000 0.147 0.000 0.810 550 A HN 0.439 nan 8.150 nan 0.000 0.448 551 K N -1.549 118.866 120.400 0.025 0.000 2.074 551 K HA -0.212 4.108 4.320 -0.000 0.000 0.209 551 K C 1.809 178.200 176.600 -0.349 0.000 1.048 551 K CA 2.047 58.261 56.287 -0.122 0.000 0.926 551 K CB -0.347 32.074 32.500 -0.133 0.000 0.713 551 K HN 0.671 nan 8.250 nan 0.000 0.444 552 Y N -0.955 119.075 120.300 -0.451 0.000 2.163 552 Y HA -0.240 4.310 4.550 -0.000 0.000 0.288 552 Y C 2.131 177.081 175.900 -1.583 0.000 1.136 552 Y CA 1.348 58.823 58.100 -1.041 0.000 1.147 552 Y CB -0.424 37.393 38.460 -1.072 0.000 0.987 552 Y HN 0.172 nan 8.280 nan 0.000 0.509 553 W N 0.618 121.491 121.300 -0.712 0.000 2.350 553 W HA -0.233 4.427 4.660 -0.000 0.000 0.289 553 W C 2.666 178.997 176.519 -0.314 0.000 1.215 553 W CA 1.936 58.975 57.345 -0.510 0.000 1.236 553 W CB -0.560 28.679 29.460 -0.367 0.000 1.130 553 W HN 0.167 nan 8.180 nan 0.000 0.541 554 Q N 0.484 120.184 119.800 -0.167 0.000 2.123 554 Q HA -0.138 4.201 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 1.816 57.568 55.803 -0.085 0.000 0.845 554 Q CB -0.486 28.228 28.738 -0.039 0.000 0.907 554 Q HN 0.215 nan 8.270 nan 0.000 0.439 555 A N 0.754 123.412 122.820 -0.269 0.000 1.902 555 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 555 A C 1.936 179.488 177.584 -0.053 0.000 1.181 555 A CA 1.165 53.084 52.037 -0.196 0.000 0.623 555 A CB -1.113 17.645 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 4.273 4.527 -0.000 0.000 0.299 556 F C 2.755 178.465 175.800 -0.151 0.000 1.103 556 F CA 1.295 59.102 58.000 -0.322 0.000 1.228 556 F CB -0.228 38.382 39.000 -0.651 0.000 0.984 556 F HN 0.151 nan 8.300 nan 0.000 0.477 557 R N 0.080 120.647 120.500 0.112 0.000 2.148 557 R HA -0.186 4.154 4.340 -0.000 0.000 0.227 557 R C 2.041 178.383 176.300 0.070 0.000 1.103 557 R CA 1.288 57.436 56.100 0.080 0.000 0.983 557 R CB -0.396 29.945 30.300 0.068 0.000 0.874 557 R HN 0.444 nan 8.270 nan 0.000 0.451 558 Q N -0.450 119.423 119.800 0.122 0.000 2.402 558 Q HA -0.013 4.327 4.340 -0.000 0.000 0.206 558 Q C -0.610 175.439 176.000 0.082 0.000 0.919 558 Q CA 0.489 56.353 55.803 0.100 0.000 0.923 558 Q CB 0.562 29.375 28.738 0.126 0.000 1.048 558 Q HN 0.179 nan 8.270 nan 0.000 0.515 559 Y N 0.491 120.775 120.300 -0.028 0.000 2.345 559 Y HA 0.314 4.864 4.550 -0.000 0.000 0.331 559 Y C -1.792 174.083 175.900 -0.041 0.000 0.959 559 Y CA -2.909 55.173 58.100 -0.030 0.000 1.204 559 Y CB 1.552 39.997 38.460 -0.025 0.000 1.135 559 Y HN 0.069 nan 8.280 nan 0.000 0.477 560 P HA -0.245 nan 4.420 nan 0.000 0.217 560 P C 1.151 178.454 177.300 0.006 0.000 1.158 560 P CA 1.854 64.960 63.100 0.010 0.000 0.887 560 P CB 0.352 32.043 31.700 -0.016 0.000 0.792 561 R N -1.115 119.406 120.500 0.035 0.000 2.323 561 R HA 0.095 4.435 4.340 -0.000 0.000 0.198 561 R C 0.570 176.849 176.300 -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 0.671 177.397 176.870 -0.240 0.000 1.075 562 L CA 0.028 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 2.899 122.495 119.800 -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 0.903 29.492 28.738 -0.249 0.000 1.074 563 Q HN 0.939 nan 8.270 nan 0.000 0.473 564 G N -0.329 107.713 108.800 -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 -0.366 173.777 174.900 -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 -0.840 0.000 2.349 565 G HA2 0.655 4.614 3.960 -0.000 0.000 0.294 565 G HA3 0.655 4.614 3.960 -0.000 0.000 0.294 565 G C -1.853 172.939 174.900 -0.180 0.000 1.380 565 G CA -0.308 44.500 45.100 -0.487 0.000 0.811 565 G HN 1.151 nan 8.290 nan 0.000 0.519 566 F N 0.493 120.679 119.950 0.392 0.000 2.449 566 F HA 0.551 5.078 4.527 -0.000 0.000 0.342 566 F C 0.715 176.823 175.800 0.513 0.000 1.127 566 F CA -0.802 57.462 58.000 0.441 0.000 0.975 566 F CB 2.157 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 -0.445 61.963 62.300 0.180 0.000 1.124 567 V CB 1.017 32.926 31.823 0.145 0.000 0.987 567 V HN 0.786 nan 8.190 nan 0.000 0.487 568 W N 5.996 127.363 121.300 0.111 0.000 2.336 568 W HA 0.470 5.130 4.660 -0.000 0.000 0.315 568 W C -1.054 175.490 176.519 0.042 0.000 1.016 568 W CA -0.656 56.794 57.345 0.176 0.000 1.318 568 W CB 1.422 31.129 29.460 0.412 0.000 1.247 568 W HN 0.923 nan 8.180 nan 0.000 0.414 569 D N 2.604 122.649 120.400 -0.592 0.000 2.812 569 D HA 0.114 4.754 4.640 -0.000 0.000 0.318 569 D C 0.781 176.864 176.300 -0.362 0.000 1.234 569 D CA -0.551 53.007 54.000 -0.736 0.000 0.989 569 D CB 0.238 40.051 40.800 -1.645 0.000 1.442 569 D HN 0.407 nan 8.370 nan 0.000 0.537 570 W N 0.559 121.552 121.300 -0.511 0.000 2.348 570 W HA 0.034 4.694 4.660 -0.000 0.000 0.324 570 W C -0.069 176.223 176.519 -0.378 0.000 1.209 570 W CA 1.480 58.580 57.345 -0.409 0.000 1.275 570 W CB 0.116 29.369 29.460 -0.345 0.000 1.175 570 W HN 0.203 nan 8.180 nan 0.000 0.461 571 V N 0.917 120.628 119.914 -0.338 0.000 2.919 571 V HA 0.296 4.416 4.120 -0.000 0.000 0.316 571 V C -0.447 175.453 176.094 -0.323 0.000 1.077 571 V CA -1.107 60.932 62.300 -0.436 0.000 0.977 571 V CB 1.349 33.050 31.823 -0.203 0.000 1.039 571 V HN -0.084 nan 8.190 nan 0.000 0.441 572 D N 1.578 121.806 120.400 -0.286 0.000 2.382 572 D HA 0.171 4.811 4.640 -0.000 0.000 0.245 572 D C -0.023 176.131 176.300 -0.244 0.000 1.120 572 D CA 0.202 54.081 54.000 -0.202 0.000 0.890 572 D CB 1.348 42.118 40.800 -0.050 0.000 1.201 572 D HN 0.606 nan 8.370 nan 0.000 0.433 573 Q N 0.994 120.584 119.800 -0.351 0.000 3.207 573 Q HA 0.153 4.493 4.340 -0.000 0.000 0.335 573 Q C -0.347 175.603 176.000 -0.083 0.000 1.374 573 Q CA -0.342 55.043 55.803 -0.696 0.000 1.023 573 Q CB 0.244 28.648 28.738 -0.557 0.000 1.576 573 Q HN 0.355 nan 8.270 nan 0.000 0.515 574 S N 0.017 115.797 115.700 0.133 0.000 2.549 574 S HA 0.698 5.168 4.470 -0.000 0.000 0.297 574 S C -0.282 174.494 174.600 0.292 0.000 1.115 574 S CA -0.815 57.568 58.200 0.305 0.000 1.059 574 S CB 1.562 64.907 63.200 0.243 0.000 1.046 574 S HN 0.317 nan 8.310 nan 0.000 0.506 575 L N 1.768 123.082 121.223 0.152 0.000 2.322 575 L HA 0.612 4.952 4.340 -0.000 0.000 0.269 575 L C -0.431 176.338 176.870 -0.170 0.000 1.012 575 L CA -1.136 53.663 54.840 -0.068 0.000 0.815 575 L CB 1.427 43.330 42.059 -0.260 0.000 1.295 575 L HN 0.630 nan 8.230 nan 0.000 0.438 576 I N 1.333 121.744 120.570 -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 -0.654 0.000 0.995 576 I CA 0.007 61.021 61.300 -0.477 0.000 1.306 576 I CB 1.080 38.823 38.000 -0.428 0.000 1.407 576 I HN 0.511 nan 8.210 nan 0.000 0.501 577 K N 4.230 123.936 120.400 -1.157 0.000 2.466 577 K HA 0.584 4.904 4.320 -0.000 0.000 0.260 577 K C -1.782 174.077 176.600 -1.235 0.000 1.011 577 K CA -0.874 54.710 56.287 -1.171 0.000 0.871 577 K CB 2.339 33.885 32.500 -1.590 0.000 1.404 577 K HN 0.257 nan 8.250 nan 0.000 0.450 578 Y N 0.472 120.619 120.300 -0.254 0.000 2.499 578 Y HA 0.180 4.730 4.550 -0.000 0.000 0.347 578 Y C -0.077 176.005 175.900 0.304 0.000 0.987 578 Y CA -1.091 57.045 58.100 0.059 0.000 1.044 578 Y CB 1.375 39.844 38.460 0.015 0.000 1.245 578 Y HN 0.647 nan 8.280 nan 0.000 0.461 579 D N 0.104 120.798 120.400 0.490 0.000 2.388 579 D HA 0.055 4.694 4.640 -0.000 0.000 0.254 579 D C 0.967 177.390 176.300 0.204 0.000 1.111 579 D CA -0.567 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 0.217 176.855 176.600 0.063 0.000 0.998 580 E CA 1.091 57.533 56.400 0.070 0.000 0.818 580 E CB -0.800 28.922 29.700 0.037 0.000 0.741 580 E HN 0.484 nan 8.360 nan 0.000 0.477 581 N N 1.122 119.868 118.700 0.077 0.000 2.421 581 N HA 0.125 4.865 4.740 -0.000 0.000 0.201 581 N C 0.847 176.411 175.510 0.089 0.000 1.198 581 N CA 0.838 53.927 53.050 0.066 0.000 0.838 581 N CB 0.252 38.773 38.487 0.056 0.000 1.011 581 N HN 0.412 nan 8.380 nan 0.000 0.463 582 G N 0.679 109.549 108.800 0.116 0.000 2.249 582 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.273 582 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.273 582 G C -0.439 174.641 174.900 0.299 0.000 1.036 582 G CA -0.265 44.909 45.100 0.124 0.000 0.824 582 G HN 0.305 nan 8.290 nan 0.000 0.504 583 N N 1.115 120.014 118.700 0.331 0.000 2.438 583 N HA 0.499 5.239 4.740 -0.000 0.000 0.282 583 N C -2.471 173.234 175.510 0.325 0.000 1.037 583 N CA -1.488 51.747 53.050 0.309 0.000 0.942 583 N CB 2.056 40.665 38.487 0.203 0.000 1.136 583 N HN 0.140 nan 8.380 nan 0.000 0.481 584 P HA 0.327 nan 4.420 nan 0.000 0.284 584 P C -0.584 176.641 177.300 -0.125 0.000 1.253 584 P CA -0.366 62.475 63.100 -0.432 0.000 0.800 584 P CB 0.675 32.162 31.700 -0.355 0.000 0.961 585 W N -0.217 120.824 121.300 -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 -0.607 0.000 1.383 585 W HN 0.140 nan 8.180 nan 0.000 0.545 586 S N 1.934 117.635 115.700 0.003 0.000 2.488 586 S HA 0.539 5.009 4.470 -0.000 0.000 0.278 586 S C 0.264 174.967 174.600 0.172 0.000 1.259 586 S CA -0.160 58.053 58.200 0.021 0.000 1.061 586 S CB 0.891 64.166 63.200 0.125 0.000 0.910 586 S HN 0.655 nan 8.310 nan 0.000 0.491 587 A N 2.818 125.618 122.820 -0.033 0.000 2.311 587 A HA 0.897 5.217 4.320 -0.000 0.000 0.334 587 A C -0.621 177.221 177.584 0.431 0.000 1.139 587 A CA -0.789 51.297 52.037 0.083 0.000 0.830 587 A CB 0.716 19.543 19.000 -0.289 0.000 1.234 587 A HN 0.878 nan 8.150 nan 0.000 0.483 588 Y N -1.102 119.525 120.300 0.545 0.000 2.974 588 Y HA 0.749 5.299 4.550 -0.000 0.000 0.310 588 Y C 0.593 176.833 175.900 0.567 0.000 1.526 588 Y CA -1.327 57.076 58.100 0.505 0.000 1.087 588 Y CB -0.035 38.541 38.460 0.194 0.000 1.404 588 Y HN 0.999 nan 8.280 nan 0.000 0.491 589 G N 0.085 109.265 108.800 0.635 0.000 2.187 589 G HA2 0.356 4.316 3.960 -0.000 0.000 0.239 589 G HA3 0.356 4.316 3.960 -0.000 0.000 0.239 589 G C 1.027 176.263 174.900 0.559 0.000 1.200 589 G CA 0.573 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 2.308 111.402 108.800 0.491 0.000 2.234 590 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.260 590 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.260 590 G C 0.917 176.033 174.900 0.361 0.000 0.987 590 G CA 0.765 46.094 45.100 0.383 0.000 0.625 590 G HN 0.671 nan 8.290 nan 0.000 0.532 591 D N -0.324 120.328 120.400 0.420 0.000 2.378 591 D HA 0.110 4.749 4.640 -0.000 0.000 0.222 591 D C 1.262 177.458 176.300 -0.174 0.000 0.980 591 D CA 0.625 54.714 54.000 0.148 0.000 0.907 591 D CB -0.207 40.640 40.800 0.078 0.000 0.899 591 D HN 0.479 nan 8.370 nan 0.000 0.527 592 F N -1.042 119.030 119.950 0.203 0.000 2.735 592 F HA 0.332 4.859 4.527 -0.000 0.000 0.304 592 F C 1.745 177.635 175.800 0.150 0.000 1.119 592 F CA -0.359 57.726 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 0.600 109.563 108.800 0.271 0.000 2.175 593 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.265 593 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.265 593 G C -0.067 174.978 174.900 0.242 0.000 0.979 593 G CA 0.323 45.550 45.100 0.212 0.000 0.663 593 G HN 0.461 nan 8.290 nan 0.000 0.533 594 D N 0.532 121.131 120.400 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 0.655 54.837 54.000 0.304 0.000 0.879 594 D CB 1.131 42.173 40.800 0.403 0.000 1.163 594 D HN 0.072 nan 8.370 nan 0.000 0.472 595 T N 2.387 117.040 114.554 0.164 0.000 2.952 595 T HA 0.460 4.810 4.350 -0.000 0.000 0.305 595 T C -2.358 172.383 174.700 0.069 0.000 1.064 595 T CA -0.945 61.219 62.100 0.107 0.000 1.008 595 T CB 2.001 70.928 68.868 0.097 0.000 1.078 595 T HN 0.389 nan 8.240 nan 0.000 0.459 596 P HA 0.530 nan 4.420 nan 0.000 0.279 596 P C -1.098 176.192 177.300 -0.017 0.000 1.276 596 P CA -0.665 62.436 63.100 0.002 0.000 0.801 596 P CB 0.749 32.423 31.700 -0.043 0.000 1.127 597 N N -1.282 117.408 118.700 -0.016 0.000 2.732 597 N HA 0.161 4.901 4.740 -0.000 0.000 0.259 597 N C -1.272 174.202 175.510 -0.060 0.000 1.402 597 N CA -0.546 52.479 53.050 -0.041 0.000 0.829 597 N CB 1.319 39.880 38.487 0.124 0.000 1.495 597 N HN 0.211 nan 8.380 nan 0.000 0.511 598 D N 0.212 120.554 120.400 -0.097 0.000 2.772 598 D HA 0.148 4.788 4.640 -0.000 0.000 0.272 598 D C 0.595 177.126 176.300 0.384 0.000 1.314 598 D CA -0.218 53.800 54.000 0.031 0.000 0.835 598 D CB 0.846 41.490 40.800 -0.260 0.000 1.080 598 D HN 0.590 nan 8.370 nan 0.000 0.482 599 R N 0.295 120.997 120.500 0.337 0.000 3.587 599 R HA -0.366 3.974 4.340 -0.000 0.000 0.556 599 R C 0.945 177.240 176.300 -0.007 0.000 0.241 599 R CA 1.456 57.727 56.100 0.285 0.000 1.724 599 R CB -1.359 29.018 30.300 0.127 0.000 0.885 599 R HN 0.067 nan 8.270 nan 0.000 0.613 600 Q N 0.641 120.124 119.800 -0.528 0.000 2.437 600 Q HA 0.104 4.444 4.340 -0.000 0.000 0.210 600 Q C 1.810 177.526 176.000 -0.474 0.000 0.972 600 Q CA 1.531 56.861 55.803 -0.788 0.000 0.903 600 Q CB -0.223 27.922 28.738 -0.990 0.000 0.967 600 Q HN 0.436 nan 8.270 nan 0.000 0.486 601 F N 0.680 120.527 119.950 -0.172 0.000 2.271 601 F HA -0.251 4.275 4.527 -0.000 0.000 0.302 601 F C 1.875 177.624 175.800 -0.085 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 -1.377 117.668 119.300 -0.424 0.000 2.539 602 C HA 0.180 4.640 4.460 -0.000 0.000 0.271 602 C C 1.002 175.796 174.990 -0.327 0.000 1.412 602 C CA -0.485 58.136 59.018 -0.663 0.000 1.729 602 C CB -1.893 24.945 27.740 -1.502 0.000 1.739 602 C HN 0.204 nan 8.230 nan 0.000 0.570 603 M N 3.157 122.604 119.600 -0.255 0.000 2.060 603 M HA 0.321 4.801 4.480 -0.000 0.000 0.342 603 M C -0.433 175.753 176.300 -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 1.554 120.140 118.700 -0.191 0.000 2.307 604 N HA 0.168 4.908 4.740 -0.000 0.000 0.248 604 N C 0.177 175.483 175.510 -0.341 0.000 1.322 604 N CA -0.127 52.772 53.050 -0.252 0.000 0.861 604 N CB 1.298 39.691 38.487 -0.155 0.000 1.303 604 N HN 0.669 nan 8.380 nan 0.000 0.498 605 G N 0.035 108.596 108.800 -0.399 0.000 2.528 605 G HA2 0.471 4.431 3.960 -0.000 0.000 0.289 605 G HA3 0.471 4.431 3.960 -0.000 0.000 0.289 605 G C 0.880 175.315 174.900 -0.774 0.000 1.192 605 G CA -0.505 44.260 45.100 -0.558 0.000 0.921 605 G HN 0.102 nan 8.290 nan 0.000 0.512 606 L N -0.416 120.348 121.223 -0.765 0.000 2.446 606 L HA 0.165 4.504 4.340 -0.000 0.000 0.219 606 L C 0.690 176.918 176.870 -1.071 0.000 1.116 606 L CA 0.238 54.629 54.840 -0.749 0.000 0.844 606 L CB -0.144 41.643 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 -0.428 175.194 176.094 -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 -0.868 0.000 1.042 607 V HN -0.136 nan 8.190 nan 0.000 0.433 608 F N 1.253 121.064 119.950 -0.231 0.000 2.444 608 F HA 0.558 5.085 4.527 -0.000 0.000 0.331 608 F C 1.942 177.651 175.800 -0.151 0.000 1.167 608 F CA 0.373 58.345 58.000 -0.046 0.000 1.262 608 F CB 1.405 40.412 39.000 0.010 0.000 1.196 608 F HN 0.813 nan 8.300 nan 0.000 0.583 609 A N 1.215 124.113 122.820 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 -2.895 117.489 120.400 -0.026 0.000 2.378 610 D HA 0.118 4.757 4.640 -0.000 0.000 0.227 610 D C 0.636 176.914 176.300 -0.037 0.000 1.012 610 D CA 0.362 54.323 54.000 -0.066 0.000 0.905 610 D CB -0.143 40.623 40.800 -0.057 0.000 0.895 610 D HN 0.256 nan 8.370 nan 0.000 0.532 611 R N -1.033 119.446 120.500 -0.036 0.000 3.515 611 R HA -0.109 4.231 4.340 -0.000 0.000 0.292 611 R C -0.781 175.505 176.300 -0.022 0.000 1.148 611 R CA 1.040 57.097 56.100 -0.071 0.000 0.786 611 R CB -3.109 27.180 30.300 -0.019 0.000 1.327 611 R HN 0.548 nan 8.270 nan 0.000 0.454 612 T N -2.142 112.460 114.554 0.079 0.000 2.779 612 T HA 0.718 5.068 4.350 -0.000 0.000 0.280 612 T C -2.471 172.372 174.700 0.238 0.000 0.987 612 T CA -2.422 59.772 62.100 0.156 0.000 0.966 612 T CB 2.434 71.389 68.868 0.145 0.000 0.933 612 T HN -0.174 nan 8.240 nan 0.000 0.442 613 P HA 0.094 nan 4.420 nan 0.000 0.267 613 P C -0.181 177.162 177.300 0.072 0.000 1.200 613 P CA -0.009 63.075 63.100 -0.026 0.000 0.772 613 P CB 0.249 31.949 31.700 -0.002 0.000 0.855 614 H N 2.929 121.797 119.070 -0.337 0.000 2.508 614 H HA 0.165 4.721 4.556 -0.000 0.000 0.344 614 H C -1.191 174.029 175.328 -0.180 0.000 1.192 614 H CA -2.122 53.712 56.048 -0.355 0.000 1.290 614 H CB 0.863 30.381 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 1.276 64.362 63.100 -0.024 0.000 0.817 615 P CB -0.052 31.625 31.700 -0.038 0.000 0.785 616 A N 0.187 123.005 122.820 -0.004 0.000 1.958 616 A HA -0.225 4.095 4.320 -0.000 0.000 0.221 616 A C 2.153 179.686 177.584 -0.085 0.000 1.178 616 A CA 1.684 53.685 52.037 -0.061 0.000 0.642 616 A CB -1.750 17.189 19.000 -0.100 0.000 0.816 616 A HN 0.167 nan 8.150 nan 0.000 0.453 617 L N 0.017 121.204 121.223 -0.060 0.000 2.089 617 L HA -0.208 4.132 4.340 -0.000 0.000 0.213 617 L C 2.493 179.397 176.870 0.058 0.000 1.079 617 L CA 2.834 57.669 54.840 -0.008 0.000 0.758 617 L CB -1.011 41.043 42.059 -0.009 0.000 0.891 617 L HN 0.451 nan 8.230 nan 0.000 0.433 618 T N -1.332 113.261 114.554 0.065 0.000 2.708 618 T HA -0.208 4.142 4.350 -0.000 0.000 0.266 618 T C 1.714 176.514 174.700 0.168 0.000 1.037 618 T CA 1.358 63.547 62.100 0.149 0.000 1.146 618 T CB -0.238 68.702 68.868 0.120 0.000 0.865 618 T HN 0.364 nan 8.240 nan 0.000 0.435 619 E N 1.545 121.794 120.200 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 0.096 0.000 0.801 619 E CB -0.567 29.153 29.700 0.034 0.000 0.743 619 E HN 0.454 nan 8.360 nan 0.000 0.453 620 A N 0.991 123.738 122.820 -0.123 0.000 1.865 620 A HA -0.285 4.035 4.320 -0.000 0.000 0.217 620 A C 2.188 179.695 177.584 -0.128 0.000 1.191 620 A CA 2.215 54.155 52.037 -0.161 0.000 0.623 620 A CB -0.774 18.116 19.000 -0.184 0.000 0.826 620 A HN 0.310 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 -0.310 4.010 4.320 -0.000 0.000 0.210 621 K C 2.065 178.576 176.600 -0.147 0.000 1.049 621 K CA 2.159 58.435 56.287 -0.017 0.000 0.927 621 K CB -0.380 32.243 32.500 0.206 0.000 0.713 621 K HN 0.649 nan 8.250 nan 0.000 0.443 622 H N 0.431 119.347 119.070 -0.255 0.000 2.293 622 H HA -0.057 4.499 4.556 -0.000 0.000 0.300 622 H C 1.946 176.995 175.328 -0.467 0.000 1.082 622 H CA 1.988 57.688 56.048 -0.580 0.000 1.308 622 H CB -0.107 29.350 29.762 -0.508 0.000 1.375 622 H HN 0.248 nan 8.280 nan 0.000 0.495 623 Q N 0.247 119.750 119.800 -0.495 0.000 2.291 623 Q HA -0.116 4.224 4.340 -0.000 0.000 0.206 623 Q C 1.719 177.165 176.000 -0.923 0.000 0.976 623 Q CA 1.348 56.770 55.803 -0.635 0.000 0.875 623 Q CB -0.040 28.439 28.738 -0.433 0.000 0.927 623 Q HN 0.727 nan 8.270 nan 0.000 0.450 624 Q N 0.570 119.832 119.800 -0.897 0.000 2.319 624 Q HA 0.038 4.378 4.340 -0.000 0.000 0.202 624 Q C 0.065 175.511 176.000 -0.924 0.000 0.896 624 Q CA -0.265 54.884 55.803 -1.089 0.000 0.942 624 Q CB 0.304 28.425 28.738 -1.029 0.000 1.083 624 Q HN 0.465 nan 8.270 nan 0.000 0.510 625 Q N -0.419 118.978 119.800 -0.672 0.000 2.414 625 Q HA -0.060 4.280 4.340 -0.000 0.000 0.288 625 Q C -0.240 175.345 176.000 -0.691 0.000 1.086 625 Q CA 0.407 55.915 55.803 -0.493 0.000 0.943 625 Q CB 0.302 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 -0.157 119.538 119.950 -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 0.012 57.518 58.000 -0.824 0.000 1.387 626 F CB 0.430 38.582 39.000 -1.412 0.000 1.107 626 F HN 0.344 nan 8.300 nan 0.000 0.577 627 F N 0.072 119.914 119.950 -0.180 0.000 2.532 627 F HA 0.489 5.016 4.527 -0.000 0.000 0.321 627 F C -0.234 175.231 175.800 -0.559 0.000 1.089 627 F CA -1.077 56.731 58.000 -0.321 0.000 0.926 627 F CB 1.368 40.199 39.000 -0.282 0.000 1.168 627 F HN -0.330 nan 8.300 nan 0.000 0.459 628 Q N 3.083 122.611 119.800 -0.453 0.000 2.353 628 Q HA 0.514 4.854 4.340 -0.000 0.000 0.268 628 Q C -1.457 174.199 176.000 -0.573 0.000 1.045 628 Q CA -0.643 54.894 55.803 -0.444 0.000 0.811 628 Q CB 3.054 31.684 28.738 -0.179 0.000 1.305 628 Q HN 0.539 nan 8.270 nan 0.000 0.447 629 F N 0.463 120.538 119.950 0.208 0.000 2.522 629 F HA 0.610 5.137 4.527 -0.000 0.000 0.324 629 F C 0.549 176.584 175.800 0.392 0.000 1.077 629 F CA -0.843 57.356 58.000 0.332 0.000 0.944 629 F CB 1.907 41.225 39.000 0.531 0.000 1.175 629 F HN 0.113 nan 8.300 nan 0.000 0.468 630 R N 1.759 122.570 120.500 0.517 0.000 2.628 630 R HA 0.624 4.964 4.340 -0.000 0.000 0.288 630 R C -2.004 174.360 176.300 0.107 0.000 0.980 630 R CA -1.174 55.126 56.100 0.334 0.000 0.891 630 R CB 2.667 33.072 30.300 0.174 0.000 1.188 630 R HN 0.554 nan 8.270 nan 0.000 0.450 631 L N 1.373 122.546 121.223 -0.083 0.000 2.333 631 L HA 0.487 4.827 4.340 -0.000 0.000 0.280 631 L C -1.010 175.710 176.870 -0.251 0.000 1.004 631 L CA 0.086 54.652 54.840 -0.457 0.000 0.820 631 L CB 1.949 43.287 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 0.447 174.961 174.600 -0.143 0.000 1.153 632 S CA 0.202 58.319 58.200 -0.137 0.000 1.084 632 S CB 0.254 63.409 63.200 -0.076 0.000 1.036 632 S HN 1.462 nan 8.310 nan 0.000 0.484 633 G N 4.318 113.032 108.800 -0.144 0.000 2.620 633 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.315 633 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.315 633 G C 0.436 175.235 174.900 -0.169 0.000 1.179 633 G CA 0.715 45.736 45.100 -0.132 0.000 0.971 633 G HN 0.652 nan 8.290 nan 0.000 0.544 634 Q N 1.346 121.055 119.800 -0.151 0.000 2.198 634 Q HA 0.215 4.554 4.340 -0.000 0.000 0.209 634 Q C 0.014 175.899 176.000 -0.192 0.000 0.848 634 Q CA 0.669 56.363 55.803 -0.181 0.000 0.974 634 Q CB 0.842 29.490 28.738 -0.149 0.000 1.115 634 Q HN 0.569 nan 8.270 nan 0.000 0.494 635 T N 0.810 115.262 114.554 -0.171 0.000 2.797 635 T HA 0.538 4.888 4.350 -0.000 0.000 0.279 635 T C 0.082 174.686 174.700 -0.161 0.000 0.991 635 T CA -0.391 61.624 62.100 -0.142 0.000 0.979 635 T CB 1.578 70.394 68.868 -0.087 0.000 0.943 635 T HN 0.020 nan 8.240 nan 0.000 0.444 636 I N 2.404 122.902 120.570 -0.119 0.000 2.336 636 I HA 0.327 4.496 4.170 -0.000 0.000 0.292 636 I C 0.476 176.625 176.117 0.053 0.000 0.991 636 I CA -0.662 60.600 61.300 -0.064 0.000 1.227 636 I CB 1.423 39.416 38.000 -0.012 0.000 1.366 636 I HN 0.625 nan 8.210 nan 0.000 0.466 637 E N 6.510 126.768 120.200 0.095 0.000 2.156 637 E HA 0.493 4.843 4.350 -0.000 0.000 0.279 637 E C -1.545 175.162 176.600 0.177 0.000 0.965 637 E CA -0.587 55.880 56.400 0.112 0.000 0.789 637 E CB 1.608 31.354 29.700 0.076 0.000 1.098 637 E HN 0.363 nan 8.360 nan 0.000 0.397 638 V N 3.640 123.633 119.914 0.132 0.000 2.555 638 V HA 0.418 4.538 4.120 -0.000 0.000 0.302 638 V C -0.158 175.954 176.094 0.031 0.000 1.038 638 V CA -0.702 61.641 62.300 0.072 0.000 0.887 638 V CB 1.913 33.810 31.823 0.123 0.000 0.991 638 V HN 0.726 nan 8.190 nan 0.000 0.434 639 T N 2.547 117.077 114.554 -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 61.722 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 0.681 nan 8.240 nan 0.000 0.448 640 S N 1.550 117.251 115.700 0.002 0.000 2.457 640 S HA 0.242 4.712 4.470 -0.000 0.000 0.289 640 S C 0.641 175.132 174.600 -0.181 0.000 1.163 640 S CA -0.586 57.560 58.200 -0.091 0.000 1.078 640 S CB 0.492 63.711 63.200 0.031 0.000 0.987 640 S HN 0.697 nan 8.310 nan 0.000 0.482 641 E N 3.426 123.419 120.200 -0.344 0.000 2.451 641 E HA 0.094 4.444 4.350 -0.000 0.000 0.194 641 E C -0.861 175.592 176.600 -0.246 0.000 1.027 641 E CA -0.069 56.172 56.400 -0.266 0.000 0.914 641 E CB 0.334 29.862 29.700 -0.287 0.000 1.054 641 E HN 0.677 nan 8.360 nan 0.000 0.461 642 Y N 0.330 120.521 120.300 -0.182 0.000 2.309 642 Y HA 0.102 4.652 4.550 -0.000 0.000 0.327 642 Y C 1.401 177.138 175.900 -0.272 0.000 1.172 642 Y CA -0.308 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 -0.032 nan 8.280 nan 0.000 0.512 643 L N 1.439 122.499 121.223 -0.272 0.000 2.408 643 L HA 0.062 4.401 4.340 -0.000 0.000 0.215 643 L C 0.666 177.077 176.870 -0.765 0.000 1.081 643 L CA 0.745 55.171 54.840 -0.690 0.000 0.840 643 L CB 0.050 41.290 42.059 -1.366 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 1.388 177.160 175.800 -0.048 0.000 1.065 644 F CA -0.805 57.173 58.000 -0.035 0.000 1.230 644 F CB 0.359 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 -0.073 120.454 120.500 0.044 0.000 2.607 645 R HA 0.509 4.849 4.340 -0.000 0.000 0.261 645 R C -1.118 175.184 176.300 0.002 0.000 1.051 645 R CA -0.665 55.409 56.100 -0.043 0.000 1.110 645 R CB 0.659 30.832 30.300 -0.211 0.000 1.158 645 R HN 0.055 nan 8.270 nan 0.000 0.543 646 H N -0.416 118.625 119.070 -0.048 0.000 2.502 646 H HA 0.200 4.756 4.556 -0.000 0.000 0.338 646 H C -0.310 175.037 175.328 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 0.744 nan 8.280 nan 0.000 0.523 647 S N 2.298 117.807 115.700 -0.319 0.000 3.988 647 S HA -0.069 4.401 4.470 -0.000 0.000 0.180 647 S C 0.176 174.859 174.600 0.139 0.000 1.242 647 S CA 0.013 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 0.306 120.808 120.400 0.171 0.000 2.319 648 D HA 0.032 4.671 4.640 -0.000 0.000 0.230 648 D C 0.423 176.784 176.300 0.101 0.000 1.094 648 D CA -0.198 53.902 54.000 0.168 0.000 0.856 648 D CB -0.232 40.659 40.800 0.151 0.000 0.915 648 D HN 0.466 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 -1.547 174.018 175.510 0.091 0.000 1.788 649 N CA -0.233 52.864 53.050 0.078 0.000 0.860 649 N CB 0.299 38.822 38.487 0.059 0.000 1.388 649 N HN -0.052 nan 8.380 nan 0.000 0.496 650 E N 0.107 120.355 120.200 0.080 0.000 2.246 650 E HA 0.435 4.785 4.350 -0.000 0.000 0.266 650 E C -1.523 175.095 176.600 0.030 0.000 0.880 650 E CA -0.604 55.824 56.400 0.046 0.000 0.762 650 E CB 1.922 31.622 29.700 0.000 0.000 1.180 650 E HN 0.064 nan 8.360 nan 0.000 0.416 651 L N 3.537 124.771 121.223 0.017 0.000 2.341 651 L HA 0.544 4.884 4.340 -0.000 0.000 0.278 651 L C -1.470 175.425 176.870 0.043 0.000 1.005 651 L CA -0.924 53.944 54.840 0.046 0.000 0.818 651 L CB 1.521 43.608 42.059 0.047 0.000 1.259 651 L HN 0.595 nan 8.230 nan 0.000 0.418 652 L N 5.072 126.380 121.223 0.142 0.000 2.276 652 L HA 0.452 4.791 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 0.040 54.994 54.840 0.191 0.000 0.826 652 L CB 0.445 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 5.808 124.926 119.070 0.080 0.000 2.467 653 H HA 0.383 4.939 4.556 -0.000 0.000 0.326 653 H C -1.120 174.268 175.328 0.100 0.000 1.094 653 H CA -0.736 55.316 56.048 0.006 0.000 1.253 653 H CB 0.945 30.682 29.762 -0.042 0.000 1.439 653 H HN 0.705 nan 8.280 nan 0.000 0.479 654 W N 3.608 124.979 121.300 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 -1.433 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 0.610 nan 8.180 nan 0.000 0.572 655 M N 1.199 121.170 119.600 0.618 0.000 2.569 655 M HA 0.539 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 -0.561 54.977 55.300 0.397 0.000 0.885 655 M CB 1.737 34.340 32.600 0.006 0.000 1.759 655 M HN 0.127 nan 8.290 nan 0.000 0.515 656 V N 2.350 122.493 119.914 0.383 0.000 2.513 656 V HA 1.043 5.163 4.120 -0.000 0.000 0.299 656 V C -0.189 176.020 176.094 0.190 0.000 1.035 656 V CA 0.048 62.521 62.300 0.287 0.000 0.889 656 V CB 1.297 33.285 31.823 0.274 0.000 0.988 656 V HN 1.150 nan 8.190 nan 0.000 0.440 657 A N 4.098 127.039 122.820 0.201 0.000 2.572 657 A HA 0.863 5.183 4.320 -0.000 0.000 0.295 657 A C -1.734 175.975 177.584 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 1.451 122.764 121.223 0.151 0.000 2.280 658 L HA 0.558 4.898 4.340 -0.000 0.000 0.287 658 L C -0.392 176.578 176.870 0.166 0.000 1.023 658 L CA 0.246 55.188 54.840 0.171 0.000 0.819 658 L CB 0.333 42.457 42.059 0.108 0.000 1.212 658 L HN 0.775 nan 8.230 nan 0.000 0.420 659 D N 4.741 125.306 120.400 0.275 0.000 2.733 659 D HA -0.211 4.429 4.640 -0.000 0.000 0.232 659 D C 1.185 177.512 176.300 0.046 0.000 1.161 659 D CA 1.588 55.732 54.000 0.240 0.000 0.653 659 D CB -1.007 39.904 40.800 0.185 0.000 1.052 659 D HN 1.171 nan 8.370 nan 0.000 0.424 660 G N -1.284 107.509 108.800 -0.010 0.000 2.213 660 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.236 660 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.236 660 G C 0.161 174.989 174.900 -0.120 0.000 0.991 660 G CA 0.281 45.273 45.100 -0.180 0.000 0.629 660 G HN 0.434 nan 8.290 nan 0.000 0.517 661 K N 2.203 122.583 120.400 -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 -2.051 54.220 56.287 -0.027 0.000 0.892 661 K CB 1.823 34.318 32.500 -0.007 0.000 1.102 661 K HN 0.095 nan 8.250 nan 0.000 0.469 662 P HA 0.037 nan 4.420 nan 0.000 0.271 662 P C -0.229 177.079 177.300 0.013 0.000 1.220 662 P CA 0.036 63.131 63.100 -0.008 0.000 0.768 662 P CB 0.686 32.357 31.700 -0.049 0.000 0.848 663 L N 1.304 122.557 121.223 0.050 0.000 2.717 663 L HA 0.538 4.877 4.340 -0.000 0.000 0.239 663 L C 0.800 177.714 176.870 0.074 0.000 1.086 663 L CA 0.112 54.987 54.840 0.058 0.000 0.897 663 L CB 0.325 42.433 42.059 0.081 0.000 1.214 663 L HN 0.364 nan 8.230 nan 0.000 0.508 664 A N -0.084 122.797 122.820 0.101 0.000 2.594 664 A HA 0.713 5.033 4.320 -0.000 0.000 0.296 664 A C -0.941 176.618 177.584 -0.041 0.000 1.056 664 A CA -0.333 51.776 52.037 0.120 0.000 0.693 664 A CB 1.411 20.620 19.000 0.349 0.000 1.278 664 A HN -0.008 nan 8.150 nan 0.000 0.408 665 S N -0.358 115.060 115.700 -0.470 0.000 2.627 665 S HA 0.983 5.453 4.470 -0.000 0.000 0.283 665 S C -0.071 173.507 174.600 -1.704 0.000 1.127 665 S CA -0.340 57.221 58.200 -1.066 0.000 0.863 665 S CB 2.026 64.873 63.200 -0.589 0.000 1.121 665 S HN 2.114 nan 8.310 nan 0.000 0.479 666 G N -0.197 107.247 108.800 -2.259 0.000 2.677 666 G HA2 0.624 4.584 3.960 -0.000 0.000 0.291 666 G HA3 0.624 4.584 3.960 -0.000 0.000 0.291 666 G C -2.159 172.205 174.900 -0.894 0.000 1.435 666 G CA -0.598 43.590 45.100 -1.520 0.000 0.826 666 G HN 0.621 nan 8.290 nan 0.000 0.491 667 E N -0.538 119.490 120.200 -0.286 0.000 2.246 667 E HA 0.610 4.960 4.350 -0.000 0.000 0.266 667 E C -1.357 175.312 176.600 0.116 0.000 0.880 667 E CA -0.533 55.805 56.400 -0.104 0.000 0.762 667 E CB 2.592 32.191 29.700 -0.169 0.000 1.180 667 E HN 0.326 nan 8.360 nan 0.000 0.416 668 V N 5.731 125.769 119.914 0.205 0.000 2.668 668 V HA 0.432 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 2.057 34.006 31.823 0.210 0.000 1.008 668 V HN 0.623 nan 8.190 nan 0.000 0.425 669 P HA 0.254 nan 4.420 nan 0.000 0.276 669 P C -0.673 176.683 177.300 0.094 0.000 1.235 669 P CA -0.035 63.126 63.100 0.101 0.000 0.772 669 P CB 0.855 32.610 31.700 0.092 0.000 0.871 670 L N 3.113 124.379 121.223 0.070 0.000 2.350 670 L HA 0.314 4.654 4.340 -0.000 0.000 0.275 670 L C 0.510 177.428 176.870 0.080 0.000 1.099 670 L CA 0.232 55.101 54.840 0.050 0.000 0.808 670 L CB 0.573 42.610 42.059 -0.037 0.000 1.149 670 L HN 0.326 nan 8.230 nan 0.000 0.442 671 D N 2.254 122.705 120.400 0.084 0.000 2.429 671 D HA 0.386 5.026 4.640 -0.000 0.000 0.255 671 D C -1.328 174.992 176.300 0.034 0.000 1.257 671 D CA -0.062 54.032 54.000 0.158 0.000 0.890 671 D CB 0.985 41.913 40.800 0.214 0.000 1.267 671 D HN 0.101 nan 8.370 nan 0.000 0.521 672 V N 0.520 120.266 119.914 -0.280 0.000 2.638 672 V HA 0.898 5.018 4.120 -0.000 0.000 0.306 672 V C 0.517 176.372 176.094 -0.398 0.000 1.052 672 V CA -1.418 60.775 62.300 -0.179 0.000 0.885 672 V CB 1.423 33.268 31.823 0.035 0.000 0.999 672 V HN 0.436 nan 8.190 nan 0.000 0.424 673 A N 5.598 128.393 122.820 -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 -0.396 176.904 177.300 -0.001 0.000 1.165 674 P CA 0.721 63.837 63.100 0.027 0.000 0.759 674 P CB 0.140 31.837 31.700 -0.004 0.000 0.772 675 Q N -1.239 118.544 119.800 -0.028 0.000 2.452 675 Q HA -0.187 4.153 4.340 -0.000 0.000 0.248 675 Q C 0.697 176.692 176.000 -0.008 0.000 0.874 675 Q CA 1.377 57.158 55.803 -0.038 0.000 1.208 675 Q CB -2.448 26.259 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 -0.625 174.297 174.900 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 0.465 4.785 4.320 -0.000 0.000 0.249 677 K C -0.833 175.802 176.600 0.060 0.000 0.942 677 K CA -0.547 55.768 56.287 0.047 0.000 0.816 677 K CB 2.380 34.901 32.500 0.037 0.000 1.155 677 K HN 0.530 nan 8.250 nan 0.000 0.428 678 Q N 3.335 123.176 119.800 0.069 0.000 2.323 678 Q HA 0.377 4.717 4.340 -0.000 0.000 0.271 678 Q C -1.557 174.487 176.000 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 5.095 126.353 121.223 0.058 0.000 2.289 679 L HA 0.538 4.878 4.340 -0.000 0.000 0.285 679 L C -0.450 176.444 176.870 0.040 0.000 1.049 679 L CA -0.680 54.186 54.840 0.044 0.000 0.804 679 L CB 1.202 43.276 42.059 0.026 0.000 1.195 679 L HN 0.626 nan 8.230 nan 0.000 0.428 680 I N 3.066 123.652 120.570 0.027 0.000 2.410 680 I HA 0.238 4.408 4.170 -0.000 0.000 0.286 680 I C -0.289 175.800 176.117 -0.045 0.000 1.009 680 I CA -0.738 60.569 61.300 0.012 0.000 1.111 680 I CB 2.030 40.057 38.000 0.045 0.000 1.262 680 I HN 0.466 nan 8.210 nan 0.000 0.443 681 E N 6.598 126.774 120.200 -0.040 0.000 2.223 681 E HA 0.389 4.739 4.350 -0.000 0.000 0.282 681 E C -0.643 175.888 176.600 -0.116 0.000 1.046 681 E CA -0.302 56.056 56.400 -0.069 0.000 0.857 681 E CB 1.365 31.042 29.700 -0.038 0.000 1.055 681 E HN 0.470 nan 8.360 nan 0.000 0.409 682 L N 6.162 127.278 121.223 -0.178 0.000 2.312 682 L HA 0.328 4.667 4.340 -0.000 0.000 0.281 682 L C -1.865 174.896 176.870 -0.182 0.000 1.070 682 L CA -1.903 52.775 54.840 -0.270 0.000 0.805 682 L CB 1.221 43.041 42.059 -0.397 0.000 1.174 682 L HN 0.233 nan 8.230 nan 0.000 0.434 683 P HA -0.011 nan 4.420 nan 0.000 0.270 683 P C -0.405 176.840 177.300 -0.091 0.000 1.223 683 P CA -0.320 62.738 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 0.286 56.659 56.400 -0.045 0.000 0.937 684 E CB 0.173 29.859 29.700 -0.023 0.000 0.923 684 E HN 0.329 nan 8.360 nan 0.000 0.468 685 L N 6.073 127.262 121.223 -0.057 0.000 2.357 685 L HA 0.334 4.673 4.340 -0.000 0.000 0.273 685 L C -1.941 174.924 176.870 -0.008 0.000 1.080 685 L CA -2.150 52.666 54.840 -0.039 0.000 0.803 685 L CB 0.628 42.644 42.059 -0.073 0.000 1.174 685 L HN 0.357 nan 8.230 nan 0.000 0.443 686 P HA 0.113 nan 4.420 nan 0.000 0.271 686 P C -1.086 176.224 177.300 0.017 0.000 1.216 686 P CA -0.312 62.804 63.100 0.027 0.000 0.776 686 P CB 0.649 32.380 31.700 0.050 0.000 0.881 687 Q N 2.329 122.137 119.800 0.013 0.000 2.965 687 Q HA 0.278 4.618 4.340 -0.000 0.000 0.288 687 Q C -2.129 173.878 176.000 0.013 0.000 0.974 687 Q CA -1.597 54.210 55.803 0.008 0.000 0.849 687 Q CB 0.101 28.838 28.738 -0.001 0.000 1.280 687 Q HN 0.387 nan 8.270 nan 0.000 0.441 688 P HA -0.065 nan 4.420 nan 0.000 0.267 688 P C 0.048 177.360 177.300 0.019 0.000 1.195 688 P CA 0.148 63.263 63.100 0.024 0.000 0.773 688 P CB 1.268 32.989 31.700 0.034 0.000 0.837 689 E N 0.198 120.410 120.200 0.020 0.000 2.099 689 E HA 0.013 4.363 4.350 -0.000 0.000 0.191 689 E C 0.540 177.153 176.600 0.022 0.000 0.962 689 E CA 0.494 56.904 56.400 0.018 0.000 0.826 689 E CB -0.589 29.120 29.700 0.016 0.000 0.788 689 E HN 0.530 nan 8.360 nan 0.000 0.461 690 S N 1.530 117.246 115.700 0.026 0.000 2.542 690 S HA 0.129 4.599 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 0.177 58.396 58.200 0.032 0.000 1.037 690 S CB 0.442 63.663 63.200 0.035 0.000 0.822 690 S HN 0.309 nan 8.310 nan 0.000 0.513 691 A N 1.395 124.240 122.820 0.041 0.000 2.322 691 A HA 0.784 5.104 4.320 -0.000 0.000 0.269 691 A C 0.865 178.486 177.584 0.061 0.000 1.094 691 A CA 0.209 52.273 52.037 0.045 0.000 0.807 691 A CB -0.001 19.027 19.000 0.047 0.000 1.047 691 A HN 1.863 nan 8.150 nan 0.000 0.487 692 G N -0.244 108.594 108.800 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 -0.668 175.418 176.000 0.143 0.000 0.941 693 Q CA -0.725 55.115 55.803 0.063 0.000 0.912 693 Q CB 2.090 30.902 28.738 0.124 0.000 1.244 693 Q HN 0.497 nan 8.270 nan 0.000 0.441 694 L N 4.026 125.222 121.223 -0.045 0.000 2.264 694 L HA 0.479 4.818 4.340 -0.000 0.000 0.289 694 L C -1.784 175.061 176.870 -0.042 0.000 1.044 694 L CA 0.051 54.918 54.840 0.044 0.000 0.807 694 L CB 0.414 42.472 42.059 -0.002 0.000 1.192 694 L HN 0.572 nan 8.230 nan 0.000 0.425 695 W N 5.414 126.780 121.300 0.109 0.000 2.915 695 W HA 0.562 5.222 4.660 -0.000 0.000 0.337 695 W C -1.062 175.562 176.519 0.175 0.000 1.102 695 W CA -0.715 56.717 57.345 0.146 0.000 1.224 695 W CB 1.682 31.254 29.460 0.187 0.000 1.416 695 W HN 0.279 nan 8.180 nan 0.000 0.503 696 L N 2.918 124.440 121.223 0.500 0.000 2.295 696 L HA 0.811 5.151 4.340 -0.000 0.000 0.285 696 L C -0.376 176.799 176.870 0.508 0.000 1.035 696 L CA 0.098 55.200 54.840 0.437 0.000 0.806 696 L CB 1.341 43.602 42.059 0.336 0.000 1.214 696 L HN 0.368 nan 8.230 nan 0.000 0.426 697 T N 4.838 119.635 114.554 0.405 0.000 2.881 697 T HA 0.644 4.994 4.350 -0.000 0.000 0.290 697 T C -0.861 174.021 174.700 0.303 0.000 1.000 697 T CA -0.454 61.837 62.100 0.319 0.000 0.978 697 T CB 1.610 70.600 68.868 0.204 0.000 0.997 697 T HN 0.615 nan 8.240 nan 0.000 0.443 698 V N 1.545 121.592 119.914 0.222 0.000 2.715 698 V HA 0.893 5.013 4.120 -0.000 0.000 0.310 698 V C -0.626 175.523 176.094 0.091 0.000 1.054 698 V CA -1.075 61.316 62.300 0.150 0.000 0.928 698 V CB 1.927 33.754 31.823 0.007 0.000 1.007 698 V HN 0.809 nan 8.190 nan 0.000 0.437 699 R N 1.898 122.473 120.500 0.126 0.000 2.771 699 R HA 0.843 5.183 4.340 -0.000 0.000 0.274 699 R C -1.713 174.648 176.300 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 3.122 123.117 119.914 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 1.734 33.621 31.823 0.107 0.000 0.988 700 V HN 0.441 nan 8.190 nan 0.000 0.431 701 V N 4.225 124.094 119.914 -0.075 0.000 2.769 701 V HA 0.486 4.606 4.120 -0.000 0.000 0.312 701 V C -0.428 175.665 176.094 -0.002 0.000 1.061 701 V CA -0.845 61.405 62.300 -0.084 0.000 0.931 701 V CB 1.995 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 3.886 123.717 119.800 0.052 0.000 2.465 702 Q HA 0.278 4.618 4.340 -0.000 0.000 0.237 702 Q C -1.837 174.180 176.000 0.029 0.000 1.051 702 Q CA -1.810 54.036 55.803 0.071 0.000 0.874 702 Q CB 1.815 30.626 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 -0.533 176.769 177.300 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 -0.225 175.243 175.510 -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 0.020 nan 8.380 nan 0.000 0.480 705 A N 0.741 123.509 122.820 -0.087 0.000 2.327 705 A HA 0.536 4.856 4.320 -0.000 0.000 0.255 705 A C 0.578 178.039 177.584 -0.206 0.000 1.099 705 A CA -0.102 51.841 52.037 -0.156 0.000 0.801 705 A CB 0.062 18.989 19.000 -0.122 0.000 1.062 705 A HN 0.724 nan 8.150 nan 0.000 0.496 706 T N -3.862 110.478 114.554 -0.355 0.000 2.831 706 T HA 0.613 4.963 4.350 -0.000 0.000 0.287 706 T C 0.876 175.384 174.700 -0.320 0.000 1.070 706 T CA 0.069 61.934 62.100 -0.391 0.000 1.010 706 T CB 1.102 69.488 68.868 -0.804 0.000 1.264 706 T HN 1.427 nan 8.240 nan 0.000 0.532 707 A N -0.051 122.683 122.820 -0.144 0.000 2.121 707 A HA 0.109 4.429 4.320 -0.000 0.000 0.218 707 A C 1.559 179.254 177.584 0.186 0.000 1.154 707 A CA 1.108 53.199 52.037 0.090 0.000 0.679 707 A CB -0.867 18.281 19.000 0.246 0.000 0.795 707 A HN 0.914 nan 8.150 nan 0.000 0.458 708 W N -0.956 120.391 121.300 0.078 0.000 2.714 708 W HA 0.431 5.091 4.660 -0.000 0.000 0.353 708 W C -0.173 176.307 176.519 -0.065 0.000 0.999 708 W CA 0.440 57.793 57.345 0.013 0.000 1.629 708 W CB -1.130 28.325 29.460 -0.008 0.000 1.106 708 W HN 0.418 nan 8.180 nan 0.000 0.545 709 S N 0.235 115.450 115.700 -0.810 0.000 2.541 709 S HA 0.415 4.885 4.470 -0.000 0.000 0.271 709 S C -0.499 173.835 174.600 -0.444 0.000 1.133 709 S CA -0.630 57.126 58.200 -0.739 0.000 0.876 709 S CB 2.770 65.125 63.200 -1.409 0.000 1.105 709 S HN 0.039 nan 8.310 nan 0.000 0.470 710 E N 0.881 120.934 120.200 -0.245 0.000 2.369 710 E HA 0.517 4.866 4.350 -0.000 0.000 0.255 710 E C 0.485 177.034 176.600 -0.085 0.000 1.172 710 E CA -0.370 55.962 56.400 -0.114 0.000 0.932 710 E CB 0.946 30.630 29.700 -0.027 0.000 1.040 710 E HN 0.882 nan 8.360 nan 0.000 0.454 711 A N -0.341 122.451 122.820 -0.046 0.000 2.351 711 A HA 0.468 4.788 4.320 -0.000 0.000 0.257 711 A C 0.990 178.582 177.584 0.014 0.000 1.087 711 A CA 0.454 52.477 52.037 -0.024 0.000 0.798 711 A CB 0.020 19.008 19.000 -0.020 0.000 1.033 711 A HN 0.720 nan 8.150 nan 0.000 0.488 712 G N 0.008 108.822 108.800 0.022 0.000 2.147 712 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.244 712 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.244 712 G C 0.103 175.038 174.900 0.058 0.000 1.005 712 G CA 0.740 45.853 45.100 0.023 0.000 0.713 712 G HN 1.626 nan 8.290 nan 0.000 0.515 713 H N 0.170 119.229 119.070 -0.017 0.000 2.732 713 H HA 0.514 5.070 4.556 -0.000 0.000 0.351 713 H C 0.459 175.829 175.328 0.070 0.000 1.090 713 H CA -0.631 55.432 56.048 0.025 0.000 1.431 713 H CB 0.341 30.108 29.762 0.008 0.000 1.447 713 H HN 0.043 nan 8.280 nan 0.000 0.582 714 I N 4.739 125.030 120.570 -0.465 0.000 2.325 714 I HA 0.019 4.189 4.170 -0.000 0.000 0.291 714 I C 1.162 177.104 176.117 -0.292 0.000 1.019 714 I CA 0.066 61.211 61.300 -0.258 0.000 1.302 714 I CB 0.627 38.552 38.000 -0.125 0.000 1.401 714 I HN 0.829 nan 8.210 nan 0.000 0.485 715 S N 4.049 119.791 115.700 0.071 0.000 2.505 715 S HA 0.631 5.101 4.470 -0.000 0.000 0.216 715 S C 0.560 175.399 174.600 0.399 0.000 1.018 715 S CA 0.168 58.548 58.200 0.300 0.000 0.911 715 S CB 0.615 64.112 63.200 0.495 0.000 0.818 715 S HN 0.738 nan 8.310 nan 0.000 0.497 716 A N 0.497 123.583 122.820 0.442 0.000 2.605 716 A HA 0.652 4.972 4.320 -0.000 0.000 0.294 716 A C -1.759 176.161 177.584 0.561 0.000 1.062 716 A CA -0.904 51.393 52.037 0.433 0.000 0.682 716 A CB 0.396 19.687 19.000 0.486 0.000 1.278 716 A HN 0.897 nan 8.150 nan 0.000 0.410 717 W N 0.107 121.559 121.300 0.252 0.000 3.025 717 W HA 0.820 5.480 4.660 -0.000 0.000 0.343 717 W C -1.134 175.408 176.519 0.038 0.000 1.246 717 W CA -0.658 56.725 57.345 0.063 0.000 1.178 717 W CB 1.224 30.671 29.460 -0.022 0.000 1.463 717 W HN 1.088 nan 8.180 nan 0.000 0.578 718 Q N 1.665 121.486 119.800 0.035 0.000 2.545 718 Q HA 0.341 4.681 4.340 -0.000 0.000 0.273 718 Q C -1.635 174.145 176.000 -0.367 0.000 0.975 718 Q CA -0.595 55.061 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 2.945 122.483 119.800 -0.436 0.000 2.456 719 Q HA 0.663 5.003 4.340 -0.000 0.000 0.283 719 Q C -1.372 174.517 176.000 -0.185 0.000 1.084 719 Q CA -0.599 55.104 55.803 -0.166 0.000 0.801 719 Q CB 1.788 30.615 28.738 0.148 0.000 1.434 719 Q HN 0.670 nan 8.270 nan 0.000 0.419 720 W N 1.504 123.000 121.300 0.327 0.000 3.033 720 W HA 0.468 5.128 4.660 -0.000 0.000 0.336 720 W C -0.522 176.051 176.519 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 31.684 29.460 0.090 0.000 1.425 720 W HN 0.661 nan 8.180 nan 0.000 0.536 721 R N 2.367 122.817 120.500 -0.084 0.000 2.198 721 R HA 0.305 4.644 4.340 -0.000 0.000 0.339 721 R C 0.739 176.831 176.300 -0.346 0.000 1.020 721 R CA -0.163 55.483 56.100 -0.757 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 2.725 123.794 121.223 -0.256 0.000 2.049 722 L HA 0.195 4.535 4.340 -0.000 0.000 0.203 722 L C 0.939 177.712 176.870 -0.162 0.000 1.074 722 L CA 1.033 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 -0.424 51.529 52.037 -0.141 0.000 0.679 723 A CB 1.921 20.873 19.000 -0.081 0.000 1.285 723 A HN 0.054 nan 8.150 nan 0.000 0.428 724 E N 0.136 120.279 120.200 -0.096 0.000 2.304 724 E HA 0.425 4.775 4.350 -0.000 0.000 0.277 724 E C -1.813 174.769 176.600 -0.029 0.000 0.898 724 E CA -0.631 55.728 56.400 -0.067 0.000 0.764 724 E CB 1.377 31.033 29.700 -0.073 0.000 1.216 724 E HN 0.539 nan 8.360 nan 0.000 0.419 725 N N 4.421 123.118 118.700 -0.006 0.000 2.564 725 N HA 0.292 5.032 4.740 -0.000 0.000 0.248 725 N C -0.651 174.870 175.510 0.018 0.000 0.986 725 N CA -0.333 52.722 53.050 0.007 0.000 0.921 725 N CB 1.073 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 0.068 4.408 4.340 -0.000 0.000 0.274 726 L C 1.153 178.041 176.870 0.030 0.000 1.201 726 L CA 0.288 55.143 54.840 0.025 0.000 0.869 726 L CB 0.509 42.581 42.059 0.021 0.000 1.123 726 L HN 0.353 nan 8.230 nan 0.000 0.484 727 S N 2.058 117.782 115.700 0.040 0.000 2.439 727 S HA 0.256 4.726 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 -0.912 57.312 58.200 0.041 0.000 1.054 727 S CB 0.720 63.950 63.200 0.050 0.000 0.956 727 S HN 0.437 nan 8.310 nan 0.000 0.490 728 V N 2.791 122.724 119.914 0.031 0.000 3.177 728 V HA 0.321 4.441 4.120 -0.000 0.000 0.342 728 V C 0.776 176.887 176.094 0.029 0.000 1.379 728 V CA -0.081 62.236 62.300 0.028 0.000 1.191 728 V CB -1.148 30.688 31.823 0.023 0.000 1.167 728 V HN 0.835 nan 8.190 nan 0.000 0.471 729 T N -0.187 114.386 114.554 0.032 0.000 2.902 729 T HA 0.778 5.128 4.350 -0.000 0.000 0.280 729 T C -0.534 174.185 174.700 0.032 0.000 0.992 729 T CA -0.593 61.526 62.100 0.030 0.000 1.015 729 T CB 1.984 70.870 68.868 0.030 0.000 1.044 729 T HN 0.220 nan 8.240 nan 0.000 0.520 730 L N 1.738 122.978 121.223 0.029 0.000 2.334 730 L HA 0.568 4.908 4.340 -0.000 0.000 0.276 730 L C -2.059 174.828 176.870 0.028 0.000 1.014 730 L CA -2.116 52.742 54.840 0.029 0.000 0.815 730 L CB 0.648 42.722 42.059 0.025 0.000 1.268 730 L HN 0.578 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 3.307 126.137 122.820 0.017 0.000 2.406 732 A HA 0.496 4.816 4.320 -0.000 0.000 0.243 732 A C 0.711 178.302 177.584 0.012 0.000 1.082 732 A CA -0.050 51.998 52.037 0.019 0.000 0.786 732 A CB -0.258 18.754 19.000 0.020 0.000 1.029 732 A HN 0.743 nan 8.150 nan 0.000 0.495 733 A N 1.080 123.919 122.820 0.032 0.000 2.466 733 A HA 0.499 4.819 4.320 -0.000 0.000 0.238 733 A C 0.761 178.338 177.584 -0.012 0.000 1.074 733 A CA 0.457 52.518 52.037 0.041 0.000 0.774 733 A CB -0.364 18.689 19.000 0.087 0.000 1.015 733 A HN 1.546 nan 8.150 nan 0.000 0.498 734 S N 0.156 115.848 115.700 -0.013 0.000 2.593 734 S HA 0.514 4.984 4.470 -0.000 0.000 0.297 734 S C 0.063 174.688 174.600 0.041 0.000 1.112 734 S CA -0.720 57.416 58.200 -0.107 0.000 1.043 734 S CB 0.903 64.071 63.200 -0.053 0.000 1.054 734 S HN 0.649 nan 8.310 nan 0.000 0.516 735 H N 0.243 119.323 119.070 0.016 0.000 2.539 735 H HA 0.609 5.164 4.556 -0.000 0.000 0.267 735 H C 0.654 175.989 175.328 0.012 0.000 0.982 735 H CA 0.445 56.500 56.048 0.012 0.000 1.146 735 H CB -0.297 29.471 29.762 0.010 0.000 1.382 735 H HN 0.792 nan 8.280 nan 0.000 0.577 736 A N 0.584 123.465 122.820 0.101 0.000 2.557 736 A HA 0.659 4.979 4.320 -0.000 0.000 0.292 736 A C -1.132 176.481 177.584 0.048 0.000 1.139 736 A CA -0.715 51.363 52.037 0.069 0.000 0.665 736 A CB 1.341 20.381 19.000 0.067 0.000 1.285 736 A HN 0.205 nan 8.150 nan 0.000 0.433 737 I N -1.632 118.966 120.570 0.046 0.000 2.802 737 I HA 0.743 4.913 4.170 -0.000 0.000 0.298 737 I C -2.909 173.248 176.117 0.067 0.000 1.176 737 I CA -2.546 58.779 61.300 0.042 0.000 1.025 737 I CB 2.452 40.468 38.000 0.026 0.000 1.243 737 I HN 0.402 nan 8.210 nan 0.000 0.424 738 P HA -0.028 nan 4.420 nan 0.000 0.267 738 P C -1.306 176.087 177.300 0.154 0.000 1.195 738 P CA 0.478 63.637 63.100 0.098 0.000 0.773 738 P CB 0.149 31.860 31.700 0.019 0.000 0.837 739 H N 2.040 121.139 119.070 0.049 0.000 2.587 739 H HA 0.356 4.911 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 -1.142 54.926 56.048 0.034 0.000 1.213 739 H CB 0.861 30.644 29.762 0.036 0.000 1.431 739 H HN 0.196 nan 8.280 nan 0.000 0.492 740 L N 4.445 125.628 121.223 -0.068 0.000 2.453 740 L HA 0.329 4.669 4.340 -0.000 0.000 0.261 740 L C -0.634 176.062 176.870 -0.289 0.000 1.179 740 L CA 0.395 55.139 54.840 -0.160 0.000 0.813 740 L CB 1.395 43.400 42.059 -0.091 0.000 1.110 740 L HN 0.746 nan 8.230 nan 0.000 0.466 741 T N 2.548 117.020 114.554 -0.136 0.000 3.548 741 T HA 0.266 4.616 4.350 -0.000 0.000 0.329 741 T C -0.398 174.357 174.700 0.092 0.000 0.960 741 T CA -0.554 61.503 62.100 -0.071 0.000 1.041 741 T CB 0.866 69.650 68.868 -0.140 0.000 1.065 741 T HN 0.725 nan 8.240 nan 0.000 0.459 742 T N 2.479 117.115 114.554 0.135 0.000 2.816 742 T HA 0.775 5.124 4.350 -0.000 0.000 0.282 742 T C 0.390 175.163 174.700 0.122 0.000 0.993 742 T CA -0.520 61.727 62.100 0.245 0.000 0.994 742 T CB 1.298 70.325 68.868 0.266 0.000 1.025 742 T HN 0.713 nan 8.240 nan 0.000 0.529 743 S N -1.065 114.680 115.700 0.074 0.000 2.703 743 S HA 0.300 4.770 4.470 -0.000 0.000 0.273 743 S C 0.423 174.997 174.600 -0.044 0.000 1.178 743 S CA -0.637 57.569 58.200 0.010 0.000 0.838 743 S CB 1.181 64.384 63.200 0.004 0.000 1.178 743 S HN 0.719 nan 8.310 nan 0.000 0.494 744 E N -0.200 119.974 120.200 -0.045 0.000 2.112 744 E HA 0.017 4.367 4.350 -0.000 0.000 0.190 744 E C 1.426 177.958 176.600 -0.113 0.000 0.979 744 E CA 0.943 57.303 56.400 -0.066 0.000 0.814 744 E CB -0.068 29.609 29.700 -0.038 0.000 0.762 744 E HN 0.558 nan 8.360 nan 0.000 0.460 745 M N 0.911 120.456 119.600 -0.092 0.000 2.476 745 M HA 0.100 4.580 4.480 -0.000 0.000 0.262 745 M C -0.126 176.087 176.300 -0.144 0.000 1.111 745 M CA 0.808 56.053 55.300 -0.092 0.000 1.127 745 M CB -0.588 31.990 32.600 -0.036 0.000 1.376 745 M HN 0.047 nan 8.290 nan 0.000 0.465 746 D N -1.932 118.358 120.400 -0.183 0.000 2.865 746 D HA 0.444 5.084 4.640 -0.000 0.000 0.343 746 D C -0.977 175.203 176.300 -0.201 0.000 1.372 746 D CA -0.708 53.153 54.000 -0.232 0.000 0.862 746 D CB 0.630 41.424 40.800 -0.010 0.000 1.425 746 D HN -0.031 nan 8.370 nan 0.000 0.501 750 E N 4.582 124.916 120.200 0.224 0.000 2.288 750 E HA 0.877 5.227 4.350 -0.000 0.000 0.268 750 E C -1.774 174.987 176.600 0.270 0.000 0.885 750 E CA -0.833 55.702 56.400 0.225 0.000 0.767 750 E CB 2.791 32.546 29.700 0.092 0.000 1.220 750 E HN 0.560 nan 8.360 nan 0.000 0.427 751 L N 4.139 125.513 121.223 0.251 0.000 2.811 751 L HA 0.461 4.800 4.340 -0.000 0.000 0.251 751 L C -0.108 176.835 176.870 0.121 0.000 0.971 751 L CA 0.770 55.738 54.840 0.214 0.000 0.990 751 L CB 0.959 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 3.658 112.501 108.800 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 0.591 175.487 174.900 -0.008 0.000 1.175 752 G CA 0.475 45.592 45.100 0.028 0.000 0.962 752 G HN 1.011 nan 8.290 nan 0.000 0.560 753 N N 0.968 119.648 118.700 -0.032 0.000 2.459 753 N HA 0.017 4.756 4.740 -0.000 0.000 0.181 753 N C 0.796 176.241 175.510 -0.108 0.000 1.046 753 N CA 1.432 54.444 53.050 -0.063 0.000 0.904 753 N CB -0.122 38.330 38.487 -0.058 0.000 0.964 753 N HN 0.763 nan 8.380 nan 0.000 0.444 754 K N 0.360 120.677 120.400 -0.138 0.000 2.298 754 K HA 0.327 4.647 4.320 -0.000 0.000 0.280 754 K C -0.195 176.190 176.600 -0.359 0.000 1.032 754 K CA -0.177 55.904 56.287 -0.344 0.000 0.958 754 K CB 1.142 33.370 32.500 -0.454 0.000 0.978 754 K HN 0.040 nan 8.250 nan 0.000 0.472 755 R N 1.858 122.042 120.500 -0.527 0.000 2.626 755 R HA 0.368 4.707 4.340 -0.000 0.000 0.274 755 R C -1.654 174.518 176.300 -0.214 0.000 1.031 755 R CA -0.640 55.345 56.100 -0.192 0.000 0.898 755 R CB 1.312 31.555 30.300 -0.095 0.000 1.222 755 R HN 0.595 nan 8.270 nan 0.000 0.455 756 W N 3.224 124.623 121.300 0.165 0.000 2.883 756 W HA 0.335 4.995 4.660 -0.000 0.000 0.335 756 W C -0.716 175.883 176.519 0.133 0.000 1.083 756 W CA -0.562 56.838 57.345 0.092 0.000 1.233 756 W CB 2.240 31.727 29.460 0.046 0.000 1.412 756 W HN 0.476 nan 8.180 nan 0.000 0.490 757 Q N 2.481 122.420 119.800 0.232 0.000 2.356 757 Q HA 0.521 4.861 4.340 -0.000 0.000 0.270 757 Q C -2.094 173.860 176.000 -0.077 0.000 1.058 757 Q CA -0.508 55.421 55.803 0.210 0.000 0.802 757 Q CB 1.910 30.835 28.738 0.311 0.000 1.303 757 Q HN 0.348 nan 8.270 nan 0.000 0.444 758 F N 2.761 122.800 119.950 0.148 0.000 2.402 758 F HA 0.313 4.840 4.527 -0.000 0.000 0.355 758 F C 0.524 176.340 175.800 0.027 0.000 1.123 758 F CA -0.870 57.183 58.000 0.088 0.000 1.021 758 F CB 1.442 40.507 39.000 0.108 0.000 1.160 758 F HN 0.561 nan 8.300 nan 0.000 0.451 759 N N 3.641 122.435 118.700 0.156 0.000 2.475 759 N HA 0.053 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 0.076 53.164 53.050 0.064 0.000 0.947 759 N CB 0.751 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 2.369 122.792 120.500 -0.129 0.000 2.276 760 R HA -0.063 4.277 4.340 -0.000 0.000 0.203 760 R C 1.126 177.350 176.300 -0.127 0.000 1.017 760 R CA 0.998 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 -0.658 119.101 119.800 -0.068 0.000 2.204 761 Q HA -0.009 4.331 4.340 -0.000 0.000 0.198 761 Q C 2.082 178.061 176.000 -0.034 0.000 0.946 761 Q CA 1.524 57.298 55.803 -0.048 0.000 0.859 761 Q CB 0.345 29.073 28.738 -0.016 0.000 0.946 761 Q HN 0.249 nan 8.270 nan 0.000 0.474 762 S N -1.406 114.299 115.700 0.009 0.000 2.458 762 S HA 0.184 4.654 4.470 -0.000 0.000 0.223 762 S C 1.619 176.116 174.600 -0.173 0.000 1.019 762 S CA 0.507 58.734 58.200 0.045 0.000 0.937 762 S CB 0.131 63.483 63.200 0.253 0.000 0.788 762 S HN 0.457 nan 8.310 nan 0.000 0.511 763 G N 0.380 109.100 108.800 -0.133 0.000 2.148 763 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.254 763 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.254 763 G C -0.096 174.666 174.900 -0.230 0.000 0.981 763 G CA 0.372 45.368 45.100 -0.174 0.000 0.670 763 G HN 0.536 nan 8.290 nan 0.000 0.528 764 F N -1.307 118.822 119.950 0.299 0.000 2.541 764 F HA 0.683 5.210 4.527 -0.000 0.000 0.331 764 F C 0.512 176.372 175.800 0.099 0.000 1.057 764 F CA -1.444 56.705 58.000 0.248 0.000 0.975 764 F CB 1.316 40.413 39.000 0.162 0.000 1.246 764 F HN 0.007 nan 8.300 nan 0.000 0.484 765 L N 1.536 122.853 121.223 0.158 0.000 2.485 765 L HA 0.222 4.561 4.340 -0.000 0.000 0.279 765 L C 0.584 177.360 176.870 -0.156 0.000 1.124 765 L CA 0.664 55.213 54.840 -0.485 0.000 0.888 765 L CB 0.119 41.870 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 0.106 4.576 4.470 -0.000 0.000 0.225 766 S C 0.457 174.961 174.600 -0.159 0.000 1.024 766 S CA 0.429 58.590 58.200 -0.065 0.000 0.951 766 S CB -0.043 63.158 63.200 0.001 0.000 0.796 766 S HN 0.737 nan 8.310 nan 0.000 0.498 767 Q N -0.247 119.407 119.800 -0.245 0.000 2.633 767 Q HA 0.650 4.990 4.340 -0.000 0.000 0.289 767 Q C -1.647 174.044 176.000 -0.516 0.000 0.940 767 Q CA -0.641 54.894 55.803 -0.448 0.000 0.785 767 Q CB 1.409 29.761 28.738 -0.643 0.000 1.467 767 Q HN 0.282 nan 8.270 nan 0.000 0.401 768 M N 0.070 119.220 119.600 -0.751 0.000 2.465 768 M HA 0.771 5.251 4.480 -0.000 0.000 0.284 768 M C -1.952 173.936 176.300 -0.687 0.000 1.212 768 M CA -0.330 54.621 55.300 -0.582 0.000 0.910 768 M CB 1.962 34.242 32.600 -0.534 0.000 1.725 768 M HN 0.508 nan 8.290 nan 0.000 0.477 769 W N 3.038 124.109 121.300 -0.382 0.000 2.864 769 W HA 0.704 5.364 4.660 -0.000 0.000 0.343 769 W C -1.535 174.779 176.519 -0.341 0.000 1.109 769 W CA -0.884 56.289 57.345 -0.287 0.000 1.192 769 W CB 2.060 31.385 29.460 -0.225 0.000 1.426 769 W HN 0.584 nan 8.180 nan 0.000 0.529 770 I N 2.420 122.993 120.570 0.006 0.000 2.448 770 I HA 0.437 4.607 4.170 -0.000 0.000 0.281 770 I C 0.727 176.838 176.117 -0.011 0.000 1.027 770 I CA 0.163 61.418 61.300 -0.075 0.000 1.111 770 I CB 1.130 39.056 38.000 -0.124 0.000 1.236 770 I HN 0.710 nan 8.210 nan 0.000 0.452 771 G N 5.583 114.370 108.800 -0.022 0.000 2.531 771 G HA2 -0.295 3.664 3.960 -0.000 0.000 0.274 771 G HA3 -0.295 3.664 3.960 -0.000 0.000 0.274 771 G C 0.292 175.211 174.900 0.032 0.000 1.159 771 G CA 0.475 45.566 45.100 -0.015 0.000 0.969 771 G HN 0.740 nan 8.290 nan 0.000 0.554 772 D N 0.948 121.380 120.400 0.053 0.000 2.363 772 D HA 0.244 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 54.278 54.000 0.107 0.000 0.837 772 D CB 0.246 41.068 40.800 0.036 0.000 0.948 772 D HN 0.482 nan 8.370 nan 0.000 0.507 773 K N 1.024 121.524 120.400 0.167 0.000 2.234 773 K HA 0.285 4.604 4.320 -0.000 0.000 0.277 773 K C -0.006 176.564 176.600 -0.050 0.000 1.038 773 K CA -0.470 55.855 56.287 0.064 0.000 0.888 773 K CB 1.714 34.210 32.500 -0.007 0.000 1.091 773 K HN -0.125 nan 8.250 nan 0.000 0.467 774 K N 1.908 122.188 120.400 -0.200 0.000 2.295 774 K HA 0.034 4.354 4.320 -0.000 0.000 0.270 774 K C 0.768 177.152 176.600 -0.360 0.000 1.011 774 K CA -0.186 55.757 56.287 -0.573 0.000 0.953 774 K CB 0.689 32.908 32.500 -0.468 0.000 0.956 774 K HN 0.430 nan 8.250 nan 0.000 0.477 775 Q N 1.042 120.599 119.800 -0.404 0.000 2.316 775 Q HA 0.206 4.546 4.340 -0.000 0.000 0.235 775 Q C -0.124 175.782 176.000 -0.155 0.000 0.863 775 Q CA 0.431 56.120 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 0.356 121.436 121.223 -0.239 0.000 2.362 776 L HA 0.412 4.751 4.340 -0.000 0.000 0.271 776 L C 0.727 177.471 176.870 -0.211 0.000 1.002 776 L CA -0.463 54.264 54.840 -0.190 0.000 0.818 776 L CB 1.663 43.619 42.059 -0.172 0.000 1.298 776 L HN -0.148 nan 8.230 nan 0.000 0.420 777 L N 0.067 121.158 121.223 -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 55.455 54.840 -0.209 0.000 0.851 777 L CB 0.273 42.186 42.059 -0.244 0.000 0.994 777 L HN 0.619 nan 8.230 nan 0.000 0.462 778 T N -0.258 114.174 114.554 -0.204 0.000 2.916 778 T HA 0.419 4.769 4.350 -0.000 0.000 0.305 778 T C -2.686 171.959 174.700 -0.092 0.000 1.119 778 T CA -1.277 60.744 62.100 -0.131 0.000 1.008 778 T CB 2.323 71.090 68.868 -0.168 0.000 1.129 778 T HN -0.280 nan 8.240 nan 0.000 0.480 779 P HA 0.268 nan 4.420 nan 0.000 0.272 779 P C -0.763 176.509 177.300 -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 3.916 125.147 121.223 0.014 0.000 2.369 780 L HA 0.251 4.591 4.340 -0.000 0.000 0.279 780 L C 0.542 177.359 176.870 -0.089 0.000 1.108 780 L CA 0.459 55.331 54.840 0.054 0.000 0.852 780 L CB -0.781 41.419 42.059 0.235 0.000 1.169 780 L HN 0.463 nan 8.230 nan 0.000 0.452 781 R N 1.958 122.353 120.500 -0.176 0.000 2.799 781 R HA 0.616 4.956 4.340 -0.000 0.000 0.270 781 R C -1.085 175.093 176.300 -0.203 0.000 1.010 781 R CA -1.107 54.787 56.100 -0.343 0.000 0.916 781 R CB 0.632 30.370 30.300 -0.937 0.000 1.228 781 R HN 0.373 nan 8.270 nan 0.000 0.469 782 D N 0.899 121.208 120.400 -0.151 0.000 2.423 782 D HA 0.045 4.685 4.640 -0.000 0.000 0.238 782 D C -0.638 175.279 176.300 -0.639 0.000 1.142 782 D CA 0.556 54.336 54.000 -0.366 0.000 0.884 782 D CB 0.704 41.295 40.800 -0.347 0.000 1.199 782 D HN 0.351 nan 8.370 nan 0.000 0.438 783 Q N 1.643 120.855 119.800 -0.981 0.000 2.289 783 Q HA 0.310 4.650 4.340 -0.000 0.000 0.270 783 Q C -1.209 174.058 176.000 -1.222 0.000 1.038 783 Q CA -0.592 54.689 55.803 -0.869 0.000 0.812 783 Q CB 0.850 29.308 28.738 -0.466 0.000 1.300 783 Q HN 0.562 nan 8.270 nan 0.000 0.427 784 F N 0.571 120.192 119.950 -0.548 0.000 2.706 784 F HA 0.177 4.704 4.527 -0.000 0.000 0.313 784 F C 0.884 176.304 175.800 -0.633 0.000 1.096 784 F CA -0.079 57.505 58.000 -0.695 0.000 1.219 784 F CB 1.508 39.893 39.000 -1.025 0.000 1.051 784 F HN 0.490 nan 8.300 nan 0.000 0.568 785 T N -0.792 113.507 114.554 -0.424 0.000 2.883 785 T HA 0.754 5.103 4.350 -0.000 0.000 0.284 785 T C -0.488 173.974 174.700 -0.397 0.000 1.041 785 T CA -0.926 60.837 62.100 -0.562 0.000 1.007 785 T CB 2.583 71.070 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 5.077 4.340 -0.000 0.000 0.272 786 R C -1.162 175.182 176.300 0.075 0.000 1.000 786 R CA -1.184 54.844 56.100 -0.121 0.000 0.906 786 R CB 1.490 31.726 30.300 -0.106 0.000 1.227 786 R HN 0.823 nan 8.270 nan 0.000 0.468 787 A N 3.390 126.242 122.820 0.054 0.000 2.444 787 A HA 0.324 4.644 4.320 -0.000 0.000 0.287 787 A C -2.028 175.614 177.584 0.097 0.000 1.195 787 A CA -1.553 50.519 52.037 0.059 0.000 0.858 787 A CB -0.471 18.515 19.000 -0.023 0.000 1.117 787 A HN 0.538 nan 8.150 nan 0.000 0.521 788 P HA -0.051 nan 4.420 nan 0.000 0.261 788 P C -0.207 177.195 177.300 0.170 0.000 1.158 788 P CA 0.768 64.019 63.100 0.251 0.000 0.758 788 P CB 0.223 32.097 31.700 0.289 0.000 0.763 789 L N 2.471 123.768 121.223 0.124 0.000 2.454 789 L HA 0.210 4.550 4.340 -0.000 0.000 0.256 789 L C 1.856 178.741 176.870 0.024 0.000 1.136 789 L CA -0.585 54.267 54.840 0.019 0.000 0.804 789 L CB 0.070 42.075 42.059 -0.091 0.000 1.181 789 L HN 0.288 nan 8.230 nan 0.000 0.469 790 D N 0.435 120.790 120.400 -0.075 0.000 2.116 790 D HA -0.170 4.469 4.640 -0.000 0.000 0.193 790 D C 1.631 177.866 176.300 -0.108 0.000 0.998 790 D CA 1.499 55.389 54.000 -0.183 0.000 0.836 790 D CB 0.044 40.648 40.800 -0.327 0.000 0.951 790 D HN 0.489 nan 8.370 nan 0.000 0.449 791 N N 1.136 119.786 118.700 -0.083 0.000 2.223 791 N HA -0.126 4.614 4.740 -0.000 0.000 0.185 791 N C 1.192 176.724 175.510 0.036 0.000 1.016 791 N CA 0.782 53.814 53.050 -0.029 0.000 0.863 791 N CB -0.296 38.160 38.487 -0.052 0.000 0.983 791 N HN 0.252 nan 8.380 nan 0.000 0.429 792 D N 0.175 120.611 120.400 0.060 0.000 2.264 792 D HA 0.013 4.653 4.640 -0.000 0.000 0.208 792 D C 1.893 178.262 176.300 0.114 0.000 0.966 792 D CA 0.432 54.510 54.000 0.131 0.000 0.864 792 D CB 0.151 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 -0.414 120.203 120.570 0.077 0.000 2.729 793 I HA 0.110 4.280 4.170 -0.000 0.000 0.256 793 I C 1.892 178.044 176.117 0.058 0.000 1.115 793 I CA 0.605 61.940 61.300 0.059 0.000 1.446 793 I CB -0.149 37.864 38.000 0.021 0.000 1.176 793 I HN 0.072 nan 8.210 nan 0.000 0.446 794 G N 1.420 110.266 108.800 0.077 0.000 2.565 794 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.295 794 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.295 794 G C 0.689 175.756 174.900 0.279 0.000 1.165 794 G CA 0.932 46.141 45.100 0.181 0.000 0.977 794 G HN 0.655 nan 8.290 nan 0.000 0.546 795 V N -2.211 117.807 119.914 0.173 0.000 3.214 795 V HA 0.704 4.824 4.120 -0.000 0.000 0.330 795 V C 0.952 177.068 176.094 0.037 0.000 1.403 795 V CA 1.026 63.386 62.300 0.099 0.000 1.143 795 V CB 0.331 32.116 31.823 -0.063 0.000 1.098 795 V HN 1.254 nan 8.190 nan 0.000 0.463 796 S N 1.321 117.046 115.700 0.042 0.000 2.533 796 S HA 0.360 4.830 4.470 -0.000 0.000 0.282 796 S C -0.148 174.467 174.600 0.026 0.000 1.304 796 S CA 0.191 58.402 58.200 0.018 0.000 1.063 796 S CB 0.465 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 1.857 122.065 120.200 0.014 0.000 2.343 797 E HA 0.618 4.968 4.350 -0.000 0.000 0.270 797 E C 0.638 177.251 176.600 0.021 0.000 0.895 797 E CA -0.387 56.026 56.400 0.022 0.000 0.767 797 E CB 1.517 31.224 29.700 0.012 0.000 1.248 797 E HN 0.626 nan 8.360 nan 0.000 0.440 798 A N 1.460 124.299 122.820 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 54.845 52.037 0.031 0.000 0.638 798 A CB -1.234 17.791 19.000 0.041 0.000 0.823 798 A HN 0.751 nan 8.150 nan 0.000 0.451 799 T N -2.326 112.240 114.554 0.019 0.000 2.701 799 T HA -0.090 4.260 4.350 -0.000 0.000 0.263 799 T C 1.187 175.888 174.700 0.000 0.000 1.040 799 T CA 1.295 63.402 62.100 0.011 0.000 1.147 799 T CB -0.125 68.749 68.868 0.009 0.000 0.865 799 T HN 0.346 nan 8.240 nan 0.000 0.426 800 R N 0.549 121.046 120.500 -0.005 0.000 2.402 800 R HA 0.504 4.843 4.340 -0.000 0.000 0.290 800 R C -1.118 175.173 176.300 -0.016 0.000 1.321 800 R CA -0.557 55.533 56.100 -0.017 0.000 1.283 800 R CB 0.203 30.484 30.300 -0.031 0.000 1.111 800 R HN 0.414 nan 8.270 nan 0.000 0.578 801 I N 1.851 122.414 120.570 -0.011 0.000 2.634 801 I HA -0.056 4.114 4.170 -0.000 0.000 0.284 801 I C 0.240 176.342 176.117 -0.025 0.000 1.124 801 I CA 0.529 61.822 61.300 -0.011 0.000 1.417 801 I CB 0.805 38.801 38.000 -0.006 0.000 1.396 801 I HN 0.397 nan 8.210 nan 0.000 0.571 802 D N 8.676 129.059 120.400 -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 41.922 40.800 -0.039 0.000 1.026 802 D HN 0.133 nan 8.370 nan 0.000 0.515 803 P HA -0.170 nan 4.420 nan 0.000 0.219 803 P C 0.429 177.637 177.300 -0.154 0.000 1.144 803 P CA 1.040 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 0.093 52.989 53.050 -0.257 0.000 0.885 804 N CB -0.067 38.284 38.487 -0.227 0.000 0.977 804 N HN 0.097 nan 8.380 nan 0.000 0.462 805 A N 0.669 123.349 122.820 -0.234 0.000 2.540 805 A HA 0.019 4.339 4.320 -0.000 0.000 0.239 805 A C 0.764 178.143 177.584 -0.342 0.000 1.061 805 A CA -0.339 51.566 52.037 -0.220 0.000 0.758 805 A CB -0.011 18.939 19.000 -0.082 0.000 0.991 805 A HN 0.334 nan 8.150 nan 0.000 0.502 806 W N 1.920 122.957 121.300 -0.439 0.000 2.302 806 W HA -0.224 4.436 4.660 -0.000 0.000 0.320 806 W C 2.271 178.246 176.519 -0.907 0.000 1.241 806 W CA 1.936 58.734 57.345 -0.911 0.000 1.264 806 W CB -0.478 28.292 29.460 -1.149 0.000 1.154 806 W HN 0.564 nan 8.180 nan 0.000 0.483 807 V N 0.776 120.609 119.914 -0.134 0.000 2.324 807 V HA -0.315 3.805 4.120 -0.000 0.000 0.250 807 V C 2.287 178.487 176.094 0.177 0.000 1.060 807 V CA 2.282 64.731 62.300 0.248 0.000 1.042 807 V CB -0.474 31.513 31.823 0.273 0.000 0.650 807 V HN 0.092 nan 8.190 nan 0.000 0.450 808 E N 0.164 120.369 120.200 0.008 0.000 2.051 808 E HA -0.193 4.157 4.350 -0.000 0.000 0.192 808 E C 2.352 178.932 176.600 -0.034 0.000 0.991 808 E CA 1.506 57.901 56.400 -0.009 0.000 0.799 808 E CB -0.394 29.271 29.700 -0.059 0.000 0.748 808 E HN 0.660 nan 8.360 nan 0.000 0.449 809 R N -0.393 120.008 120.500 -0.164 0.000 2.075 809 R HA -0.112 4.228 4.340 -0.000 0.000 0.232 809 R C 2.314 178.570 176.300 -0.074 0.000 1.126 809 R CA 1.066 57.051 56.100 -0.192 0.000 0.963 809 R CB -0.432 29.637 30.300 -0.385 0.000 0.858 809 R HN 0.254 nan 8.270 nan 0.000 0.435 810 W N 2.121 123.379 121.300 -0.070 0.000 2.358 810 W HA -0.056 4.604 4.660 -0.000 0.000 0.303 810 W C 2.071 178.546 176.519 -0.074 0.000 1.208 810 W CA 0.475 57.681 57.345 -0.232 0.000 1.274 810 W CB -0.590 28.869 29.460 -0.001 0.000 1.138 810 W HN 0.119 nan 8.180 nan 0.000 0.515 811 K N -0.093 120.534 120.400 0.378 0.000 1.985 811 K HA -0.125 4.195 4.320 -0.000 0.000 0.210 811 K C 2.203 178.883 176.600 0.134 0.000 1.047 811 K CA 1.752 58.226 56.287 0.312 0.000 0.932 811 K CB -0.691 31.939 32.500 0.218 0.000 0.716 811 K HN -0.015 nan 8.250 nan 0.000 0.439 812 A N 1.281 124.147 122.820 0.076 0.000 1.978 812 A HA -0.147 4.173 4.320 -0.000 0.000 0.220 812 A C 2.214 179.803 177.584 0.008 0.000 1.170 812 A CA 1.951 54.011 52.037 0.038 0.000 0.636 812 A CB -0.529 18.477 19.000 0.010 0.000 0.810 812 A HN 0.395 nan 8.150 nan 0.000 0.448 813 A N -2.065 120.738 122.820 -0.029 0.000 2.119 813 A HA 0.379 4.699 4.320 -0.000 0.000 0.216 813 A C 1.932 179.427 177.584 -0.149 0.000 1.152 813 A CA 1.341 53.357 52.037 -0.035 0.000 0.708 813 A CB -0.812 18.145 19.000 -0.072 0.000 0.805 813 A HN 1.913 nan 8.150 nan 0.000 0.460 814 G N -1.861 106.801 108.800 -0.229 0.000 2.141 814 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.242 814 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.242 814 G C 0.623 175.483 174.900 -0.067 0.000 0.982 814 G CA 0.671 45.436 45.100 -0.558 0.000 0.662 814 G HN 0.722 nan 8.290 nan 0.000 0.527 815 H N -1.240 117.781 119.070 -0.082 0.000 2.353 815 H HA -0.133 4.423 4.556 -0.000 0.000 0.298 815 H C 2.191 177.477 175.328 -0.070 0.000 1.103 815 H CA 1.672 57.678 56.048 -0.069 0.000 1.293 815 H CB 0.033 29.693 29.762 -0.171 0.000 1.372 815 H HN 0.597 nan 8.280 nan 0.000 0.501 816 Y N 0.799 121.214 120.300 0.193 0.000 2.571 816 Y HA -0.124 4.426 4.550 -0.000 0.000 0.294 816 Y C 1.644 177.623 175.900 0.131 0.000 1.141 816 Y CA 0.800 58.978 58.100 0.129 0.000 1.308 816 Y CB 0.323 38.846 38.460 0.105 0.000 1.002 816 Y HN 0.402 nan 8.280 nan 0.000 0.551 817 Q N -0.978 118.978 119.800 0.260 0.000 2.063 817 Q HA 0.473 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 0.308 29.191 28.738 0.240 0.000 1.232 817 Q HN 0.110 nan 8.270 nan 0.000 0.445 818 A N 1.103 124.103 122.820 0.301 0.000 2.351 818 A HA 0.386 4.705 4.320 -0.000 0.000 0.257 818 A C -0.098 177.734 177.584 0.414 0.000 1.087 818 A CA -0.179 52.075 52.037 0.362 0.000 0.798 818 A CB 0.522 19.724 19.000 0.336 0.000 1.033 818 A HN 0.308 nan 8.150 nan 0.000 0.488 819 E N 0.614 120.997 120.200 0.306 0.000 2.133 819 E HA 0.481 4.831 4.350 -0.000 0.000 0.274 819 E C -0.069 176.514 176.600 -0.029 0.000 0.930 819 E CA -0.216 56.289 56.400 0.175 0.000 0.770 819 E CB 1.712 31.481 29.700 0.115 0.000 1.104 819 E HN 0.730 nan 8.360 nan 0.000 0.403 820 A N 2.365 125.047 122.820 -0.231 0.000 2.407 820 A HA 0.600 4.920 4.320 -0.000 0.000 0.248 820 A C -0.230 177.181 177.584 -0.288 0.000 1.082 820 A CA -0.062 51.533 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 2.068 124.714 122.820 -0.290 0.000 2.375 821 A HA 0.553 4.873 4.320 -0.000 0.000 0.295 821 A C -0.697 176.782 177.584 -0.175 0.000 1.066 821 A CA -0.566 51.385 52.037 -0.144 0.000 0.722 821 A CB 0.725 19.667 19.000 -0.097 0.000 1.206 821 A HN 1.069 nan 8.150 nan 0.000 0.435 822 L N 3.340 124.439 121.223 -0.206 0.000 2.462 822 L HA 0.207 4.547 4.340 -0.000 0.000 0.272 822 L C 0.626 177.348 176.870 -0.246 0.000 1.166 822 L CA 0.070 54.678 54.840 -0.386 0.000 0.880 822 L CB 0.142 42.003 42.059 -0.330 0.000 1.142 822 L HN 0.835 nan 8.230 nan 0.000 0.473 823 L N 3.638 124.708 121.223 -0.255 0.000 2.425 823 L HA 0.199 4.539 4.340 -0.000 0.000 0.215 823 L C 0.447 177.249 176.870 -0.113 0.000 1.065 823 L CA 0.190 54.954 54.840 -0.127 0.000 0.842 823 L CB 0.204 42.223 42.059 -0.066 0.000 1.033 823 L HN 0.793 nan 8.230 nan 0.000 0.474 824 Q N -0.582 119.122 119.800 -0.161 0.000 2.617 824 Q HA 0.289 4.629 4.340 -0.000 0.000 0.270 824 Q C -1.846 174.095 176.000 -0.098 0.000 0.967 824 Q CA -0.756 54.989 55.803 -0.096 0.000 0.887 824 Q CB 2.284 30.997 28.738 -0.041 0.000 1.516 824 Q HN 0.019 nan 8.270 nan 0.000 0.395 825 C N 2.783 122.063 119.300 -0.033 0.000 2.705 825 C HA 0.886 5.346 4.460 -0.000 0.000 0.369 825 C C -1.061 173.998 174.990 0.115 0.000 1.069 825 C CA 0.769 59.804 59.018 0.030 0.000 1.260 825 C CB 0.814 28.563 27.740 0.015 0.000 1.764 825 C HN 0.923 nan 8.230 nan 0.000 0.469 826 T N 2.822 117.414 114.554 0.063 0.000 2.896 826 T HA 0.894 5.244 4.350 -0.000 0.000 0.297 826 T C -0.536 174.034 174.700 -0.217 0.000 1.108 826 T CA -0.019 62.078 62.100 -0.005 0.000 1.004 826 T CB 1.831 70.683 68.868 -0.026 0.000 1.159 826 T HN 2.018 nan 8.240 nan 0.000 0.499 827 A N 1.602 124.164 122.820 -0.431 0.000 2.401 827 A HA 0.839 5.158 4.320 -0.000 0.000 0.310 827 A C -1.208 176.161 177.584 -0.358 0.000 1.075 827 A CA -0.639 51.035 52.037 -0.605 0.000 0.746 827 A CB 1.437 19.673 19.000 -1.273 0.000 1.277 827 A HN 0.893 nan 8.150 nan 0.000 0.425 828 D N 0.200 120.434 120.400 -0.276 0.000 2.736 828 D HA 0.428 5.068 4.640 -0.000 0.000 0.223 828 D C -1.310 174.908 176.300 -0.136 0.000 1.231 828 D CA -0.012 53.887 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 0.110 174.783 174.700 -0.044 0.000 0.981 829 T CA -0.512 61.550 62.100 -0.063 0.000 0.965 829 T CB 0.895 69.741 68.868 -0.037 0.000 0.927 829 T HN 0.062 nan 8.240 nan 0.000 0.448 830 L N 1.701 122.899 121.223 -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 -0.482 54.341 54.840 -0.028 0.000 0.800 830 L CB 0.132 42.173 42.059 -0.029 0.000 1.290 830 L HN 0.694 nan 8.230 nan 0.000 0.462 831 A N -0.277 122.536 122.820 -0.011 0.000 2.019 831 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 831 A C 0.863 178.446 177.584 -0.001 0.000 1.164 831 A CA 1.944 53.978 52.037 -0.004 0.000 0.644 831 A CB -0.692 18.307 19.000 -0.001 0.000 0.805 831 A HN 0.856 nan 8.150 nan 0.000 0.449 832 D N -2.573 117.825 120.400 -0.004 0.000 2.500 832 D HA 0.560 5.200 4.640 -0.000 0.000 0.217 832 D C 0.262 176.556 176.300 -0.010 0.000 1.159 832 D CA 0.659 54.659 54.000 -0.001 0.000 0.828 832 D CB 0.460 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 -0.431 122.377 122.820 -0.022 0.000 2.467 833 A HA 0.636 4.956 4.320 -0.000 0.000 0.301 833 A C -1.774 175.775 177.584 -0.057 0.000 1.126 833 A CA -0.765 51.247 52.037 -0.041 0.000 0.632 833 A CB 0.738 19.711 19.000 -0.046 0.000 1.331 833 A HN -0.013 nan 8.150 nan 0.000 0.482 834 V N 0.275 120.136 119.914 -0.089 0.000 2.581 834 V HA 0.695 4.815 4.120 -0.000 0.000 0.303 834 V C -0.922 175.091 176.094 -0.134 0.000 1.041 834 V CA -0.481 61.748 62.300 -0.117 0.000 0.907 834 V CB 1.369 33.110 31.823 -0.137 0.000 0.994 834 V HN 0.829 nan 8.190 nan 0.000 0.442 835 L N 5.702 126.837 121.223 -0.146 0.000 2.356 835 L HA 0.681 5.020 4.340 -0.000 0.000 0.277 835 L C -0.968 175.787 176.870 -0.191 0.000 0.996 835 L CA -0.085 54.677 54.840 -0.131 0.000 0.822 835 L CB 1.475 43.480 42.059 -0.090 0.000 1.256 835 L HN 0.407 nan 8.230 nan 0.000 0.413 836 I N 3.455 123.920 120.570 -0.174 0.000 2.474 836 I HA 0.594 4.764 4.170 -0.000 0.000 0.294 836 I C 0.145 176.250 176.117 -0.021 0.000 1.005 836 I CA -0.417 60.746 61.300 -0.229 0.000 1.113 836 I CB 1.785 39.457 38.000 -0.546 0.000 1.289 836 I HN 0.705 nan 8.210 nan 0.000 0.436 837 T N 1.930 116.470 114.554 -0.023 0.000 2.886 837 T HA 0.851 5.201 4.350 -0.000 0.000 0.292 837 T C -0.365 174.389 174.700 0.089 0.000 1.012 837 T CA -0.463 61.675 62.100 0.064 0.000 0.982 837 T CB 2.045 70.930 68.868 0.028 0.000 1.018 837 T HN 0.779 nan 8.240 nan 0.000 0.451 838 T N -0.456 114.192 114.554 0.157 0.000 2.887 838 T HA 0.884 5.234 4.350 -0.000 0.000 0.292 838 T C -0.752 174.031 174.700 0.138 0.000 1.087 838 T CA -0.823 61.358 62.100 0.136 0.000 1.009 838 T CB 1.647 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 0.712 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 0.669 19.699 19.000 0.049 0.000 1.289 839 A HN 0.977 nan 8.150 nan 0.000 0.401 840 H N 0.257 119.387 119.070 0.100 0.000 2.834 840 H HA 0.877 5.433 4.556 -0.000 0.000 0.369 840 H C -0.002 175.344 175.328 0.030 0.000 1.174 840 H CA 0.109 56.125 56.048 -0.053 0.000 1.165 840 H CB 2.105 31.709 29.762 -0.263 0.000 1.820 840 H HN 1.058 nan 8.280 nan 0.000 0.558 841 A N 1.030 123.842 122.820 -0.013 0.000 2.398 841 A HA 0.415 4.735 4.320 -0.000 0.000 0.301 841 A C -1.500 176.094 177.584 0.016 0.000 1.041 841 A CA -0.730 51.388 52.037 0.135 0.000 0.711 841 A CB 1.177 20.233 19.000 0.093 0.000 1.240 841 A HN 0.549 nan 8.150 nan 0.000 0.420 842 W N 2.096 123.479 121.300 0.138 0.000 2.361 842 W HA 0.450 5.110 4.660 -0.000 0.000 0.309 842 W C -0.217 176.274 176.519 -0.047 0.000 1.122 842 W CA -0.173 57.225 57.345 0.089 0.000 1.208 842 W CB 1.586 31.123 29.460 0.128 0.000 1.246 842 W HN 0.768 nan 8.180 nan 0.000 0.490 843 Q N 1.381 121.284 119.800 0.172 0.000 2.496 843 Q HA 0.466 4.806 4.340 -0.000 0.000 0.286 843 Q C -0.925 175.189 176.000 0.190 0.000 1.103 843 Q CA -0.943 54.927 55.803 0.112 0.000 0.813 843 Q CB 3.515 32.290 28.738 0.062 0.000 1.444 843 Q HN 0.389 nan 8.270 nan 0.000 0.443 844 H N 1.034 120.120 119.070 0.027 0.000 3.179 844 H HA 0.066 4.622 4.556 -0.000 0.000 0.331 844 H C -1.072 174.278 175.328 0.037 0.000 1.013 844 H CA -0.066 56.011 56.048 0.048 0.000 1.430 844 H CB 1.034 30.833 29.762 0.062 0.000 1.895 844 H HN 0.863 nan 8.280 nan 0.000 0.468 845 Q N 3.300 122.872 119.800 -0.380 0.000 2.451 845 Q HA -0.245 4.095 4.340 -0.000 0.000 0.305 845 Q C 0.974 176.928 176.000 -0.077 0.000 1.345 845 Q CA 1.172 56.823 55.803 -0.253 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 -0.041 0.000 2.234 846 G HA2 -0.388 3.571 3.960 -0.000 0.000 0.260 846 G HA3 -0.388 3.571 3.960 -0.000 0.000 0.260 846 G C 0.101 175.008 174.900 0.012 0.000 0.987 846 G CA 0.704 45.798 45.100 -0.009 0.000 0.625 846 G HN 0.410 nan 8.290 nan 0.000 0.532 847 K N 1.097 121.515 120.400 0.029 0.000 2.130 847 K HA 0.627 4.947 4.320 -0.000 0.000 0.268 847 K C -0.234 176.379 176.600 0.021 0.000 0.983 847 K CA -0.110 56.196 56.287 0.032 0.000 0.893 847 K CB 0.907 33.435 32.500 0.047 0.000 1.066 847 K HN 0.009 nan 8.250 nan 0.000 0.450 848 T N 5.518 120.074 114.554 0.003 0.000 2.733 848 T HA 0.236 4.586 4.350 -0.000 0.000 0.294 848 T C 1.107 175.744 174.700 -0.104 0.000 0.956 848 T CA -0.592 61.499 62.100 -0.014 0.000 0.987 848 T CB 0.529 69.411 68.868 0.024 0.000 0.920 848 T HN 0.522 nan 8.240 nan 0.000 0.470 849 L N 2.042 123.087 121.223 -0.297 0.000 2.084 849 L HA 0.335 4.674 4.340 -0.000 0.000 0.202 849 L C 0.087 176.508 176.870 -0.747 0.000 1.074 849 L CA 0.988 55.387 54.840 -0.734 0.000 0.757 849 L CB -0.109 41.028 42.059 -1.537 0.000 0.918 849 L HN 0.516 nan 8.230 nan 0.000 0.444 850 F N -1.035 118.870 119.950 -0.074 0.000 2.629 850 F HA 0.616 5.143 4.527 -0.000 0.000 0.316 850 F C -0.381 175.535 175.800 0.193 0.000 1.081 850 F CA -0.922 57.006 58.000 -0.119 0.000 0.954 850 F CB 2.163 40.752 39.000 -0.685 0.000 1.337 850 F HN -0.310 nan 8.300 nan 0.000 0.474 851 I N 1.392 122.217 120.570 0.425 0.000 2.499 851 I HA 0.317 4.487 4.170 -0.000 0.000 0.288 851 I C -1.011 175.384 176.117 0.464 0.000 1.048 851 I CA -0.503 61.062 61.300 0.441 0.000 1.062 851 I CB 2.208 40.376 38.000 0.280 0.000 1.238 851 I HN 0.545 nan 8.210 nan 0.000 0.426 852 S N 6.969 123.042 115.700 0.621 0.000 2.552 852 S HA 0.576 5.046 4.470 -0.000 0.000 0.314 852 S C -0.728 174.128 174.600 0.427 0.000 1.099 852 S CA -0.659 57.870 58.200 0.547 0.000 1.070 852 S CB 0.755 64.392 63.200 0.727 0.000 0.998 852 S HN 0.576 nan 8.310 nan 0.000 0.474 853 R N 3.616 124.288 120.500 0.286 0.000 2.393 853 R HA 0.536 4.876 4.340 -0.000 0.000 0.315 853 R C -0.699 175.680 176.300 0.132 0.000 0.952 853 R CA -0.737 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 0.634 121.106 120.400 0.119 0.000 2.395 854 K HA 0.539 4.859 4.320 -0.000 0.000 0.245 854 K C -0.651 175.929 176.600 -0.033 0.000 1.017 854 K CA -0.960 55.309 56.287 -0.030 0.000 0.852 854 K CB 2.356 34.767 32.500 -0.149 0.000 1.311 854 K HN 0.591 nan 8.250 nan 0.000 0.452 855 T N -1.365 113.088 114.554 -0.167 0.000 2.952 855 T HA 0.526 4.876 4.350 -0.000 0.000 0.305 855 T C -1.485 173.118 174.700 -0.161 0.000 1.064 855 T CA -0.778 61.280 62.100 -0.070 0.000 1.008 855 T CB 0.398 69.255 68.868 -0.019 0.000 1.078 855 T HN 0.407 nan 8.240 nan 0.000 0.459 856 Y N 1.471 121.755 120.300 -0.026 0.000 2.350 856 Y HA 0.706 5.256 4.550 -0.000 0.000 0.338 856 Y C 0.432 176.282 175.900 -0.084 0.000 0.961 856 Y CA -1.141 56.952 58.100 -0.012 0.000 1.100 856 Y CB 1.931 40.419 38.460 0.046 0.000 1.179 856 Y HN 0.854 nan 8.280 nan 0.000 0.454 857 R N 4.537 125.085 120.500 0.079 0.000 2.483 857 R HA 0.641 4.981 4.340 -0.000 0.000 0.303 857 R C -2.029 174.234 176.300 -0.062 0.000 0.987 857 R CA -0.348 55.744 56.100 -0.013 0.000 0.881 857 R CB 0.736 31.031 30.300 -0.009 0.000 1.177 857 R HN 0.813 nan 8.270 nan 0.000 0.451 858 I N 5.086 125.565 120.570 -0.152 0.000 2.339 858 I HA 0.237 4.407 4.170 -0.000 0.000 0.290 858 I C -0.278 175.739 176.117 -0.166 0.000 0.994 858 I CA -0.894 60.253 61.300 -0.254 0.000 1.191 858 I CB 1.488 39.173 38.000 -0.525 0.000 1.343 858 I HN 0.739 nan 8.210 nan 0.000 0.458 859 D N 4.369 124.705 120.400 -0.107 0.000 2.549 859 D HA 0.240 4.880 4.640 -0.000 0.000 0.270 859 D C 1.217 177.500 176.300 -0.029 0.000 1.181 859 D CA -0.702 53.267 54.000 -0.052 0.000 1.070 859 D CB 0.776 41.564 40.800 -0.021 0.000 1.154 859 D HN 0.496 nan 8.370 nan 0.000 0.602 860 G N -1.446 107.350 108.800 -0.007 0.000 2.679 860 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.212 860 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.212 860 G C 1.126 176.031 174.900 0.008 0.000 1.137 860 G CA 0.878 45.984 45.100 0.009 0.000 0.787 860 G HN 0.524 nan 8.290 nan 0.000 0.534 861 S N -1.004 114.701 115.700 0.007 0.000 2.558 861 S HA 0.367 4.837 4.470 -0.000 0.000 0.217 861 S C 1.765 176.396 174.600 0.052 0.000 0.975 861 S CA 0.925 59.132 58.200 0.012 0.000 0.912 861 S CB 0.045 63.251 63.200 0.009 0.000 0.776 861 S HN 1.395 nan 8.310 nan 0.000 0.526 862 G N 0.816 109.663 108.800 0.078 0.000 2.132 862 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.234 862 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.234 862 G C -0.307 174.694 174.900 0.169 0.000 0.989 862 G CA 0.022 45.231 45.100 0.182 0.000 0.676 862 G HN 0.633 nan 8.290 nan 0.000 0.522 863 Q N -0.582 119.263 119.800 0.074 0.000 2.235 863 Q HA 0.700 5.040 4.340 -0.000 0.000 0.256 863 Q C 0.037 176.051 176.000 0.024 0.000 0.951 863 Q CA -0.542 55.312 55.803 0.086 0.000 0.890 863 Q CB 1.926 30.714 28.738 0.083 0.000 1.279 863 Q HN 0.367 nan 8.270 nan 0.000 0.444 864 M N 1.888 121.538 119.600 0.084 0.000 2.114 864 M HA 0.533 5.012 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 1.181 33.821 32.600 0.066 0.000 1.551 864 M HN 0.783 nan 8.290 nan 0.000 0.427 865 A N 6.919 129.803 122.820 0.108 0.000 2.276 865 A HA 0.759 5.079 4.320 -0.000 0.000 0.316 865 A C -0.830 176.800 177.584 0.078 0.000 1.229 865 A CA -0.664 51.437 52.037 0.106 0.000 0.851 865 A CB 0.479 19.521 19.000 0.071 0.000 1.165 865 A HN 0.904 nan 8.150 nan 0.000 0.513 866 I N 1.406 122.007 120.570 0.051 0.000 2.530 866 I HA 0.472 4.641 4.170 -0.000 0.000 0.297 866 I C -0.142 175.875 176.117 -0.166 0.000 1.011 866 I CA -0.377 60.866 61.300 -0.095 0.000 1.107 866 I CB 2.401 40.364 38.000 -0.062 0.000 1.285 866 I HN 0.501 nan 8.210 nan 0.000 0.436 867 T N 4.861 119.259 114.554 -0.261 0.000 2.879 867 T HA 0.538 4.888 4.350 -0.000 0.000 0.290 867 T C -0.721 173.769 174.700 -0.350 0.000 0.993 867 T CA -0.370 61.573 62.100 -0.262 0.000 0.975 867 T CB 1.862 70.671 68.868 -0.098 0.000 0.981 867 T HN 0.245 nan 8.240 nan 0.000 0.439 868 V N 4.184 123.764 119.914 -0.558 0.000 2.588 868 V HA 0.571 4.691 4.120 -0.000 0.000 0.304 868 V C -0.783 175.144 176.094 -0.277 0.000 1.042 868 V CA -0.909 61.090 62.300 -0.501 0.000 0.877 868 V CB 2.084 33.341 31.823 -0.944 0.000 0.996 868 V HN 0.844 nan 8.190 nan 0.000 0.425 869 D N 3.350 123.758 120.400 0.012 0.000 2.696 869 D HA 0.536 5.176 4.640 -0.000 0.000 0.251 869 D C -1.091 175.347 176.300 0.230 0.000 1.188 869 D CA -0.147 53.966 54.000 0.188 0.000 0.876 869 D CB 2.899 43.841 40.800 0.236 0.000 1.334 869 D HN 0.272 nan 8.370 nan 0.000 0.540 870 V N 1.804 121.893 119.914 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 61.742 62.300 0.295 0.000 0.928 870 V CB 2.632 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 1.746 122.089 120.200 0.238 0.000 2.210 871 E HA 0.651 5.001 4.350 -0.000 0.000 0.266 871 E C -1.651 175.081 176.600 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 32.416 29.700 0.171 0.000 1.156 871 E HN 0.422 nan 8.360 nan 0.000 0.412 872 V N 2.114 122.158 119.914 0.217 0.000 2.487 872 V HA 0.397 4.517 4.120 -0.000 0.000 0.298 872 V C 0.028 176.237 176.094 0.191 0.000 1.028 872 V CA -0.910 61.542 62.300 0.255 0.000 0.860 872 V CB 1.559 33.540 31.823 0.265 0.000 0.991 872 V HN 0.843 nan 8.190 nan 0.000 0.427 873 A N 3.381 126.287 122.820 0.144 0.000 2.546 873 A HA 0.259 4.579 4.320 -0.000 0.000 0.243 873 A C 1.631 179.303 177.584 0.147 0.000 1.063 873 A CA 0.665 52.766 52.037 0.106 0.000 0.757 873 A CB 0.239 19.269 19.000 0.050 0.000 0.991 873 A HN 1.380 nan 8.150 nan 0.000 0.503 874 S N 1.309 117.085 115.700 0.127 0.000 2.442 874 S HA -0.149 4.321 4.470 -0.000 0.000 0.236 874 S C 0.886 175.573 174.600 0.144 0.000 1.007 874 S CA 1.345 59.633 58.200 0.147 0.000 0.965 874 S CB -0.268 62.995 63.200 0.105 0.000 0.773 874 S HN 0.817 nan 8.310 nan 0.000 0.504 875 D N 0.457 120.920 120.400 0.106 0.000 2.342 875 D HA 0.140 4.780 4.640 -0.000 0.000 0.221 875 D C 0.526 176.878 176.300 0.086 0.000 1.101 875 D CA -0.010 54.038 54.000 0.081 0.000 0.837 875 D CB -0.266 40.565 40.800 0.052 0.000 0.938 875 D HN 0.332 nan 8.370 nan 0.000 0.508 876 T N 0.620 115.256 114.554 0.137 0.000 2.943 876 T HA 0.455 4.805 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 -2.024 60.184 62.100 0.180 0.000 1.042 876 T CB 1.391 70.397 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 -0.217 62.982 63.100 0.166 0.000 0.771 877 P CB 0.112 31.893 31.700 0.134 0.000 0.864 878 H N 3.079 122.489 119.070 0.566 0.000 3.034 878 H HA 0.073 4.629 4.556 -0.000 0.000 0.324 878 H C -1.901 173.762 175.328 0.558 0.000 1.015 878 H CA -1.636 54.690 56.048 0.463 0.000 1.429 878 H CB -0.963 29.004 29.762 0.341 0.000 1.429 878 H HN 0.300 nan 8.280 nan 0.000 0.585 879 P HA 0.082 nan 4.420 nan 0.000 0.275 879 P C 0.453 177.670 177.300 -0.138 0.000 1.228 879 P CA -0.299 62.862 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 3.487 125.999 122.820 -0.513 0.000 1.972 880 A HA -0.116 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 17.847 19.000 -0.913 0.000 0.810 880 A HN 0.769 nan 8.150 nan 0.000 0.446 881 R N -3.014 117.158 120.500 -0.545 0.000 2.752 881 R HA 0.689 5.029 4.340 -0.000 0.000 0.277 881 R C -1.893 174.171 176.300 -0.394 0.000 1.024 881 R CA -0.825 54.972 56.100 -0.504 0.000 0.866 881 R CB 0.538 30.486 30.300 -0.587 0.000 1.278 881 R HN 0.035 nan 8.270 nan 0.000 0.473 882 I N 1.162 121.531 120.570 -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 60.661 61.300 -0.326 0.000 1.080 882 I CB 1.729 39.617 38.000 -0.186 0.000 1.205 882 I HN 1.009 nan 8.210 nan 0.000 0.459 883 G N 5.931 114.453 108.800 -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 -1.769 172.956 174.900 -0.292 0.000 1.243 883 G CA -0.525 44.357 45.100 -0.363 0.000 0.843 883 G HN 0.294 nan 8.290 nan 0.000 0.486 884 L N 0.672 121.770 121.223 -0.209 0.000 2.327 884 L HA 0.681 5.021 4.340 -0.000 0.000 0.258 884 L C -0.846 175.919 176.870 -0.175 0.000 1.024 884 L CA -1.139 53.600 54.840 -0.168 0.000 0.825 884 L CB 2.639 44.663 42.059 -0.058 0.000 1.386 884 L HN 0.875 nan 8.230 nan 0.000 0.417 885 N N 0.225 118.851 118.700 -0.124 0.000 2.927 885 N HA 0.689 5.429 4.740 -0.000 0.000 0.248 885 N C -1.275 174.244 175.510 0.015 0.000 1.443 885 N CA -0.552 52.460 53.050 -0.064 0.000 0.870 885 N CB 2.168 40.633 38.487 -0.036 0.000 1.444 885 N HN 0.884 nan 8.380 nan 0.000 0.519 886 C N -1.926 117.421 119.300 0.079 0.000 3.253 886 C HA 0.566 5.026 4.460 -0.000 0.000 0.342 886 C C -1.376 173.533 174.990 -0.135 0.000 1.306 886 C CA -0.860 58.178 59.018 0.033 0.000 1.207 886 C CB 0.937 28.681 27.740 0.008 0.000 1.479 886 C HN 0.880 nan 8.230 nan 0.000 0.469 887 Q N 1.361 120.870 119.800 -0.485 0.000 2.372 887 Q HA 0.639 4.979 4.340 -0.000 0.000 0.259 887 Q C -1.009 174.715 176.000 -0.460 0.000 0.993 887 Q CA -0.422 54.826 55.803 -0.925 0.000 0.854 887 Q CB 0.822 28.635 28.738 -1.542 0.000 1.231 887 Q HN 0.756 nan 8.270 nan 0.000 0.462 888 L N 2.739 123.775 121.223 -0.311 0.000 2.397 888 L HA 0.258 4.597 4.340 -0.000 0.000 0.271 888 L C 1.200 177.982 176.870 -0.146 0.000 1.148 888 L CA -0.236 54.526 54.840 -0.129 0.000 0.825 888 L CB 0.962 43.040 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 -0.132 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 52.729 52.037 -0.109 0.000 0.635 889 A CB -0.262 18.668 19.000 -0.115 0.000 0.810 889 A HN 0.817 nan 8.150 nan 0.000 0.445 890 Q N -0.599 119.195 119.800 -0.011 0.000 2.382 890 Q HA 0.464 4.804 4.340 -0.000 0.000 0.229 890 Q C -1.128 174.881 176.000 0.016 0.000 1.006 890 Q CA 0.096 55.890 55.803 -0.014 0.000 0.916 890 Q CB 0.938 29.672 28.738 -0.007 0.000 1.235 890 Q HN 0.140 nan 8.270 nan 0.000 0.512 891 V N 2.093 121.983 119.914 -0.039 0.000 2.610 891 V HA 0.739 4.859 4.120 -0.000 0.000 0.298 891 V C -0.867 175.179 176.094 -0.080 0.000 1.067 891 V CA -0.119 62.196 62.300 0.024 0.000 0.894 891 V CB 1.098 32.932 31.823 0.017 0.000 1.015 891 V HN 0.946 nan 8.190 nan 0.000 0.432 892 A N 3.279 126.008 122.820 -0.151 0.000 2.347 892 A HA 0.883 5.203 4.320 -0.000 0.000 0.301 892 A C 0.631 178.257 177.584 0.071 0.000 1.163 892 A CA -0.302 51.629 52.037 -0.175 0.000 0.860 892 A CB 1.498 20.195 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 0.070 4.419 4.350 -0.000 0.000 0.189 893 E C 0.614 177.299 176.600 0.143 0.000 0.974 893 E CA 1.019 57.471 56.400 0.086 0.000 0.808 893 E CB 0.141 29.869 29.700 0.046 0.000 0.768 893 E HN 0.527 nan 8.360 nan 0.000 0.453 894 R N -0.576 120.020 120.500 0.159 0.000 2.856 894 R HA 0.602 4.942 4.340 -0.000 0.000 0.258 894 R C -1.091 175.396 176.300 0.312 0.000 1.066 894 R CA -0.923 55.297 56.100 0.200 0.000 1.045 894 R CB 2.141 32.527 30.300 0.143 0.000 1.178 894 R HN -0.134 nan 8.270 nan 0.000 0.499 895 V N 1.552 121.654 119.914 0.312 0.000 2.623 895 V HA 0.332 4.452 4.120 -0.000 0.000 0.304 895 V C -0.653 175.709 176.094 0.447 0.000 1.054 895 V CA -0.948 61.574 62.300 0.371 0.000 0.882 895 V CB 1.913 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 4.070 123.024 118.700 0.423 0.000 2.295 896 N HA 0.549 5.289 4.740 -0.000 0.000 0.293 896 N C -1.469 174.312 175.510 0.451 0.000 1.040 896 N CA -0.399 52.871 53.050 0.368 0.000 0.840 896 N CB 2.913 41.508 38.487 0.180 0.000 1.468 896 N HN 0.830 nan 8.380 nan 0.000 0.478 897 W N 3.136 124.494 121.300 0.096 0.000 3.074 897 W HA 0.613 5.273 4.660 -0.000 0.000 0.332 897 W C -2.147 174.374 176.519 0.003 0.000 1.253 897 W CA -1.072 56.314 57.345 0.068 0.000 1.180 897 W CB 0.733 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 3.913 125.150 121.223 0.022 0.000 2.324 898 L HA 0.910 5.250 4.340 -0.000 0.000 0.274 898 L C -0.022 176.799 176.870 -0.082 0.000 1.012 898 L CA 0.395 55.082 54.840 -0.256 0.000 0.859 898 L CB 0.756 42.717 42.059 -0.163 0.000 1.224 898 L HN 1.030 nan 8.230 nan 0.000 0.429 899 G N 3.661 112.324 108.800 -0.227 0.000 2.392 899 G HA2 0.190 4.150 3.960 -0.000 0.000 0.260 899 G HA3 0.190 4.150 3.960 -0.000 0.000 0.260 899 G C -1.587 173.465 174.900 0.254 0.000 1.226 899 G CA -1.011 44.174 45.100 0.142 0.000 0.913 899 G HN 0.369 nan 8.290 nan 0.000 0.483 900 L N 1.521 122.973 121.223 0.381 0.000 2.361 900 L HA 0.582 4.922 4.340 -0.000 0.000 0.278 900 L C 0.967 177.904 176.870 0.111 0.000 1.113 900 L CA 0.510 55.493 54.840 0.238 0.000 0.849 900 L CB 0.444 42.574 42.059 0.120 0.000 1.155 900 L HN 0.976 nan 8.230 nan 0.000 0.452 901 G N 3.557 112.159 108.800 -0.330 0.000 2.606 901 G HA2 0.472 4.431 3.960 -0.000 0.000 0.300 901 G HA3 0.472 4.431 3.960 -0.000 0.000 0.300 901 G C -2.750 171.286 174.900 -1.441 0.000 1.360 901 G CA -0.376 44.056 45.100 -1.114 0.000 0.783 901 G HN 0.306 nan 8.290 nan 0.000 0.484 902 P HA 0.135 nan 4.420 nan 0.000 0.252 902 P C 0.209 177.303 177.300 -0.343 0.000 1.211 902 P CA 0.304 62.806 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 -0.527 55.153 55.803 -0.205 0.000 0.936 903 Q CB 0.785 29.430 28.738 -0.155 0.000 1.204 903 Q HN 0.175 nan 8.270 nan 0.000 0.524 904 E N 1.390 121.476 120.200 -0.190 0.000 2.708 904 E HA -0.146 4.203 4.350 -0.000 0.000 0.260 904 E C -1.027 175.482 176.600 -0.152 0.000 0.937 904 E CA 0.361 56.641 56.400 -0.201 0.000 0.953 904 E CB 0.198 29.852 29.700 -0.077 0.000 0.915 904 E HN 0.611 nan 8.360 nan 0.000 0.487 905 N N 2.778 121.306 118.700 -0.287 0.000 2.308 905 N HA 0.346 5.086 4.740 -0.000 0.000 0.283 905 N C -1.856 173.412 175.510 -0.404 0.000 1.105 905 N CA -0.680 52.256 53.050 -0.190 0.000 0.840 905 N CB 0.738 39.135 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 -2.061 55.942 58.100 -0.162 0.000 1.080 906 Y CB 1.751 40.108 38.460 -0.172 0.000 1.284 906 Y HN 0.423 nan 8.280 nan 0.000 0.485 907 P HA -0.189 nan 4.420 nan 0.000 0.216 907 P C 0.436 177.675 177.300 -0.102 0.000 1.157 907 P CA 2.210 65.358 63.100 0.080 0.000 0.880 907 P CB 0.182 32.014 31.700 0.221 0.000 0.791 908 D N -2.107 118.035 120.400 -0.430 0.000 2.358 908 D HA 0.008 4.648 4.640 -0.000 0.000 0.224 908 D C 0.552 176.713 176.300 -0.233 0.000 1.123 908 D CA 0.031 53.573 54.000 -0.763 0.000 0.833 908 D CB -0.246 39.767 40.800 -1.313 0.000 0.946 908 D HN 0.139 nan 8.370 nan 0.000 0.505 909 R N 1.019 121.481 120.500 -0.064 0.000 2.928 909 R HA 0.212 4.552 4.340 -0.000 0.000 0.248 909 R C -0.762 175.573 176.300 0.058 0.000 1.796 909 R CA -0.218 55.899 56.100 0.029 0.000 1.477 909 R CB 0.083 30.401 30.300 0.031 0.000 1.484 909 R HN 0.117 nan 8.270 nan 0.000 0.623 910 L N -0.898 120.370 121.223 0.074 0.000 3.664 910 L HA 0.289 4.629 4.340 -0.000 0.000 0.341 910 L C 1.237 178.170 176.870 0.105 0.000 1.247 910 L CA 0.226 55.106 54.840 0.068 0.000 1.133 910 L CB 0.112 42.194 42.059 0.038 0.000 1.498 910 L HN 0.162 nan 8.230 nan 0.000 0.628 911 T N -2.376 112.269 114.554 0.150 0.000 2.881 911 T HA 0.001 4.351 4.350 -0.000 0.000 0.270 911 T C 1.700 176.502 174.700 0.170 0.000 1.068 911 T CA 1.392 63.607 62.100 0.192 0.000 1.131 911 T CB -0.294 68.729 68.868 0.257 0.000 0.871 911 T HN 0.431 nan 8.240 nan 0.000 0.479 912 A N 1.281 124.207 122.820 0.176 0.000 2.119 912 A HA 0.676 4.996 4.320 -0.000 0.000 0.216 912 A C 1.686 179.367 177.584 0.162 0.000 1.152 912 A CA 0.493 52.604 52.037 0.124 0.000 0.708 912 A CB -0.863 18.321 19.000 0.307 0.000 0.805 912 A HN 0.821 nan 8.150 nan 0.000 0.460 916 D N 3.057 122.874 120.400 -0.971 0.000 3.145 916 D HA 0.324 4.964 4.640 -0.000 0.000 0.345 916 D C -1.507 173.879 176.300 -1.523 0.000 1.391 916 D CA -0.675 52.574 54.000 -1.251 0.000 0.930 916 D CB 2.205 42.222 40.800 -1.305 0.000 1.451 916 D HN 0.627 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 -1.275 174.219 176.300 -1.345 0.000 0.989 917 R CA -0.413 55.012 56.100 -1.126 0.000 0.842 917 R CB 0.504 30.416 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 5.061 4.660 -0.000 0.000 0.340 918 W C -0.448 175.681 176.519 -0.649 0.000 1.060 918 W CA -0.638 56.101 57.345 -1.009 0.000 1.218 918 W CB 1.569 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 3.105 123.451 120.400 -0.091 0.000 2.736 919 D HA 0.518 5.158 4.640 -0.000 0.000 0.243 919 D C -1.276 175.121 176.300 0.162 0.000 1.304 919 D CA -0.121 53.926 54.000 0.078 0.000 0.934 919 D CB 1.209 42.021 40.800 0.020 0.000 1.382 919 D HN 0.393 nan 8.370 nan 0.000 0.571 920 L N 2.654 124.045 121.223 0.279 0.000 2.397 920 L HA 0.561 4.900 4.340 -0.000 0.000 0.251 920 L C -2.556 174.437 176.870 0.205 0.000 1.064 920 L CA -2.135 52.844 54.840 0.232 0.000 0.859 920 L CB 2.733 44.962 42.059 0.284 0.000 1.468 920 L HN 0.186 nan 8.230 nan 0.000 0.411 921 P HA 0.166 nan 4.420 nan 0.000 0.290 921 P C 0.464 177.843 177.300 0.131 0.000 1.276 921 P CA -0.509 62.669 63.100 0.131 0.000 0.808 921 P CB 1.319 33.075 31.700 0.094 0.000 0.966 922 L N 3.676 124.983 121.223 0.139 0.000 2.085 922 L HA -0.318 4.022 4.340 -0.000 0.000 0.218 922 L C 2.189 179.112 176.870 0.088 0.000 1.080 922 L CA 2.846 57.755 54.840 0.114 0.000 0.776 922 L CB -1.527 40.614 42.059 0.135 0.000 0.891 922 L HN 0.450 nan 8.230 nan 0.000 0.437 923 S N -1.813 113.941 115.700 0.090 0.000 2.400 923 S HA -0.192 4.277 4.470 -0.000 0.000 0.232 923 S C 1.624 176.294 174.600 0.117 0.000 1.025 923 S CA 1.244 59.506 58.200 0.103 0.000 0.993 923 S CB -0.775 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 1.319 121.771 120.400 0.085 0.000 2.348 924 D HA 0.083 4.723 4.640 -0.000 0.000 0.216 924 D C 1.193 177.509 176.300 0.027 0.000 0.970 924 D CA 0.605 54.638 54.000 0.055 0.000 0.889 924 D CB -0.184 40.652 40.800 0.061 0.000 0.912 924 D HN 0.415 nan 8.370 nan 0.000 0.524 925 M N -0.230 119.395 119.600 0.043 0.000 2.581 925 M HA 0.080 4.560 4.480 -0.000 0.000 0.224 925 M C -0.156 176.163 176.300 0.031 0.000 1.171 925 M CA -0.020 55.264 55.300 -0.028 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 -0.158 120.097 120.300 -0.075 0.000 2.425 926 Y HA 0.484 5.034 4.550 -0.000 0.000 0.344 926 Y C -0.853 174.966 175.900 -0.134 0.000 0.969 926 Y CA -0.804 57.254 58.100 -0.070 0.000 1.052 926 Y CB 1.531 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 8.631 122.641 114.554 -0.907 0.000 2.893 927 T HA 0.261 4.611 4.350 -0.000 0.000 0.324 927 T C -2.658 171.198 174.700 -1.406 0.000 1.082 927 T CA -1.493 59.982 62.100 -1.041 0.000 0.983 927 T CB 0.961 69.330 68.868 -0.831 0.000 1.005 927 T HN 0.448 nan 8.240 nan 0.000 0.475 928 P HA 0.038 nan 4.420 nan 0.000 0.246 928 P C -0.564 176.559 177.300 -0.295 0.000 1.675 928 P CA -0.301 62.358 63.100 -0.735 0.000 0.908 928 P CB -0.896 30.526 31.700 -0.462 0.000 1.890 929 Y N -0.430 119.754 120.300 -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 4.316 124.419 119.914 0.315 0.000 2.250 930 V HA -0.337 3.783 4.120 -0.000 0.000 0.250 930 V C 0.627 176.873 176.094 0.253 0.000 1.060 930 V CA 1.678 64.146 62.300 0.280 0.000 1.030 930 V CB -0.512 31.512 31.823 0.334 0.000 0.643 930 V HN 0.606 nan 8.190 nan 0.000 0.445 931 F N 3.402 123.387 119.950 0.059 0.000 2.391 931 F HA 0.511 5.038 4.527 -0.000 0.000 0.359 931 F C -2.323 173.474 175.800 -0.005 0.000 1.122 931 F CA -3.189 54.798 58.000 -0.023 0.000 1.120 931 F CB 0.959 39.834 39.000 -0.208 0.000 1.142 931 F HN -0.002 nan 8.300 nan 0.000 0.483 932 P HA 0.351 nan 4.420 nan 0.000 0.278 932 P C -1.227 175.768 177.300 -0.508 0.000 1.238 932 P CA -0.182 62.654 63.100 -0.440 0.000 0.794 932 P CB 1.661 33.166 31.700 -0.324 0.000 0.955 933 S N -0.351 115.242 115.700 -0.178 0.000 2.656 933 S HA 0.376 4.846 4.470 -0.000 0.000 0.265 933 S C -0.833 173.758 174.600 -0.016 0.000 1.132 933 S CA -0.934 57.213 58.200 -0.089 0.000 0.819 933 S CB 0.247 63.431 63.200 -0.027 0.000 1.119 933 S HN 0.385 nan 8.310 nan 0.000 0.476 934 E N 1.228 121.429 120.200 0.002 0.000 2.568 934 E HA 0.336 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 57.564 56.400 0.039 0.000 0.945 934 E CB -0.313 29.433 29.700 0.077 0.000 0.924 934 E HN 0.835 nan 8.360 nan 0.000 0.467 935 N N 1.174 119.948 118.700 0.123 0.000 3.261 935 N HA 0.466 5.206 4.740 -0.000 0.000 0.248 935 N C 0.255 175.809 175.510 0.075 0.000 1.498 935 N CA -0.653 52.510 53.050 0.188 0.000 0.884 935 N CB 0.510 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 3.679 3.960 -0.000 0.000 0.267 936 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.267 936 G C -0.148 174.504 174.900 -0.414 0.000 0.975 936 G CA 0.565 45.558 45.100 -0.178 0.000 0.644 936 G HN 0.705 nan 8.290 nan 0.000 0.537 937 L N 0.973 121.879 121.223 -0.527 0.000 2.506 937 L HA 0.491 4.830 4.340 -0.000 0.000 0.281 937 L C 0.732 177.032 176.870 -0.951 0.000 1.228 937 L CA 0.323 54.616 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 3.853 123.709 120.500 -1.074 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 0.729 30.489 30.300 -0.900 0.000 1.182 938 R HN 0.618 nan 8.270 nan 0.000 0.442 939 C N -0.439 118.652 119.300 -0.348 0.000 2.380 939 C HA 0.716 5.176 4.460 -0.000 0.000 0.393 939 C C 1.362 176.328 174.990 -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 28.618 27.740 -0.144 0.000 2.165 939 C HN 1.057 nan 8.230 nan 0.000 0.540 940 G N 1.694 110.485 108.800 -0.016 0.000 2.338 940 G HA2 -0.166 3.793 3.960 -0.000 0.000 0.296 940 G HA3 -0.166 3.793 3.960 -0.000 0.000 0.296 940 G C -0.143 174.819 174.900 0.102 0.000 1.040 940 G CA 0.472 45.611 45.100 0.065 0.000 1.004 940 G HN 0.829 nan 8.290 nan 0.000 0.509 941 T N -0.511 113.973 114.554 -0.116 0.000 2.837 941 T HA 0.560 4.910 4.350 -0.000 0.000 0.285 941 T C 1.430 175.833 174.700 -0.495 0.000 0.984 941 T CA -0.529 61.444 62.100 -0.211 0.000 1.049 941 T CB 1.707 70.421 68.868 -0.257 0.000 0.947 941 T HN 0.332 nan 8.240 nan 0.000 0.472 942 R N 0.905 121.322 120.500 -0.138 0.000 2.287 942 R HA 0.254 4.594 4.340 -0.000 0.000 0.197 942 R C 0.448 176.800 176.300 0.087 0.000 0.900 942 R CA 0.148 56.236 56.100 -0.020 0.000 1.052 942 R CB 0.858 31.267 30.300 0.182 0.000 1.117 942 R HN 0.642 nan 8.270 nan 0.000 0.568 943 E N 1.055 121.324 120.200 0.115 0.000 2.304 943 E HA 0.287 4.636 4.350 -0.000 0.000 0.277 943 E C -1.990 174.766 176.600 0.260 0.000 0.898 943 E CA -0.630 55.906 56.400 0.226 0.000 0.764 943 E CB 1.766 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 1.813 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 4.472 123.369 118.700 0.328 0.000 2.346 945 N HA 0.415 5.155 4.740 -0.000 0.000 0.289 945 N C -2.001 173.761 175.510 0.421 0.000 1.027 945 N CA -0.214 53.034 53.050 0.331 0.000 0.864 945 N CB 2.032 40.645 38.487 0.211 0.000 1.370 945 N HN 0.604 nan 8.380 nan 0.000 0.481 946 Y N 1.373 121.853 120.300 0.301 0.000 2.330 946 Y HA 0.448 4.997 4.550 -0.000 0.000 0.324 946 Y C 0.577 176.619 175.900 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 6.491 115.207 108.800 -0.140 0.000 2.547 947 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.271 947 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.271 947 G C -1.832 173.007 174.900 -0.101 0.000 1.209 947 G CA -0.068 44.923 45.100 -0.182 0.000 0.959 947 G HN 0.553 nan 8.290 nan 0.000 0.563 948 P HA 0.094 nan 4.420 nan 0.000 0.237 948 P C 0.513 177.573 177.300 -0.399 0.000 1.178 948 P CA 1.104 64.027 63.100 -0.295 0.000 0.766 948 P CB -0.110 31.340 31.700 -0.416 0.000 0.876 949 H N -0.361 118.664 119.070 -0.076 0.000 2.505 949 H HA 0.513 5.069 4.556 -0.000 0.000 0.351 949 H C 0.333 175.439 175.328 -0.369 0.000 1.151 949 H CA -0.127 55.759 56.048 -0.271 0.000 1.339 949 H CB 0.766 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 2.111 121.643 119.800 -0.447 0.000 2.284 950 Q HA 0.250 4.590 4.340 -0.000 0.000 0.269 950 Q C -1.933 173.820 176.000 -0.411 0.000 1.026 950 Q CA -0.728 54.925 55.803 -0.250 0.000 0.831 950 Q CB 1.668 30.389 28.738 -0.029 0.000 1.322 950 Q HN 0.623 nan 8.270 nan 0.000 0.419 951 W N 3.612 124.914 121.300 0.004 0.000 2.736 951 W HA 0.649 5.309 4.660 -0.000 0.000 0.335 951 W C -0.291 176.325 176.519 0.163 0.000 1.059 951 W CA -0.908 56.408 57.345 -0.047 0.000 1.226 951 W CB 2.177 31.421 29.460 -0.360 0.000 1.416 951 W HN 0.524 nan 8.180 nan 0.000 0.505 952 R N 0.603 121.358 120.500 0.425 0.000 2.673 952 R HA 0.730 5.070 4.340 -0.000 0.000 0.281 952 R C 0.076 176.653 176.300 0.463 0.000 0.991 952 R CA -0.497 55.864 56.100 0.434 0.000 0.896 952 R CB 2.418 32.884 30.300 0.277 0.000 1.201 952 R HN 0.789 nan 8.270 nan 0.000 0.457 953 G N 0.915 110.013 108.800 0.496 0.000 2.564 953 G HA2 -0.028 3.931 3.960 -0.000 0.000 0.139 953 G HA3 -0.028 3.931 3.960 -0.000 0.000 0.139 953 G C -1.757 173.310 174.900 0.278 0.000 1.147 953 G CA -0.402 44.947 45.100 0.414 0.000 1.031 953 G HN 0.483 nan 8.290 nan 0.000 0.482 954 D N 0.438 121.024 120.400 0.310 0.000 2.330 954 D HA 0.586 5.226 4.640 -0.000 0.000 0.249 954 D C -0.983 175.367 176.300 0.083 0.000 1.306 954 D CA -0.228 53.814 54.000 0.070 0.000 0.956 954 D CB 0.817 41.670 40.800 0.088 0.000 1.261 954 D HN 0.455 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 -1.215 174.559 175.800 -0.043 0.000 1.196 955 F CA -1.021 56.922 58.000 -0.095 0.000 0.929 955 F CB 0.720 39.651 39.000 -0.115 0.000 1.440 955 F HN -0.134 nan 8.300 nan 0.000 0.505 956 Q N 1.360 121.263 119.800 0.172 0.000 2.413 956 Q HA 0.707 5.046 4.340 -0.000 0.000 0.276 956 Q C -1.418 174.689 176.000 0.178 0.000 1.099 956 Q CA -0.556 55.267 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 -1.277 118.559 119.950 -0.191 0.000 2.779 957 F HA 0.772 5.298 4.527 -0.000 0.000 0.316 957 F C -1.836 173.755 175.800 -0.348 0.000 1.164 957 F CA -1.037 56.813 58.000 -0.249 0.000 0.924 957 F CB 1.462 40.326 39.000 -0.226 0.000 1.348 957 F HN 0.642 nan 8.300 nan 0.000 0.467 958 N N 0.890 119.445 118.700 -0.242 0.000 2.494 958 N HA 0.710 5.450 4.740 -0.000 0.000 0.270 958 N C -2.188 173.301 175.510 -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 0.375 120.904 120.570 -0.067 0.000 2.649 959 I HA 0.659 4.829 4.170 -0.000 0.000 0.289 959 I C -1.259 174.810 176.117 -0.079 0.000 1.222 959 I CA 0.086 61.323 61.300 -0.104 0.000 1.046 959 I CB 1.267 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 5.023 4.470 -0.000 0.000 0.286 960 S C -0.320 174.244 174.600 -0.061 0.000 1.207 960 S CA -0.964 57.224 58.200 -0.019 0.000 0.892 960 S CB 1.626 64.894 63.200 0.113 0.000 1.240 960 S HN 0.623 nan 8.310 nan 0.000 0.525 961 R N -0.021 120.288 120.500 -0.318 0.000 2.507 961 R HA 0.290 4.630 4.340 -0.000 0.000 0.298 961 R C -1.101 174.865 176.300 -0.556 0.000 0.999 961 R CA 0.146 55.974 56.100 -0.453 0.000 1.082 961 R CB -0.488 29.409 30.300 -0.673 0.000 1.246 961 R HN 0.623 nan 8.270 nan 0.000 0.553 962 Y N 0.305 120.609 120.300 0.008 0.000 2.391 962 Y HA 0.234 4.783 4.550 -0.000 0.000 0.341 962 Y C 0.704 176.370 175.900 -0.390 0.000 0.965 962 Y CA -1.204 56.804 58.100 -0.154 0.000 1.067 962 Y CB 1.512 39.829 38.460 -0.238 0.000 1.199 962 Y HN -0.075 nan 8.280 nan 0.000 0.450 963 S N 1.754 117.120 115.700 -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 0.728 120.230 119.800 -0.497 0.000 2.124 964 Q HA -0.209 4.131 4.340 -0.000 0.000 0.202 964 Q C 2.225 178.102 176.000 -0.204 0.000 0.977 964 Q CA 1.873 57.519 55.803 -0.262 0.000 0.850 964 Q CB -0.509 28.110 28.738 -0.198 0.000 0.901 964 Q HN 0.965 nan 8.270 nan 0.000 0.429 965 Q N 0.690 120.348 119.800 -0.236 0.000 2.096 965 Q HA -0.226 4.113 4.340 -0.000 0.000 0.204 965 Q C 2.150 178.071 176.000 -0.132 0.000 0.982 965 Q CA 1.435 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 1.738 57.468 55.803 -0.122 0.000 0.843 966 Q CB -0.193 28.467 28.738 -0.131 0.000 0.904 966 Q HN 0.493 nan 8.270 nan 0.000 0.420 967 L N 0.111 121.237 121.223 -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 1.443 56.172 54.840 -0.185 0.000 0.752 967 L CB -0.425 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 -0.513 119.002 119.600 -0.143 0.000 2.229 968 M HA -0.178 4.302 4.480 -0.000 0.000 0.264 968 M C 1.727 177.963 176.300 -0.106 0.000 1.063 968 M CA 1.676 56.904 55.300 -0.120 0.000 1.114 968 M CB 0.098 32.636 32.600 -0.105 0.000 1.387 968 M HN 0.189 nan 8.290 nan 0.000 0.420 969 E N -0.654 119.489 120.200 -0.095 0.000 2.474 969 E HA 0.048 4.397 4.350 -0.000 0.000 0.194 969 E C -0.232 176.337 176.600 -0.051 0.000 1.041 969 E CA 0.147 56.513 56.400 -0.057 0.000 0.874 969 E CB 0.436 30.114 29.700 -0.037 0.000 0.914 969 E HN 0.347 nan 8.360 nan 0.000 0.498 970 T N 0.253 114.749 114.554 -0.098 0.000 2.829 970 T HA 0.107 4.457 4.350 -0.000 0.000 0.282 970 T C 1.116 175.750 174.700 -0.111 0.000 0.990 970 T CA -0.403 61.644 62.100 -0.087 0.000 1.028 970 T CB 1.678 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 1.480 117.206 115.700 0.044 0.000 2.486 971 S HA 0.106 4.576 4.470 -0.000 0.000 0.220 971 S C 0.245 174.940 174.600 0.157 0.000 1.011 971 S CA 0.132 58.427 58.200 0.158 0.000 0.921 971 S CB -0.174 63.266 63.200 0.399 0.000 0.785 971 S HN 0.729 nan 8.310 nan 0.000 0.517 972 H N 0.708 119.815 119.070 0.061 0.000 2.717 972 H HA 0.532 5.088 4.556 -0.000 0.000 0.366 972 H C 1.036 176.410 175.328 0.076 0.000 1.132 972 H CA -0.769 55.391 56.048 0.186 0.000 1.180 972 H CB 1.495 31.460 29.762 0.338 0.000 1.678 972 H HN 0.123 nan 8.280 nan 0.000 0.537 973 R N 1.539 122.201 120.500 0.269 0.000 2.091 973 R HA -0.199 4.140 4.340 -0.000 0.000 0.238 973 R C 1.347 177.713 176.300 0.109 0.000 1.136 973 R CA 2.002 58.181 56.100 0.132 0.000 0.959 973 R CB -0.622 29.758 30.300 0.133 0.000 0.856 973 R HN 0.792 nan 8.270 nan 0.000 0.437 974 H N 1.683 120.779 119.070 0.044 0.000 2.518 974 H HA -0.031 4.525 4.556 -0.000 0.000 0.292 974 H C 1.436 176.711 175.328 -0.088 0.000 1.068 974 H CA 1.066 57.097 56.048 -0.028 0.000 1.275 974 H CB -0.252 29.484 29.762 -0.043 0.000 1.375 974 H HN 0.356 nan 8.280 nan 0.000 0.563 975 L N 0.828 121.754 121.223 -0.495 0.000 2.611 975 L HA 0.255 4.595 4.340 -0.000 0.000 0.229 975 L C 0.307 177.096 176.870 -0.135 0.000 1.137 975 L CA -0.147 54.458 54.840 -0.393 0.000 0.901 975 L CB -0.002 41.812 42.059 -0.409 0.000 1.098 975 L HN 0.022 nan 8.230 nan 0.000 0.456 976 L N 0.840 121.993 121.223 -0.116 0.000 2.375 976 L HA 0.317 4.656 4.340 -0.000 0.000 0.271 976 L C 0.187 177.109 176.870 0.087 0.000 1.107 976 L CA -0.423 54.362 54.840 -0.090 0.000 0.806 976 L CB 0.747 42.594 42.059 -0.354 0.000 1.146 976 L HN 0.148 nan 8.230 nan 0.000 0.447 977 H N 1.360 120.512 119.070 0.137 0.000 2.600 977 H HA 0.654 5.210 4.556 -0.000 0.000 0.357 977 H C -0.763 174.628 175.328 0.105 0.000 1.106 977 H CA -1.179 54.934 56.048 0.108 0.000 1.193 977 H CB 1.377 31.152 29.762 0.022 0.000 1.594 977 H HN 0.713 nan 8.280 nan 0.000 0.526 978 A N 3.466 126.277 122.820 -0.015 0.000 2.531 978 A HA 0.099 4.419 4.320 -0.000 0.000 0.236 978 A C 0.329 177.853 177.584 -0.100 0.000 1.062 978 A CA -0.146 51.703 52.037 -0.314 0.000 0.760 978 A CB 0.064 18.908 19.000 -0.260 0.000 0.995 978 A HN 0.859 nan 8.150 nan 0.000 0.501 979 E N 0.575 120.677 120.200 -0.162 0.000 2.292 979 E HA 0.150 4.499 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 -0.705 55.708 56.400 0.022 0.000 0.929 979 E CB 0.724 30.529 29.700 0.174 0.000 1.161 979 E HN 0.822 nan 8.360 nan 0.000 0.453 980 E N 0.332 120.521 120.200 -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 1.776 58.137 56.400 -0.066 0.000 0.818 980 E CB 0.002 29.665 29.700 -0.061 0.000 0.749 980 E HN 0.564 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 4.223 3.960 -0.000 0.000 0.187 981 G HA3 0.264 4.223 3.960 -0.000 0.000 0.187 981 G C -0.692 174.099 174.900 -0.182 0.000 1.262 981 G CA -0.129 44.862 45.100 -0.181 0.000 0.808 981 G HN 0.110 nan 8.290 nan 0.000 0.687 982 T N 0.485 114.928 114.554 -0.187 0.000 2.812 982 T HA 0.377 4.727 4.350 -0.000 0.000 0.282 982 T C -1.488 173.064 174.700 -0.248 0.000 0.990 982 T CA -0.109 61.912 62.100 -0.131 0.000 0.960 982 T CB 1.495 70.396 68.868 0.055 0.000 0.948 982 T HN 0.321 nan 8.240 nan 0.000 0.438 983 W N 3.225 124.441 121.300 -0.139 0.000 2.316 983 W HA 0.607 5.267 4.660 -0.000 0.000 0.311 983 W C -0.332 176.073 176.519 -0.190 0.000 1.217 983 W CA -0.730 56.529 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 0.355 nan 8.180 nan 0.000 0.528 984 L N 5.623 126.907 121.223 0.103 0.000 2.381 984 L HA 0.500 4.840 4.340 -0.000 0.000 0.274 984 L C -1.159 175.642 176.870 -0.115 0.000 0.988 984 L CA -0.571 54.199 54.840 -0.117 0.000 0.824 984 L CB 1.064 42.920 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 -1.188 174.204 175.510 -0.197 0.000 0.995 985 N CA -0.283 52.671 53.050 -0.160 0.000 0.903 985 N CB 2.366 40.777 38.487 -0.126 0.000 1.218 985 N HN 0.541 nan 8.380 nan 0.000 0.487 986 I N 1.754 122.159 120.570 -0.275 0.000 2.382 986 I HA 0.235 4.405 4.170 -0.000 0.000 0.285 986 I C -0.641 175.312 176.117 -0.274 0.000 1.007 986 I CA -0.624 60.484 61.300 -0.320 0.000 1.142 986 I CB 1.471 39.133 38.000 -0.563 0.000 1.289 986 I HN 0.156 nan 8.210 nan 0.000 0.453 987 D N 4.528 124.803 120.400 -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 -0.296 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 1.117 109.374 108.800 -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 -1.803 117.954 119.950 -0.323 0.000 2.641 989 F HA 0.530 5.056 4.527 -0.000 0.000 0.308 989 F C -0.729 174.986 175.800 -0.142 0.000 1.105 989 F CA -1.230 56.665 58.000 -0.174 0.000 0.964 989 F CB 1.938 40.790 39.000 -0.246 0.000 1.294 989 F HN -0.076 nan 8.300 nan 0.000 0.442 990 H N 2.731 121.833 119.070 0.053 0.000 2.947 990 H HA 0.407 4.963 4.556 -0.000 0.000 0.354 990 H C -1.071 174.289 175.328 0.053 0.000 1.085 990 H CA -0.755 55.289 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 0.197 0.000 1.087 991 M CA 0.551 55.876 55.300 0.042 0.000 1.176 991 M CB 0.402 32.925 32.600 -0.128 0.000 1.439 991 M HN 0.684 nan 8.290 nan 0.000 0.452 992 G N 2.277 111.169 108.800 0.153 0.000 2.653 992 G HA2 0.359 4.318 3.960 -0.000 0.000 0.265 992 G HA3 0.359 4.318 3.960 -0.000 0.000 0.265 992 G C 0.521 175.398 174.900 -0.038 0.000 1.237 992 G CA -0.289 44.830 45.100 0.032 0.000 0.946 992 G HN 1.006 nan 8.290 nan 0.000 0.522 993 I N -2.588 117.906 120.570 -0.127 0.000 3.939 993 I HA 0.442 4.612 4.170 -0.000 0.000 0.313 993 I C 1.135 177.179 176.117 -0.121 0.000 1.274 993 I CA 0.520 61.717 61.300 -0.172 0.000 1.301 993 I CB -0.339 37.467 38.000 -0.323 0.000 1.105 993 I HN 0.956 nan 8.210 nan 0.000 0.427 994 G N 1.624 110.371 108.800 -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 0.141 45.229 45.100 -0.020 0.000 0.890 994 G HN 1.378 nan 8.290 nan 0.000 0.572 995 G N -2.402 106.407 108.800 0.014 0.000 2.559 995 G HA2 0.025 3.985 3.960 -0.000 0.000 0.202 995 G HA3 0.025 3.985 3.960 -0.000 0.000 0.202 995 G C 0.666 175.615 174.900 0.082 0.000 0.992 995 G CA 0.914 46.032 45.100 0.031 0.000 0.764 995 G HN 0.978 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 0.070 4.710 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 2.176 56.290 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 -0.795 174.998 176.300 -0.844 0.000 1.252 997 D CA -0.723 52.688 54.000 -0.982 0.000 0.777 997 D CB 0.810 40.535 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 -0.484 174.197 174.600 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 1.234 122.476 121.300 -0.096 0.000 2.252 999 W HA 0.578 5.238 4.660 -0.000 0.000 0.338 999 W C -0.042 176.431 176.519 -0.077 0.000 0.914 999 W CA -0.641 56.656 57.345 -0.080 0.000 1.754 999 W CB -0.551 28.799 29.460 -0.183 0.000 1.135 999 W HN 0.154 nan 8.180 nan 0.000 0.531 1000 S N -1.273 114.313 115.700 -0.190 0.000 2.588 1000 S HA 0.629 5.098 4.470 -0.000 0.000 0.269 1000 S C -3.213 171.319 174.600 -0.112 0.000 1.157 1000 S CA -1.559 56.563 58.200 -0.130 0.000 0.824 1000 S CB 1.639 64.763 63.200 -0.126 0.000 1.126 1000 S HN -0.207 nan 8.310 nan 0.000 0.464 1001 P HA 0.285 nan 4.420 nan 0.000 0.271 1001 P C 0.289 177.620 177.300 0.052 0.000 1.233 1001 P CA -0.218 62.894 63.100 0.021 0.000 0.764 1001 P CB 0.804 32.438 31.700 -0.109 0.000 0.825 1002 S N 0.776 116.534 115.700 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 4.305 124.337 119.914 0.197 0.000 2.455 1003 V HA 0.396 4.516 4.120 -0.000 0.000 0.273 1003 V C 0.771 177.022 176.094 0.262 0.000 1.045 1003 V CA -0.395 62.021 62.300 0.194 0.000 0.976 1003 V CB 0.693 32.591 31.823 0.126 0.000 0.993 1003 V HN 0.648 nan 8.190 nan 0.000 0.475 1004 S N 4.452 120.339 115.700 0.313 0.000 2.585 1004 S HA 0.414 4.884 4.470 -0.000 0.000 0.273 1004 S C 1.472 176.222 174.600 0.250 0.000 1.339 1004 S CA -0.068 58.301 58.200 0.281 0.000 1.028 1004 S CB 1.449 64.782 63.200 0.222 0.000 0.906 1004 S HN 1.059 nan 8.310 nan 0.000 0.528 1005 A N 2.039 124.949 122.820 0.150 0.000 1.915 1005 A HA -0.235 4.085 4.320 -0.000 0.000 0.220 1005 A C 1.896 179.475 177.584 -0.009 0.000 1.198 1005 A CA 2.218 54.317 52.037 0.103 0.000 0.647 1005 A CB -1.357 17.682 19.000 0.065 0.000 0.825 1005 A HN 0.965 nan 8.150 nan 0.000 0.456 1006 E N -0.905 119.195 120.200 -0.167 0.000 2.331 1006 E HA -0.137 4.213 4.350 -0.000 0.000 0.199 1006 E C 0.840 177.055 176.600 -0.642 0.000 1.008 1006 E CA 1.180 57.309 56.400 -0.453 0.000 0.843 1006 E CB -0.405 28.831 29.700 -0.774 0.000 0.761 1006 E HN 0.790 nan 8.360 nan 0.000 0.507 1007 F N 0.693 120.692 119.950 0.081 0.000 2.639 1007 F HA 0.218 4.745 4.527 -0.000 0.000 0.302 1007 F C 0.483 176.321 175.800 0.064 0.000 1.097 1007 F CA -0.409 57.639 58.000 0.079 0.000 1.294 1007 F CB 0.242 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 1.156 121.060 119.800 0.173 0.000 2.222 1008 Q HA 0.421 4.761 4.340 -0.000 0.000 0.252 1008 Q C -0.210 175.818 176.000 0.047 0.000 0.926 1008 Q CA -0.598 55.296 55.803 0.151 0.000 0.899 1008 Q CB 2.027 30.947 28.738 0.303 0.000 1.250 1008 Q HN 0.264 nan 8.270 nan 0.000 0.441 1009 L N 2.408 123.638 121.223 0.013 0.000 2.384 1009 L HA 0.090 4.430 4.340 -0.000 0.000 0.258 1009 L C 0.691 177.460 176.870 -0.168 0.000 1.266 1009 L CA -0.050 54.761 54.840 -0.049 0.000 1.162 1009 L CB -0.392 41.534 42.059 -0.222 0.000 1.375 1009 L HN 0.716 nan 8.230 nan 0.000 0.420 1010 S N -1.083 114.459 115.700 -0.263 0.000 2.539 1010 S HA 0.138 4.608 4.470 -0.000 0.000 0.221 1010 S C 1.726 176.228 174.600 -0.162 0.000 0.987 1010 S CA 0.183 58.050 58.200 -0.554 0.000 0.929 1010 S CB 0.697 63.596 63.200 -0.501 0.000 0.832 1010 S HN 0.516 nan 8.310 nan 0.000 0.492 1011 A N 1.694 124.472 122.820 -0.071 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 1.472 53.335 52.037 -0.289 0.000 0.644 1011 A CB -1.337 17.192 19.000 -0.785 0.000 0.805 1011 A HN 1.508 nan 8.150 nan 0.000 0.449 1012 G N -1.599 107.183 108.800 -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 0.019 0.000 1.103 1012 G CA 0.445 45.567 45.100 0.038 0.000 0.647 1012 G HN 0.730 nan 8.290 nan 0.000 0.512 1013 R N -0.599 119.761 120.500 -0.234 0.000 2.575 1013 R HA 0.683 5.023 4.340 -0.000 0.000 0.293 1013 R C -1.570 174.475 176.300 -0.425 0.000 0.983 1013 R CA -0.650 55.368 56.100 -0.137 0.000 0.887 1013 R CB 1.604 31.864 30.300 -0.068 0.000 1.184 1013 R HN 0.229 nan 8.270 nan 0.000 0.445 1014 Y N 0.155 120.467 120.300 0.019 0.000 2.512 1014 Y HA 0.389 4.939 4.550 -0.000 0.000 0.348 1014 Y C -0.401 175.698 175.900 0.331 0.000 0.990 1014 Y CA -0.915 57.204 58.100 0.031 0.000 1.033 1014 Y CB 2.150 40.464 38.460 -0.244 0.000 1.259 1014 Y HN 0.592 nan 8.280 nan 0.000 0.461 1015 H N 2.269 121.660 119.070 0.536 0.000 2.717 1015 H HA 0.662 5.218 4.556 -0.000 0.000 0.366 1015 H C -1.749 173.952 175.328 0.623 0.000 1.132 1015 H CA -0.999 55.323 56.048 0.457 0.000 1.180 1015 H CB 1.409 31.324 29.762 0.256 0.000 1.678 1015 H HN 0.596 nan 8.280 nan 0.000 0.537 1016 Y N 1.088 121.094 120.300 -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 -0.342 0.000 1.155 1016 Y CA -1.064 56.861 58.100 -0.290 0.000 1.046 1016 Y CB 1.279 39.662 38.460 -0.128 0.000 1.316 1016 Y HN 0.657 nan 8.280 nan 0.000 0.457 1017 Q N 3.076 122.833 119.800 -0.071 0.000 2.421 1017 Q HA 0.798 5.138 4.340 -0.000 0.000 0.280 1017 Q C -1.812 174.241 176.000 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 0.758 nan 8.270 nan 0.000 0.419 1018 L N 0.799 122.060 121.223 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 1.657 121.705 119.914 0.224 0.000 2.531 1019 V HA 0.491 4.611 4.120 -0.000 0.000 0.301 1019 V C -1.028 175.246 176.094 0.300 0.000 1.034 1019 V CA -0.447 61.999 62.300 0.244 0.000 0.865 1019 V CB 2.105 34.046 31.823 0.196 0.000 0.995 1019 V HN 0.643 nan 8.190 nan 0.000 0.424 1023 K N 0.000 120.329 120.400 -0.118 0.000 2.780 1023 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1023 K CA 0.000 56.241 56.287 -0.077 0.000 0.838 1023 K CB 0.000 32.464 32.500 -0.060 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543